A0A077ZM94_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZM94, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	24	Very low	228 Å²	228	117.9 Å²	117.9	100%	1.123	72%	0.715	S	S	*	*				0	95.3	0	-89.5	-162	-42.1	0	0	105.6	E463	M1-E463 PolarHBondContact N-OE1 3.5Å
2	A	22	Very low	24.1	Very low	63 Å²	63	126.3 Å²	126.3	52%	0.521	72%	0.724	S	S	.	*			trans	-143.5	97.3	153	0	0	0	0	0	104.5	E463	A2-E463 HydrophobicContact CB-CG 4.16Å; A2-E463 VanDerWaalsContact CB-OE1 3.25Å; A2-E463 WeakPolarHBondContact CB-OE1 3.29Å; A2-E463 PolarHBondContact N-OE1 3.19Å; A2-E463 VanDerWaalsContact N-OE1 3.12Å
3	S	21.3	Very low	24.1	Very low	103 Å²	103	124.8 Å²	124.8	72%	0.72	72%	0.718	S	S	*	*				54.2	80.7	91.3	-173.6	0	0	0	0	110.6	S5	S3-S5 PolarHBondContact O-N 2.61Å
4	L	23.4	Very low	24.1	Very low	146 Å²	146	125 Å²	125	76%	0.764	72%	0.715	S	S	*	*			trans	-65.6	89.2	161.8	-90.8	151.1	0	0	0	107.5	V6	L4-V6 PolarHBondContact O-N 3.3Å
5	S	22.3	Very low	24.1	Very low	88 Å²	88	123.9 Å²	123.9	62%	0.615	70%	0.699	S	S	*	*			trans	-72.9	110.5	168.4	-61.7	0	0	0	0	107.6	S3 I7	S3-S5 PolarHBondContact O-N 2.61Å; S5-I7 PolarHBondContact O-N 3.35Å; S5-I7 VanDerWaalsContact O-N 3.17Å
6	V	24.8	Very low	24.1	Very low	123 Å²	123	120.5 Å²	120.5	75%	0.745	68%	0.681	S	S	*	*			trans	-65.6	107	163.2	171.9	0	0	0	0	106.3	L4 P8	L4-V6 PolarHBondContact O-N 3.3Å; V6-P8 WeakPolarHBondContact O-CD 3.49Å
7	I	24.8	Very low	24.2	Very low	146 Å²	146	119.8 Å²	119.8	75%	0.749	68%	0.675	S	S	*	*			trans	-94.9	111	167.1	-57.7	178.6	0	0	0	106.2	S5 G9	S5-I7 PolarHBondContact O-N 3.35Å; S5-I7 VanDerWaalsContact O-N 3.17Å; I7-G9 PolarHBondContact O-N 3.17Å
8	P	24.8	Very low	24.2	Very low	121 Å²	121	117.6 Å²	117.6	79%	0.786	66%	0.664	S	S	*	*			trans	-75.9	112.9	174.6	6.7	9	0	0	0	108.7	V6	V6-P8 WeakPolarHBondContact O-CD 3.49Å
9	G	25.4	Very low	24.2	Very low	57 Å²	57	116.5 Å²	116.5	59%	0.588	66%	0.656	S	S	*	*			trans	177.2	151.7	179.1	0	0	0	0	0	110.5	I7	I7-G9 PolarHBondContact O-N 3.17Å
10	P	23.2	Very low	24.3	Very low	117 Å²	117	115.2 Å²	115.2	76%	0.76	66%	0.661	S	S	*	*	S	Bend	trans	-72.5	140.7	-145.2	28.8	-33.6	0	0	0	113.9
11	E	25.7	Very low	24.3	Very low	105 Å²	105	114.2 Å²	114.2	49%	0.491	66%	0.657	S	S	.	*	S	Bend	trans	87.1	-2.4	148.8	-66.4	170.1	-174.4	0	0	122.5	A108	E11-A108 HydrophobicContact CB-CB 4.05Å; E11-A108 VanDerWaalsContact CD-CB 3.44Å; E11-A108 HydrophobicContact CG-CB 3.75Å; E11-A108 WeakPolarHBondContact OE2-CB 2.99Å
12	R	24.9	Very low	24.2	Very low	218 Å²	218	109.9 Å²	109.9	82%	0.823	64%	0.643	S	S	*	*			trans	-141.3	113.7	-173.7	-58.8	-175.7	-174.5	-179	1.3	115.6
13	V	24.2	Very low	24.3	Very low	107 Å²	107	111.6 Å²	111.6	65%	0.648	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-88.8	122	166.8	178.5	0	0	0	0	108.9	F15	V13-F15 HydrophobicContact CG1-CD2 4.3Å; V13-F15 HydrophobicContact CG1-CE2 3.8Å; V13-F15 HydrophobicContact CG1-CZ 4.05Å
14	L	23.6	Very low	24.5	Very low	128 Å²	128	113.3 Å²	113.3	67%	0.67	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-102.5	121.2	-179.3	-137.3	114.6	0	0	0	110	V16	L14-V16 HydrophobicContact CD2-CG2 4.03Å
15	F	25.4	Very low	24.6	Very low	109 Å²	109	117.2 Å²	117.2	48%	0.478	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-98.2	116.5	173.9	-71.6	-82.9	0	0	0	110.5	V13 V72 W76	V13-F15 HydrophobicContact CG1-CD2 4.3Å; V13-F15 HydrophobicContact CG1-CE2 3.8Å; V13-F15 HydrophobicContact CG1-CZ 4.05Å; F15-V72 HydrophobicContact CZ-CG1 4.46Å; F15-W76 AromaticContact CD1-CD1 3.72Å; F15-W76 AromaticContact CD1-CD2 3.98Å; F15-W76 HydrophobicContact CD1-CD2 3.98Å; F15-W76 AromaticContact CD1-CE2 3.6Å; F15-W76 HydrophobicContact CD1-CG 4.03Å; F15-W76 HydrophobicContact CD1-CZ2 4.08Å; F15-W76 AromaticContact CD1-NE1 3.47Å; F15-W76 HydrophobicContact CE1-CB 4.22Å; F15-W76 AromaticContact CE1-CD1 3.75Å; F15-W76 AromaticContact CE1-CD2 3.92Å; F15-W76 HydrophobicContact CE1-CD2 3.92Å; F15-W76 AromaticContact CE1-CG 3.71Å; F15-W76 HydrophobicContact CE1-CG 3.71Å; F15-W76 AromaticContact CE1-NE1 3.97Å
16	V	24.1	Very low	24.9	Very low	69 Å²	69	119.6 Å²	119.6	42%	0.418	66%	0.663	S	S	.	*			trans	-113	128.2	174	165.6	0	0	0	0	108.1	L14 V18 F460	L14-V16 HydrophobicContact CD2-CG2 4.03Å; V16-V18 HydrophobicContact CG1-CG2 3.88Å; V16-F460 HydrophobicContact CB-CZ 4.21Å; V16-F460 HydrophobicContact CG1-CE1 3.9Å; V16-F460 HydrophobicContact CG1-CE2 4.34Å; V16-F460 HydrophobicContact CG1-CZ 3.33Å; V16-F460 HydrophobicContact CG2-CE2 4.2Å; V16-F460 HydrophobicContact CG2-CZ 3.81Å
17	L	24.5	Very low	24.9	Very low	109 Å²	109	124.9 Å²	124.9	57%	0.571	67%	0.669	S	S	*	*			trans	-117.9	115.3	173.3	-103.1	158.8	0	0	0	109.8	W76 A92	L17-W76 HydrophobicContact CD1-CH2 3.59Å; L17-W76 HydrophobicContact CD1-CZ2 3.46Å; L17-W76 VanDerWaalsContact CD1-CZ2 3.46Å; L17-W76 HydrophobicContact CD2-CZ2 4.45Å; L17-W76 HydrophobicContact CG-CH2 4.36Å; L17-W76 HydrophobicContact CG-CZ2 3.77Å; L17-A92 HydrophobicContact CD1-CB 4.44Å
18	V	24.9	Very low	25	Very low	79 Å²	79	126.6 Å²	126.6	48%	0.479	67%	0.672	S	S	.	*			trans	-116.2	128.6	176.2	179.5	0	0	0	0	108.7	V16 F460	V16-V18 HydrophobicContact CG1-CG2 3.88Å; V18-F460 HydrophobicContact CG2-CE1 4.12Å
19	D	24.3	Very low	25	Very low	97 Å²	97	129.2 Å²	129.2	52%	0.519	67%	0.666	S	S	.	*			trans	-71.9	122.3	175.9	-169.3	3.2	0	0	0	110.4	L476	D19-L476 HydrophobicContact CB-CD1 4.1Å
20	A	25.3	Very low	25	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	68%	0.681	S	S	*	*			trans	-137.4	124.9	177.9	0	0	0	0	0	111.5
21	T	24.5	Very low	25.1	Very low	95 Å²	95	136.3 Å²	136.3	58%	0.583	67%	0.672	S	S	*	*			trans	-95.6	141.3	-169.5	34.3	0	0	0	0	114.1
22	T	23.9	Very low	25.1	Very low	137 Å²	137	134.2 Å²	134.2	84%	0.84	68%	0.678	S	S	*	*			trans	68.2	117.7	153.1	58.7	0	0	0	0	122.5
23	S	25.3	Very low	25.1	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	66%	0.661	S	S	*	*				178	129.5	100.4	89.5	0	0	0	0	113.3
24	D	24.6	Very low	25.1	Very low	139 Å²	139	125.9 Å²	125.9	74%	0.743	66%	0.663	S	S	*	*			trans	53.1	127.7	148.9	-105.8	-7.9	0	0	0	124.8
25	R	26.1	Very low	25.3	Very low	228 Å²	228	127.6 Å²	127.6	86%	0.86	67%	0.667	S	S	*	*			trans	126.5	6.8	145.2	-64.8	-172.8	-177.6	-170.2	1.3	123.5
26	L	29.4	Very low	25.3	Very low	138 Å²	138	127.4 Å²	127.4	72%	0.723	67%	0.671	S	S	*	*			trans	-134.1	108	175.3	-73.7	165.5	0	0	0	113.7
27	R	24.2	Very low	25.7	Very low	233 Å²	233	126 Å²	126	88%	0.879	67%	0.67	S	S	*	*			trans	-87.2	0.2	-168.6	-82.7	-174.5	179.4	-179.7	0.2	117.4
28	F	26.3	Very low	26.3	Very low	183 Å²	183	124.9 Å²	124.9	80%	0.803	67%	0.668	S	S	*	*			trans	-146.3	103.9	-172.4	-61.1	-79.8	0	0	0	113.7
29	W	25.9	Very low	27.1	Very low	175 Å²	175	124.7 Å²	124.7	66%	0.663	66%	0.662	S	S	*	*			trans	-147	128.9	161.9	-136.7	63.5	0	0	0	110	H39 P41	W29-H39 WeakPolarHBondContact CH2-O 3.22Å; W29-P41 HydrophobicContact CH2-CG 4.43Å; W29-P41 HydrophobicContact CZ2-CG 4.09Å
30	W	24.4	Very low	27.9	Very low	239 Å²	239	120.7 Å²	120.7	91%	0.905	64%	0.641	S	S	*	*			trans	-115.3	134	178.3	-80.5	18.2	0	0	0	109.3	G32	W30-G32 PolarHBondContact O-N 2.66Å
31	C	25.8	Very low	28.8	Very low	85 Å²	85	117.6 Å²	117.6	57%	0.574	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-64.4	129.9	168.7	-78.1	0	0	0	0	109.4
32	G	25.4	Very low	29.6	Very low	60 Å²	60	113.5 Å²	113.5	62%	0.619	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-56.3	144.8	176.7	0	0	0	0	0	112.2	W30	W30-G32 PolarHBondContact O-N 2.66Å
33	S	25	Very low	30.6	Very low	65 Å²	65	111.2 Å²	111.2	46%	0.455	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-59	154.6	173.1	57.5	0	0	0	0	111.5	H35 L36	S33-H35 PolarHBondContact O-N 3.2Å; S33-L36 PolarHBondContact O-N 3.48Å
34	A	25.3	Very low	31.4	Very low	85 Å²	85	109.8 Å²	109.8	70%	0.702	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-6.6	177.8	0	0	0	0	0	116.7
35	H	26.1	Very low	32.2	Very low	164 Å²	164	109.2 Å²	109.2	76%	0.759	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.9	175.6	-54	-53.2	0	0	0	114.2	S33	S33-H35 PolarHBondContact O-N 3.2Å
36	L	25.2	Very low	32.7	Very low	105 Å²	105	104.7 Å²	104.7	55%	0.55	55%	0.548	S	S	.	.	S	Bend	trans	-134.3	113.1	-174	-67.8	160.6	0	0	0	106.7	S33	S33-L36 PolarHBondContact O-N 3.48Å
37	G	32.7	Very low	33.2	Very low	39 Å²	39	101.5 Å²	101.5	40%	0.402	55%	0.548	S	S	.	.			trans	-47.8	160.5	-179.8	0	0	0	0	0	113	H39	G37-H39 PolarHBondContact O-CD2 3.33Å; G37-H39 PolarHBondContact O-N 3.32Å
38	V	37.5	Very low	34.4	Very low	87 Å²	87	92.1 Å²	92.1	53%	0.527	52%	0.518	S	S	.	.			trans	-57.7	102.6	-177.8	-178.5	0	0	0	0	109.2	V40 L55	V38-V40 HydrophobicContact CG1-CG1 4.3Å; V38-L55 HydrophobicContact CB-CB 4.06Å; V38-L55 HydrophobicContact CB-CD2 4.32Å; V38-L55 HydrophobicContact CG1-CB 4.31Å; V38-L55 HydrophobicContact CG1-CD2 4.41Å; V38-L55 WeakPolarHBondContact O-CB 3.3Å; V38-L55 PolarHBondContact O-N 3.49Å
39	H	42.3	Very low	35.4	Very low	74 Å²	74	94.6 Å²	94.6	34%	0.343	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.9	174.6	-79.6	-89.4	0	0	0	109.1	W29 G37 S52 T53	W29-H39 WeakPolarHBondContact CH2-O 3.22Å; G37-H39 PolarHBondContact O-CD2 3.33Å; G37-H39 PolarHBondContact O-N 3.32Å; H39-S52 WeakPolarHBondContact CB-OG 3.44Å; H39-S52 PolarHBondContact ND1-OG 3.29Å; H39-T53 CarbonylContact C-O 3.55Å; H39-T53 WeakPolarHBondContact CA-O 3.37Å
40	V	41.9	Very low	36.4	Very low	13 Å²	13	89 Å²	89	8%	0.079	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.6	173.5	-65.5	0	0	0	0	109.9	V38 V42 T53 L55 L58 L79	V38-V40 HydrophobicContact CG1-CG1 4.3Å; V40-V42 HydrophobicContact CG2-CG2 4.43Å; V40-V42 PolarHBondContact O-N 2.99Å; V40-T53 PolarHBondContact N-O 3.23Å; V40-T53 PolarHBondContact O-N 3.35Å; V40-L55 HydrophobicContact CG1-CD1 3.88Å; V40-L55 HydrophobicContact CG2-CD1 4.24Å; V40-L58 HydrophobicContact CG2-CD1 3.25Å; V40-L79 HydrophobicContact CG1-CD1 4.39Å
41	P	42.3	Very low	37.7	Very low	25 Å²	25	83 Å²	83	16%	0.162	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.4	179.4	31.1	-33.4	0	0	0	111	W29 P50 E51	W29-P41 HydrophobicContact CH2-CG 4.43Å; W29-P41 HydrophobicContact CZ2-CG 4.09Å; P41-P50 HydrophobicContact CB-CB 4.01Å; P41-E51 CarbonylContact C-O 3.56Å; P41-E51 WeakPolarHBondContact CA-O 3.39Å
42	V	42.3	Very low	38.9	Very low	10 Å²	10	83 Å²	83	6%	0.061	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.1	-180	-177.5	0	0	0	0	109.9	V40 P50 E51 T53 L58	V40-V42 HydrophobicContact CG2-CG2 4.43Å; V40-V42 PolarHBondContact O-N 2.99Å; V42-P50 WeakPolarHBondContact O-CA 3.45Å; V42-E51 PolarHBondContact N-O 3.42Å; V42-E51 PolarHBondContact O-N 2.83Å; V42-T53 HydrophobicContact CG2-CG2 4.4Å; V42-T53 WeakPolarHBondContact CG2-OG1 3.31Å; V42-L58 HydrophobicContact CG2-CD1 3.8Å; V42-L58 HydrophobicContact CG2-CD2 4.17Å; V42-L58 HydrophobicContact CG2-CG 4.5Å
43	W	45.1	Very low	40.1	Very low	88 Å²	88	81 Å²	81	33%	0.333	47%	0.467	S	S	.	.			trans	-91.5	106.3	169.6	-69.7	83.1	0	0	0	108.2	L45 S48 P50 N78	W43-L45 VanDerWaalsContact C-N 3.32Å; W43-S48 WeakPolarHBondContact CZ3-O 3.38Å; W43-P50 HydrophobicContact CD2-CB 4.44Å; W43-P50 HydrophobicContact CG-CB 4.49Å; W43-P50 HydrophobicContact CZ2-CB 4.49Å; W43-P50 HydrophobicContact CZ2-CG 4.14Å; W43-N78 PolarHBondContact N-ND2 3.39Å
44	N	42.3	Very low	41.2	Very low	70 Å²	70	79 Å²	79	37%	0.374	45%	0.454	S	S	.	.	S	Bend	trans	-74.8	-24.2	177.2	-68.7	-25.9	0	0	0	112.1	E51	N44-E51 PolarHBondContact ND2-OE1 2.87Å; N44-E51 PolarHBondContact ND2-OE2 3.18Å
45	L	40.7	Very low	42.2	Very low	127 Å²	127	77.2 Å²	77.2	67%	0.665	43%	0.432	S	S	*	.	S	Bend	trans	-142.3	145.6	179.6	-70.2	163.3	0	0	0	110.7	W43 G47 S48	W43-L45 VanDerWaalsContact C-N 3.32Å; L45-G47 PolarHBondContact O-N 3.24Å; L45-S48 PolarHBondContact N-OG 3.38Å; L45-S48 PolarHBondContact O-N 3.04Å; L45-S48 PolarHBondContact O-OG 2.94Å
46	S	37	Very low	42.9	Very low	134 Å²	134	74.2 Å²	74.2	94%	0.937	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	111.9	169.2	159.6	0	0	0	0	110.1
47	G	40.1	Very low	44	Very low	70 Å²	70	76 Å²	76	72%	0.722	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-2.9	177.7	0	0	0	0	0	116.8	L45	L45-G47 PolarHBondContact O-N 3.24Å
48	S	49.4	Very low	44.7	Very low	36 Å²	36	74.6 Å²	74.6	25%	0.252	40%	0.401	S	S	.	.	S	Bend	trans	-82.3	146.1	176.7	61.3	0	0	0	0	113	W43 L45	W43-S48 WeakPolarHBondContact CZ3-O 3.38Å; L45-S48 PolarHBondContact N-OG 3.38Å; L45-S48 PolarHBondContact O-N 3.04Å; L45-S48 PolarHBondContact O-OG 2.94Å
49	R	46.3	Very low	44.9	Very low	235 Å²	235	73.2 Å²	73.2	89%	0.887	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-51.4	134.6	170.7	-78.3	-175.5	177.3	-175.3	-0.3	110.8	E51	R49-E51 PolarHBondContact O-N 3.36Å
50	P	47.5	Very low	45	Very low	57 Å²	57	72 Å²	72	37%	0.37	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-64.2	135.9	-179.7	24	-31.5	0	0	0	110.6	P41 V42 W43	P41-P50 HydrophobicContact CB-CB 4.01Å; V42-P50 WeakPolarHBondContact O-CA 3.45Å; W43-P50 HydrophobicContact CD2-CB 4.44Å; W43-P50 HydrophobicContact CG-CB 4.49Å; W43-P50 HydrophobicContact CZ2-CB 4.49Å; W43-P50 HydrophobicContact CZ2-CG 4.14Å
51	E	51	Low	45.2	Very low	114 Å²	114	73.8 Å²	73.8	53%	0.533	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.6	171.3	-75	-179.5	-169.8	0	0	109.9	P41 V42 N44 R49 T53	P41-E51 CarbonylContact C-O 3.56Å; P41-E51 WeakPolarHBondContact CA-O 3.39Å; V42-E51 PolarHBondContact N-O 3.42Å; V42-E51 PolarHBondContact O-N 2.83Å; N44-E51 PolarHBondContact ND2-OE1 2.87Å; N44-E51 PolarHBondContact ND2-OE2 3.18Å; R49-E51 PolarHBondContact O-N 3.36Å; E51-T53 PolarHBondContact O-N 3.4Å
52	S	52.2	Low	45.2	Very low	85 Å²	85	77.7 Å²	77.7	59%	0.594	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	113	173.1	-175.2	0	0	0	0	109.1	H39	H39-S52 WeakPolarHBondContact CB-OG 3.44Å; H39-S52 PolarHBondContact ND1-OG 3.29Å
53	T	50.5	Low	44.8	Very low	17 Å²	17	79.5 Å²	79.5	10%	0.104	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.3	-178	-49.8	0	0	0	0	110.2	H39 V40 V42 E51 L55 R57 L58	H39-T53 CarbonylContact C-O 3.55Å; H39-T53 WeakPolarHBondContact CA-O 3.37Å; V40-T53 PolarHBondContact N-O 3.23Å; V40-T53 PolarHBondContact O-N 3.35Å; V42-T53 HydrophobicContact CG2-CG2 4.4Å; V42-T53 WeakPolarHBondContact CG2-OG1 3.31Å; E51-T53 PolarHBondContact O-N 3.4Å; T53-L55 PolarHBondContact O-N 3.43Å; T53-R57 HydrophobicContact CG2-CB 4.42Å; T53-R57 HydrophobicContact CG2-CG 4.46Å; T53-L58 HydrophobicContact CG2-CD1 4.23Å; T53-L58 HydrophobicContact CG2-CD2 4.17Å; T53-L58 HydrophobicContact CG2-CG 3.85Å
54	S	47.9	Very low	44.4	Very low	25 Å²	25	78.8 Å²	78.8	18%	0.175	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	130.9	172.7	173.6	0	0	0	0	110.1	E56 R57 L58	S54-E56 PolarHBondContact O-N 3.12Å; S54-E56 WeakPolarHBondContact OG-CB 3.46Å; S54-E56 PolarHBondContact OG-N 3.47Å; S54-R57 WeakPolarHBondContact O-CA 3.4Å; S54-R57 WeakPolarHBondContact O-CB 3.49Å; S54-R57 PolarHBondContact O-N 3.19Å; S54-L58 PolarHBondContact O-N 3.32Å; S54-L58 VanDerWaalsContact O-N 3.09Å
55	L	45.1	Very low	43.9	Very low	47 Å²	47	78.8 Å²	78.8	25%	0.246	43%	0.429	C	S	.	.	H	α-helix	trans	-56.5	-36.6	173.3	-172.3	84	0	0	0	110.7	V38 V40 T53 R57 L58 F59 M95	V38-L55 HydrophobicContact CB-CB 4.06Å; V38-L55 HydrophobicContact CB-CD2 4.32Å; V38-L55 HydrophobicContact CG1-CB 4.31Å; V38-L55 HydrophobicContact CG1-CD2 4.41Å; V38-L55 WeakPolarHBondContact O-CB 3.3Å; V38-L55 PolarHBondContact O-N 3.49Å; V40-L55 HydrophobicContact CG1-CD1 3.88Å; V40-L55 HydrophobicContact CG2-CD1 4.24Å; T53-L55 PolarHBondContact O-N 3.43Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-L58 PolarHBondContact O-N 2.98Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 2.75Å; L55-M95 HydrophobicContact CD1-CE 3.95Å; L55-M95 HydrophobicContact CD1-SD 4.18Å; L55-M95 HydrophobicContact CD2-CE 3.45Å; L55-M95 VanDerWaalsContact CD2-CE 3.45Å; L55-M95 HydrophobicContact CD2-SD 3.85Å; L55-M95 HydrophobicContact CG-CE 4.36Å
56	E	41.8	Very low	43.8	Very low	100 Å²	100	74.7 Å²	74.7	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-42.8	175.4	-170.8	170.7	-160	0	0	110.9	S54 L58 F59 W60	S54-E56 PolarHBondContact O-N 3.12Å; S54-E56 WeakPolarHBondContact OG-CB 3.46Å; S54-E56 PolarHBondContact OG-N 3.47Å; E56-L58 PolarHBondContact O-N 3.41Å; E56-F59 PolarHBondContact O-N 2.61Å; E56-W60 VanDerWaalsContact CG-NE1 3.33Å; E56-W60 PolarHBondContact O-N 2.78Å
57	R	48.8	Very low	43.7	Very low	143 Å²	143	71.6 Å²	71.6	54%	0.54	40%	0.396	S	S	.	.	H	α-helix	trans	-61.4	-43.3	173.8	-179.9	178.2	175.5	175.1	3.1	111.9	T53 S54 L55 W60 D61	T53-R57 HydrophobicContact CG2-CB 4.42Å; T53-R57 HydrophobicContact CG2-CG 4.46Å; S54-R57 WeakPolarHBondContact O-CA 3.4Å; S54-R57 WeakPolarHBondContact O-CB 3.49Å; S54-R57 PolarHBondContact O-N 3.19Å; L55-R57 VanDerWaalsContact C-N 3.33Å; R57-W60 PolarHBondContact O-N 3.2Å; R57-D61 IonicContact NE-OD2 3.44Å; R57-D61 WeakPolarHBondContact O-CB 3.46Å; R57-D61 VanDerWaalsContact O-CG 3.26Å; R57-D61 PolarHBondContact O-N 2.67Å
58	L	46.3	Very low	43.3	Very low	9 Å²	9	72 Å²	72	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-64.6	-42.3	178	-71.3	163.5	0	0	0	112.1	V40 V42 T53 S54 L55 E56 W60 D61 W62 V72 A75	V40-L58 HydrophobicContact CG2-CD1 3.25Å; V42-L58 HydrophobicContact CG2-CD1 3.8Å; V42-L58 HydrophobicContact CG2-CD2 4.17Å; V42-L58 HydrophobicContact CG2-CG 4.5Å; T53-L58 HydrophobicContact CG2-CD1 4.23Å; T53-L58 HydrophobicContact CG2-CD2 4.17Å; T53-L58 HydrophobicContact CG2-CG 3.85Å; S54-L58 PolarHBondContact O-N 3.32Å; S54-L58 VanDerWaalsContact O-N 3.09Å; L55-L58 PolarHBondContact O-N 2.98Å; E56-L58 PolarHBondContact O-N 3.41Å; L58-W60 VanDerWaalsContact C-N 3.35Å; L58-D61 PolarHBondContact O-N 2.66Å; L58-W62 WeakPolarHBondContact O-CB 3.48Å; L58-W62 PolarHBondContact O-N 2.85Å; L58-V72 HydrophobicContact CB-CG2 4.28Å; L58-V72 VanDerWaalsContact O-CG2 3.25Å; L58-V72 WeakPolarHBondContact O-CG2 3.41Å; L58-A75 HydrophobicContact CD1-CB 3.69Å; L58-A75 HydrophobicContact CD2-CB 4.18Å; L58-A75 HydrophobicContact CG-CB 4.42Å
59	F	42	Very low	42.6	Very low	58 Å²	58	76.5 Å²	76.5	25%	0.254	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-43.6	174.7	175.1	-102	0	0	0	112	L55 E56 W62 L63 F104	L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 2.75Å; E56-F59 PolarHBondContact O-N 2.61Å; F59-W62 PolarHBondContact O-N 3.36Å; F59-L63 HydrophobicContact CD1-CD1 3.88Å; F59-L63 HydrophobicContact CE1-CD1 3.3Å; F59-L63 HydrophobicContact CE2-CD1 4.08Å; F59-L63 HydrophobicContact CG-CD1 4.48Å; F59-L63 HydrophobicContact CZ-CD1 3.42Å; F59-L63 VanDerWaalsContact CZ-CD1 3.42Å; F59-L63 HydrophobicContact CZ-CG 4.49Å; F59-L63 PolarHBondContact O-N 2.9Å; F59-F104 HydrophobicContact CE2-CZ 4.29Å; F59-F104 HydrophobicContact CZ-CE1 4.47Å; F59-F104 AromaticContact CZ-CZ 3.89Å; F59-F104 HydrophobicContact CZ-CZ 3.89Å
60	W	44.4	Very low	42.1	Very low	50 Å²	50	72 Å²	72	19%	0.189	40%	0.397	C	S	.	.	H	α-helix	trans	-71.6	-37.1	176.8	-68.3	123.6	0	0	0	113.4	E56 R57 L58 W62 L63 N64 R315 I316	E56-W60 VanDerWaalsContact CG-NE1 3.33Å; E56-W60 PolarHBondContact O-N 2.78Å; R57-W60 PolarHBondContact O-N 3.2Å; L58-W60 VanDerWaalsContact C-N 3.35Å; W60-W62 VanDerWaalsContact C-N 3.28Å; W60-W62 PolarHBondContact O-N 3Å; W60-L63 HydrophobicContact CE3-CB 4.42Å; W60-L63 HydrophobicContact CE3-CD1 3.74Å; W60-L63 HydrophobicContact CZ3-CD1 3.65Å; W60-L63 PolarHBondContact O-N 2.8Å; W60-N64 WeakPolarHBondContact O-CB 3.45Å; W60-N64 VanDerWaalsContact O-CG 3.26Å; W60-N64 PolarHBondContact O-N 3.31Å; W60-N64 PolarHBondContact O-ND2 3.46Å; W60-R315 VanDerWaalsContact CE3-NH2 3.29Å; W60-I316 HydrophobicContact CH2-CD1 3.29Å; W60-I316 HydrophobicContact CH2-CG1 4.09Å; W60-I316 HydrophobicContact CZ3-CD1 3.52Å; W60-I316 HydrophobicContact CZ3-CG1 3.77Å
61	D	46.1	Very low	41.6	Very low	49 Å²	49	72 Å²	72	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-37.6	175.4	-76.6	-14.3	0	0	0	110.6	R57 L58 G66	R57-D61 IonicContact NE-OD2 3.44Å; R57-D61 WeakPolarHBondContact O-CB 3.46Å; R57-D61 VanDerWaalsContact O-CG 3.26Å; R57-D61 PolarHBondContact O-N 2.67Å; L58-D61 PolarHBondContact O-N 2.66Å; D61-G66 WeakPolarHBondContact O-CA 2.94Å; D61-G66 PolarHBondContact O-N 2.8Å
62	W	41.8	Very low	40.8	Very low	107 Å²	107	68.1 Å²	68.1	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-47.6	172.4	175.4	75.2	0	0	0	112.9	L58 F59 W60 N64 G65 V72	L58-W62 WeakPolarHBondContact O-CB 3.48Å; L58-W62 PolarHBondContact O-N 2.85Å; F59-W62 PolarHBondContact O-N 3.36Å; W60-W62 VanDerWaalsContact C-N 3.28Å; W60-W62 PolarHBondContact O-N 3Å; W62-N64 VanDerWaalsContact C-N 3.26Å; W62-N64 PolarHBondContact O-N 3.45Å; W62-G65 PolarHBondContact O-N 2.8Å; W62-V72 HydrophobicContact CB-CB 4.07Å; W62-V72 HydrophobicContact CB-CG2 3.53Å; W62-V72 HydrophobicContact CG-CB 4.09Å; W62-V72 HydrophobicContact CG-CG2 4Å
63	L	35.2	Very low	39.9	Very low	49 Å²	49	65.4 Å²	65.4	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-30.1	177.3	-90.7	163.7	0	0	0	113.6	F59 W60 G65	F59-L63 HydrophobicContact CD1-CD1 3.88Å; F59-L63 HydrophobicContact CE1-CD1 3.3Å; F59-L63 HydrophobicContact CE2-CD1 4.08Å; F59-L63 HydrophobicContact CG-CD1 4.48Å; F59-L63 HydrophobicContact CZ-CD1 3.42Å; F59-L63 VanDerWaalsContact CZ-CD1 3.42Å; F59-L63 HydrophobicContact CZ-CG 4.49Å; F59-L63 PolarHBondContact O-N 2.9Å; W60-L63 HydrophobicContact CE3-CB 4.42Å; W60-L63 HydrophobicContact CE3-CD1 3.74Å; W60-L63 HydrophobicContact CZ3-CD1 3.65Å; W60-L63 PolarHBondContact O-N 2.8Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.37Å
64	N	36.9	Very low	39.3	Very low	72 Å²	72	67 Å²	67	39%	0.385	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	13.6	-176.6	-70.6	-41.3	0	0	0	114.1	W60 W62 G66 Q319	W60-N64 WeakPolarHBondContact O-CB 3.45Å; W60-N64 VanDerWaalsContact O-CG 3.26Å; W60-N64 PolarHBondContact O-N 3.31Å; W60-N64 PolarHBondContact O-ND2 3.46Å; W62-N64 VanDerWaalsContact C-N 3.26Å; W62-N64 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact O-N 2.91Å; N64-Q319 PolarHBondContact OD1-NE2 3.41Å
65	G	31.3	Very low	38.8	Very low	70 Å²	70	66.4 Å²	66.4	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	27.2	-177.8	0	0	0	0	0	112.6	W62 L63	W62-G65 PolarHBondContact O-N 2.8Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.37Å
66	G	38	Very low	38.4	Very low	41 Å²	41	66.8 Å²	66.8	42%	0.423	37%	0.365	S	S	.	.			trans	-55.4	142.2	175.3	0	0	0	0	0	110.4	D61 N64 A68	D61-G66 WeakPolarHBondContact O-CA 2.94Å; D61-G66 PolarHBondContact O-N 2.8Å; N64-G66 PolarHBondContact O-N 2.91Å; G66-A68 PolarHBondContact O-N 3.26Å
67	S	35.6	Very low	38.1	Very low	69 Å²	69	67.6 Å²	67.6	48%	0.483	37%	0.367	S	S	.	.			trans	-40.6	133.1	-174.1	62.2	0	0	0	0	111.6	D69 R70	S67-D69 PolarHBondContact O-N 2.81Å; S67-R70 PolarHBondContact O-N 2.91Å
68	A	31.1	Very low	37.6	Very low	79 Å²	79	62.2 Å²	62.2	65%	0.653	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-47.8	-10.5	179	0	0	0	0	0	115.4	G66	G66-A68 PolarHBondContact O-N 3.26Å
69	D	35.6	Very low	37.1	Very low	131 Å²	131	64.6 Å²	64.6	70%	0.701	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-83.7	-5.9	175.4	-55.2	-35.6	0	0	0	114.9	S67 I74	S67-D69 PolarHBondContact O-N 2.81Å; D69-I74 VanDerWaalsContact C-CD1 3.41Å; D69-I74 WeakPolarHBondContact O-CD1 3.35Å
70	R	35	Very low	36.6	Very low	141 Å²	141	65.3 Å²	65.3	53%	0.532	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-127.7	27.1	-179.5	-66.8	-170.5	178.1	-178.1	0.2	114	S67	S67-R70 PolarHBondContact O-N 2.91Å
71	D	37.2	Very low	36	Very low	57 Å²	57	66.9 Å²	66.9	31%	0.305	40%	0.402	S	S	.	.			trans	-64.4	146.5	-168.9	-157.2	-20.7	0	0	0	112.4	G73 I74 A75	D71-G73 PolarHBondContact O-N 2.97Å; D71-G73 VanDerWaalsContact O-N 3.15Å; D71-G73 PolarHBondContact OD1-N 3.23Å; D71-I74 HydrophobicContact CB-CG1 4.31Å; D71-I74 CarbonylContact O-C 3.6Å; D71-I74 WeakPolarHBondContact O-CA 3.35Å; D71-I74 WeakPolarHBondContact O-CB 3.35Å; D71-I74 PolarHBondContact O-N 3.44Å; D71-A75 PolarHBondContact O-N 2.82Å
72	V	33.3	Very low	35.2	Very low	31 Å²	31	68 Å²	68	19%	0.188	40%	0.402	C	S	.	.	H	α-helix	trans	-52.2	-29.5	158.6	164.6	0	0	0	0	109.1	F15 L58 W62 I74 A75 W76	F15-V72 HydrophobicContact CZ-CG1 4.46Å; L58-V72 HydrophobicContact CB-CG2 4.28Å; L58-V72 VanDerWaalsContact O-CG2 3.25Å; L58-V72 WeakPolarHBondContact O-CG2 3.41Å; W62-V72 HydrophobicContact CB-CB 4.07Å; W62-V72 HydrophobicContact CB-CG2 3.53Å; W62-V72 HydrophobicContact CG-CB 4.09Å; W62-V72 HydrophobicContact CG-CG2 4Å; V72-I74 PolarHBondContact O-N 3.46Å; V72-A75 PolarHBondContact O-N 3.14Å; V72-W76 WeakPolarHBondContact O-CA 3.27Å; V72-W76 WeakPolarHBondContact O-CB 3.11Å; V72-W76 PolarHBondContact O-N 2.89Å
73	G	34.1	Very low	34.7	Very low	28 Å²	28	67.8 Å²	67.8	29%	0.289	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-30.8	167.1	0	0	0	0	0	115.5	D71 K77	D71-G73 PolarHBondContact O-N 2.97Å; D71-G73 VanDerWaalsContact O-N 3.15Å; D71-G73 PolarHBondContact OD1-N 3.23Å; G73-K77 WeakPolarHBondContact O-CA 3.24Å; G73-K77 WeakPolarHBondContact O-CB 3.05Å; G73-K77 PolarHBondContact O-N 3.3Å
74	I	37.8	Very low	34.4	Very low	51 Å²	51	70.1 Å²	70.1	26%	0.262	43%	0.427	S	S	.	.	H	α-helix	trans	-84.1	-38.7	172.1	-70.1	169.1	0	0	0	111.2	D69 D71 V72 W76 K77 N78	D69-I74 VanDerWaalsContact C-CD1 3.41Å; D69-I74 WeakPolarHBondContact O-CD1 3.35Å; D71-I74 HydrophobicContact CB-CG1 4.31Å; D71-I74 CarbonylContact O-C 3.6Å; D71-I74 WeakPolarHBondContact O-CA 3.35Å; D71-I74 WeakPolarHBondContact O-CB 3.35Å; D71-I74 PolarHBondContact O-N 3.44Å; V72-I74 PolarHBondContact O-N 3.46Å; I74-W76 VanDerWaalsContact C-N 3.25Å; I74-W76 PolarHBondContact O-N 3.1Å; I74-K77 CarbonylContact O-C 3.45Å; I74-K77 PolarHBondContact O-N 3.08Å; I74-N78 WeakPolarHBondContact CG2-ND2 3.23Å; I74-N78 WeakPolarHBondContact O-CA 3.29Å; I74-N78 WeakPolarHBondContact O-CB 3.33Å; I74-N78 PolarHBondContact O-N 3.15Å; I74-N78 PolarHBondContact O-ND2 3.03Å
75	A	36.5	Very low	34	Very low	12 Å²	12	69.9 Å²	69.9	10%	0.099	44%	0.435	C	S	.	.	H	α-helix	trans	-61.7	-38.3	170.4	0	0	0	0	0	111.2	L58 D71 V72 N78 L79	L58-A75 HydrophobicContact CD1-CB 3.69Å; L58-A75 HydrophobicContact CD2-CB 4.18Å; L58-A75 HydrophobicContact CG-CB 4.42Å; D71-A75 PolarHBondContact O-N 2.82Å; V72-A75 PolarHBondContact O-N 3.14Å; A75-N78 CarbonylContact O-C 3.49Å; A75-N78 PolarHBondContact O-N 2.89Å; A75-L79 WeakPolarHBondContact O-CB 3.36Å; A75-L79 PolarHBondContact O-N 2.68Å
76	W	37.9	Very low	33.7	Very low	55 Å²	55	69.3 Å²	69.3	21%	0.208	43%	0.429	C	S	.	.	H	α-helix	trans	-76.9	-38.6	174.9	-161	-97.3	0	0	0	112.3	F15 L17 V72 I74 N78 L79 A80 M95	F15-W76 AromaticContact CD1-CD1 3.72Å; F15-W76 AromaticContact CD1-CD2 3.98Å; F15-W76 HydrophobicContact CD1-CD2 3.98Å; F15-W76 AromaticContact CD1-CE2 3.6Å; F15-W76 HydrophobicContact CD1-CG 4.03Å; F15-W76 HydrophobicContact CD1-CZ2 4.08Å; F15-W76 AromaticContact CD1-NE1 3.47Å; F15-W76 HydrophobicContact CE1-CB 4.22Å; F15-W76 AromaticContact CE1-CD1 3.75Å; F15-W76 AromaticContact CE1-CD2 3.92Å; F15-W76 HydrophobicContact CE1-CD2 3.92Å; F15-W76 AromaticContact CE1-CG 3.71Å; F15-W76 HydrophobicContact CE1-CG 3.71Å; F15-W76 AromaticContact CE1-NE1 3.97Å; L17-W76 HydrophobicContact CD1-CH2 3.59Å; L17-W76 HydrophobicContact CD1-CZ2 3.46Å; L17-W76 VanDerWaalsContact CD1-CZ2 3.46Å; L17-W76 HydrophobicContact CD2-CZ2 4.45Å; L17-W76 HydrophobicContact CG-CH2 4.36Å; L17-W76 HydrophobicContact CG-CZ2 3.77Å; V72-W76 WeakPolarHBondContact O-CA 3.27Å; V72-W76 WeakPolarHBondContact O-CB 3.11Å; V72-W76 PolarHBondContact O-N 2.89Å; I74-W76 VanDerWaalsContact C-N 3.25Å; I74-W76 PolarHBondContact O-N 3.1Å; W76-N78 VanDerWaalsContact C-N 3.28Å; W76-N78 PolarHBondContact O-N 2.81Å; W76-L79 HydrophobicContact CE3-CD2 4.27Å; W76-L79 HydrophobicContact CZ3-CD2 4.3Å; W76-L79 CarbonylContact O-C 3.56Å; W76-L79 WeakPolarHBondContact O-CB 3.14Å; W76-L79 PolarHBondContact O-N 3.38Å; W76-A80 WeakPolarHBondContact O-CA 3.3Å; W76-A80 WeakPolarHBondContact O-CB 3.17Å; W76-A80 PolarHBondContact O-N 2.73Å; W76-M95 HydrophobicContact CZ3-SD 4.32Å
77	K	36.3	Very low	33.1	Very low	117 Å²	117	76.6 Å²	76.6	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-61.7	-35.6	166	-105.4	176	170.2	174.2	0	111.1	G73 I74 A81	G73-K77 WeakPolarHBondContact O-CA 3.24Å; G73-K77 WeakPolarHBondContact O-CB 3.05Å; G73-K77 PolarHBondContact O-N 3.3Å; I74-K77 CarbonylContact O-C 3.45Å; I74-K77 PolarHBondContact O-N 3.08Å; K77-A81 VanDerWaalsContact O-CA 3.31Å; K77-A81 WeakPolarHBondContact O-CA 3.14Å; K77-A81 WeakPolarHBondContact O-CB 3.16Å; K77-A81 PolarHBondContact O-N 2.88Å
78	N	36.5	Very low	32.7	Very low	31 Å²	31	78.1 Å²	78.1	17%	0.166	45%	0.452	C	S	.	.	H	α-helix	trans	-77	-29	176.7	-74.3	-26.5	0	0	0	111.1	W43 I74 A75 W76 R82	W43-N78 PolarHBondContact N-ND2 3.39Å; I74-N78 WeakPolarHBondContact CG2-ND2 3.23Å; I74-N78 WeakPolarHBondContact O-CA 3.29Å; I74-N78 WeakPolarHBondContact O-CB 3.33Å; I74-N78 PolarHBondContact O-N 3.15Å; I74-N78 PolarHBondContact O-ND2 3.03Å; A75-N78 CarbonylContact O-C 3.49Å; A75-N78 PolarHBondContact O-N 2.89Å; W76-N78 VanDerWaalsContact C-N 3.28Å; W76-N78 PolarHBondContact O-N 2.81Å; N78-R82 WeakPolarHBondContact O-CB 3.28Å; N78-R82 VanDerWaalsContact O-CD 3.22Å; N78-R82 WeakPolarHBondContact O-CD 3.45Å; N78-R82 WeakPolarHBondContact O-CG 3.27Å
79	L	35.5	Very low	32.4	Very low	58 Å²	58	77.6 Å²	77.6	30%	0.304	45%	0.448	S	S	.	.	H	α-helix	trans	-71.4	-41.7	170.6	-131.2	89.9	0	0	0	111.3	V40 A75 W76	V40-L79 HydrophobicContact CG1-CD1 4.39Å; A75-L79 WeakPolarHBondContact O-CB 3.36Å; A75-L79 PolarHBondContact O-N 2.68Å; W76-L79 HydrophobicContact CE3-CD2 4.27Å; W76-L79 HydrophobicContact CZ3-CD2 4.3Å; W76-L79 CarbonylContact O-C 3.56Å; W76-L79 WeakPolarHBondContact O-CB 3.14Å; W76-L79 PolarHBondContact O-N 3.38Å
80	A	32.4	Very low	32	Very low	74 Å²	74	72.8 Å²	72.8	61%	0.612	43%	0.429	S	S	*	.	H	α-helix	trans	-88.8	-26.7	-175.1	0	0	0	0	0	113.6	W76 R82	W76-A80 WeakPolarHBondContact O-CA 3.3Å; W76-A80 WeakPolarHBondContact O-CB 3.17Å; W76-A80 PolarHBondContact O-N 2.73Å; A80-R82 VanDerWaalsContact C-N 3.27Å
81	A	32.2	Very low	31.7	Very low	82 Å²	82	68.9 Å²	68.9	68%	0.678	42%	0.423	S	S	*	.	S	Bend	trans	-84.1	-2	171.5	0	0	0	0	0	112.4	K77	K77-A81 VanDerWaalsContact O-CA 3.31Å; K77-A81 WeakPolarHBondContact O-CA 3.14Å; K77-A81 WeakPolarHBondContact O-CB 3.16Å; K77-A81 PolarHBondContact O-N 2.88Å
82	R	29.5	Very low	31.4	Very low	73 Å²	73	67.1 Å²	67.1	28%	0.275	42%	0.417	S	S	.	.			trans	-89.2	108.2	169.4	-84.1	176.8	-178.8	-144.1	4.7	109.8	N78 A80 H84	N78-R82 WeakPolarHBondContact O-CB 3.28Å; N78-R82 VanDerWaalsContact O-CD 3.22Å; N78-R82 WeakPolarHBondContact O-CD 3.45Å; N78-R82 WeakPolarHBondContact O-CG 3.27Å; A80-R82 VanDerWaalsContact C-N 3.27Å; R82-H84 PolarHBondContact O-N 2.82Å
83	S	30.2	Very low	31.3	Very low	102 Å²	102	71 Å²	71	71%	0.713	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	14.5	158.1	45.9	0	0	0	0	114.9
84	H	28.8	Very low	31.2	Very low	98 Å²	98	73 Å²	73	45%	0.454	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137	14.3	-168.7	-62.2	-52.2	0	0	0	114.7	R82 G86	R82-H84 PolarHBondContact O-N 2.82Å; H84-G86 PolarHBondContact O-N 2.97Å
85	A	28.7	Very low	31.1	Very low	68 Å²	68	72.8 Å²	72.8	56%	0.562	44%	0.44	S	S	*	.			trans	-79.1	14.9	171.9	0	0	0	0	0	113.9	F87	A85-F87 PolarHBondContact O-N 3.44Å
86	G	26.1	Very low	31	Very low	57 Å²	57	73.6 Å²	73.6	59%	0.588	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	100.3	167.9	0	0	0	0	0	109.4	H84	H84-G86 PolarHBondContact O-N 2.97Å
87	F	25.1	Very low	30.8	Very low	195 Å²	195	73 Å²	73	86%	0.855	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175.7	-9.5	142.8	-91.1	-61.8	0	0	0	112.5	A85	A85-F87 PolarHBondContact O-N 3.44Å
88	N	26.4	Very low	30.7	Very low	101 Å²	101	71.4 Å²	71.4	54%	0.54	45%	0.448	S	S	.	.			trans	-146.9	82.8	169.2	-86.6	-32.2	0	0	0	112	G90 S91	N88-G90 PolarHBondContact O-N 2.61Å; N88-G90 VanDerWaalsContact O-N 3.13Å; N88-S91 PolarHBondContact O-OG 2.92Å
89	A	26	Very low	30.7	Very low	68 Å²	68	73.3 Å²	73.3	56%	0.562	46%	0.458	S	S	*	.	H	α-helix	trans	-59.8	-17.3	170	0	0	0	0	0	113.1	S91 I93	A89-S91 PolarHBondContact O-N 2.88Å; A89-I93 HydrophobicContact CB-CD1 4.26Å; A89-I93 WeakPolarHBondContact O-CB 2.98Å; A89-I93 WeakPolarHBondContact O-CD1 3.33Å; A89-I93 WeakPolarHBondContact O-CG1 3.35Å; A89-I93 PolarHBondContact O-N 3.24Å
90	G	26.6	Very low	30.5	Very low	30 Å²	30	78.6 Å²	78.6	31%	0.309	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-35.4	-179.7	0	0	0	0	0	114.6	N88 T94	N88-G90 PolarHBondContact O-N 2.61Å; N88-G90 VanDerWaalsContact O-N 3.13Å; G90-T94 WeakPolarHBondContact O-CB 3.15Å; G90-T94 PolarHBondContact O-N 3.07Å; G90-T94 PolarHBondContact O-OG1 2.82Å
91	S	28.2	Very low	30.4	Very low	59 Å²	59	77 Å²	77	41%	0.413	46%	0.461	S	S	.	.	H	α-helix	trans	-75.8	-37.6	-175.1	44.2	0	0	0	0	113.1	N88 A89 M95	N88-S91 PolarHBondContact O-OG 2.92Å; A89-S91 PolarHBondContact O-N 2.88Å; S91-M95 WeakPolarHBondContact O-CB 3.26Å; S91-M95 PolarHBondContact O-N 3.05Å
92	A	30.7	Very low	30.2	Very low	20 Å²	20	78 Å²	78	17%	0.165	45%	0.448	C	S	.	.	H	α-helix	trans	-71.7	-38.4	174.6	0	0	0	0	0	112.2	L17 M95 A96	L17-A92 HydrophobicContact CD1-CB 4.44Å; A92-M95 PolarHBondContact O-N 2.82Å; A92-A96 WeakPolarHBondContact O-CB 2.99Å; A92-A96 PolarHBondContact O-N 3.19Å
93	I	31.7	Very low	30.3	Very low	112 Å²	112	82.4 Å²	82.4	57%	0.574	47%	0.469	S	S	*	.	H	α-helix	trans	-66.6	-41.3	173.6	-67.5	168.6	0	0	0	110.8	A89 M95 A97	A89-I93 HydrophobicContact CB-CD1 4.26Å; A89-I93 WeakPolarHBondContact O-CB 2.98Å; A89-I93 WeakPolarHBondContact O-CD1 3.33Å; A89-I93 WeakPolarHBondContact O-CG1 3.35Å; A89-I93 PolarHBondContact O-N 3.24Å; I93-M95 VanDerWaalsContact C-N 3.34Å; I93-A97 WeakPolarHBondContact O-CB 3.02Å; I93-A97 PolarHBondContact O-N 3.07Å
94	T	33.5	Very low	30.2	Very low	71 Å²	71	81.3 Å²	81.3	44%	0.436	45%	0.451	S	S	.	.	H	α-helix	trans	-65.3	-40	176.2	-55.6	0	0	0	0	110.8	G90 E98	G90-T94 WeakPolarHBondContact O-CB 3.15Å; G90-T94 PolarHBondContact O-N 3.07Å; G90-T94 PolarHBondContact O-OG1 2.82Å; T94-E98 WeakPolarHBondContact O-CB 3.26Å; T94-E98 PolarHBondContact O-N 2.66Å
95	M	34.2	Very low	30.2	Very low	45 Å²	45	86.7 Å²	86.7	22%	0.222	47%	0.468	C	S	.	.	H	α-helix	trans	-68.2	-45	177.9	-165	-175.5	-49.4	0	0	112.3	L55 W76 S91 A92 I93 E98 L99	L55-M95 HydrophobicContact CD1-CE 3.95Å; L55-M95 HydrophobicContact CD1-SD 4.18Å; L55-M95 HydrophobicContact CD2-CE 3.45Å; L55-M95 VanDerWaalsContact CD2-CE 3.45Å; L55-M95 HydrophobicContact CD2-SD 3.85Å; L55-M95 HydrophobicContact CG-CE 4.36Å; W76-M95 HydrophobicContact CZ3-SD 4.32Å; S91-M95 WeakPolarHBondContact O-CB 3.26Å; S91-M95 PolarHBondContact O-N 3.05Å; A92-M95 PolarHBondContact O-N 2.82Å; I93-M95 VanDerWaalsContact C-N 3.34Å; M95-E98 PolarHBondContact O-N 2.79Å; M95-L99 HydrophobicContact CG-CD1 4.39Å; M95-L99 WeakPolarHBondContact O-CB 3.42Å; M95-L99 WeakPolarHBondContact O-CD1 3.4Å; M95-L99 WeakPolarHBondContact O-CG 3.23Å; M95-L99 PolarHBondContact O-N 2.78Å
96	A	35	Very low	30.1	Very low	30 Å²	30	87.4 Å²	87.4	25%	0.248	47%	0.466	C	S	.	.	H	α-helix	trans	-65.4	-44.8	173.8	0	0	0	0	0	111.2	A92 E98 L99 F100	A92-A96 WeakPolarHBondContact O-CB 2.99Å; A92-A96 PolarHBondContact O-N 3.19Å; A96-E98 VanDerWaalsContact C-N 3.31Å; A96-E98 PolarHBondContact O-N 2.97Å; A96-L99 PolarHBondContact O-N 3.49Å; A96-F100 WeakPolarHBondContact O-CB 3.2Å; A96-F100 VanDerWaalsContact O-CD2 3.26Å; A96-F100 WeakPolarHBondContact O-CD2 3.13Å; A96-F100 PolarHBondContact O-N 3.24Å
97	A	34.2	Very low	30.1	Very low	41 Å²	41	90.5 Å²	90.5	34%	0.339	46%	0.464	S	S	.	.	H	α-helix	trans	-61.3	-38.2	175.8	0	0	0	0	0	111.7	I93 T101	I93-A97 WeakPolarHBondContact O-CB 3.02Å; I93-A97 PolarHBondContact O-N 3.07Å; A97-T101 VanDerWaalsContact O-CB 3.25Å; A97-T101 WeakPolarHBondContact O-CB 3.16Å; A97-T101 WeakPolarHBondContact O-CG2 3.17Å; A97-T101 PolarHBondContact O-N 3.46Å; A97-T101 PolarHBondContact O-OG1 3.06Å
98	E	33.4	Very low	30.1	Very low	84 Å²	84	83.3 Å²	83.3	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-65	-46	173.4	-122.5	-146.3	-172.3	0	0	112.2	T94 M95 A96 F100 T101 R102	T94-E98 WeakPolarHBondContact O-CB 3.26Å; T94-E98 PolarHBondContact O-N 2.66Å; M95-E98 PolarHBondContact O-N 2.79Å; A96-E98 VanDerWaalsContact C-N 3.31Å; A96-E98 PolarHBondContact O-N 2.97Å; E98-F100 VanDerWaalsContact C-N 3.35Å; E98-F100 PolarHBondContact O-N 3.33Å; E98-T101 WeakPolarHBondContact CA-OG1 3.41Å; E98-T101 PolarHBondContact O-N 2.8Å; E98-T101 PolarHBondContact O-OG1 2.8Å; E98-R102 VanDerWaalsContact O-CB 3.26Å; E98-R102 WeakPolarHBondContact O-CB 3.03Å; E98-R102 WeakPolarHBondContact O-CG 3.21Å; E98-R102 PolarHBondContact O-N 3.33Å; E98-R102 IonicContact OE1-CZ 2.66Å; E98-R102 IonicContact OE1-NE 2.95Å; E98-R102 IonicContact OE1-NH1 2.8Å; E98-R102 IonicContact OE1-NH2 2.76Å; E98-R102 PolarHBondContact OE1-NH2 2.84Å; E98-R102 IonicContact OE2-CZ 3.64Å; E98-R102 IonicContact OE2-NE 2.78Å; E98-R102 IonicContact OE2-NH1 3.6Å; E98-R102 PolarHBondContact OE2-NH1 2.86Å; E98-R102 IonicContact OE2-NH2 3.22Å
99	L	35.8	Very low	30.1	Very low	72 Å²	72	85.7 Å²	85.7	38%	0.377	45%	0.452	S	S	.	.	H	α-helix	trans	-64.1	-39.6	178.3	-68.6	166.9	0	0	0	111.6	M95 A96 F104	M95-L99 HydrophobicContact CG-CD1 4.39Å; M95-L99 WeakPolarHBondContact O-CB 3.42Å; M95-L99 WeakPolarHBondContact O-CD1 3.4Å; M95-L99 WeakPolarHBondContact O-CG 3.23Å; M95-L99 PolarHBondContact O-N 2.78Å; A96-L99 PolarHBondContact O-N 3.49Å; L99-F104 HydrophobicContact CD2-CB 4.4Å; L99-F104 HydrophobicContact CD2-CD2 3.55Å; L99-F104 HydrophobicContact CD2-CE2 3.95Å; L99-F104 HydrophobicContact CD2-CG 4.07Å; L99-F104 WeakPolarHBondContact O-CB 3.27Å; L99-F104 PolarHBondContact O-N 3.29Å; L99-F104 VanDerWaalsContact O-N 3.15Å
100	F	33	Very low	30.1	Very low	168 Å²	168	88.2 Å²	88.2	74%	0.737	46%	0.463	S	S	*	.	H	α-helix	trans	-72.1	-44.2	176	-90.6	-80.1	0	0	0	113.1	A96 E98 R102 K103	A96-F100 WeakPolarHBondContact O-CB 3.2Å; A96-F100 VanDerWaalsContact O-CD2 3.26Å; A96-F100 WeakPolarHBondContact O-CD2 3.13Å; A96-F100 PolarHBondContact O-N 3.24Å; E98-F100 VanDerWaalsContact C-N 3.35Å; E98-F100 PolarHBondContact O-N 3.33Å; F100-R102 VanDerWaalsContact C-N 3.25Å; F100-R102 PolarHBondContact O-N 3.45Å; F100-K103 PolarHBondContact O-N 2.81Å
101	T	29.8	Very low	30.1	Very low	40 Å²	40	89.7 Å²	89.7	25%	0.245	47%	0.468	C	S	.	.	H	α-helix	trans	-68	-26.1	178.6	43.2	0	0	0	0	112.8	A97 E98 L346 L348	A97-T101 VanDerWaalsContact O-CB 3.25Å; A97-T101 WeakPolarHBondContact O-CB 3.16Å; A97-T101 WeakPolarHBondContact O-CG2 3.17Å; A97-T101 PolarHBondContact O-N 3.46Å; A97-T101 PolarHBondContact O-OG1 3.06Å; E98-T101 WeakPolarHBondContact CA-OG1 3.41Å; E98-T101 PolarHBondContact O-N 2.8Å; E98-T101 PolarHBondContact O-OG1 2.8Å; T101-L346 HydrophobicContact CG2-CB 4.38Å; T101-L346 HydrophobicContact CG2-CD1 4.16Å; T101-L348 HydrophobicContact CG2-CB 4.36Å; T101-L348 HydrophobicContact CG2-CD1 3.5Å; T101-L348 VanDerWaalsContact CG2-CD1 3.5Å
102	R	27.5	Very low	30	Very low	105 Å²	105	91.4 Å²	91.4	40%	0.396	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.2	177.7	-62.5	-178.2	172.9	-176.8	0.7	114.4	E98 F100 F104 W305	E98-R102 VanDerWaalsContact O-CB 3.26Å; E98-R102 WeakPolarHBondContact O-CB 3.03Å; E98-R102 WeakPolarHBondContact O-CG 3.21Å; E98-R102 PolarHBondContact O-N 3.33Å; E98-R102 IonicContact OE1-CZ 2.66Å; E98-R102 IonicContact OE1-NE 2.95Å; E98-R102 IonicContact OE1-NH1 2.8Å; E98-R102 IonicContact OE1-NH2 2.76Å; E98-R102 PolarHBondContact OE1-NH2 2.84Å; E98-R102 IonicContact OE2-CZ 3.64Å; E98-R102 IonicContact OE2-NE 2.78Å; E98-R102 IonicContact OE2-NH1 3.6Å; E98-R102 PolarHBondContact OE2-NH1 2.86Å; E98-R102 IonicContact OE2-NH2 3.22Å; F100-R102 VanDerWaalsContact C-N 3.25Å; F100-R102 PolarHBondContact O-N 3.45Å; R102-F104 HydrophobicContact CB-CD2 4.44Å; R102-F104 PolarHBondContact O-N 2.87Å; R102-W305 HydrophobicContact CB-CH2 3.32Å; R102-W305 HydrophobicContact CB-CZ2 3.91Å; R102-W305 HydrophobicContact CB-CZ3 3.99Å; R102-W305 HydrophobicContact CG-CH2 4.16Å; R102-W305 HydrophobicContact CG-CZ3 4.35Å; R102-W305 WeakPolarHBondContact O-CZ2 3.5Å
103	K	31.1	Very low	29.9	Very low	164 Å²	164	93.4 Å²	93.4	71%	0.713	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	40.4	-178.4	-62.8	-175.3	178.5	178.9	0	112.9	F100 W105	F100-K103 PolarHBondContact O-N 2.81Å; K103-W105 PolarHBondContact O-N 2.84Å
104	F	27.6	Very low	30	Very low	80 Å²	80	93.7 Å²	93.7	35%	0.351	53%	0.527	S	S	.	.			trans	-65.4	101.2	170.3	-101.6	-73.5	0	0	0	109.2	F59 L99 R102 W305	F59-F104 HydrophobicContact CE2-CZ 4.29Å; F59-F104 HydrophobicContact CZ-CE1 4.47Å; F59-F104 AromaticContact CZ-CZ 3.89Å; F59-F104 HydrophobicContact CZ-CZ 3.89Å; L99-F104 HydrophobicContact CD2-CB 4.4Å; L99-F104 HydrophobicContact CD2-CD2 3.55Å; L99-F104 HydrophobicContact CD2-CE2 3.95Å; L99-F104 HydrophobicContact CD2-CG 4.07Å; L99-F104 WeakPolarHBondContact O-CB 3.27Å; L99-F104 PolarHBondContact O-N 3.29Å; L99-F104 VanDerWaalsContact O-N 3.15Å; R102-F104 HydrophobicContact CB-CD2 4.44Å; R102-F104 PolarHBondContact O-N 2.87Å; F104-W305 AromaticContact CD2-CH2 3.34Å; F104-W305 HydrophobicContact CD2-CH2 3.34Å; F104-W305 HydrophobicContact CD2-CZ2 4.31Å; F104-W305 AromaticContact CD2-CZ3 3.97Å; F104-W305 HydrophobicContact CD2-CZ3 3.97Å; F104-W305 HydrophobicContact CE1-CH2 4.38Å; F104-W305 HydrophobicContact CE2-CE3 4.42Å; F104-W305 AromaticContact CE2-CH2 3.08Å; F104-W305 HydrophobicContact CE2-CH2 3.08Å; F104-W305 HydrophobicContact CE2-CZ2 4.21Å; F104-W305 AromaticContact CE2-CZ3 3.22Å; F104-W305 HydrophobicContact CE2-CZ3 3.22Å; F104-W305 HydrophobicContact CG-CH2 4.12Å; F104-W305 AromaticContact CZ-CH2 3.63Å; F104-W305 HydrophobicContact CZ-CH2 3.63Å; F104-W305 AromaticContact CZ-CZ3 3.67Å; F104-W305 HydrophobicContact CZ-CZ3 3.67Å
105	W	28.8	Very low	29.8	Very low	211 Å²	211	95.1 Å²	95.1	80%	0.799	54%	0.541	S	S	*	.			trans	-102.1	123.6	157.2	-116.3	-79.6	0	0	0	107.5	K103 K107	K103-W105 PolarHBondContact O-N 2.84Å; W105-K107 PolarHBondContact O-N 2.8Å
106	P	27.6	Very low	29.6	Very low	82 Å²	82	97.1 Å²	97.1	53%	0.532	55%	0.552	S	S	.	*			trans	-59.6	114	162.6	23.7	-28.3	0	0	0	107.2	A108	P106-A108 PolarHBondContact O-N 3.14Å
107	K	25.6	Very low	29.1	Very low	123 Å²	123	102 Å²	102	54%	0.535	58%	0.582	S	S	.	*			trans	-56.3	130.9	160.3	-84.5	-176.1	178.8	178.1	0	106.4	W105 L109 L122 C320	W105-K107 PolarHBondContact O-N 2.8Å; K107-L109 PolarHBondContact O-N 3.24Å; K107-L122 HydrophobicContact CD-CD1 4.41Å; K107-C320 PolarHBondContact NZ-O 3.47Å
108	A	25.8	Very low	28.7	Very low	44 Å²	44	103.2 Å²	103.2	36%	0.364	60%	0.597	S	S	.	*			trans	-44.1	130	156.2	0	0	0	0	0	108.2	E11 P106	E11-A108 HydrophobicContact CB-CB 4.05Å; E11-A108 VanDerWaalsContact CD-CB 3.44Å; E11-A108 HydrophobicContact CG-CB 3.75Å; E11-A108 WeakPolarHBondContact OE2-CB 2.99Å; P106-A108 PolarHBondContact O-N 3.14Å
109	L	26.9	Very low	28.4	Very low	150 Å²	150	104.7 Å²	104.7	79%	0.785	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-49.4	134.8	169.7	-77	159.2	0	0	0	107.9	K107 S111	K107-L109 PolarHBondContact O-N 3.24Å; L109-S111 PolarHBondContact O-N 3.21Å; L109-S111 VanDerWaalsContact O-N 3.08Å
110	P	25.8	Very low	28	Very low	121 Å²	121	105.8 Å²	105.8	79%	0.786	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.6	120.4	-179.3	21.2	-29.5	0	0	0	109.4	G112	P110-G112 PolarHBondContact O-N 3.35Å
111	S	25.8	Very low	27.7	Very low	61 Å²	61	101.3 Å²	101.3	43%	0.427	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-62.4	130.9	158	64.5	0	0	0	0	106.2	L109 S113	L109-S111 PolarHBondContact O-N 3.21Å; L109-S111 VanDerWaalsContact O-N 3.08Å; S111-S113 PolarHBondContact O-N 3.44Å
112	G	27	Very low	27.6	Very low	96 Å²	96	102.1 Å²	102.1	99%	0.99	61%	0.608	S	S	*	*	S	Bend	trans	-67.3	27.3	-167.1	0	0	0	0	0	116.7	P110	P110-G112 PolarHBondContact O-N 3.35Å
113	S	28	Very low	27.7	Very low	61 Å²	61	99.7 Å²	99.7	43%	0.427	60%	0.603	S	S	.	*			trans	-120.6	121.4	177.2	67.6	0	0	0	0	112	S111 S115	S111-S113 PolarHBondContact O-N 3.44Å; S113-S115 PolarHBondContact O-N 2.97Å
114	A	33.5	Very low	27.6	Very low	118 Å²	118	95.2 Å²	95.2	98%	0.975	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	10.7	179.4	0	0	0	0	0	115.2
115	S	30.1	Very low	27.5	Very low	102 Å²	102	97.1 Å²	97.1	71%	0.713	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	12	-168.8	55.1	0	0	0	0	114.7	S113	S113-S115 PolarHBondContact O-N 2.97Å
116	D	29.7	Very low	27.4	Very low	87 Å²	87	88 Å²	88	47%	0.465	56%	0.564	S	S	.	*			trans	-87.1	125.8	-175.2	-142.3	-20.3	0	0	0	111.9	G118 V119	D116-G118 PolarHBondContact O-N 3.12Å; D116-V119 PolarHBondContact O-N 3.42Å
117	P	24.9	Very low	27.4	Very low	133 Å²	133	87.3 Å²	87.3	86%	0.864	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-1.1	-176.4	-18.1	31.5	0	0	0	115.3
118	G	25.4	Very low	27.5	Very low	65 Å²	65	89.1 Å²	89.1	67%	0.67	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	3.5	-179.4	0	0	0	0	0	115.4	D116 V120	D116-G118 PolarHBondContact O-N 3.12Å; G118-V120 PolarHBondContact O-N 2.74Å
119	V	26.5	Very low	27.5	Very low	116 Å²	116	93 Å²	93	70%	0.703	58%	0.581	S	S	*	*			trans	-75.3	90.2	177.3	-176.6	0	0	0	0	109.7	D116 D121	D116-V119 PolarHBondContact O-N 3.42Å; V119-D121 PolarHBondContact O-N 3.2Å; V119-D121 VanDerWaalsContact O-N 3.15Å
120	V	27	Very low	27.4	Very low	95 Å²	95	87.5 Å²	87.5	58%	0.576	56%	0.555	S	S	*	*			trans	-67.3	109.1	163	179.2	0	0	0	0	107.3	G118 L122 F125	G118-V120 PolarHBondContact O-N 2.74Å; V120-L122 VanDerWaalsContact C-N 3.31Å; V120-L122 PolarHBondContact O-N 3.49Å; V120-F125 HydrophobicContact CG1-CD2 4.41Å
121	D	28.5	Very low	27.3	Very low	73 Å²	73	85.4 Å²	85.4	39%	0.39	55%	0.548	S	S	.	.			trans	-63.1	94.4	170.3	179.8	5.3	0	0	0	109	V119 N123 N124 F125	V119-D121 PolarHBondContact O-N 3.2Å; V119-D121 VanDerWaalsContact O-N 3.15Å; D121-N123 PolarHBondContact O-N 2.98Å; D121-N123 WeakPolarHBondContact OD1-CA 3.44Å; D121-N123 VanDerWaalsContact OD1-CB 3.23Å; D121-N123 WeakPolarHBondContact OD1-CB 3.27Å; D121-N123 PolarHBondContact OD1-N 3.46Å; D121-N124 HydrophobicContact CB-CB 3.98Å; D121-N124 CarbonylContact O-C 3.56Å; D121-N124 WeakPolarHBondContact O-CA 3.3Å; D121-N124 WeakPolarHBondContact O-CB 3.31Å; D121-N124 PolarHBondContact O-N 3.45Å; D121-N124 PolarHBondContact OD1-N 3.22Å; D121-N124 VanDerWaalsContact OD1-N 3.12Å; D121-N124 PolarHBondContact OD2-ND2 3.3Å; D121-F125 PolarHBondContact O-N 2.83Å
122	L	27.8	Very low	27.1	Very low	58 Å²	58	87 Å²	87	30%	0.304	56%	0.555	S	S	.	*	H	α-helix	trans	-71	-12.9	175.2	-78.9	153.1	0	0	0	112.1	K107 V120 N124 F125 A126	K107-L122 HydrophobicContact CD-CD1 4.41Å; V120-L122 VanDerWaalsContact C-N 3.31Å; V120-L122 PolarHBondContact O-N 3.49Å; L122-N124 VanDerWaalsContact C-N 3.35Å; L122-F125 HydrophobicContact CD2-CB 4.01Å; L122-F125 HydrophobicContact CD2-CG 4.47Å; L122-F125 PolarHBondContact O-N 3.08Å; L122-A126 WeakPolarHBondContact O-CB 3.27Å; L122-A126 PolarHBondContact O-N 2.71Å
123	N	27.9	Very low	27	Very low	54 Å²	54	87 Å²	87	29%	0.289	54%	0.536	S	S	.	.	H	α-helix	trans	-69.7	-38.6	163.1	-66.3	-34.7	0	0	0	108.9	D121 F125 A126 T127 G321	D121-N123 PolarHBondContact O-N 2.98Å; D121-N123 WeakPolarHBondContact OD1-CA 3.44Å; D121-N123 VanDerWaalsContact OD1-CB 3.23Å; D121-N123 WeakPolarHBondContact OD1-CB 3.27Å; D121-N123 PolarHBondContact OD1-N 3.46Å; N123-F125 PolarHBondContact O-N 2.84Å; N123-A126 PolarHBondContact O-N 3.34Å; N123-T127 WeakPolarHBondContact O-CA 3.25Å; N123-T127 WeakPolarHBondContact O-CB 3.36Å; N123-T127 WeakPolarHBondContact O-CG2 3.09Å; N123-T127 PolarHBondContact O-N 3.28Å; N123-T127 PolarHBondContact O-OG1 3.42Å; N123-G321 PolarHBondContact ND2-O 3.07Å
124	N	28.8	Very low	26.7	Very low	70 Å²	70	90.5 Å²	90.5	37%	0.374	55%	0.545	S	S	.	.	H	α-helix	trans	-65.3	-32.2	168.8	-103.3	-60.7	0	0	0	113.7	D121 L122 K128	D121-N124 HydrophobicContact CB-CB 3.98Å; D121-N124 CarbonylContact O-C 3.56Å; D121-N124 WeakPolarHBondContact O-CA 3.3Å; D121-N124 WeakPolarHBondContact O-CB 3.31Å; D121-N124 PolarHBondContact O-N 3.45Å; D121-N124 PolarHBondContact OD1-N 3.22Å; D121-N124 VanDerWaalsContact OD1-N 3.12Å; D121-N124 PolarHBondContact OD2-ND2 3.3Å; L122-N124 VanDerWaalsContact C-N 3.35Å; N124-K128 WeakPolarHBondContact O-CB 3.32Å; N124-K128 WeakPolarHBondContact O-CG 3.07Å; N124-K128 PolarHBondContact O-N 3.47Å; N124-K128 VanDerWaalsContact O-N 3.12Å; N124-K128 WeakPolarHBondContact OD1-CE 3.37Å
125	F	26.4	Very low	26.2	Very low	120 Å²	120	91.8 Å²	91.8	53%	0.526	54%	0.536	S	S	.	.	H	α-helix	trans	-77.7	-33.9	176.4	-141.5	-87.4	0	0	0	112.3	V120 D121 L122 N123 D129	V120-F125 HydrophobicContact CG1-CD2 4.41Å; D121-F125 PolarHBondContact O-N 2.83Å; L122-F125 HydrophobicContact CD2-CB 4.01Å; L122-F125 HydrophobicContact CD2-CG 4.47Å; L122-F125 PolarHBondContact O-N 3.08Å; N123-F125 PolarHBondContact O-N 2.84Å; F125-D129 WeakPolarHBondContact O-CB 3.18Å; F125-D129 PolarHBondContact O-N 3.1Å
126	A	27.1	Very low	25.7	Very low	19 Å²	19	94.7 Å²	94.7	16%	0.157	54%	0.544	C	S	.	.	H	α-helix	trans	-86.7	-23.7	177.3	0	0	0	0	0	113.8	L122 N123 S130 L325	L122-A126 WeakPolarHBondContact O-CB 3.27Å; L122-A126 PolarHBondContact O-N 2.71Å; N123-A126 PolarHBondContact O-N 3.34Å; A126-S130 WeakPolarHBondContact O-CB 3.17Å; A126-S130 PolarHBondContact O-N 3.45Å; A126-S130 PolarHBondContact O-OG 2.86Å; A126-S130 VanDerWaalsContact O-OG 3.07Å; A126-L325 HydrophobicContact CB-CD1 3.52Å; A126-L325 HydrophobicContact CB-CG 4Å
127	T	27.5	Very low	25.4	Very low	67 Å²	67	96.4 Å²	96.4	41%	0.411	56%	0.557	S	S	.	*	H	α-helix	trans	-90.3	-20.4	174	58.8	0	0	0	0	113.3	N123 S130	N123-T127 WeakPolarHBondContact O-CA 3.25Å; N123-T127 WeakPolarHBondContact O-CB 3.36Å; N123-T127 WeakPolarHBondContact O-CG2 3.09Å; N123-T127 PolarHBondContact O-N 3.28Å; N123-T127 PolarHBondContact O-OG1 3.42Å; T127-S130 WeakPolarHBondContact CA-OG 3.41Å; T127-S130 PolarHBondContact O-OG 3Å
128	K	26.9	Very low	25.3	Very low	162 Å²	162	95 Å²	95	70%	0.704	55%	0.55	S	S	*	*	H	α-helix	trans	-87.7	-22.9	170.5	-70.1	178.7	176.4	175.2	0	114	N124	N124-K128 WeakPolarHBondContact O-CB 3.32Å; N124-K128 WeakPolarHBondContact O-CG 3.07Å; N124-K128 PolarHBondContact O-N 3.47Å; N124-K128 VanDerWaalsContact O-N 3.12Å; N124-K128 WeakPolarHBondContact OD1-CE 3.37Å
129	D	27.2	Very low	25.3	Very low	125 Å²	125	95.1 Å²	95.1	67%	0.668	54%	0.539	S	S	*	.	S	Bend	trans	-104.2	-6.1	172.5	-86.1	-17.7	0	0	0	113.9	F125 A131	F125-D129 WeakPolarHBondContact O-CB 3.18Å; F125-D129 PolarHBondContact O-N 3.1Å; D129-A131 PolarHBondContact O-N 3.08Å
130	S	23.8	Very low	25.2	Very low	35 Å²	35	94.5 Å²	94.5	25%	0.245	54%	0.538	C	S	.	.	S	Bend	trans	-73.4	107.5	158.9	63.5	0	0	0	0	107	A126 T127 T132	A126-S130 WeakPolarHBondContact O-CB 3.17Å; A126-S130 PolarHBondContact O-N 3.45Å; A126-S130 PolarHBondContact O-OG 2.86Å; A126-S130 VanDerWaalsContact O-OG 3.07Å; T127-S130 WeakPolarHBondContact CA-OG 3.41Å; T127-S130 PolarHBondContact O-OG 3Å; S130-T132 PolarHBondContact O-N 3.3Å
131	A	23.9	Very low	25.3	Very low	77 Å²	77	99 Å²	99	64%	0.636	55%	0.552	S	S	*	*			trans	-54.6	86.2	169.3	0	0	0	0	0	110	D129 V133	D129-A131 PolarHBondContact O-N 3.08Å; A131-V133 PolarHBondContact O-N 3.17Å
132	T	22.1	Very low	25.1	Very low	94 Å²	94	102.7 Å²	102.7	58%	0.577	57%	0.572	S	S	*	*			trans	-63.4	98.7	151.5	17	0	0	0	0	104.8	S130 H134	S130-T132 PolarHBondContact O-N 3.3Å; T132-H134 PolarHBondContact O-N 2.99Å
133	V	24.2	Very low	25.2	Very low	96 Å²	96	102.7 Å²	102.7	58%	0.582	58%	0.581	S	S	*	*			trans	-54.1	77.7	150.9	-178.2	0	0	0	0	106.1	A131 L299	A131-V133 PolarHBondContact O-N 3.17Å; V133-L299 HydrophobicContact CG2-CD1 4.5Å
134	H	21.8	Very low	25.3	Very low	135 Å²	135	108.1 Å²	108.1	63%	0.625	61%	0.61	S	S	*	*			trans	-88.6	110.3	156.1	-83.9	-59.3	0	0	0	104.7	T132 D136 V137	T132-H134 PolarHBondContact O-N 2.99Å; H134-D136 PolarHBondContact O-N 2.84Å; H134-V137 HydrophobicContact CB-CG2 4.43Å
135	D	22.8	Very low	25.8	Very low	145 Å²	145	107.9 Å²	107.9	78%	0.775	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	26.8	-178.4	-78.2	-37.6	0	0	0	114.7
136	D	20.6	Very low	26.6	Very low	163 Å²	163	105.3 Å²	105.3	87%	0.872	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.2	20.6	-175.4	-94.2	-33.8	0	0	0	116.9	H134	H134-D136 PolarHBondContact O-N 2.84Å
137	V	22.9	Very low	27.6	Very low	122 Å²	122	109.7 Å²	109.7	74%	0.739	62%	0.619	S	S	*	*			trans	-129.4	126.6	-173.7	-169.8	0	0	0	0	114.2	H134	H134-V137 HydrophobicContact CB-CG2 4.43Å
138	S	23	Very low	28.9	Very low	105 Å²	105	106.8 Å²	106.8	73%	0.734	60%	0.601	S	S	*	*			trans	-44.8	145.1	-176.9	-49.7	0	0	0	0	116.1
139	P	24.7	Very low	30.3	Very low	67 Å²	67	101.7 Å²	101.7	44%	0.435	58%	0.584	S	S	.	*			trans	-63.8	145.3	-179.6	25.9	-32.3	0	0	0	112.1
140	P	23.7	Very low	31.9	Very low	103 Å²	103	96.3 Å²	96.3	67%	0.669	56%	0.555	S	S	*	*			trans	-67.8	133.5	178.7	11.4	-4.5	0	0	0	111	N142	P140-N142 PolarHBondContact O-N 3.48Å
141	E	28.9	Very low	33.4	Very low	188 Å²	188	99.6 Å²	99.6	88%	0.879	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-0.7	-169.6	-74.9	-179.3	148.5	0	0	116.7
142	N	26	Very low	34.8	Very low	151 Å²	151	101.1 Å²	101.1	81%	0.807	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	15.9	-173	-74.8	-45.3	0	0	0	116.3	P140 N144	P140-N142 PolarHBondContact O-N 3.48Å; N142-N144 PolarHBondContact O-N 3.4Å
143	A	27.9	Very low	36.3	Very low	59 Å²	59	97.2 Å²	97.2	49%	0.488	53%	0.533	S	S	.	.	S	Bend	trans	-72.3	125.4	159.1	0	0	0	0	0	106.9	L145	A143-L145 WeakPolarHBondContact O-CG 3.18Å; A143-L145 PolarHBondContact O-N 3.26Å
144	N	31.9	Very low	37.8	Very low	168 Å²	168	101.5 Å²	101.5	90%	0.898	55%	0.547	S	S	*	.			trans	-61.5	70.9	-176.8	-80.2	-24.5	0	0	0	112.5	N142 T146	N142-N144 PolarHBondContact O-N 3.4Å; N144-T146 PolarHBondContact O-N 3.25Å
145	L	38.8	Very low	39.6	Very low	65 Å²	65	97.5 Å²	97.5	34%	0.34	53%	0.53	S	S	.	.			trans	-71.9	109.1	168.1	-69.5	169.6	0	0	0	105.8	A143 E147 K283	A143-L145 WeakPolarHBondContact O-CG 3.18Å; A143-L145 PolarHBondContact O-N 3.26Å; L145-E147 PolarHBondContact O-N 3.32Å; L145-K283 HydrophobicContact CD1-CD 4.22Å; L145-K283 HydrophobicContact CD2-CB 3.8Å; L145-K283 HydrophobicContact CD2-CD 3.7Å; L145-K283 HydrophobicContact CD2-CG 3.76Å
146	T	43.6	Very low	41.3	Very low	66 Å²	66	96.6 Å²	96.6	41%	0.405	52%	0.521	S	S	.	.			trans	-82.2	101.4	169	-51.8	0	0	0	0	107.5	N144 H148 P196	N144-T146 PolarHBondContact O-N 3.25Å; T146-H148 PolarHBondContact O-CD2 3.26Å; T146-H148 PolarHBondContact O-N 3.09Å; T146-P196 HydrophobicContact CG2-CG 3.93Å
147	E	47.7	Very low	43.6	Very low	111 Å²	111	91.1 Å²	91.1	52%	0.519	49%	0.494	S	S	.	.			trans	-69.3	113.4	173.1	-57.1	-170.2	168.5	0	0	109.3	L145 P196 L281	L145-E147 PolarHBondContact O-N 3.32Å; E147-P196 WeakPolarHBondContact O-CD 3.49Å; E147-L281 HydrophobicContact CB-CD1 4.45Å; E147-L281 HydrophobicContact CB-CG 4.06Å; E147-L281 HydrophobicContact CG-CD1 3.75Å; E147-L281 HydrophobicContact CG-CD2 4.16Å; E147-L281 HydrophobicContact CG-CG 3.69Å; E147-L281 WeakPolarHBondContact OE1-CD1 3.47Å
148	H	53.9	Low	45.5	Very low	6 Å²	6	91.4 Å²	91.4	3%	0.028	48%	0.482	C	S	.	.			trans	-97.7	111.6	172.7	-60.9	-91.5	0	0	0	110.5	T146 W194 P196 L198 P199 M280 I282	T146-H148 PolarHBondContact O-CD2 3.26Å; T146-H148 PolarHBondContact O-N 3.09Å; H148-W194 HydrophobicContact CB-CE3 4.27Å; H148-P196 PolarHBondContact ND1-O 3.28Å; H148-L198 HydrophobicContact CB-CD2 4.05Å; H148-P199 VanDerWaalsContact CE1-CD 3.43Å; H148-P199 WeakPolarHBondContact CE1-CD 3.22Å; H148-M280 CarbonylContact C-O 3.57Å; H148-M280 CarbonylContact O-C 3.5Å; H148-I282 HydrophobicContact CB-CB 3.93Å; H148-I282 HydrophobicContact CB-CD1 3.98Å; H148-I282 HydrophobicContact CB-CG1 4.26Å
149	V	56.4	Low	47.8	Very low	55 Å²	55	90.3 Å²	90.3	33%	0.333	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.4	176.7	-176.3	0	0	0	0	109.3	K151 H195	V149-K151 VanDerWaalsContact C-N 3.35Å; V149-K151 PolarHBondContact O-N 3.41Å; V149-H195 PolarHBondContact N-O 2.79Å; V149-H195 PolarHBondContact O-N 3.07Å
150	V	60.4	Low	50.1	Low	11 Å²	11	88.3 Å²	88.3	7%	0.067	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	98	161.7	175.8	0	0	0	0	106.9	K152 L163 F181 T192 W194 M280	V150-K152 PolarHBondContact O-N 2.83Å; V150-L163 HydrophobicContact CG1-CD1 4.25Å; V150-F181 HydrophobicContact CG1-CE1 4.35Å; V150-F181 HydrophobicContact CG1-CE2 3.88Å; V150-F181 HydrophobicContact CG1-CZ 3.39Å; V150-T192 HydrophobicContact CB-CG2 4.2Å; V150-T192 HydrophobicContact CG1-CG2 3.43Å; V150-T192 VanDerWaalsContact CG1-CG2 3.43Å; V150-T192 HydrophobicContact CG2-CG2 3.72Å; V150-W194 HydrophobicContact CB-CZ3 4.41Å; V150-W194 HydrophobicContact CG2-CD2 4.5Å; V150-W194 HydrophobicContact CG2-CE3 3.79Å; V150-W194 HydrophobicContact CG2-CH2 3.36Å; V150-W194 HydrophobicContact CG2-CZ2 4.18Å; V150-W194 HydrophobicContact CG2-CZ3 3.15Å; V150-M280 HydrophobicContact CG2-CB 4.06Å
151	K	56.4	Low	52.4	Low	105 Å²	105	84.5 Å²	84.5	46%	0.457	43%	0.425	S	S	.	.			trans	-67.5	135.9	179.2	-112	-172.8	-175.4	169.1	0	108.2	V149 P153 F193 H195	V149-K151 VanDerWaalsContact C-N 3.35Å; V149-K151 PolarHBondContact O-N 3.41Å; K151-P153 VanDerWaalsContact O-N 3.11Å; K151-F193 PolarHBondContact N-O 3.14Å; K151-H195 HydrophobicContact CB-CB 3.79Å; K151-H195 HydrophobicContact CD-CB 3.44Å; K151-H195 VanDerWaalsContact CD-CB 3.44Å; K151-H195 VanDerWaalsContact CD-CG 3.4Å; K151-H195 WeakPolarHBondContact CE-CD2 3.25Å; K151-H195 VanDerWaalsContact CE-CG 3.42Å; K151-H195 HydrophobicContact CG-CB 3.54Å; K151-H195 PolarHBondContact NZ-CD2 3.38Å; K151-H195 PolarHBondContact NZ-CE1 3.17Å; K151-H195 PolarHBondContact NZ-NE2 3.22Å
152	K	53.4	Low	54.5	Low	109 Å²	109	75.8 Å²	75.8	47%	0.474	38%	0.384	S	S	.	.			trans	-44.9	123.1	165.6	-81.1	-175.4	177.4	-178.5	0	107	V150 E154	V150-K152 PolarHBondContact O-N 2.83Å; K152-E154 PolarHBondContact O-N 3.31Å
153	P	52.6	Low	56.9	Low	12 Å²	12	68.6 Å²	68.6	8%	0.078	35%	0.346	C	S	.	.			trans	-55.7	144	174.4	-18.3	29.6	0	0	0	108	K151 I155 F181	K151-P153 VanDerWaalsContact O-N 3.11Å; P153-I155 HydrophobicContact CB-CB 3.76Å; P153-I155 HydrophobicContact CB-CD1 3.31Å; P153-I155 HydrophobicContact CB-CG1 3.31Å; P153-I155 HydrophobicContact CG-CD1 3.99Å; P153-I155 HydrophobicContact CG-CG1 4.42Å; P153-I155 PolarHBondContact O-N 3Å; P153-F181 VanDerWaalsContact CD-CZ 3.49Å; P153-F181 HydrophobicContact CG-CD1 4.22Å; P153-F181 HydrophobicContact CG-CD2 3.61Å; P153-F181 HydrophobicContact CG-CE1 4.07Å; P153-F181 HydrophobicContact CG-CE2 3.43Å; P153-F181 VanDerWaalsContact CG-CE2 3.43Å; P153-F181 HydrophobicContact CG-CG 3.99Å; P153-F181 HydrophobicContact CG-CZ 3.66Å
154	E	56	Low	59.4	Low	186 Å²	186	66.1 Å²	66.1	87%	0.869	32%	0.324	S	S	*	.	S	Bend	trans	-70	38.8	162	-65.5	-178.3	172.2	0	0	110.2	K152	K152-E154 PolarHBondContact O-N 3.31Å
155	I	60.4	Low	61.9	Low	51 Å²	51	58.2 Å²	58.2	26%	0.262	28%	0.282	S	S	.	.			trans	-101.3	99.9	179.1	-53.7	169.4	0	0	0	105.8	P153 W161 A190	P153-I155 HydrophobicContact CB-CB 3.76Å; P153-I155 HydrophobicContact CB-CD1 3.31Å; P153-I155 HydrophobicContact CB-CG1 3.31Å; P153-I155 HydrophobicContact CG-CD1 3.99Å; P153-I155 HydrophobicContact CG-CG1 4.42Å; P153-I155 PolarHBondContact O-N 3Å; I155-W161 HydrophobicContact CB-CZ2 4.47Å; I155-W161 VanDerWaalsContact CG2-CE2 3.46Å; I155-W161 HydrophobicContact CG2-CH2 4.43Å; I155-W161 HydrophobicContact CG2-CZ2 3.42Å; I155-W161 VanDerWaalsContact CG2-CZ2 3.42Å; I155-A190 HydrophobicContact CD1-CB 3.71Å
156	E	59	Low	63.9	Low	125 Å²	125	55.5 Å²	55.5	58%	0.584	27%	0.269	S	S	*	.	S	Bend	trans	-72.3	146.5	168.2	-68.4	-62.3	152.7	0	0	109.7	R158	E156-R158 IonicContact OE1-CZ 3.56Å; E156-R158 IonicContact OE1-NE 2.78Å; E156-R158 PolarHBondContact OE1-NE 3.33Å; E156-R158 IonicContact OE1-NH2 3.64Å
157	P	68.1	Low	65.8	Low	48 Å²	48	56.6 Å²	56.6	31%	0.312	27%	0.268	S	S	.	.	S	Bend	cis	-82.8	125.3	-5.7	32.6	-35.1	0	0	0	112	D159 Q160 W161	P157-D159 VanDerWaalsContact C-N 3.26Å; P157-D159 WeakPolarHBondContact CB-OD1 3.28Å; P157-D159 PolarHBondContact O-N 2.81Å; P157-Q160 HydrophobicContact CB-CG 4.47Å; P157-Q160 HydrophobicContact CG-CB 4.28Å; P157-Q160 HydrophobicContact CG-CG 3.86Å; P157-Q160 VanDerWaalsContact CG-OE1 3.26Å; P157-Q160 PolarHBondContact O-N 3.47Å; P157-W161 VanDerWaalsContact O-CD1 3.3Å
158	R	63.8	Low	67.5	Low	129 Å²	129	53.2 Å²	53.2	49%	0.487	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-63.7	-25.6	-168	-63.1	175.8	-170.1	-159.8	-9.6	115	E156 Q160	E156-R158 IonicContact OE1-CZ 3.56Å; E156-R158 IonicContact OE1-NE 2.78Å; E156-R158 PolarHBondContact OE1-NE 3.33Å; E156-R158 IonicContact OE1-NH2 3.64Å; R158-Q160 PolarHBondContact O-N 3.02Å
159	D	69.8	Low	68.5	Low	81 Å²	81	55.9 Å²	55.9	43%	0.433	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-74.2	-14	-178.5	62	-38.5	0	0	0	113.1	P157 W276	P157-D159 VanDerWaalsContact C-N 3.26Å; P157-D159 WeakPolarHBondContact CB-OD1 3.28Å; P157-D159 PolarHBondContact O-N 2.81Å; D159-W276 HydrophobicContact CB-CZ2 3.81Å
160	Q	72.6	Confident	69.1	Low	26 Å²	26	60.1 Å²	60.1	12%	0.121	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-96.1	-8.5	-176.2	-62.7	177	17	0	0	113.9	P157 R158 N183 E184 R185	P157-Q160 HydrophobicContact CB-CG 4.47Å; P157-Q160 HydrophobicContact CG-CB 4.28Å; P157-Q160 HydrophobicContact CG-CG 3.86Å; P157-Q160 VanDerWaalsContact CG-OE1 3.26Å; P157-Q160 PolarHBondContact O-N 3.47Å; R158-Q160 PolarHBondContact O-N 3.02Å; Q160-N183 CarbonylContact O-C 3.44Å; Q160-N183 VanDerWaalsContact O-CA 3.29Å; Q160-N183 WeakPolarHBondContact O-CA 3.47Å; Q160-E184 PolarHBondContact O-N 3.02Å; Q160-R185 VanDerWaalsContact CD-CD 3.41Å; Q160-R185 HydrophobicContact CG-CG 4.06Å; Q160-R185 VanDerWaalsContact NE2-CZ 3.34Å
161	W	72.9	Confident	69.6	Low	23 Å²	23	68.3 Å²	68.3	9%	0.087	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.4	-176.2	-66.3	91.8	0	0	0	112	I155 P157 F181 L182 N183 D188 A190 A275	I155-W161 HydrophobicContact CB-CZ2 4.47Å; I155-W161 VanDerWaalsContact CG2-CE2 3.46Å; I155-W161 HydrophobicContact CG2-CH2 4.43Å; I155-W161 HydrophobicContact CG2-CZ2 3.42Å; I155-W161 VanDerWaalsContact CG2-CZ2 3.42Å; P157-W161 VanDerWaalsContact O-CD1 3.3Å; W161-F181 HydrophobicContact CE3-CB 3.77Å; W161-F181 HydrophobicContact CZ3-CB 4.3Å; W161-L182 CarbonylContact C-O 3.42Å; W161-L182 WeakPolarHBondContact CA-O 3.43Å; W161-N183 HydrophobicContact CD2-CB 3.98Å; W161-N183 HydrophobicContact CE3-CB 3.87Å; W161-N183 HydrophobicContact CH2-CB 3.86Å; W161-N183 HydrophobicContact CZ2-CB 3.9Å; W161-N183 HydrophobicContact CZ3-CB 3.83Å; W161-D188 HydrophobicContact CH2-CB 3.96Å; W161-D188 WeakPolarHBondContact CZ3-O 3.33Å; W161-A190 HydrophobicContact CE3-CB 4.18Å; W161-A190 HydrophobicContact CH2-CB 3.75Å; W161-A190 HydrophobicContact CZ3-CB 3.45Å; W161-A190 VanDerWaalsContact CZ3-CB 3.45Å; W161-A275 WeakPolarHBondContact O-CB 3.29Å
162	V	73.4	Confident	69.9	Low	4 Å²	4	66.6 Å²	66.6	2%	0.024	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.9	175.2	-69.2	0	0	0	0	111.9	F181 L182 E184 L272 S273	V162-F181 CarbonylContact O-C 3.44Å; V162-F181 VanDerWaalsContact O-CA 3.25Å; V162-F181 WeakPolarHBondContact O-CA 3.5Å; V162-L182 HydrophobicContact CG2-CB 3.92Å; V162-L182 HydrophobicContact CG2-CD2 4.19Å; V162-L182 HydrophobicContact CG2-CG 4.33Å; V162-L182 WeakPolarHBondContact CG2-O 3.29Å; V162-L182 PolarHBondContact N-O 3Å; V162-L182 PolarHBondContact O-N 2.95Å; V162-E184 HydrophobicContact CG1-CG 3.94Å; V162-E184 WeakPolarHBondContact CG1-OE1 3.45Å; V162-E184 HydrophobicContact CG2-CG 4.02Å; V162-L272 HydrophobicContact CB-CD2 4.31Å; V162-L272 HydrophobicContact CG1-CD2 4.18Å; V162-L272 HydrophobicContact CG2-CD2 3.53Å; V162-S273 WeakPolarHBondContact CB-O 3.46Å
163	L	76.8	Confident	70.6	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.2	176	-171.1	72.9	0	0	0	109.5	V150 L179 F181 T192 P212 T278	V150-L163 HydrophobicContact CG1-CD1 4.25Å; L163-L179 HydrophobicContact CD1-CB 4.44Å; L163-L179 HydrophobicContact CD2-CD2 4.29Å; L163-L179 HydrophobicContact CG-CD2 4.24Å; L163-F181 HydrophobicContact CB-CD1 4.42Å; L163-F181 HydrophobicContact CB-CE1 4.27Å; L163-F181 HydrophobicContact CD1-CD1 4.16Å; L163-F181 HydrophobicContact CD1-CE1 3.96Å; L163-F181 HydrophobicContact CD1-CE2 4.39Å; L163-F181 HydrophobicContact CD1-CG 4.47Å; L163-F181 HydrophobicContact CD1-CZ 4.11Å; L163-T192 HydrophobicContact CD1-CG2 4.19Å; L163-P212 HydrophobicContact CD2-CG 4.4Å; L163-P212 HydrophobicContact CG-CG 4.27Å; L163-P212 WeakPolarHBondContact O-CB 3.45Å; L163-T278 HydrophobicContact CD2-CG2 3.92Å
164	F	79.1	Confident	71.6	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	168.7	-179.1	80.5	-69.1	0	0	0	112.3	A166 A180 L182 I189 V266	F164-A166 HydrophobicContact CE2-CB 3.9Å; F164-A166 HydrophobicContact CZ-CB 3.91Å; F164-A180 HydrophobicContact CD1-CB 4.28Å; F164-A180 VanDerWaalsContact CD1-O 3.22Å; F164-A180 WeakPolarHBondContact CD1-O 3.41Å; F164-A180 HydrophobicContact CE1-CB 3.64Å; F164-A180 HydrophobicContact CZ-CB 4.1Å; F164-A180 PolarHBondContact N-O 2.98Å; F164-A180 PolarHBondContact O-N 3.4Å; F164-L182 HydrophobicContact CD1-CB 3.64Å; F164-L182 HydrophobicContact CE1-CB 3.54Å; F164-L182 HydrophobicContact CZ-CB 4.32Å; F164-I189 HydrophobicContact CE1-CG1 4.48Å; F164-I189 HydrophobicContact CE1-CG2 4.35Å; F164-I189 HydrophobicContact CZ-CD1 4.1Å; F164-I189 HydrophobicContact CZ-CG1 4.2Å; F164-I189 HydrophobicContact CZ-CG2 4.37Å; F164-V266 HydrophobicContact CD2-CB 4.48Å; F164-V266 HydrophobicContact CD2-CG1 3.87Å; F164-V266 HydrophobicContact CE2-CG1 4.39Å
165	W	84.3	Confident	72.5	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	104.7	171.4	-66.3	104.7	0	0	0	110.4	H178 L179 L208 A211 P212 L214 V224 V240 P242 S264	W165-H178 CarbonylContact C-O 3.41Å; W165-H178 WeakPolarHBondContact CA-O 3.39Å; W165-L179 HydrophobicContact CD2-CD2 3.86Å; W165-L179 HydrophobicContact CE3-CD2 3.85Å; W165-L179 HydrophobicContact CE3-CG 4Å; W165-L179 HydrophobicContact CH2-CD1 4.19Å; W165-L179 HydrophobicContact CH2-CD2 3.78Å; W165-L179 HydrophobicContact CH2-CG 3.75Å; W165-L179 HydrophobicContact CZ2-CD2 3.79Å; W165-L179 HydrophobicContact CZ2-CG 4.28Å; W165-L179 HydrophobicContact CZ3-CD1 4.44Å; W165-L179 HydrophobicContact CZ3-CD2 3.81Å; W165-L179 HydrophobicContact CZ3-CG 3.59Å; W165-L208 HydrophobicContact CH2-CD1 3.87Å; W165-L208 HydrophobicContact CZ2-CD1 3.92Å; W165-A211 HydrophobicContact CZ2-CB 4.15Å; W165-P212 PolarHBondContact NE1-O 2.72Å; W165-L214 HydrophobicContact CB-CD1 4.14Å; W165-L214 HydrophobicContact CB-CG 4.39Å; W165-L214 HydrophobicContact CD2-CD1 4.07Å; W165-L214 HydrophobicContact CG-CB 4.15Å; W165-L214 HydrophobicContact CG-CD1 3.85Å; W165-L214 HydrophobicContact CG-CG 4.21Å; W165-V224 HydrophobicContact CH2-CG1 4.3Å; W165-V224 HydrophobicContact CZ2-CB 3.87Å; W165-V224 HydrophobicContact CZ2-CG1 3.87Å; W165-V224 HydrophobicContact CZ2-CG2 3.96Å; W165-V240 HydrophobicContact CH2-CG1 4.24Å; W165-V240 WeakPolarHBondContact CZ3-O 3.24Å; W165-P242 HydrophobicContact CD2-CB 4.37Å; W165-P242 HydrophobicContact CD2-CG 4.24Å; W165-P242 HydrophobicContact CE3-CB 4.03Å; W165-P242 HydrophobicContact CE3-CG 3.67Å; W165-P242 HydrophobicContact CH2-CB 3.68Å; W165-P242 HydrophobicContact CH2-CG 4.2Å; W165-P242 HydrophobicContact CZ2-CB 4.02Å; W165-P242 HydrophobicContact CZ3-CB 3.67Å; W165-P242 VanDerWaalsContact CZ3-CD 3.49Å; W165-P242 HydrophobicContact CZ3-CG 3.65Å; W165-S264 WeakPolarHBondContact O-CB 3.43Å; W165-S264 PolarHBondContact O-OG 2.89Å
166	A	82.2	Confident	73.7	Confident	9 Å²	9	63.5 Å²	63.5	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	139.5	175.3	0	0	0	0	0	111	F164 S177 H178 A180	F164-A166 HydrophobicContact CE2-CB 3.9Å; F164-A166 HydrophobicContact CZ-CB 3.91Å; A166-S177 VanDerWaalsContact O-CA 3.26Å; A166-S177 WeakPolarHBondContact O-CA 3.27Å; A166-H178 PolarHBondContact N-O 3.17Å; A166-H178 PolarHBondContact O-N 2.8Å; A166-A180 HydrophobicContact CB-CB 3.99Å
167	K	83.8	Confident	74.9	Confident	88 Å²	88	57.6 Å²	57.6	38%	0.383	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62.1	152.1	172.7	66.4	-179.4	179.9	178.6	0	111.4	N169 E267	K167-N169 PolarHBondContact O-N 3.37Å; K167-E267 IonicContact NZ-OE1 2.85Å; K167-E267 PolarHBondContact NZ-OE1 2.87Å
168	P	81.4	Confident	75.7	Confident	41 Å²	41	55.9 Å²	55.9	27%	0.266	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-47.6	137.3	168	-28.7	35.1	0	0	0	112	R174 P175 I263	P168-R174 CarbonylContact C-O 3.52Å; P168-P175 WeakPolarHBondContact CB-O 3.2Å; P168-I263 HydrophobicContact CG-CG2 4.32Å
169	N	76.3	Confident	76.5	Confident	61 Å²	61	50 Å²	50	33%	0.326	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-129.7	101.7	176.1	-173.4	-15.1	0	0	0	110	K167 H171 T172 R173 R174	K167-N169 PolarHBondContact O-N 3.37Å; N169-H171 PolarHBondContact O-N 3.45Å; N169-H171 WeakPolarHBondContact OD1-CA 3.42Å; N169-H171 VanDerWaalsContact OD1-CB 3.28Å; N169-H171 WeakPolarHBondContact OD1-CB 3.43Å; N169-H171 PolarHBondContact OD1-N 2.78Å; N169-T172 WeakPolarHBondContact CB-OG1 3.39Å; N169-T172 PolarHBondContact O-N 2.93Å; N169-T172 PolarHBondContact O-OG1 3.39Å; N169-T172 PolarHBondContact OD1-N 3.11Å; N169-R173 PolarHBondContact O-N 3.17Å; N169-R174 CarbonylContact C-O 3.33Å; N169-R174 PolarHBondContact N-O 2.88Å; N169-R174 PolarHBondContact O-N 3.32Å; N169-R174 VanDerWaalsContact O-N 3.07Å
170	L	69.3	Low	77	Confident	145 Å²	145	46.1 Å²	46.1	76%	0.759	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-61.7	-29.7	178.5	-65.1	172.3	0	0	0	112.2	T172 R173	L170-T172 VanDerWaalsContact C-N 3.33Å; L170-T172 PolarHBondContact O-N 3.15Å; L170-R173 PolarHBondContact O-N 3.42Å
171	H	69.3	Low	77.2	Confident	183 Å²	183	45.1 Å²	45.1	85%	0.847	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-68.6	-30.7	178.6	-62.2	-59.7	0	0	0	112.9	N169	N169-H171 PolarHBondContact O-N 3.45Å; N169-H171 WeakPolarHBondContact OD1-CA 3.42Å; N169-H171 VanDerWaalsContact OD1-CB 3.28Å; N169-H171 WeakPolarHBondContact OD1-CB 3.43Å; N169-H171 PolarHBondContact OD1-N 2.78Å
172	T	64.6	Low	77.4	Confident	68 Å²	68	44.3 Å²	44.3	42%	0.417	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-97.3	12.1	178.9	58.5	0	0	0	0	113.1	N169 L170 R174	N169-T172 WeakPolarHBondContact CB-OG1 3.39Å; N169-T172 PolarHBondContact O-N 2.93Å; N169-T172 PolarHBondContact O-OG1 3.39Å; N169-T172 PolarHBondContact OD1-N 3.11Å; L170-T172 VanDerWaalsContact C-N 3.33Å; L170-T172 PolarHBondContact O-N 3.15Å; T172-R174 PolarHBondContact O-N 2.63Å
173	R	67.2	Low	77.7	Confident	192 Å²	192	44.5 Å²	44.5	73%	0.725	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	38.1	-174.3	-59	-176.8	176.7	-175.2	-1.3	112.6	N169 L170 P175	N169-R173 PolarHBondContact O-N 3.17Å; L170-R173 PolarHBondContact O-N 3.42Å; R173-P175 WeakPolarHBondContact O-CD 3.29Å
174	R	72.6	Confident	77.6	Confident	19 Å²	19	49 Å²	49	7%	0.072	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-114.3	87.7	175.8	-71.7	-176.2	168.7	-149.2	-23.9	109	P168 N169 T172 Y176 H178 D239	P168-R174 CarbonylContact C-O 3.52Å; N169-R174 CarbonylContact C-O 3.33Å; N169-R174 PolarHBondContact N-O 2.88Å; N169-R174 PolarHBondContact O-N 3.32Å; N169-R174 VanDerWaalsContact O-N 3.07Å; T172-R174 PolarHBondContact O-N 2.63Å; R174-Y176 VanDerWaalsContact C-N 3.28Å; R174-Y176 PolarHBondContact O-N 2.96Å; R174-H178 PolarHBondContact NH1-CD2 2.85Å; R174-H178 PolarHBondContact NH1-NE2 3.34Å; R174-D239 IonicContact CZ-OD1 3.28Å; R174-D239 VanDerWaalsContact CZ-OD1 3.28Å; R174-D239 IonicContact CZ-OD2 3.52Å; R174-D239 IonicContact NE-OD1 2.81Å; R174-D239 IonicContact NE-OD2 3.29Å; R174-D239 PolarHBondContact NE-OD2 3.18Å; R174-D239 IonicContact NH1-OD1 3.62Å; R174-D239 IonicContact NH2-OD1 2.78Å; R174-D239 PolarHBondContact NH2-OD1 2.77Å; R174-D239 IonicContact NH2-OD2 3.45Å; R174-D239 PolarHBondContact NH2-OD2 3.44Å
175	P	76.4	Confident	77.5	Confident	31 Å²	31	57.7 Å²	57.7	20%	0.201	27%	0.268	C	S	.	.			trans	-83.7	-5.2	-170.2	36.8	-38	0	0	0	113.4	P168 R173 E258	P168-P175 WeakPolarHBondContact CB-O 3.2Å; R173-P175 WeakPolarHBondContact O-CD 3.29Å; P175-E258 WeakPolarHBondContact CB-OE1 3.41Å; P175-E258 WeakPolarHBondContact CG-OE1 3.44Å
176	Y	84.8	Confident	77.3	Confident	52 Å²	52	60.7 Å²	60.7	20%	0.204	29%	0.289	C	S	.	.	S	Bend	trans	-110.7	160.2	177.2	-9.8	-84.8	0	0	0	112.5	R174 H178 V230 V241 F252 E258	R174-Y176 VanDerWaalsContact C-N 3.28Å; R174-Y176 PolarHBondContact O-N 2.96Å; Y176-H178 PolarHBondContact O-ND1 3.44Å; Y176-V230 HydrophobicContact CD2-CG2 4.13Å; Y176-V230 HydrophobicContact CE2-CG2 3.75Å; Y176-V241 HydrophobicContact CD2-CG2 3.62Å; Y176-V241 HydrophobicContact CE2-CG2 4.35Å; Y176-V241 HydrophobicContact CG-CG1 4.1Å; Y176-V241 HydrophobicContact CG-CG2 3.81Å; Y176-F252 HydrophobicContact CD1-CE2 4.32Å; Y176-F252 HydrophobicContact CD1-CZ 4Å; Y176-F252 HydrophobicContact CE1-CE2 4.17Å; Y176-F252 AromaticContact CE1-CZ 3.89Å; Y176-F252 HydrophobicContact CE1-CZ 3.89Å; Y176-E258 HydrophobicContact CD1-CG 3.92Å; Y176-E258 HydrophobicContact CE1-CG 3.95Å
177	S	84.9	Confident	77	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.298	C	S	.	.			trans	-62.3	143.3	162.8	-50.4	0	0	0	0	109.8	A166 P242 L262 I263 S264	A166-S177 VanDerWaalsContact O-CA 3.26Å; A166-S177 WeakPolarHBondContact O-CA 3.27Å; S177-P242 WeakPolarHBondContact O-CD 3.43Å; S177-L262 VanDerWaalsContact CB-O 3.29Å; S177-L262 WeakPolarHBondContact CB-O 3.42Å; S177-L262 PolarHBondContact OG-O 3.22Å; S177-I263 VanDerWaalsContact OG-CA 3.28Å; S177-I263 WeakPolarHBondContact OG-CA 3.29Å; S177-S264 PolarHBondContact OG-N 3.41Å
178	H	84.1	Confident	76.7	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.056	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	159.6	-178.8	58	-78.9	0	0	0	111.3	W165 A166 R174 Y176 D239 V240	W165-H178 CarbonylContact C-O 3.41Å; W165-H178 WeakPolarHBondContact CA-O 3.39Å; A166-H178 PolarHBondContact N-O 3.17Å; A166-H178 PolarHBondContact O-N 2.8Å; R174-H178 PolarHBondContact NH1-CD2 2.85Å; R174-H178 PolarHBondContact NH1-NE2 3.34Å; Y176-H178 PolarHBondContact O-ND1 3.44Å; H178-D239 HydrophobicContact CB-CB 4.06Å; H178-V240 WeakPolarHBondContact CA-O 3.07Å
179	L	81.3	Confident	76.4	Confident	5 Å²	5	64 Å²	64	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.8	172.9	-69.6	170.5	0	0	0	111	L163 W165 T192 W194 P212 V240 M280	L163-L179 HydrophobicContact CD1-CB 4.44Å; L163-L179 HydrophobicContact CD2-CD2 4.29Å; L163-L179 HydrophobicContact CG-CD2 4.24Å; W165-L179 HydrophobicContact CD2-CD2 3.86Å; W165-L179 HydrophobicContact CE3-CD2 3.85Å; W165-L179 HydrophobicContact CE3-CG 4Å; W165-L179 HydrophobicContact CH2-CD1 4.19Å; W165-L179 HydrophobicContact CH2-CD2 3.78Å; W165-L179 HydrophobicContact CH2-CG 3.75Å; W165-L179 HydrophobicContact CZ2-CD2 3.79Å; W165-L179 HydrophobicContact CZ2-CG 4.28Å; W165-L179 HydrophobicContact CZ3-CD1 4.44Å; W165-L179 HydrophobicContact CZ3-CD2 3.81Å; W165-L179 HydrophobicContact CZ3-CG 3.59Å; L179-T192 HydrophobicContact CB-CG2 4.49Å; L179-T192 PolarHBondContact O-OG1 2.97Å; L179-W194 HydrophobicContact CD1-CH2 3.71Å; L179-W194 HydrophobicContact CD1-CZ2 4Å; L179-P212 HydrophobicContact CD2-CG 3.8Å; L179-V240 HydrophobicContact CD1-CB 4.03Å; L179-V240 HydrophobicContact CD1-CG1 4.11Å; L179-V240 HydrophobicContact CD1-CG2 4.48Å; L179-V240 HydrophobicContact CG-CB 4.48Å; L179-M280 HydrophobicContact CD1-CE 4.06Å; L179-M280 HydrophobicContact CD1-SD 3.47Å; L179-M280 WeakPolarHBondContact CD1-SD 3.43Å
180	A	78.9	Confident	76.2	Confident	1 Å²	1	62 Å²	62	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.8	173.8	0	0	0	0	0	110.9	F164 A166 I189 T192	F164-A180 HydrophobicContact CD1-CB 4.28Å; F164-A180 VanDerWaalsContact CD1-O 3.22Å; F164-A180 WeakPolarHBondContact CD1-O 3.41Å; F164-A180 HydrophobicContact CE1-CB 3.64Å; F164-A180 HydrophobicContact CZ-CB 4.1Å; F164-A180 PolarHBondContact N-O 2.98Å; F164-A180 PolarHBondContact O-N 3.4Å; A166-A180 HydrophobicContact CB-CB 3.99Å; A180-I189 HydrophobicContact CB-CG2 3.89Å; A180-T192 WeakPolarHBondContact CA-OG1 3.46Å; A180-T192 PolarHBondContact N-OG1 2.84Å
181	F	77.5	Confident	76.1	Confident	4 Å²	4	58 Å²	58	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.1	170.9	-73.8	-75.2	0	0	0	110.1	V150 P153 W161 V162 L163 I189 A190 T192	V150-F181 HydrophobicContact CG1-CE1 4.35Å; V150-F181 HydrophobicContact CG1-CE2 3.88Å; V150-F181 HydrophobicContact CG1-CZ 3.39Å; P153-F181 VanDerWaalsContact CD-CZ 3.49Å; P153-F181 HydrophobicContact CG-CD1 4.22Å; P153-F181 HydrophobicContact CG-CD2 3.61Å; P153-F181 HydrophobicContact CG-CE1 4.07Å; P153-F181 HydrophobicContact CG-CE2 3.43Å; P153-F181 VanDerWaalsContact CG-CE2 3.43Å; P153-F181 HydrophobicContact CG-CG 3.99Å; P153-F181 HydrophobicContact CG-CZ 3.66Å; W161-F181 HydrophobicContact CE3-CB 3.77Å; W161-F181 HydrophobicContact CZ3-CB 4.3Å; V162-F181 CarbonylContact O-C 3.44Å; V162-F181 VanDerWaalsContact O-CA 3.25Å; V162-F181 WeakPolarHBondContact O-CA 3.5Å; L163-F181 HydrophobicContact CB-CD1 4.42Å; L163-F181 HydrophobicContact CB-CE1 4.27Å; L163-F181 HydrophobicContact CD1-CD1 4.16Å; L163-F181 HydrophobicContact CD1-CE1 3.96Å; L163-F181 HydrophobicContact CD1-CE2 4.39Å; L163-F181 HydrophobicContact CD1-CG 4.47Å; L163-F181 HydrophobicContact CD1-CZ 4.11Å; F181-I189 CarbonylContact O-C 3.51Å; F181-I189 VanDerWaalsContact O-CA 3.23Å; F181-I189 WeakPolarHBondContact O-CA 3.09Å; F181-A190 HydrophobicContact CB-CB 4.14Å; F181-A190 PolarHBondContact N-O 2.83Å; F181-A190 PolarHBondContact O-N 3.05Å; F181-T192 HydrophobicContact CE2-CG2 4.1Å
182	L	77.3	Confident	75.9	Confident	6 Å²	6	50 Å²	50	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.3	174	168.5	73.9	0	0	0	109.2	W161 V162 F164 D188 I189 P268 L272	W161-L182 CarbonylContact C-O 3.42Å; W161-L182 WeakPolarHBondContact CA-O 3.43Å; V162-L182 HydrophobicContact CG2-CB 3.92Å; V162-L182 HydrophobicContact CG2-CD2 4.19Å; V162-L182 HydrophobicContact CG2-CG 4.33Å; V162-L182 WeakPolarHBondContact CG2-O 3.29Å; V162-L182 PolarHBondContact N-O 3Å; V162-L182 PolarHBondContact O-N 2.95Å; F164-L182 HydrophobicContact CD1-CB 3.64Å; F164-L182 HydrophobicContact CE1-CB 3.54Å; F164-L182 HydrophobicContact CZ-CB 4.32Å; L182-D188 CarbonylContact C-O 3.4Å; L182-D188 WeakPolarHBondContact CA-O 3.42Å; L182-I189 HydrophobicContact CD1-CG1 4.13Å; L182-P268 HydrophobicContact CD1-CB 4.21Å; L182-P268 WeakPolarHBondContact CD1-O 3.47Å; L182-P268 WeakPolarHBondContact CD2-O 3.38Å; L182-L272 HydrophobicContact CD2-CD2 4.44Å
183	N	79	Confident	75.7	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.043	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.7	167.8	-172.7	-52.9	0	0	0	109.2	Q160 W161 R185 S186 G187 D188	Q160-N183 CarbonylContact O-C 3.44Å; Q160-N183 VanDerWaalsContact O-CA 3.29Å; Q160-N183 WeakPolarHBondContact O-CA 3.47Å; W161-N183 HydrophobicContact CD2-CB 3.98Å; W161-N183 HydrophobicContact CE3-CB 3.87Å; W161-N183 HydrophobicContact CH2-CB 3.86Å; W161-N183 HydrophobicContact CZ2-CB 3.9Å; W161-N183 HydrophobicContact CZ3-CB 3.83Å; N183-R185 PolarHBondContact O-N 3Å; N183-R185 PolarHBondContact OD1-N 2.75Å; N183-S186 VanDerWaalsContact CB-OG 3.27Å; N183-S186 WeakPolarHBondContact CB-OG 3.47Å; N183-S186 PolarHBondContact OD1-N 3.05Å; N183-S186 PolarHBondContact OD1-OG 3.25Å; N183-G187 VanDerWaalsContact O-CA 3.27Å; N183-G187 WeakPolarHBondContact O-CA 3.37Å; N183-G187 PolarHBondContact O-N 2.94Å; N183-D188 HydrophobicContact CB-CB 4.15Å; N183-D188 PolarHBondContact N-O 3.48Å
184	E	74.9	Confident	75.6	Confident	96 Å²	96	44 Å²	44	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.1	-177.1	-65.1	-175.6	151.8	0	0	113.3	Q160 V162 L272	Q160-E184 PolarHBondContact O-N 3.02Å; V162-E184 HydrophobicContact CG1-CG 3.94Å; V162-E184 WeakPolarHBondContact CG1-OE1 3.45Å; V162-E184 HydrophobicContact CG2-CG 4.02Å; E184-L272 HydrophobicContact CG-CD2 3.71Å; E184-L272 VanDerWaalsContact OE1-CD1 3.25Å; E184-L272 WeakPolarHBondContact OE1-CD1 3.39Å; E184-L272 WeakPolarHBondContact OE1-CD2 3.23Å
185	R	77.5	Confident	74.8	Confident	189 Å²	189	47.3 Å²	47.3	71%	0.713	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-45.5	-178.3	-67.7	-160.7	-173	176.8	1.8	113.1	Q160 N183	Q160-R185 VanDerWaalsContact CD-CD 3.41Å; Q160-R185 HydrophobicContact CG-CG 4.06Å; Q160-R185 VanDerWaalsContact NE2-CZ 3.34Å; N183-R185 PolarHBondContact O-N 3Å; N183-R185 PolarHBondContact OD1-N 2.75Å
186	S	80	Confident	73.9	Confident	64 Å²	64	48.6 Å²	48.6	45%	0.448	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.1	-176.5	64.1	0	0	0	0	113.4	N183 D188	N183-S186 VanDerWaalsContact CB-OG 3.27Å; N183-S186 WeakPolarHBondContact CB-OG 3.47Å; N183-S186 PolarHBondContact OD1-N 3.05Å; N183-S186 PolarHBondContact OD1-OG 3.25Å; S186-D188 VanDerWaalsContact CB-OD2 3.23Å; S186-D188 WeakPolarHBondContact CB-OD2 3.39Å; S186-D188 PolarHBondContact O-N 2.84Å; S186-D188 WeakPolarHBondContact OG-CB 3.34Å; S186-D188 PolarHBondContact OG-N 2.78Å; S186-D188 PolarHBondContact OG-OD2 3.45Å
187	G	76.7	Confident	72.8	Confident	26 Å²	26	51.3 Å²	51.3	27%	0.268	26%	0.264	S	S	.	.			trans	75.7	5.6	-170.4	0	0	0	0	0	113.6	N183	N183-G187 VanDerWaalsContact O-CA 3.27Å; N183-G187 WeakPolarHBondContact O-CA 3.37Å; N183-G187 PolarHBondContact O-N 2.94Å
188	D	77.1	Confident	71.7	Confident	93 Å²	93	51.4 Å²	51.4	50%	0.497	27%	0.265	S	S	.	.			trans	-68.3	143.4	-179	-66.7	-38.2	0	0	0	111.7	W161 L182 N183 S186	W161-D188 HydrophobicContact CH2-CB 3.96Å; W161-D188 WeakPolarHBondContact CZ3-O 3.33Å; L182-D188 CarbonylContact C-O 3.4Å; L182-D188 WeakPolarHBondContact CA-O 3.42Å; N183-D188 HydrophobicContact CB-CB 4.15Å; N183-D188 PolarHBondContact N-O 3.48Å; S186-D188 VanDerWaalsContact CB-OD2 3.23Å; S186-D188 WeakPolarHBondContact CB-OD2 3.39Å; S186-D188 PolarHBondContact O-N 2.84Å; S186-D188 WeakPolarHBondContact OG-CB 3.34Å; S186-D188 PolarHBondContact OG-N 2.78Å; S186-D188 PolarHBondContact OG-OD2 3.45Å
189	I	75.1	Confident	70.2	Confident	90 Å²	90	52.4 Å²	52.4	46%	0.462	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	176.4	-62.1	169.1	0	0	0	109.7	F164 A180 F181 L182 P268	F164-I189 HydrophobicContact CE1-CG1 4.48Å; F164-I189 HydrophobicContact CE1-CG2 4.35Å; F164-I189 HydrophobicContact CZ-CD1 4.1Å; F164-I189 HydrophobicContact CZ-CG1 4.2Å; F164-I189 HydrophobicContact CZ-CG2 4.37Å; A180-I189 HydrophobicContact CB-CG2 3.89Å; F181-I189 CarbonylContact O-C 3.51Å; F181-I189 VanDerWaalsContact O-CA 3.23Å; F181-I189 WeakPolarHBondContact O-CA 3.09Å; L182-I189 HydrophobicContact CD1-CG1 4.13Å; I189-P268 HydrophobicContact CD1-CB 4Å; I189-P268 HydrophobicContact CD1-CG 3.83Å
190	A	71.1	Confident	68.8	Low	18 Å²	18	57.2 Å²	57.2	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	152.7	173.1	0	0	0	0	0	111.2	I155 W161 F181	I155-A190 HydrophobicContact CD1-CB 3.71Å; W161-A190 HydrophobicContact CE3-CB 4.18Å; W161-A190 HydrophobicContact CH2-CB 3.75Å; W161-A190 HydrophobicContact CZ3-CB 3.45Å; W161-A190 VanDerWaalsContact CZ3-CB 3.45Å; F181-A190 HydrophobicContact CB-CB 4.14Å; F181-A190 PolarHBondContact N-O 2.83Å; F181-A190 PolarHBondContact O-N 3.05Å
191	K	67.4	Low	67.6	Low	60 Å²	60	62.8 Å²	62.8	26%	0.261	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.7	177.6	-63.7	-174.6	-175.4	-178.5	0	111.2	F193 H237	K191-F193 VanDerWaalsContact O-CD2 3.27Å; K191-F193 WeakPolarHBondContact O-CD2 3.12Å; K191-F193 VanDerWaalsContact O-CE2 3.31Å; K191-F193 WeakPolarHBondContact O-CE2 3.12Å; K191-H237 PolarHBondContact NZ-CD2 3.29Å; K191-H237 PolarHBondContact NZ-NE2 3.35Å
192	T	65.7	Low	66.7	Low	16 Å²	16	63.9 Å²	63.9	10%	0.098	34%	0.341	C	S	.	.			trans	-73.9	133.9	175.4	-48.5	0	0	0	0	111.2	V150 L163 L179 A180 F181 W194	V150-T192 HydrophobicContact CB-CG2 4.2Å; V150-T192 HydrophobicContact CG1-CG2 3.43Å; V150-T192 VanDerWaalsContact CG1-CG2 3.43Å; V150-T192 HydrophobicContact CG2-CG2 3.72Å; L163-T192 HydrophobicContact CD1-CG2 4.19Å; L179-T192 HydrophobicContact CB-CG2 4.49Å; L179-T192 PolarHBondContact O-OG1 2.97Å; A180-T192 WeakPolarHBondContact CA-OG1 3.46Å; A180-T192 PolarHBondContact N-OG1 2.84Å; F181-T192 HydrophobicContact CE2-CG2 4.1Å; T192-W194 HydrophobicContact CG2-CH2 4.37Å; T192-W194 HydrophobicContact CG2-CZ2 3.93Å
193	F	60.6	Low	66.1	Low	107 Å²	107	67.4 Å²	67.4	47%	0.469	36%	0.364	S	S	.	.			trans	-111.5	131.2	174.7	-63.4	-85.6	0	0	0	110.3	K151 K191	K151-F193 PolarHBondContact N-O 3.14Å; K191-F193 VanDerWaalsContact O-CD2 3.27Å; K191-F193 WeakPolarHBondContact O-CD2 3.12Å; K191-F193 VanDerWaalsContact O-CE2 3.31Å; K191-F193 WeakPolarHBondContact O-CE2 3.12Å
194	W	65.2	Low	65.2	Low	26 Å²	26	67.6 Å²	67.6	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.1	-175.6	-59.8	98	0	0	0	111.1	H148 V150 L179 T192 P196 T197 L198 V240 M280 I282	H148-W194 HydrophobicContact CB-CE3 4.27Å; V150-W194 HydrophobicContact CB-CZ3 4.41Å; V150-W194 HydrophobicContact CG2-CD2 4.5Å; V150-W194 HydrophobicContact CG2-CE3 3.79Å; V150-W194 HydrophobicContact CG2-CH2 3.36Å; V150-W194 HydrophobicContact CG2-CZ2 4.18Å; V150-W194 HydrophobicContact CG2-CZ3 3.15Å; L179-W194 HydrophobicContact CD1-CH2 3.71Å; L179-W194 HydrophobicContact CD1-CZ2 4Å; T192-W194 HydrophobicContact CG2-CH2 4.37Å; T192-W194 HydrophobicContact CG2-CZ2 3.93Å; W194-P196 CarbonylContact C-O 3.55Å; W194-P196 CarbonylContact O-C 3.47Å; W194-T197 WeakPolarHBondContact O-CA 3.14Å; W194-T197 PolarHBondContact O-N 2.84Å; W194-L198 HydrophobicContact CB-CD1 4.45Å; W194-L198 HydrophobicContact CB-CG 3.81Å; W194-L198 HydrophobicContact CD2-CD1 3.66Å; W194-L198 HydrophobicContact CD2-CD2 4.15Å; W194-L198 HydrophobicContact CD2-CG 3.79Å; W194-L198 HydrophobicContact CE3-CD1 4.49Å; W194-L198 HydrophobicContact CE3-CD2 4.31Å; W194-L198 HydrophobicContact CE3-CG 4.43Å; W194-L198 HydrophobicContact CG-CD1 3.58Å; W194-L198 HydrophobicContact CG-CD2 4.23Å; W194-L198 HydrophobicContact CG-CG 3.45Å; W194-L198 VanDerWaalsContact CG-CG 3.45Å; W194-L198 HydrophobicContact CZ2-CD1 4.41Å; W194-L198 VanDerWaalsContact NE1-CD1 3.32Å; W194-V240 HydrophobicContact CH2-CG2 3.71Å; W194-V240 HydrophobicContact CZ2-CB 4.18Å; W194-V240 HydrophobicContact CZ2-CG2 3.22Å; W194-M280 HydrophobicContact CH2-CE 3.11Å; W194-M280 HydrophobicContact CH2-SD 3.9Å; W194-M280 HydrophobicContact CZ2-CE 4.28Å; W194-M280 HydrophobicContact CZ3-CB 4.47Å; W194-M280 HydrophobicContact CZ3-CE 3.35Å; W194-M280 HydrophobicContact CZ3-SD 4.29Å; W194-I282 HydrophobicContact CD2-CD1 4.35Å; W194-I282 HydrophobicContact CE3-CD1 3.63Å; W194-I282 HydrophobicContact CH2-CD1 3.87Å; W194-I282 HydrophobicContact CZ3-CD1 3.34Å; W194-I282 HydrophobicContact CZ3-CG1 4.24Å
195	H	54.9	Low	64.6	Low	89 Å²	89	63.5 Å²	63.5	41%	0.412	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	120.1	174.6	-170.1	77.2	0	0	0	112.5	V149 K151	V149-H195 PolarHBondContact N-O 2.79Å; V149-H195 PolarHBondContact O-N 3.07Å; K151-H195 HydrophobicContact CB-CB 3.79Å; K151-H195 HydrophobicContact CD-CB 3.44Å; K151-H195 VanDerWaalsContact CD-CB 3.44Å; K151-H195 VanDerWaalsContact CD-CG 3.4Å; K151-H195 WeakPolarHBondContact CE-CD2 3.25Å; K151-H195 VanDerWaalsContact CE-CG 3.42Å; K151-H195 HydrophobicContact CG-CB 3.54Å; K151-H195 PolarHBondContact NZ-CD2 3.38Å; K151-H195 PolarHBondContact NZ-CE1 3.17Å; K151-H195 PolarHBondContact NZ-NE2 3.22Å
196	P	57.1	Low	64.1	Low	59 Å²	59	54.5 Å²	54.5	38%	0.383	31%	0.311	S	S	.	.	S	Bend	cis	-57.3	155.5	-9.5	26.1	-34.1	0	0	0	111.2	T146 E147 H148 W194 L198	T146-P196 HydrophobicContact CG2-CG 3.93Å; E147-P196 WeakPolarHBondContact O-CD 3.49Å; H148-P196 PolarHBondContact ND1-O 3.28Å; W194-P196 CarbonylContact C-O 3.55Å; W194-P196 CarbonylContact O-C 3.47Å; P196-L198 PolarHBondContact O-N 3.35Å
197	T	61.7	Low	63.6	Low	108 Å²	108	53.8 Å²	53.8	66%	0.663	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-52	139.5	179	-50.6	0	0	0	0	109.9	W194	W194-T197 WeakPolarHBondContact O-CA 3.14Å; W194-T197 PolarHBondContact O-N 2.84Å
198	L	62.2	Low	63.4	Low	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-56	137.8	175.7	-69.9	173.8	0	0	0	109.8	H148 W194 P196 Y204 V229 F238 V240 I282	H148-L198 HydrophobicContact CB-CD2 4.05Å; W194-L198 HydrophobicContact CB-CD1 4.45Å; W194-L198 HydrophobicContact CB-CG 3.81Å; W194-L198 HydrophobicContact CD2-CD1 3.66Å; W194-L198 HydrophobicContact CD2-CD2 4.15Å; W194-L198 HydrophobicContact CD2-CG 3.79Å; W194-L198 HydrophobicContact CE3-CD1 4.49Å; W194-L198 HydrophobicContact CE3-CD2 4.31Å; W194-L198 HydrophobicContact CE3-CG 4.43Å; W194-L198 HydrophobicContact CG-CD1 3.58Å; W194-L198 HydrophobicContact CG-CD2 4.23Å; W194-L198 HydrophobicContact CG-CG 3.45Å; W194-L198 VanDerWaalsContact CG-CG 3.45Å; W194-L198 HydrophobicContact CZ2-CD1 4.41Å; W194-L198 VanDerWaalsContact NE1-CD1 3.32Å; P196-L198 PolarHBondContact O-N 3.35Å; L198-Y204 WeakPolarHBondContact CD2-OH 3.18Å; L198-V229 HydrophobicContact CD1-CG1 3.96Å; L198-V229 HydrophobicContact CD1-CG2 4.15Å; L198-F238 HydrophobicContact CB-CB 4.32Å; L198-F238 HydrophobicContact CB-CD2 4.18Å; L198-F238 HydrophobicContact CB-CG 4.26Å; L198-F238 HydrophobicContact CD1-CB 3.7Å; L198-F238 HydrophobicContact CD1-CG 4.49Å; L198-V240 HydrophobicContact CD1-CG2 4.44Å; L198-I282 HydrophobicContact CD2-CD1 3.45Å; L198-I282 VanDerWaalsContact CD2-CD1 3.45Å; L198-I282 HydrophobicContact CD2-CG2 4.39Å
199	P	52.9	Low	63	Low	32 Å²	32	53.1 Å²	53.1	21%	0.208	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-56.1	143.8	177.5	19.9	-31.7	0	0	0	110.7	H148 I201 Y204	H148-P199 VanDerWaalsContact CE1-CD 3.43Å; H148-P199 WeakPolarHBondContact CE1-CD 3.22Å; P199-I201 PolarHBondContact O-N 3.05Å; P199-Y204 VanDerWaalsContact CD-OH 3.29Å; P199-Y204 WeakPolarHBondContact CD-OH 3.42Å; P199-Y204 HydrophobicContact CG-CE1 4.12Å; P199-Y204 WeakPolarHBondContact CG-OH 3.45Å
200	T	52.3	Low	62.6	Low	107 Å²	107	53.6 Å²	53.6	66%	0.656	29%	0.287	S	S	*	.	S	Bend	trans	-72.3	10.5	-174.2	58.1	0	0	0	0	114.6
201	I	53.1	Low	62.7	Low	118 Å²	118	53.7 Å²	53.7	61%	0.605	29%	0.287	S	S	*	.			trans	-116.7	90.7	-176	-53.5	174.4	0	0	0	107.1	P199 Y204	P199-I201 PolarHBondContact O-N 3.05Å; I201-Y204 WeakPolarHBondContact O-CD1 3.47Å; I201-Y204 WeakPolarHBondContact O-CE1 3.5Å
202	A	58.9	Low	63.1	Low	27 Å²	27	51 Å²	51	22%	0.223	28%	0.276	C	S	.	.			trans	-108.5	156.2	171.2	0	0	0	0	0	109.4	Y204 V229 E231 F238	A202-Y204 HydrophobicContact CB-CE1 4.45Å; A202-V229 HydrophobicContact CB-CG1 4.24Å; A202-E231 HydrophobicContact CB-CB 4.4Å; A202-F238 HydrophobicContact CB-CD1 3.82Å; A202-F238 HydrophobicContact CB-CE1 3.7Å
203	P	64.2	Low	63.8	Low	80 Å²	80	55.4 Å²	55.4	52%	0.519	30%	0.295	S	S	.	.			cis	-92.8	152.2	5.5	38.7	-37.1	0	0	0	114.6	V228 V229 V230 L253	P203-V228 HydrophobicContact CB-CG1 4.01Å; P203-V229 WeakPolarHBondContact CA-O 3.44Å; P203-V229 WeakPolarHBondContact CB-O 3.34Å; P203-V230 HydrophobicContact CB-CG1 4.29Å; P203-L253 HydrophobicContact CB-CD2 3.46Å; P203-L253 VanDerWaalsContact CB-CD2 3.46Å; P203-L253 HydrophobicContact CG-CD2 3.53Å
204	Y	61.3	Low	64.8	Low	11 Å²	11	50.3 Å²	50.3	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.5	175.4	57.5	-87.4	0	0	0	112.8	L198 P199 I201 A202 V206 V228 V229 I282 R284	L198-Y204 WeakPolarHBondContact CD2-OH 3.18Å; P199-Y204 VanDerWaalsContact CD-OH 3.29Å; P199-Y204 WeakPolarHBondContact CD-OH 3.42Å; P199-Y204 HydrophobicContact CG-CE1 4.12Å; P199-Y204 WeakPolarHBondContact CG-OH 3.45Å; I201-Y204 WeakPolarHBondContact O-CD1 3.47Å; I201-Y204 WeakPolarHBondContact O-CE1 3.5Å; A202-Y204 HydrophobicContact CB-CE1 4.45Å; Y204-V206 HydrophobicContact CD2-CG1 3.5Å; Y204-V206 VanDerWaalsContact CD2-CG1 3.5Å; Y204-V206 HydrophobicContact CE2-CG1 3.37Å; Y204-V228 WeakPolarHBondContact O-CA 3.28Å; Y204-V229 HydrophobicContact CD1-CB 4.22Å; Y204-V229 HydrophobicContact CD2-CB 4.31Å; Y204-V229 HydrophobicContact CD2-CG2 4.35Å; Y204-V229 HydrophobicContact CE1-CB 3.8Å; Y204-V229 HydrophobicContact CE1-CG1 3.75Å; Y204-V229 HydrophobicContact CE1-CG2 4.39Å; Y204-V229 HydrophobicContact CE2-CB 3.91Å; Y204-V229 HydrophobicContact CE2-CG2 3.69Å; Y204-V229 HydrophobicContact CG-CB 4.45Å; Y204-V229 PolarHBondContact N-O 3.33Å; Y204-V229 PolarHBondContact O-N 2.83Å; Y204-I282 HydrophobicContact CE2-CG2 4.48Å; Y204-R284 HydrophobicContact CD2-CG 4.3Å
205	I	62.6	Low	65.6	Low	10 Å²	10	52.1 Å²	52.1	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.7	177.4	-51.9	-174.8	0	0	0	110.2	Y226 A227 A249 Y250 L253 L285	I205-Y226 HydrophobicContact CG2-CD1 4.44Å; I205-A227 WeakPolarHBondContact CA-O 2.88Å; I205-A249 HydrophobicContact CD1-CB 4.1Å; I205-A249 HydrophobicContact CG1-CB 4.18Å; I205-A249 HydrophobicContact CG2-CB 3.98Å; I205-Y250 HydrophobicContact CD1-CD2 4.23Å; I205-L253 HydrophobicContact CB-CD1 4.48Å; I205-L253 HydrophobicContact CD1-CD1 3.84Å; I205-L253 HydrophobicContact CG1-CD1 3.2Å; I205-L253 HydrophobicContact CG1-CG 4.38Å; I205-L285 HydrophobicContact CB-CD1 4.46Å; I205-L285 HydrophobicContact CG2-CD1 4.33Å
206	V	66.7	Low	66.8	Low	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.2	175.2	-56.5	0	0	0	0	110.6	Y204 L208 Y226 A227 V229 V240 I282 K283	Y204-V206 HydrophobicContact CD2-CG1 3.5Å; Y204-V206 VanDerWaalsContact CD2-CG1 3.5Å; Y204-V206 HydrophobicContact CE2-CG1 3.37Å; V206-L208 HydrophobicContact CG2-CD2 3.76Å; V206-Y226 WeakPolarHBondContact O-CA 3.3Å; V206-A227 HydrophobicContact CG2-CB 3.79Å; V206-A227 WeakPolarHBondContact CG2-O 3.29Å; V206-A227 PolarHBondContact N-O 2.74Å; V206-A227 PolarHBondContact O-N 3.38Å; V206-V229 HydrophobicContact CG1-CG2 3.58Å; V206-V229 HydrophobicContact CG2-CG2 4.2Å; V206-V240 HydrophobicContact CG2-CG1 4.48Å; V206-I282 HydrophobicContact CB-CB 4.42Å; V206-I282 HydrophobicContact CB-CG1 4.38Å; V206-I282 HydrophobicContact CB-CG2 3.79Å; V206-I282 HydrophobicContact CG1-CG2 3.43Å; V206-I282 VanDerWaalsContact CG1-CG2 3.43Å; V206-K283 WeakPolarHBondContact CA-O 3.45Å
207	E	69.3	Low	67.7	Low	49 Å²	49	50.1 Å²	50.1	23%	0.229	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.9	161.4	-168	-174.7	137.9	0	0	108	R209 F225 Y226 L281 I282 K283	E207-R209 IonicContact OE1-NE 3.45Å; E207-F225 CarbonylContact C-O 3.53Å; E207-F225 WeakPolarHBondContact CA-O 3.5Å; E207-Y226 HydrophobicContact CB-CE1 4.46Å; E207-Y226 HydrophobicContact CG-CE1 4.4Å; E207-L281 CarbonylContact C-O 3.39Å; E207-I282 WeakPolarHBondContact O-CA 3.26Å; E207-K283 HydrophobicContact CB-CB 3.94Å; E207-K283 HydrophobicContact CB-CD 4.47Å; E207-K283 HydrophobicContact CB-CG 4.16Å; E207-K283 PolarHBondContact O-N 2.7Å; E207-K283 IonicContact OE1-NZ 3.8Å; E207-K283 PolarHBondContact OE1-NZ 2.71Å; E207-K283 VanDerWaalsContact OE2-CD 3.24Å; E207-K283 WeakPolarHBondContact OE2-CD 3.49Å; E207-K283 WeakPolarHBondContact OE2-CE 3.4Å; E207-K283 IonicContact OE2-NZ 2.71Å; E207-K283 PolarHBondContact OE2-NZ 2.88Å
208	L	71.9	Confident	68.5	Low	3 Å²	3	52.9 Å²	52.9	2%	0.016	28%	0.28	C	S	.	.			trans	-112.1	133.4	177	-57.1	-166	0	0	0	109.4	W165 V206 A211 V224 F225 A227 V240 M280	W165-L208 HydrophobicContact CH2-CD1 3.87Å; W165-L208 HydrophobicContact CZ2-CD1 3.92Å; V206-L208 HydrophobicContact CG2-CD2 3.76Å; L208-A211 HydrophobicContact CB-CB 4.13Å; L208-A211 HydrophobicContact CD1-CB 3.87Å; L208-V224 WeakPolarHBondContact CB-O 3.08Å; L208-V224 HydrophobicContact CD1-CB 4.3Å; L208-V224 HydrophobicContact CD1-CG1 3.72Å; L208-F225 PolarHBondContact N-O 3.38Å; L208-A227 HydrophobicContact CD1-CB 3.81Å; L208-A227 HydrophobicContact CD2-CB 4.1Å; L208-A227 HydrophobicContact CG-CB 4Å; L208-V240 HydrophobicContact CD1-CG1 4.48Å; L208-V240 HydrophobicContact CD2-CG1 4.25Å; L208-M280 HydrophobicContact CD1-SD 4.27Å; L208-M280 HydrophobicContact CD2-CE 3.18Å; L208-M280 HydrophobicContact CD2-CG 4.18Å; L208-M280 HydrophobicContact CD2-SD 3.64Å; L208-M280 HydrophobicContact CG-CE 4.46Å; L208-M280 HydrophobicContact CG-SD 4.42Å
209	R	68.7	Low	68.9	Low	103 Å²	103	58.4 Å²	58.4	39%	0.389	31%	0.309	S	S	.	.	S	Bend	trans	-114.2	141.3	165.8	-65.4	-172.8	172.6	-173.6	-10.4	109.3	E207 A211 M280 L281	E207-R209 IonicContact OE1-NE 3.45Å; R209-A211 PolarHBondContact O-N 2.81Å; R209-A211 VanDerWaalsContact O-N 3.15Å; R209-M280 VanDerWaalsContact O-CA 3.27Å; R209-M280 WeakPolarHBondContact O-CA 3.48Å; R209-L281 HydrophobicContact CB-CB 3.98Å; R209-L281 HydrophobicContact CG-CB 4.13Å
210	N	67.3	Low	70.1	Confident	100 Å²	100	65.4 Å²	65.4	54%	0.535	33%	0.331	S	S	.	.	S	Bend	trans	56.8	24.7	178.5	-53.4	-38.5	0	0	0	115.4	T278 S279	N210-T278 WeakPolarHBondContact O-CG2 3.4Å; N210-S279 PolarHBondContact ND2-O 3.23Å; N210-S279 PolarHBondContact ND2-OG 2.93Å
211	A	73.1	Confident	71.4	Confident	19 Å²	19	62.9 Å²	62.9	16%	0.157	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61.9	150	174.4	0	0	0	0	0	110.9	W165 L208 R209 V224	W165-A211 HydrophobicContact CZ2-CB 4.15Å; L208-A211 HydrophobicContact CB-CB 4.13Å; L208-A211 HydrophobicContact CD1-CB 3.87Å; R209-A211 PolarHBondContact O-N 2.81Å; R209-A211 VanDerWaalsContact O-N 3.15Å; A211-V224 HydrophobicContact CB-CB 4.49Å
212	P	75.8	Confident	72.8	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.026	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-59.1	148.6	171.8	24.6	-30.7	0	0	0	109.8	L163 W165 L179 L214	L163-P212 HydrophobicContact CD2-CG 4.4Å; L163-P212 HydrophobicContact CG-CG 4.27Å; L163-P212 WeakPolarHBondContact O-CB 3.45Å; W165-P212 PolarHBondContact NE1-O 2.72Å; L179-P212 HydrophobicContact CD2-CG 3.8Å; P212-L214 PolarHBondContact O-N 2.78Å
213	Q	81.1	Confident	73.9	Confident	108 Å²	108	61.6 Å²	61.6	51%	0.505	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-64	137.6	173	-71.8	-173.2	-31	0	0	109.9	A221 V222 D223	Q213-A221 HydrophobicContact CB-CB 4.35Å; Q213-V222 WeakPolarHBondContact CA-O 3.3Å; Q213-D223 VanDerWaalsContact CG-OD1 3.31Å; Q213-D223 WeakPolarHBondContact CG-OD1 3.26Å; Q213-D223 PolarHBondContact NE2-OD1 2.74Å
214	L	81	Confident	74.7	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.3	175.7	-175	145	0	0	0	109	W165 P212 L216 A221 V222 V224 P242 L262	W165-L214 HydrophobicContact CB-CD1 4.14Å; W165-L214 HydrophobicContact CB-CG 4.39Å; W165-L214 HydrophobicContact CD2-CD1 4.07Å; W165-L214 HydrophobicContact CG-CB 4.15Å; W165-L214 HydrophobicContact CG-CD1 3.85Å; W165-L214 HydrophobicContact CG-CG 4.21Å; P212-L214 PolarHBondContact O-N 2.78Å; L214-L216 HydrophobicContact CD2-CD2 3.35Å; L214-L216 HydrophobicContact CD2-CG 3.94Å; L214-A221 WeakPolarHBondContact O-CA 3.08Å; L214-V222 HydrophobicContact CB-CG2 4.05Å; L214-V222 HydrophobicContact CD2-CG2 4.06Å; L214-V222 PolarHBondContact N-O 2.72Å; L214-V222 WeakPolarHBondContact O-CG2 3.44Å; L214-V222 PolarHBondContact O-N 2.82Å; L214-V224 HydrophobicContact CB-CG2 3.62Å; L214-V224 HydrophobicContact CD1-CG2 4.32Å; L214-P242 HydrophobicContact CD1-CB 3.84Å; L214-P242 HydrophobicContact CD1-CG 3.49Å; L214-P242 VanDerWaalsContact CD1-CG 3.49Å; L214-L262 HydrophobicContact CD1-CB 3.83Å; L214-L262 HydrophobicContact CD2-CB 4.04Å
215	K	81.7	Confident	75.7	Confident	65 Å²	65	63.3 Å²	63.3	28%	0.283	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.7	176.8	-164.4	178.4	-179	-161.8	0	109.8	D219 Q265 V266	K215-D219 WeakPolarHBondContact CE-OD1 3.3Å; K215-D219 IonicContact NZ-OD1 3.47Å; K215-D219 PolarHBondContact NZ-OD1 2.81Å; K215-Q265 PolarHBondContact O-N 2.75Å; K215-V266 HydrophobicContact CB-CG2 3.69Å
216	L	80.9	Confident	76.6	Confident	34 Å²	34	66.1 Å²	66.1	18%	0.178	32%	0.323	C	S	.	.			trans	-80.8	165.4	-178.5	-68.5	176.8	0	0	0	112.8	L214 H218 D219 R220 V222 L262	L214-L216 HydrophobicContact CD2-CD2 3.35Å; L214-L216 HydrophobicContact CD2-CG 3.94Å; L216-H218 PolarHBondContact O-N 3.03Å; L216-D219 PolarHBondContact O-N 3.49Å; L216-R220 PolarHBondContact N-O 2.85Å; L216-V222 HydrophobicContact CD1-CB 4.41Å; L216-V222 HydrophobicContact CD1-CG1 3.5Å; L216-V222 HydrophobicContact CD1-CG2 3.97Å; L216-V222 HydrophobicContact CD2-CG2 4.31Å; L216-V222 HydrophobicContact CG-CG1 4.21Å; L216-V222 HydrophobicContact CG-CG2 3.93Å; L216-L262 HydrophobicContact CD2-CD2 4.18Å
217	P	75.5	Confident	77.4	Confident	71 Å²	71	66.1 Å²	66.1	46%	0.461	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-28.9	171.7	-32.6	37.2	0	0	0	116.7	Q265	P217-Q265 VanDerWaalsContact CA-CG 3.4Å; P217-Q265 HydrophobicContact CB-CG 4.33Å; P217-Q265 HydrophobicContact CG-CG 4.22Å
218	H	77.7	Confident	77.9	Confident	167 Å²	167	63.8 Å²	63.8	77%	0.773	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	24.5	-177.3	-54.1	-58.7	0	0	0	113.6	L216 R220	L216-H218 PolarHBondContact O-N 3.03Å; H218-R220 PolarHBondContact O-N 3.05Å
219	D	70.5	Confident	78.2	Confident	119 Å²	119	63.6 Å²	63.6	64%	0.636	31%	0.312	S	S	*	.	S	Bend	trans	58.8	9.4	-175.1	-81.4	-36.3	0	0	0	115.5	K215 L216	K215-D219 WeakPolarHBondContact CE-OD1 3.3Å; K215-D219 IonicContact NZ-OD1 3.47Å; K215-D219 PolarHBondContact NZ-OD1 2.81Å; L216-D219 PolarHBondContact O-N 3.49Å
220	R	77.5	Confident	78.5	Confident	178 Å²	178	59.2 Å²	59.2	67%	0.672	30%	0.296	S	S	*	.			trans	-80.8	124.5	176.6	-171.8	176.9	178.7	-178.2	-0.7	110.4	L216 H218 V222	L216-R220 PolarHBondContact N-O 2.85Å; H218-R220 PolarHBondContact O-N 3.05Å; R220-V222 HydrophobicContact CG-CG1 4.27Å
221	A	80.2	Confident	78.7	Confident	54 Å²	54	58.9 Å²	58.9	45%	0.446	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.1	167.7	0	0	0	0	0	109.9	Q213 L214	Q213-A221 HydrophobicContact CB-CB 4.35Å; L214-A221 WeakPolarHBondContact O-CA 3.08Å
222	V	82.5	Confident	78.3	Confident	29 Å²	29	58.3 Å²	58.3	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.7	176.5	-63	0	0	0	0	110.9	Q213 L214 L216 R220 L262	Q213-V222 WeakPolarHBondContact CA-O 3.3Å; L214-V222 HydrophobicContact CB-CG2 4.05Å; L214-V222 HydrophobicContact CD2-CG2 4.06Å; L214-V222 PolarHBondContact N-O 2.72Å; L214-V222 WeakPolarHBondContact O-CG2 3.44Å; L214-V222 PolarHBondContact O-N 2.82Å; L216-V222 HydrophobicContact CD1-CB 4.41Å; L216-V222 HydrophobicContact CD1-CG1 3.5Å; L216-V222 HydrophobicContact CD1-CG2 3.97Å; L216-V222 HydrophobicContact CD2-CG2 4.31Å; L216-V222 HydrophobicContact CG-CG1 4.21Å; L216-V222 HydrophobicContact CG-CG2 3.93Å; R220-V222 HydrophobicContact CG-CG1 4.27Å; V222-L262 HydrophobicContact CG2-CD1 4.34Å
223	D	82.8	Confident	77.3	Confident	89 Å²	89	65 Å²	65	48%	0.476	32%	0.322	S	S	.	.			trans	-75.9	132.9	170.6	-60.3	-44.5	0	0	0	109.3	Q213 F225	Q213-D223 VanDerWaalsContact CG-OD1 3.31Å; Q213-D223 WeakPolarHBondContact CG-OD1 3.26Å; Q213-D223 PolarHBondContact NE2-OD1 2.74Å; D223-F225 HydrophobicContact CB-CD2 4.45Å; D223-F225 HydrophobicContact CB-CE1 4.38Å; D223-F225 HydrophobicContact CB-CE2 3.67Å; D223-F225 HydrophobicContact CB-CZ 3.63Å
224	V	81.3	Confident	75.5	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.03	33%	0.325	C	S	.	.			trans	-102.2	109.8	178.8	-173.6	0	0	0	0	109	W165 L208 A211 L214 Y226 P242 L262	W165-V224 HydrophobicContact CH2-CG1 4.3Å; W165-V224 HydrophobicContact CZ2-CB 3.87Å; W165-V224 HydrophobicContact CZ2-CG1 3.87Å; W165-V224 HydrophobicContact CZ2-CG2 3.96Å; L208-V224 WeakPolarHBondContact CB-O 3.08Å; L208-V224 HydrophobicContact CD1-CB 4.3Å; L208-V224 HydrophobicContact CD1-CG1 3.72Å; A211-V224 HydrophobicContact CB-CB 4.49Å; L214-V224 HydrophobicContact CB-CG2 3.62Å; L214-V224 HydrophobicContact CD1-CG2 4.32Å; V224-Y226 WeakPolarHBondContact CG1-O 3.28Å; V224-P242 HydrophobicContact CG1-CB 3.62Å; V224-P242 HydrophobicContact CG2-CB 4.15Å; V224-L262 HydrophobicContact CG2-CD1 4.22Å
225	F	82.1	Confident	73.9	Confident	122 Å²	122	72.7 Å²	72.7	54%	0.535	36%	0.356	S	S	.	.			trans	-98.9	-20.4	179.2	-60.6	-72.8	0	0	0	113.7	E207 L208 D223	E207-F225 CarbonylContact C-O 3.53Å; E207-F225 WeakPolarHBondContact CA-O 3.5Å; L208-F225 PolarHBondContact N-O 3.38Å; D223-F225 HydrophobicContact CB-CD2 4.45Å; D223-F225 HydrophobicContact CB-CE1 4.38Å; D223-F225 HydrophobicContact CB-CE2 3.67Å; D223-F225 HydrophobicContact CB-CZ 3.63Å
226	Y	81.6	Confident	72.4	Confident	69 Å²	69	77.6 Å²	77.6	27%	0.271	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.9	-177.1	-67.6	-81.7	0	0	0	110.7	I205 V206 E207 V224 C243 R246	I205-Y226 HydrophobicContact CG2-CD1 4.44Å; V206-Y226 WeakPolarHBondContact O-CA 3.3Å; E207-Y226 HydrophobicContact CB-CE1 4.46Å; E207-Y226 HydrophobicContact CG-CE1 4.4Å; V224-Y226 WeakPolarHBondContact CG1-O 3.28Å; Y226-C243 PolarHBondContact O-N 3.34Å; Y226-C243 VanDerWaalsContact O-O 3.12Å; Y226-R246 HydrophobicContact CD1-CB 4.01Å; Y226-R246 HydrophobicContact CD1-CG 4.45Å; Y226-R246 HydrophobicContact CD2-CB 4.37Å; Y226-R246 HydrophobicContact CE1-CB 3.9Å; Y226-R246 HydrophobicContact CE1-CG 4.27Å; Y226-R246 HydrophobicContact CE2-CB 4.27Å; Y226-R246 HydrophobicContact CG-CB 4.24Å
227	A	83.5	Confident	71.5	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	169.6	175.8	0	0	0	0	0	111.1	I205 V206 L208 V240 V241	I205-A227 WeakPolarHBondContact CA-O 2.88Å; V206-A227 HydrophobicContact CG2-CB 3.79Å; V206-A227 WeakPolarHBondContact CG2-O 3.29Å; V206-A227 PolarHBondContact N-O 2.74Å; V206-A227 PolarHBondContact O-N 3.38Å; L208-A227 HydrophobicContact CD1-CB 3.81Å; L208-A227 HydrophobicContact CD2-CB 4.1Å; L208-A227 HydrophobicContact CG-CB 4Å; A227-V240 HydrophobicContact CB-CG1 3.42Å; A227-V240 VanDerWaalsContact CB-CG1 3.42Å; A227-V241 CarbonylContact C-O 3.47Å; A227-V241 WeakPolarHBondContact CA-O 3.19Å; A227-V241 WeakPolarHBondContact CB-O 3.22Å
228	V	79.9	Confident	71.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.6	171.5	178.6	0	0	0	0	108.8	P203 Y204 V230 V241 A249 F252 L253	P203-V228 HydrophobicContact CB-CG1 4.01Å; Y204-V228 WeakPolarHBondContact O-CA 3.28Å; V228-V230 HydrophobicContact CG1-CG1 3.8Å; V228-V241 PolarHBondContact N-O 2.97Å; V228-V241 PolarHBondContact O-N 3.48Å; V228-A249 HydrophobicContact CG2-CB 3.73Å; V228-A249 WeakPolarHBondContact CG2-O 3.43Å; V228-F252 HydrophobicContact CB-CD1 3.73Å; V228-F252 HydrophobicContact CB-CE1 3.88Å; V228-F252 HydrophobicContact CG1-CD1 4.08Å; V228-F252 HydrophobicContact CG1-CE1 4.03Å; V228-F252 HydrophobicContact CG2-CD1 3.71Å; V228-F252 HydrophobicContact CG2-CE1 4.37Å; V228-L253 HydrophobicContact CG1-CD2 3.54Å; V228-L253 HydrophobicContact CG1-CG 3.92Å; V228-L253 HydrophobicContact CG2-CD1 4.45Å; V228-L253 HydrophobicContact CG2-CG 4.02Å
229	V	77.1	Confident	71.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.4	168.4	174.6	0	0	0	0	107.5	L198 A202 P203 Y204 V206 F238 D239 V240	L198-V229 HydrophobicContact CD1-CG1 3.96Å; L198-V229 HydrophobicContact CD1-CG2 4.15Å; A202-V229 HydrophobicContact CB-CG1 4.24Å; P203-V229 WeakPolarHBondContact CA-O 3.44Å; P203-V229 WeakPolarHBondContact CB-O 3.34Å; Y204-V229 HydrophobicContact CD1-CB 4.22Å; Y204-V229 HydrophobicContact CD2-CB 4.31Å; Y204-V229 HydrophobicContact CD2-CG2 4.35Å; Y204-V229 HydrophobicContact CE1-CB 3.8Å; Y204-V229 HydrophobicContact CE1-CG1 3.75Å; Y204-V229 HydrophobicContact CE1-CG2 4.39Å; Y204-V229 HydrophobicContact CE2-CB 3.91Å; Y204-V229 HydrophobicContact CE2-CG2 3.69Å; Y204-V229 HydrophobicContact CG-CB 4.45Å; Y204-V229 PolarHBondContact N-O 3.33Å; Y204-V229 PolarHBondContact O-N 2.83Å; V206-V229 HydrophobicContact CG1-CG2 3.58Å; V206-V229 HydrophobicContact CG2-CG2 4.2Å; V229-F238 HydrophobicContact CG1-CB 3.98Å; V229-F238 HydrophobicContact CG1-CD1 3.95Å; V229-F238 HydrophobicContact CG1-CG 4.28Å; V229-D239 CarbonylContact C-O 3.5Å; V229-D239 WeakPolarHBondContact CA-O 3.31Å; V229-V240 HydrophobicContact CG2-CG2 4.11Å
230	V	75.6	Confident	71.8	Confident	11 Å²	11	63.2 Å²	63.2	7%	0.067	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.7	176.9	-58.1	0	0	0	0	110	Y176 P203 V228 F238 D239 V241 F252	Y176-V230 HydrophobicContact CD2-CG2 4.13Å; Y176-V230 HydrophobicContact CE2-CG2 3.75Å; P203-V230 HydrophobicContact CB-CG1 4.29Å; V228-V230 HydrophobicContact CG1-CG1 3.8Å; V230-F238 CarbonylContact O-C 3.41Å; V230-F238 WeakPolarHBondContact O-CA 3.43Å; V230-D239 HydrophobicContact CG2-CB 4.03Å; V230-D239 PolarHBondContact N-O 2.85Å; V230-D239 PolarHBondContact O-N 3.44Å; V230-V241 HydrophobicContact CB-CG2 4.42Å; V230-V241 HydrophobicContact CG1-CG2 4Å; V230-V241 HydrophobicContact CG2-CG2 3.52Å; V230-F252 HydrophobicContact CG1-CE1 3.85Å; V230-F252 HydrophobicContact CG1-CZ 4.15Å
231	E	71.5	Confident	72.3	Confident	93 Å²	93	54.8 Å²	54.8	44%	0.435	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.8	170.6	-173.3	171.6	-165.4	0	0	109.1	A202 R236 F238	A202-E231 HydrophobicContact CB-CB 4.4Å; E231-R236 WeakPolarHBondContact OE1-CG 3.42Å; E231-F238 HydrophobicContact CB-CD1 4.38Å; E231-F238 HydrophobicContact CB-CE1 4.1Å; E231-F238 HydrophobicContact CG-CE1 4.33Å
232	S	65.3	Low	72.8	Confident	7 Å²	7	52.2 Å²	52.2	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.3	172.1	73.2	0	0	0	0	110.1	Y234 H237 D239	S232-Y234 PolarHBondContact O-N 3.44Å; S232-H237 WeakPolarHBondContact CA-O 3.48Å; S232-H237 WeakPolarHBondContact CB-O 3.39Å; S232-H237 PolarHBondContact N-O 3.29Å; S232-H237 WeakPolarHBondContact OG-CB 3.35Å; S232-H237 PolarHBondContact OG-O 3.34Å; S232-D239 WeakPolarHBondContact CB-OD2 3.2Å
233	N	53.4	Low	73	Confident	143 Å²	143	50.9 Å²	50.9	77%	0.765	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-8.7	-174.8	-81.3	-31.6	0	0	0	115.1
234	Y	44.6	Very low	73.1	Confident	148 Å²	148	50.1 Å²	50.1	58%	0.58	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	113.1	-178.6	-156.7	-89.4	0	0	0	110.3	S232 R236 H237	S232-Y234 PolarHBondContact O-N 3.44Å; Y234-R236 PolarHBondContact O-N 2.93Å; Y234-H237 PolarHBondContact O-CD2 2.93Å; Y234-H237 VanDerWaalsContact O-CD2 3.25Å; Y234-H237 PolarHBondContact O-N 3.2Å
235	N	46.7	Very low	73.1	Confident	122 Å²	122	51.7 Å²	51.7	65%	0.652	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	27.9	174.7	-65.4	-10.9	0	0	0	117	H237	N235-H237 PolarHBondContact O-N 3.5Å
236	R	51.2	Low	72.8	Confident	168 Å²	168	50.6 Å²	50.6	63%	0.634	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	39.1	-176.5	-61.5	-169.9	168.8	164.1	0.1	112.8	E231 Y234	E231-R236 WeakPolarHBondContact OE1-CG 3.42Å; Y234-R236 PolarHBondContact O-N 2.93Å
237	H	62.2	Low	72.5	Confident	51 Å²	51	53.6 Å²	53.6	24%	0.236	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.3	172.7	-77.8	-70	0	0	0	109.9	K191 S232 Y234 N235	K191-H237 PolarHBondContact NZ-CD2 3.29Å; K191-H237 PolarHBondContact NZ-NE2 3.35Å; S232-H237 WeakPolarHBondContact CA-O 3.48Å; S232-H237 WeakPolarHBondContact CB-O 3.39Å; S232-H237 PolarHBondContact N-O 3.29Å; S232-H237 WeakPolarHBondContact OG-CB 3.35Å; S232-H237 PolarHBondContact OG-O 3.34Å; Y234-H237 PolarHBondContact O-CD2 2.93Å; Y234-H237 VanDerWaalsContact O-CD2 3.25Å; Y234-H237 PolarHBondContact O-N 3.2Å; N235-H237 PolarHBondContact O-N 3.5Å
238	F	69.3	Low	72.1	Confident	29 Å²	29	54.5 Å²	54.5	13%	0.127	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.7	173.2	-64.4	-76.2	0	0	0	110	L198 A202 V229 V230 E231	L198-F238 HydrophobicContact CB-CB 4.32Å; L198-F238 HydrophobicContact CB-CD2 4.18Å; L198-F238 HydrophobicContact CB-CG 4.26Å; L198-F238 HydrophobicContact CD1-CB 3.7Å; L198-F238 HydrophobicContact CD1-CG 4.49Å; A202-F238 HydrophobicContact CB-CD1 3.82Å; A202-F238 HydrophobicContact CB-CE1 3.7Å; V229-F238 HydrophobicContact CG1-CB 3.98Å; V229-F238 HydrophobicContact CG1-CD1 3.95Å; V229-F238 HydrophobicContact CG1-CG 4.28Å; V230-F238 CarbonylContact O-C 3.41Å; V230-F238 WeakPolarHBondContact O-CA 3.43Å; E231-F238 HydrophobicContact CB-CD1 4.38Å; E231-F238 HydrophobicContact CB-CE1 4.1Å; E231-F238 HydrophobicContact CG-CE1 4.33Å
239	D	78	Confident	71.7	Confident	9 Å²	9	54.5 Å²	54.5	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.3	171.8	-71.4	-26.4	0	0	0	109	R174 H178 V229 V230 S232	R174-D239 IonicContact CZ-OD1 3.28Å; R174-D239 VanDerWaalsContact CZ-OD1 3.28Å; R174-D239 IonicContact CZ-OD2 3.52Å; R174-D239 IonicContact NE-OD1 2.81Å; R174-D239 IonicContact NE-OD2 3.29Å; R174-D239 PolarHBondContact NE-OD2 3.18Å; R174-D239 IonicContact NH1-OD1 3.62Å; R174-D239 IonicContact NH2-OD1 2.78Å; R174-D239 PolarHBondContact NH2-OD1 2.77Å; R174-D239 IonicContact NH2-OD2 3.45Å; R174-D239 PolarHBondContact NH2-OD2 3.44Å; H178-D239 HydrophobicContact CB-CB 4.06Å; V229-D239 CarbonylContact C-O 3.5Å; V229-D239 WeakPolarHBondContact CA-O 3.31Å; V230-D239 HydrophobicContact CG2-CB 4.03Å; V230-D239 PolarHBondContact N-O 2.85Å; V230-D239 PolarHBondContact O-N 3.44Å; S232-D239 WeakPolarHBondContact CB-OD2 3.2Å
240	V	82	Confident	71.2	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.6	172.3	173.9	0	0	0	0	107	W165 H178 L179 W194 L198 V206 L208 A227 V229 M280	W165-V240 HydrophobicContact CH2-CG1 4.24Å; W165-V240 WeakPolarHBondContact CZ3-O 3.24Å; H178-V240 WeakPolarHBondContact CA-O 3.07Å; L179-V240 HydrophobicContact CD1-CB 4.03Å; L179-V240 HydrophobicContact CD1-CG1 4.11Å; L179-V240 HydrophobicContact CD1-CG2 4.48Å; L179-V240 HydrophobicContact CG-CB 4.48Å; W194-V240 HydrophobicContact CH2-CG2 3.71Å; W194-V240 HydrophobicContact CZ2-CB 4.18Å; W194-V240 HydrophobicContact CZ2-CG2 3.22Å; L198-V240 HydrophobicContact CD1-CG2 4.44Å; V206-V240 HydrophobicContact CG2-CG1 4.48Å; L208-V240 HydrophobicContact CD1-CG1 4.48Å; L208-V240 HydrophobicContact CD2-CG1 4.25Å; A227-V240 HydrophobicContact CB-CG1 3.42Å; A227-V240 VanDerWaalsContact CB-CG1 3.42Å; V229-V240 HydrophobicContact CG2-CG2 4.11Å; V240-M280 HydrophobicContact CG1-CE 4.29Å; V240-M280 HydrophobicContact CG2-CE 4.43Å
241	V	87.4	Confident	70.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.3	-174.7	-177.9	0	0	0	0	109.5	Y176 A227 V228 V230 F252 T261	Y176-V241 HydrophobicContact CD2-CG2 3.62Å; Y176-V241 HydrophobicContact CE2-CG2 4.35Å; Y176-V241 HydrophobicContact CG-CG1 4.1Å; Y176-V241 HydrophobicContact CG-CG2 3.81Å; A227-V241 CarbonylContact C-O 3.47Å; A227-V241 WeakPolarHBondContact CA-O 3.19Å; A227-V241 WeakPolarHBondContact CB-O 3.22Å; V228-V241 PolarHBondContact N-O 2.97Å; V228-V241 PolarHBondContact O-N 3.48Å; V230-V241 HydrophobicContact CB-CG2 4.42Å; V230-V241 HydrophobicContact CG1-CG2 4Å; V230-V241 HydrophobicContact CG2-CG2 3.52Å; V241-F252 HydrophobicContact CB-CE1 4Å; V241-F252 HydrophobicContact CG1-CD1 4.43Å; V241-F252 HydrophobicContact CG1-CE1 3.84Å; V241-F252 HydrophobicContact CG1-CZ 4.22Å; V241-F252 HydrophobicContact CG2-CE1 4.24Å; V241-T261 HydrophobicContact CG1-CG2 3.46Å; V241-T261 VanDerWaalsContact CG1-CG2 3.46Å
242	P	90.5	Very high	71.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.6	-174.9	29.6	-31.6	0	0	0	111.4	W165 S177 L214 V224 L262	W165-P242 HydrophobicContact CD2-CB 4.37Å; W165-P242 HydrophobicContact CD2-CG 4.24Å; W165-P242 HydrophobicContact CE3-CB 4.03Å; W165-P242 HydrophobicContact CE3-CG 3.67Å; W165-P242 HydrophobicContact CH2-CB 3.68Å; W165-P242 HydrophobicContact CH2-CG 4.2Å; W165-P242 HydrophobicContact CZ2-CB 4.02Å; W165-P242 HydrophobicContact CZ3-CB 3.67Å; W165-P242 VanDerWaalsContact CZ3-CD 3.49Å; W165-P242 HydrophobicContact CZ3-CG 3.65Å; S177-P242 WeakPolarHBondContact O-CD 3.43Å; L214-P242 HydrophobicContact CD1-CB 3.84Å; L214-P242 HydrophobicContact CD1-CG 3.49Å; L214-P242 VanDerWaalsContact CD1-CG 3.49Å; V224-P242 HydrophobicContact CG1-CB 3.62Å; V224-P242 HydrophobicContact CG2-CB 4.15Å; P242-L262 HydrophobicContact CB-CB 4.16Å; P242-L262 HydrophobicContact CB-CD1 4.42Å; P242-L262 HydrophobicContact CG-CB 4.09Å; P242-L262 PolarHBondContact O-N 3.38Å
243	C	86.6	Confident	71.3	Confident	1 Å²	1	58 Å²	58	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.1	176.8	-65	0	0	0	0	110.4	Y226 S245 A248 A249	Y226-C243 PolarHBondContact O-N 3.34Å; Y226-C243 VanDerWaalsContact O-O 3.12Å; C243-S245 VanDerWaalsContact C-N 3.31Å; C243-S245 PolarHBondContact O-N 2.9Å; C243-A248 HydrophobicContact CB-CB 4.24Å; C243-A249 HydrophobicContact CB-CB 3.81Å; C243-A249 VanDerWaalsContact SG-CA 3.56Å
244	A	84.6	Confident	71.5	Confident	74 Å²	74	56.9 Å²	56.9	61%	0.612	28%	0.279	S	S	*	.	S	Bend	trans	-65.9	-34	-177.3	0	0	0	0	0	113.1	A248 L262	A244-A248 HydrophobicContact CB-CB 4.3Å; A244-L262 HydrophobicContact CB-CD2 3.96Å; A244-L262 HydrophobicContact CB-CG 4.46Å
245	S	82.6	Confident	72.8	Confident	37 Å²	37	52.9 Å²	52.9	26%	0.259	27%	0.273	S	S	.	.	S	Bend	trans	-153.2	176.9	-178.8	79.1	0	0	0	0	110.5	C243 E247 A248 A249	C243-S245 VanDerWaalsContact C-N 3.31Å; C243-S245 PolarHBondContact O-N 2.9Å; S245-E247 VanDerWaalsContact C-N 3.28Å; S245-E247 WeakPolarHBondContact CB-OE2 3.36Å; S245-E247 PolarHBondContact O-N 3.47Å; S245-E247 PolarHBondContact OG-N 3.07Å; S245-E247 PolarHBondContact OG-OE2 2.7Å; S245-A248 PolarHBondContact O-N 3.27Å; S245-A248 PolarHBondContact OG-N 3.44Å; S245-A249 PolarHBondContact O-N 2.73Å
246	R	76.1	Confident	74	Confident	100 Å²	100	49.6 Å²	49.6	38%	0.377	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-37.7	172.7	-176	179.9	176.6	-178.3	-0.9	111.7	Y226 A249 Y250	Y226-R246 HydrophobicContact CD1-CB 4.01Å; Y226-R246 HydrophobicContact CD1-CG 4.45Å; Y226-R246 HydrophobicContact CD2-CB 4.37Å; Y226-R246 HydrophobicContact CE1-CB 3.9Å; Y226-R246 HydrophobicContact CE1-CG 4.27Å; Y226-R246 HydrophobicContact CE2-CB 4.27Å; Y226-R246 HydrophobicContact CG-CB 4.24Å; R246-A249 PolarHBondContact O-N 3.29Å; R246-Y250 WeakPolarHBondContact O-CB 3.31Å; R246-Y250 PolarHBondContact O-N 3.42Å
247	E	74.6	Confident	75.3	Confident	132 Å²	132	45.3 Å²	45.3	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-65.2	-42.6	177.3	-59.2	67.1	-143.8	0	0	110.6	S245 Y250 A251	S245-E247 VanDerWaalsContact C-N 3.28Å; S245-E247 WeakPolarHBondContact CB-OE2 3.36Å; S245-E247 PolarHBondContact O-N 3.47Å; S245-E247 PolarHBondContact OG-N 3.07Å; S245-E247 PolarHBondContact OG-OE2 2.7Å; E247-Y250 PolarHBondContact O-N 3.31Å; E247-A251 WeakPolarHBondContact O-CB 3.26Å; E247-A251 PolarHBondContact O-N 2.82Å
248	A	74.8	Confident	76.1	Confident	19 Å²	19	46.9 Å²	46.9	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-40.8	174.6	0	0	0	0	0	112	C243 A244 S245 Y250 A251 F252	C243-A248 HydrophobicContact CB-CB 4.24Å; A244-A248 HydrophobicContact CB-CB 4.3Å; S245-A248 PolarHBondContact O-N 3.27Å; S245-A248 PolarHBondContact OG-N 3.44Å; A248-Y250 VanDerWaalsContact C-N 3.3Å; A248-Y250 PolarHBondContact O-N 2.82Å; A248-A251 PolarHBondContact O-N 3.04Å; A248-F252 WeakPolarHBondContact O-CB 3.31Å; A248-F252 PolarHBondContact O-N 3.01Å
249	A	72.5	Confident	76.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-37.4	173.9	0	0	0	0	0	112.5	I205 V228 C243 S245 R246 L253	I205-A249 HydrophobicContact CD1-CB 4.1Å; I205-A249 HydrophobicContact CG1-CB 4.18Å; I205-A249 HydrophobicContact CG2-CB 3.98Å; V228-A249 HydrophobicContact CG2-CB 3.73Å; V228-A249 WeakPolarHBondContact CG2-O 3.43Å; C243-A249 HydrophobicContact CB-CB 3.81Å; C243-A249 VanDerWaalsContact SG-CA 3.56Å; S245-A249 PolarHBondContact O-N 2.73Å; R246-A249 PolarHBondContact O-N 3.29Å; A249-L253 WeakPolarHBondContact O-CB 3.41Å; A249-L253 WeakPolarHBondContact O-CG 3.17Å; A249-L253 PolarHBondContact O-N 3.48Å; A249-L253 VanDerWaalsContact O-N 3.08Å
250	Y	66.5	Low	76.8	Confident	86 Å²	86	52.7 Å²	52.7	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-71.1	-40.4	175.3	-169.6	-103.2	0	0	0	112	I205 R246 E247 A248 L253 I254 F288	I205-Y250 HydrophobicContact CD1-CD2 4.23Å; R246-Y250 WeakPolarHBondContact O-CB 3.31Å; R246-Y250 PolarHBondContact O-N 3.42Å; E247-Y250 PolarHBondContact O-N 3.31Å; A248-Y250 VanDerWaalsContact C-N 3.3Å; A248-Y250 PolarHBondContact O-N 2.82Å; Y250-L253 PolarHBondContact O-N 3.43Å; Y250-I254 HydrophobicContact CD1-CD1 3.56Å; Y250-I254 HydrophobicContact CD1-CG1 4.49Å; Y250-I254 HydrophobicContact CE1-CD1 3.11Å; Y250-I254 HydrophobicContact CE1-CG1 4.28Å; Y250-I254 HydrophobicContact CE2-CD1 4.34Å; Y250-I254 HydrophobicContact CG-CD1 4.34Å; Y250-I254 WeakPolarHBondContact O-CG1 3.33Å; Y250-I254 PolarHBondContact O-N 3.47Å; Y250-I254 VanDerWaalsContact O-N 3.11Å; Y250-F288 HydrophobicContact CE2-CB 4.24Å; Y250-F288 HydrophobicContact CE2-CD1 4.47Å; Y250-F288 HydrophobicContact CE2-CG 4.18Å
251	A	69.2	Low	77	Confident	33 Å²	33	53.3 Å²	53.3	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-53.4	173.1	0	0	0	0	0	110.3	E247 A248 L253 I254 S255 D260	E247-A251 WeakPolarHBondContact O-CB 3.26Å; E247-A251 PolarHBondContact O-N 2.82Å; A248-A251 PolarHBondContact O-N 3.04Å; A251-L253 VanDerWaalsContact C-N 3.3Å; A251-L253 PolarHBondContact O-N 3.39Å; A251-I254 PolarHBondContact O-N 2.91Å; A251-S255 WeakPolarHBondContact O-CB 3.33Å; A251-S255 PolarHBondContact O-N 3.35Å; A251-S255 PolarHBondContact O-OG 3.01Å; A251-D260 HydrophobicContact CB-CB 4.28Å
252	F	78.4	Confident	77	Confident	11 Å²	11	54.5 Å²	54.5	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-55	-42.4	176.4	176	-131	0	0	0	112.8	Y176 V228 V230 V241 A248 I254 G256 D257 D260 T261	Y176-F252 HydrophobicContact CD1-CE2 4.32Å; Y176-F252 HydrophobicContact CD1-CZ 4Å; Y176-F252 HydrophobicContact CE1-CE2 4.17Å; Y176-F252 AromaticContact CE1-CZ 3.89Å; Y176-F252 HydrophobicContact CE1-CZ 3.89Å; V228-F252 HydrophobicContact CB-CD1 3.73Å; V228-F252 HydrophobicContact CB-CE1 3.88Å; V228-F252 HydrophobicContact CG1-CD1 4.08Å; V228-F252 HydrophobicContact CG1-CE1 4.03Å; V228-F252 HydrophobicContact CG2-CD1 3.71Å; V228-F252 HydrophobicContact CG2-CE1 4.37Å; V230-F252 HydrophobicContact CG1-CE1 3.85Å; V230-F252 HydrophobicContact CG1-CZ 4.15Å; V241-F252 HydrophobicContact CB-CE1 4Å; V241-F252 HydrophobicContact CG1-CD1 4.43Å; V241-F252 HydrophobicContact CG1-CE1 3.84Å; V241-F252 HydrophobicContact CG1-CZ 4.22Å; V241-F252 HydrophobicContact CG2-CE1 4.24Å; A248-F252 WeakPolarHBondContact O-CB 3.31Å; A248-F252 PolarHBondContact O-N 3.01Å; F252-I254 VanDerWaalsContact C-N 3.31Å; F252-I254 PolarHBondContact O-N 2.83Å; F252-G256 VanDerWaalsContact O-CA 3.29Å; F252-G256 WeakPolarHBondContact O-CA 3.42Å; F252-G256 PolarHBondContact O-N 2.98Å; F252-D257 WeakPolarHBondContact CD2-O 3.4Å; F252-D260 HydrophobicContact CB-CB 3.71Å; F252-D260 PolarHBondContact N-OD2 2.96Å; F252-T261 HydrophobicContact CB-CG2 4.29Å; F252-T261 HydrophobicContact CD1-CG2 3.78Å; F252-T261 HydrophobicContact CD2-CG2 3.53Å; F252-T261 HydrophobicContact CE1-CG2 3.95Å; F252-T261 HydrophobicContact CE2-CG2 3.7Å; F252-T261 HydrophobicContact CG-CG2 3.59Å; F252-T261 HydrophobicContact CZ-CG2 3.91Å
253	L	66.4	Low	76.7	Confident	55 Å²	55	58.5 Å²	58.5	29%	0.288	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-34.2	176.6	-84.9	175.8	0	0	0	113.8	P203 I205 V228 A249 Y250 A251	P203-L253 HydrophobicContact CB-CD2 3.46Å; P203-L253 VanDerWaalsContact CB-CD2 3.46Å; P203-L253 HydrophobicContact CG-CD2 3.53Å; I205-L253 HydrophobicContact CB-CD1 4.48Å; I205-L253 HydrophobicContact CD1-CD1 3.84Å; I205-L253 HydrophobicContact CG1-CD1 3.2Å; I205-L253 HydrophobicContact CG1-CG 4.38Å; V228-L253 HydrophobicContact CG1-CD2 3.54Å; V228-L253 HydrophobicContact CG1-CG 3.92Å; V228-L253 HydrophobicContact CG2-CD1 4.45Å; V228-L253 HydrophobicContact CG2-CG 4.02Å; A249-L253 WeakPolarHBondContact O-CB 3.41Å; A249-L253 WeakPolarHBondContact O-CG 3.17Å; A249-L253 PolarHBondContact O-N 3.48Å; A249-L253 VanDerWaalsContact O-N 3.08Å; Y250-L253 PolarHBondContact O-N 3.43Å; A251-L253 VanDerWaalsContact C-N 3.3Å; A251-L253 PolarHBondContact O-N 3.39Å
254	I	56.6	Low	76.3	Confident	118 Å²	118	58.6 Å²	58.6	61%	0.605	33%	0.333	S	S	*	.	H	α-helix	trans	-83.1	-47.3	-178.8	-71.3	175.5	0	0	0	111	Y250 A251 F252	Y250-I254 HydrophobicContact CD1-CD1 3.56Å; Y250-I254 HydrophobicContact CD1-CG1 4.49Å; Y250-I254 HydrophobicContact CE1-CD1 3.11Å; Y250-I254 HydrophobicContact CE1-CG1 4.28Å; Y250-I254 HydrophobicContact CE2-CD1 4.34Å; Y250-I254 HydrophobicContact CG-CD1 4.34Å; Y250-I254 WeakPolarHBondContact O-CG1 3.33Å; Y250-I254 PolarHBondContact O-N 3.47Å; Y250-I254 VanDerWaalsContact O-N 3.11Å; A251-I254 PolarHBondContact O-N 2.91Å; F252-I254 VanDerWaalsContact C-N 3.31Å; F252-I254 PolarHBondContact O-N 2.83Å
255	S	73	Confident	75.7	Confident	65 Å²	65	60 Å²	60	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-78.9	-33.4	-172.9	64.1	0	0	0	0	111.6	A251 D257 D260	A251-S255 WeakPolarHBondContact O-CB 3.33Å; A251-S255 PolarHBondContact O-N 3.35Å; A251-S255 PolarHBondContact O-OG 3.01Å; S255-D257 PolarHBondContact O-N 2.98Å; S255-D257 VanDerWaalsContact OG-CB 3.28Å; S255-D257 WeakPolarHBondContact OG-CB 3.34Å; S255-D257 PolarHBondContact OG-N 3.45Å; S255-D260 PolarHBondContact OG-OD2 3.38Å
256	G	71.8	Confident	74.8	Confident	53 Å²	53	58.4 Å²	58.4	55%	0.546	32%	0.316	S	S	.	.			trans	64.8	8.6	-161.5	0	0	0	0	0	113	F252	F252-G256 VanDerWaalsContact O-CA 3.29Å; F252-G256 WeakPolarHBondContact O-CA 3.42Å; F252-G256 PolarHBondContact O-N 2.98Å
257	D	77.2	Confident	73.9	Confident	77 Å²	77	59 Å²	59	41%	0.412	32%	0.323	S	S	.	.			trans	-82.6	118.8	-174	-168.5	-26.8	0	0	0	110.5	F252 S255 T259 D260	F252-D257 WeakPolarHBondContact CD2-O 3.4Å; S255-D257 PolarHBondContact O-N 2.98Å; S255-D257 VanDerWaalsContact OG-CB 3.28Å; S255-D257 WeakPolarHBondContact OG-CB 3.34Å; S255-D257 PolarHBondContact OG-N 3.45Å; D257-T259 PolarHBondContact O-N 2.89Å; D257-T259 VanDerWaalsContact O-N 3.14Å; D257-T259 WeakPolarHBondContact OD1-CB 3.39Å; D257-T259 VanDerWaalsContact OD1-CG2 3.32Å; D257-T259 WeakPolarHBondContact OD1-CG2 3.49Å; D257-T259 PolarHBondContact OD1-N 3.3Å; D257-T259 PolarHBondContact OD1-OG1 2.89Å; D257-T259 PolarHBondContact OD2-OG1 3.17Å; D257-D260 WeakPolarHBondContact O-CB 3.21Å; D257-D260 PolarHBondContact O-N 2.91Å; D257-D260 VanDerWaalsContact O-N 3.11Å
258	E	79.6	Confident	72.9	Confident	84 Å²	84	54.5 Å²	54.5	39%	0.393	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-63.3	-20.4	-177.9	-57.6	176.8	179.8	0	0	112.6	P175 Y176 D260 T261	P175-E258 WeakPolarHBondContact CB-OE1 3.41Å; P175-E258 WeakPolarHBondContact CG-OE1 3.44Å; Y176-E258 HydrophobicContact CD1-CG 3.92Å; Y176-E258 HydrophobicContact CE1-CG 3.95Å; E258-D260 PolarHBondContact O-N 3.28Å; E258-T261 WeakPolarHBondContact O-CB 3.45Å; E258-T261 PolarHBondContact O-N 2.77Å; E258-T261 PolarHBondContact O-OG1 3.28Å
259	T	81.9	Confident	71.6	Confident	111 Å²	111	61.2 Å²	61.2	68%	0.681	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.7	176	62.8	0	0	0	0	113.3	D257 T261	D257-T259 PolarHBondContact O-N 2.89Å; D257-T259 VanDerWaalsContact O-N 3.14Å; D257-T259 WeakPolarHBondContact OD1-CB 3.39Å; D257-T259 VanDerWaalsContact OD1-CG2 3.32Å; D257-T259 WeakPolarHBondContact OD1-CG2 3.49Å; D257-T259 PolarHBondContact OD1-N 3.3Å; D257-T259 PolarHBondContact OD1-OG1 2.89Å; D257-T259 PolarHBondContact OD2-OG1 3.17Å; T259-T261 PolarHBondContact O-N 3.26Å
260	D	80.6	Confident	70.3	Confident	49 Å²	49	63.8 Å²	63.8	26%	0.262	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-79.8	1	173.7	-67.7	-41.8	0	0	0	112.8	A251 F252 S255 D257 E258	A251-D260 HydrophobicContact CB-CB 4.28Å; F252-D260 HydrophobicContact CB-CB 3.71Å; F252-D260 PolarHBondContact N-OD2 2.96Å; S255-D260 PolarHBondContact OG-OD2 3.38Å; D257-D260 WeakPolarHBondContact O-CB 3.21Å; D257-D260 PolarHBondContact O-N 2.91Å; D257-D260 VanDerWaalsContact O-N 3.11Å; E258-D260 PolarHBondContact O-N 3.28Å
261	T	86.5	Confident	69.5	Low	14 Å²	14	61.7 Å²	61.7	9%	0.086	36%	0.355	C	S	.	.	S	Bend	trans	-110.1	159.6	-178.1	77.8	0	0	0	0	112.2	V241 F252 E258 T259	V241-T261 HydrophobicContact CG1-CG2 3.46Å; V241-T261 VanDerWaalsContact CG1-CG2 3.46Å; F252-T261 HydrophobicContact CB-CG2 4.29Å; F252-T261 HydrophobicContact CD1-CG2 3.78Å; F252-T261 HydrophobicContact CD2-CG2 3.53Å; F252-T261 HydrophobicContact CE1-CG2 3.95Å; F252-T261 HydrophobicContact CE2-CG2 3.7Å; F252-T261 HydrophobicContact CG-CG2 3.59Å; F252-T261 HydrophobicContact CZ-CG2 3.91Å; E258-T261 WeakPolarHBondContact O-CB 3.45Å; E258-T261 PolarHBondContact O-N 2.77Å; E258-T261 PolarHBondContact O-OG1 3.28Å; T259-T261 PolarHBondContact O-N 3.26Å
262	L	87.2	Confident	68.6	Low	26 Å²	26	65.4 Å²	65.4	14%	0.136	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-86.1	132.1	175.8	-63.9	177.4	0	0	0	111.3	S177 L214 L216 V222 V224 P242 A244	S177-L262 VanDerWaalsContact CB-O 3.29Å; S177-L262 WeakPolarHBondContact CB-O 3.42Å; S177-L262 PolarHBondContact OG-O 3.22Å; L214-L262 HydrophobicContact CD1-CB 3.83Å; L214-L262 HydrophobicContact CD2-CB 4.04Å; L216-L262 HydrophobicContact CD2-CD2 4.18Å; V222-L262 HydrophobicContact CG2-CD1 4.34Å; V224-L262 HydrophobicContact CG2-CD1 4.22Å; P242-L262 HydrophobicContact CB-CB 4.16Å; P242-L262 HydrophobicContact CB-CD1 4.42Å; P242-L262 HydrophobicContact CG-CB 4.09Å; P242-L262 PolarHBondContact O-N 3.38Å; A244-L262 HydrophobicContact CB-CD2 3.96Å; A244-L262 HydrophobicContact CB-CG 4.46Å
263	I	84.5	Confident	67.2	Low	84 Å²	84	66.9 Å²	66.9	43%	0.431	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-100.1	122	-179.8	-57.2	177.5	0	0	0	110.7	P168 S177	P168-I263 HydrophobicContact CG-CG2 4.32Å; S177-I263 VanDerWaalsContact OG-CA 3.28Å; S177-I263 WeakPolarHBondContact OG-CA 3.29Å
264	S	77.9	Confident	66	Low	3 Å²	3	67.6 Å²	67.6	2%	0.021	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-80.1	133.6	175.5	-178.1	0	0	0	0	111.6	W165 S177 V266	W165-S264 WeakPolarHBondContact O-CB 3.43Å; W165-S264 PolarHBondContact O-OG 2.89Å; S177-S264 PolarHBondContact OG-N 3.41Å; S264-V266 WeakPolarHBondContact OG-CB 3.35Å; S264-V266 PolarHBondContact OG-N 3.44Å; S264-V266 VanDerWaalsContact OG-N 3.15Å
265	Q	71.6	Confident	65.3	Low	102 Å²	102	62.8 Å²	62.8	48%	0.477	37%	0.367	S	S	.	.			trans	-93.9	3.3	168.1	-73.5	-66.6	-30.6	0	0	113.4	K215 P217 E267	K215-Q265 PolarHBondContact O-N 2.75Å; P217-Q265 VanDerWaalsContact CA-CG 3.4Å; P217-Q265 HydrophobicContact CB-CG 4.33Å; P217-Q265 HydrophobicContact CG-CG 4.22Å; Q265-E267 PolarHBondContact O-N 3.3Å
266	V	63.5	Low	63.5	Low	5 Å²	5	66.6 Å²	66.6	3%	0.03	37%	0.372	C	S	.	.			trans	-71.6	98	-178.5	-178.6	0	0	0	0	108.3	F164 K215 S264 A270 A271	F164-V266 HydrophobicContact CD2-CB 4.48Å; F164-V266 HydrophobicContact CD2-CG1 3.87Å; F164-V266 HydrophobicContact CE2-CG1 4.39Å; K215-V266 HydrophobicContact CB-CG2 3.69Å; S264-V266 WeakPolarHBondContact OG-CB 3.35Å; S264-V266 PolarHBondContact OG-N 3.44Å; S264-V266 VanDerWaalsContact OG-N 3.15Å; V266-A270 WeakPolarHBondContact CG1-O 3.35Å; V266-A271 HydrophobicContact CG1-CB 4.35Å; V266-A271 HydrophobicContact CG2-CB 4Å
267	E	58.6	Low	62	Low	113 Å²	113	72.9 Å²	72.9	53%	0.528	38%	0.384	S	S	.	.			trans	-59.7	153.4	154.5	-61.9	-141.9	127.6	0	0	108.6	K167 Q265 H269 A270	K167-E267 IonicContact NZ-OE1 2.85Å; K167-E267 PolarHBondContact NZ-OE1 2.87Å; Q265-E267 PolarHBondContact O-N 3.3Å; E267-H269 PolarHBondContact O-N 3.43Å; E267-A270 PolarHBondContact O-N 3.4Å; E267-A270 VanDerWaalsContact O-N 3.15Å
268	P	51.6	Low	60.4	Low	37 Å²	37	70 Å²	70	24%	0.24	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	4	-172.4	-25.4	34.6	0	0	0	116.6	L182 I189	L182-P268 HydrophobicContact CD1-CB 4.21Å; L182-P268 WeakPolarHBondContact CD1-O 3.47Å; L182-P268 WeakPolarHBondContact CD2-O 3.38Å; I189-P268 HydrophobicContact CD1-CB 4Å; I189-P268 HydrophobicContact CD1-CG 3.83Å
269	H	48.3	Very low	58.4	Low	160 Å²	160	69 Å²	69	74%	0.741	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-1.5	-173.7	-58.7	-28.7	0	0	0	113.8	E267	E267-H269 PolarHBondContact O-N 3.43Å
270	A	46.4	Very low	56.8	Low	53 Å²	53	63.8 Å²	63.8	44%	0.438	34%	0.339	S	S	.	.	S	Bend	trans	-146	69.6	-166.6	0	0	0	0	0	116.4	V266 E267	V266-A270 WeakPolarHBondContact CG1-O 3.35Å; E267-A270 PolarHBondContact O-N 3.4Å; E267-A270 VanDerWaalsContact O-N 3.15Å
271	A	48.6	Very low	55.1	Low	43 Å²	43	62.2 Å²	62.2	36%	0.355	33%	0.331	S	S	.	.			trans	168.7	118.2	142.5	0	0	0	0	0	110.3	V266	V266-A271 HydrophobicContact CG1-CB 4.35Å; V266-A271 HydrophobicContact CG2-CB 4Å
272	L	50.3	Low	53.4	Low	111 Å²	111	61.6 Å²	61.6	58%	0.581	33%	0.327	S	S	*	.			trans	-108.2	116.3	-171.1	-57.7	167.9	0	0	0	110.5	V162 L182 E184	V162-L272 HydrophobicContact CB-CD2 4.31Å; V162-L272 HydrophobicContact CG1-CD2 4.18Å; V162-L272 HydrophobicContact CG2-CD2 3.53Å; L182-L272 HydrophobicContact CD2-CD2 4.44Å; E184-L272 HydrophobicContact CG-CD2 3.71Å; E184-L272 VanDerWaalsContact OE1-CD1 3.25Å; E184-L272 WeakPolarHBondContact OE1-CD1 3.39Å; E184-L272 WeakPolarHBondContact OE1-CD2 3.23Å
273	S	49.4	Very low	51.4	Low	41 Å²	41	61.6 Å²	61.6	29%	0.287	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.2	157.6	179.4	0	0	0	0	108	V162 A275	V162-S273 WeakPolarHBondContact CB-O 3.46Å; S273-A275 PolarHBondContact O-N 2.83Å; S273-A275 VanDerWaalsContact O-N 3.08Å
274	C	41.8	Very low	49.2	Very low	71 Å²	71	61.5 Å²	61.5	48%	0.48	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	114.6	-179.3	-160.7	0	0	0	0	109.2	W276	C274-W276 PolarHBondContact O-N 3.47Å; C274-W276 VanDerWaalsContact SG-CD2 3.56Å
275	A	41.6	Very low	47.3	Very low	16 Å²	16	64.3 Å²	64.3	13%	0.132	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-61.2	-2.8	-177	0	0	0	0	0	113.9	W161 S273 K277 T278	W161-A275 WeakPolarHBondContact O-CB 3.29Å; S273-A275 PolarHBondContact O-N 2.83Å; S273-A275 VanDerWaalsContact O-N 3.08Å; A275-K277 PolarHBondContact O-N 3.01Å; A275-T278 WeakPolarHBondContact CA-OG1 3.36Å
276	W	35.8	Very low	45.2	Very low	146 Å²	146	66.2 Å²	66.2	55%	0.553	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-79.7	-5	-170.4	-53.3	1.6	0	0	0	112.6	D159 C274	D159-W276 HydrophobicContact CB-CZ2 3.81Å; C274-W276 PolarHBondContact O-N 3.47Å; C274-W276 VanDerWaalsContact SG-CD2 3.56Å
277	K	40.2	Very low	43.6	Very low	184 Å²	184	71 Å²	71	80%	0.8	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-132.8	7	-177.7	-68.9	-174	177.9	-179.9	0	115.2	A275 S279	A275-K277 PolarHBondContact O-N 3.01Å; K277-S279 PolarHBondContact O-N 2.9Å
278	T	42.8	Very low	41.9	Very low	17 Å²	17	70.5 Å²	70.5	10%	0.104	37%	0.371	C	S	.	.			trans	-90.7	69.2	-166.5	-14.1	0	0	0	0	112	L163 N210 A275 M280	L163-T278 HydrophobicContact CD2-CG2 3.92Å; N210-T278 WeakPolarHBondContact O-CG2 3.4Å; A275-T278 WeakPolarHBondContact CA-OG1 3.36Å; T278-M280 PolarHBondContact O-N 2.88Å
279	S	38.5	Very low	40.6	Very low	63 Å²	63	74.6 Å²	74.6	44%	0.441	39%	0.391	S	S	.	.			trans	-72.1	88.3	162	63.4	0	0	0	0	107.8	N210 K277 L281	N210-S279 PolarHBondContact ND2-O 3.23Å; N210-S279 PolarHBondContact ND2-OG 2.93Å; K277-S279 PolarHBondContact O-N 2.9Å; S279-L281 PolarHBondContact O-N 2.82Å
280	M	48.4	Very low	39.6	Very low	1 Å²	1	68.9 Å²	68.9	1%	0.005	37%	0.365	C	S	.	.			trans	-68.2	129.4	166.8	-147.4	179.3	88.4	0	0	107.9	H148 V150 L179 W194 L208 R209 V240 T278 I282	H148-M280 CarbonylContact C-O 3.57Å; H148-M280 CarbonylContact O-C 3.5Å; V150-M280 HydrophobicContact CG2-CB 4.06Å; L179-M280 HydrophobicContact CD1-CE 4.06Å; L179-M280 HydrophobicContact CD1-SD 3.47Å; L179-M280 WeakPolarHBondContact CD1-SD 3.43Å; W194-M280 HydrophobicContact CH2-CE 3.11Å; W194-M280 HydrophobicContact CH2-SD 3.9Å; W194-M280 HydrophobicContact CZ2-CE 4.28Å; W194-M280 HydrophobicContact CZ3-CB 4.47Å; W194-M280 HydrophobicContact CZ3-CE 3.35Å; W194-M280 HydrophobicContact CZ3-SD 4.29Å; L208-M280 HydrophobicContact CD1-SD 4.27Å; L208-M280 HydrophobicContact CD2-CE 3.18Å; L208-M280 HydrophobicContact CD2-CG 4.18Å; L208-M280 HydrophobicContact CD2-SD 3.64Å; L208-M280 HydrophobicContact CG-CE 4.46Å; L208-M280 HydrophobicContact CG-SD 4.42Å; R209-M280 VanDerWaalsContact O-CA 3.27Å; R209-M280 WeakPolarHBondContact O-CA 3.48Å; V240-M280 HydrophobicContact CG1-CE 4.29Å; V240-M280 HydrophobicContact CG2-CE 4.43Å; T278-M280 PolarHBondContact O-N 2.88Å; M280-I282 HydrophobicContact CE-CD1 3.49Å; M280-I282 VanDerWaalsContact CE-CD1 3.49Å; M280-I282 HydrophobicContact CE-CG1 3.4Å
281	L	44.9	Very low	38.7	Very low	17 Å²	17	68.3 Å²	68.3	9%	0.089	37%	0.365	C	S	.	.			trans	-114.4	106.2	178.7	-167.7	155.9	0	0	0	107.2	E147 E207 R209 S279 K283	E147-L281 HydrophobicContact CB-CD1 4.45Å; E147-L281 HydrophobicContact CB-CG 4.06Å; E147-L281 HydrophobicContact CG-CD1 3.75Å; E147-L281 HydrophobicContact CG-CD2 4.16Å; E147-L281 HydrophobicContact CG-CG 3.69Å; E147-L281 WeakPolarHBondContact OE1-CD1 3.47Å; E207-L281 CarbonylContact C-O 3.39Å; R209-L281 HydrophobicContact CB-CB 3.98Å; R209-L281 HydrophobicContact CG-CB 4.13Å; S279-L281 PolarHBondContact O-N 2.82Å; L281-K283 HydrophobicContact CD2-CD 4.28Å; L281-K283 HydrophobicContact CD2-CG 3.42Å; L281-K283 VanDerWaalsContact CD2-CG 3.42Å
282	I	50	Low	37.8	Very low	0 Å²	0	77.2 Å²	77.2	0%	0	39%	0.389	C	S	.	.			trans	-85	109.3	177.8	-74.4	-179.5	0	0	0	108.8	H148 W194 L198 Y204 V206 E207 M280	H148-I282 HydrophobicContact CB-CB 3.93Å; H148-I282 HydrophobicContact CB-CD1 3.98Å; H148-I282 HydrophobicContact CB-CG1 4.26Å; W194-I282 HydrophobicContact CD2-CD1 4.35Å; W194-I282 HydrophobicContact CE3-CD1 3.63Å; W194-I282 HydrophobicContact CH2-CD1 3.87Å; W194-I282 HydrophobicContact CZ3-CD1 3.34Å; W194-I282 HydrophobicContact CZ3-CG1 4.24Å; L198-I282 HydrophobicContact CD2-CD1 3.45Å; L198-I282 VanDerWaalsContact CD2-CD1 3.45Å; L198-I282 HydrophobicContact CD2-CG2 4.39Å; Y204-I282 HydrophobicContact CE2-CG2 4.48Å; V206-I282 HydrophobicContact CB-CB 4.42Å; V206-I282 HydrophobicContact CB-CG1 4.38Å; V206-I282 HydrophobicContact CB-CG2 3.79Å; V206-I282 HydrophobicContact CG1-CG2 3.43Å; V206-I282 VanDerWaalsContact CG1-CG2 3.43Å; E207-I282 WeakPolarHBondContact O-CA 3.26Å; M280-I282 HydrophobicContact CE-CD1 3.49Å; M280-I282 VanDerWaalsContact CE-CD1 3.49Å; M280-I282 HydrophobicContact CE-CG1 3.4Å
283	K	44.5	Very low	36.9	Very low	26 Å²	26	73.9 Å²	73.9	11%	0.113	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.1	170	-60.4	-163.5	-163.8	144.2	0	110.4	L145 V206 E207 L281 L285	L145-K283 HydrophobicContact CD1-CD 4.22Å; L145-K283 HydrophobicContact CD2-CB 3.8Å; L145-K283 HydrophobicContact CD2-CD 3.7Å; L145-K283 HydrophobicContact CD2-CG 3.76Å; V206-K283 WeakPolarHBondContact CA-O 3.45Å; E207-K283 HydrophobicContact CB-CB 3.94Å; E207-K283 HydrophobicContact CB-CD 4.47Å; E207-K283 HydrophobicContact CB-CG 4.16Å; E207-K283 PolarHBondContact O-N 2.7Å; E207-K283 IonicContact OE1-NZ 3.8Å; E207-K283 PolarHBondContact OE1-NZ 2.71Å; E207-K283 VanDerWaalsContact OE2-CD 3.24Å; E207-K283 WeakPolarHBondContact OE2-CD 3.49Å; E207-K283 WeakPolarHBondContact OE2-CE 3.4Å; E207-K283 IonicContact OE2-NZ 2.71Å; E207-K283 PolarHBondContact OE2-NZ 2.88Å; L281-K283 HydrophobicContact CD2-CD 4.28Å; L281-K283 HydrophobicContact CD2-CG 3.42Å; L281-K283 VanDerWaalsContact CD2-CG 3.42Å; K283-L285 PolarHBondContact O-N 3.15Å
284	R	39.7	Very low	36.4	Very low	82 Å²	82	80.5 Å²	80.5	31%	0.309	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.9	176	-172.2	-177.9	-174.3	-169.5	1.8	110.7	Y204	Y204-R284 HydrophobicContact CD2-CG 4.3Å
285	L	35.9	Very low	36.5	Very low	63 Å²	63	79 Å²	79	33%	0.33	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-90.5	118.5	163.9	-72.4	161.9	0	0	0	108.1	I205 K283	I205-L285 HydrophobicContact CB-CD1 4.46Å; I205-L285 HydrophobicContact CG2-CD1 4.33Å; K283-L285 PolarHBondContact O-N 3.15Å
286	H	29.5	Very low	36.4	Very low	141 Å²	141	81.6 Å²	81.6	65%	0.653	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-58.9	139.7	176.6	-84.5	-80.8	0	0	0	111.2
287	P	28.2	Very low	36.9	Very low	106 Å²	106	76.2 Å²	76.2	69%	0.688	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-64.9	139	-168.3	22.2	-31.2	0	0	0	113.8
288	F	24.4	Very low	37.6	Very low	102 Å²	102	69.1 Å²	69.1	45%	0.447	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-81.8	133.4	177.3	-74	-110.4	0	0	0	110.2	Y250	Y250-F288 HydrophobicContact CE2-CB 4.24Å; Y250-F288 HydrophobicContact CE2-CD1 4.47Å; Y250-F288 HydrophobicContact CE2-CG 4.18Å
289	D	24.2	Very low	37.7	Very low	123 Å²	123	74 Å²	74	66%	0.658	40%	0.396	S	S	*	.			trans	-122.9	79.4	169.4	-122.6	-23.4	0	0	0	110.9
290	I	27.2	Very low	38.6	Very low	41 Å²	41	74.5 Å²	74.5	21%	0.21	40%	0.4	C	S	.	.			trans	-72	71.8	159.1	11.3	155.3	0	0	0	117.3	R292 V340 K344	I290-R292 PolarHBondContact O-N 3.31Å; I290-V340 HydrophobicContact CD1-CG1 3.7Å; I290-K344 HydrophobicContact CD1-CD 3.53Å; I290-K344 HydrophobicContact CG1-CD 3.56Å; I290-K344 HydrophobicContact CG2-CD 4.29Å
291	G	26.8	Very low	38.9	Very low	41 Å²	41	75.4 Å²	75.4	42%	0.423	40%	0.404	S	S	.	.			trans	-53.8	96.3	168.2	0	0	0	0	0	112.6	S293	G291-S293 PolarHBondContact O-N 2.99Å
292	R	29.4	Very low	39	Very low	230 Å²	230	76.9 Å²	76.9	87%	0.868	42%	0.415	S	S	*	.	S	Bend	trans	68	6	163	-66.9	-174.2	173.7	173.9	-0.4	120.3	I290	I290-R292 PolarHBondContact O-N 3.31Å
293	S	32.3	Very low	38.5	Very low	41 Å²	41	80.5 Å²	80.5	29%	0.287	45%	0.452	S	S	.	.			trans	-97.5	119.7	165.8	-175.4	0	0	0	0	110.6	G291 T295 V340	G291-S293 PolarHBondContact O-N 2.99Å; S293-T295 PolarHBondContact O-N 3.16Å; S293-T295 PolarHBondContact OG-N 3.45Å; S293-V340 WeakPolarHBondContact OG-CG2 3.42Å
294	I	39	Very low	38.6	Very low	179 Å²	179	81.9 Å²	81.9	92%	0.918	46%	0.456	S	S	*	.			trans	-70.2	-7.8	169.6	49.2	171.3	0	0	0	112.5
295	T	42.7	Very low	38.8	Very low	39 Å²	39	80.3 Å²	80.3	24%	0.239	45%	0.45	C	S	.	.	S	Bend	trans	-92.9	119.7	-174.7	-43.7	0	0	0	0	110.5	S293 D336 S337	S293-T295 PolarHBondContact O-N 3.16Å; S293-T295 PolarHBondContact OG-N 3.45Å; T295-D336 HydrophobicContact CG2-CB 4.1Å; T295-S337 WeakPolarHBondContact CG2-OG 3.27Å
296	A	40.1	Very low	39.5	Very low	72 Å²	72	78.8 Å²	78.8	60%	0.595	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-63.7	140.8	175.6	0	0	0	0	0	111	S337	A296-S337 WeakPolarHBondContact O-CA 3.46Å; A296-S337 WeakPolarHBondContact O-CB 3.31Å; A296-S337 PolarHBondContact O-OG 3.05Å; A296-S337 VanDerWaalsContact O-OG 3.1Å
297	P	47.1	Very low	40.2	Very low	32 Å²	32	72.5 Å²	72.5	21%	0.208	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.6	177.8	27.9	-33.7	0	0	0	111.6	L299 S337 V340 A341	P297-L299 PolarHBondContact O-N 2.96Å; P297-S337 WeakPolarHBondContact CA-O 3.13Å; P297-V340 HydrophobicContact CB-CB 4.34Å; P297-V340 HydrophobicContact CB-CG1 3.92Å; P297-V340 HydrophobicContact CG-CG1 4.48Å; P297-A341 HydrophobicContact CB-CB 4.17Å
298	T	54.8	Low	41	Very low	35 Å²	35	74 Å²	74	22%	0.215	41%	0.41	C	S	.	.			trans	-67.6	105.8	170.9	-55.9	0	0	0	0	109.3	S300 K301 C302 S337 D338	T298-S300 VanDerWaalsContact C-N 3.27Å; T298-S300 WeakPolarHBondContact CG2-OG 3.4Å; T298-S300 PolarHBondContact O-N 2.74Å; T298-K301 HydrophobicContact CG2-CB 4.3Å; T298-K301 HydrophobicContact CG2-CD 4.29Å; T298-K301 HydrophobicContact CG2-CG 3.87Å; T298-K301 PolarHBondContact O-N 3.48Å; T298-C302 PolarHBondContact O-N 2.94Å; T298-C302 PolarHBondContact O-SG 3.28Å; T298-S337 PolarHBondContact N-O 3.16Å; T298-S337 WeakPolarHBondContact OG1-CB 3.05Å; T298-D338 WeakPolarHBondContact CB-OD1 3.29Å; T298-D338 PolarHBondContact OG1-OD1 2.98Å
299	L	45	Very low	42.6	Very low	120 Å²	120	71.4 Å²	71.4	63%	0.628	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-56.6	-38.1	-172.6	-71.7	170.9	0	0	0	113	V133 P297 K301 C302	V133-L299 HydrophobicContact CG2-CD1 4.5Å; P297-L299 PolarHBondContact O-N 2.96Å; L299-K301 PolarHBondContact O-N 3.16Å; L299-C302 WeakPolarHBondContact O-CB 3.37Å; L299-C302 PolarHBondContact O-N 3.14Å
300	S	57.6	Low	45	Very low	73 Å²	73	69.3 Å²	69.3	51%	0.51	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-68.5	-20.3	178.7	57.8	0	0	0	0	114.3	T298 R304	T298-S300 VanDerWaalsContact C-N 3.27Å; T298-S300 WeakPolarHBondContact CG2-OG 3.4Å; T298-S300 PolarHBondContact O-N 2.74Å; S300-R304 PolarHBondContact O-NE 3.45Å; S300-R304 VanDerWaalsContact O-NE 3.13Å
301	K	54.8	Low	47.2	Very low	21 Å²	21	70.6 Å²	70.6	9%	0.091	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-100.1	-7.6	178	-57.1	-166.4	-167.7	171.4	0	113.1	T298 L299 W306 L327 D332 E334 D338 A341	T298-K301 HydrophobicContact CG2-CB 4.3Å; T298-K301 HydrophobicContact CG2-CD 4.29Å; T298-K301 HydrophobicContact CG2-CG 3.87Å; T298-K301 PolarHBondContact O-N 3.48Å; L299-K301 PolarHBondContact O-N 3.16Å; K301-W306 HydrophobicContact CB-CH2 4.25Å; K301-W306 HydrophobicContact CB-CZ2 3.88Å; K301-W306 HydrophobicContact CD-CH2 3.98Å; K301-W306 HydrophobicContact CD-CZ2 4.48Å; K301-L327 HydrophobicContact CB-CD1 3.76Å; K301-L327 HydrophobicContact CD-CD1 4.15Å; K301-L327 HydrophobicContact CG-CD1 3.86Å; K301-D332 WeakPolarHBondContact CD-O 3.43Å; K301-D332 PolarHBondContact NZ-O 2.81Å; K301-E334 IonicContact NZ-OE2 3.63Å; K301-E334 PolarHBondContact NZ-OE2 3.36Å; K301-D338 HydrophobicContact CD-CB 4.05Å; K301-D338 VanDerWaalsContact CD-OD1 3.24Å; K301-D338 WeakPolarHBondContact CD-OD1 2.87Å; K301-D338 WeakPolarHBondContact CE-OD1 3.31Å; K301-D338 IonicContact NZ-OD1 2.86Å; K301-D338 PolarHBondContact NZ-OD1 3.18Å; K301-D338 IonicContact NZ-OD2 3.87Å; K301-D338 PolarHBondContact NZ-OD2 3.41Å; K301-A341 HydrophobicContact CB-CB 4.09Å
302	C	45.8	Very low	48.4	Very low	48 Å²	48	69.1 Å²	69.1	32%	0.324	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	142.7	174	-66.8	0	0	0	0	110.9	T298 L299 R304	T298-C302 PolarHBondContact O-N 2.94Å; T298-C302 PolarHBondContact O-SG 3.28Å; L299-C302 WeakPolarHBondContact O-CB 3.37Å; L299-C302 PolarHBondContact O-N 3.14Å; C302-R304 PolarHBondContact O-N 3.24Å; C302-R304 VanDerWaalsContact O-N 3.11Å
303	G	40	Very low	49.9	Very low	75 Å²	75	58.2 Å²	58.2	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	5	177.9	0	0	0	0	0	115
304	R	45.7	Very low	51.8	Low	55 Å²	55	59.2 Å²	59.2	21%	0.208	35%	0.349	C	S	.	.			trans	-82.4	157.2	170.5	-56	-70.7	-172.4	-178.1	-4.1	110.4	S300 C302 W306 D324 L327	S300-R304 PolarHBondContact O-NE 3.45Å; S300-R304 VanDerWaalsContact O-NE 3.13Å; C302-R304 PolarHBondContact O-N 3.24Å; C302-R304 VanDerWaalsContact O-N 3.11Å; R304-W306 PolarHBondContact O-NE1 3.33Å; R304-D324 VanDerWaalsContact CD-O 3.26Å; R304-D324 WeakPolarHBondContact CD-O 3.43Å; R304-D324 VanDerWaalsContact CZ-O 3.23Å; R304-D324 PolarHBondContact NE-O 3.15Å; R304-D324 VanDerWaalsContact NH1-C 3.3Å; R304-D324 PolarHBondContact NH1-O 2.91Å; R304-L327 HydrophobicContact CB-CD1 3.61Å; R304-L327 HydrophobicContact CB-CG 3.77Å; R304-L327 HydrophobicContact CG-CD1 3.77Å; R304-L327 HydrophobicContact CG-CG 4.11Å
305	W	44.5	Very low	52.9	Low	49 Å²	49	54.5 Å²	54.5	19%	0.186	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.3	175.9	-71.5	88.4	0	0	0	110.6	R102 F104 L325 Y326 L327	R102-W305 HydrophobicContact CB-CH2 3.32Å; R102-W305 HydrophobicContact CB-CZ2 3.91Å; R102-W305 HydrophobicContact CB-CZ3 3.99Å; R102-W305 HydrophobicContact CG-CH2 4.16Å; R102-W305 HydrophobicContact CG-CZ3 4.35Å; R102-W305 WeakPolarHBondContact O-CZ2 3.5Å; F104-W305 AromaticContact CD2-CH2 3.34Å; F104-W305 HydrophobicContact CD2-CH2 3.34Å; F104-W305 HydrophobicContact CD2-CZ2 4.31Å; F104-W305 AromaticContact CD2-CZ3 3.97Å; F104-W305 HydrophobicContact CD2-CZ3 3.97Å; F104-W305 HydrophobicContact CE1-CH2 4.38Å; F104-W305 HydrophobicContact CE2-CE3 4.42Å; F104-W305 AromaticContact CE2-CH2 3.08Å; F104-W305 HydrophobicContact CE2-CH2 3.08Å; F104-W305 HydrophobicContact CE2-CZ2 4.21Å; F104-W305 AromaticContact CE2-CZ3 3.22Å; F104-W305 HydrophobicContact CE2-CZ3 3.22Å; F104-W305 HydrophobicContact CG-CH2 4.12Å; F104-W305 AromaticContact CZ-CH2 3.63Å; F104-W305 HydrophobicContact CZ-CH2 3.63Å; F104-W305 AromaticContact CZ-CZ3 3.67Å; F104-W305 HydrophobicContact CZ-CZ3 3.67Å; W305-L325 WeakPolarHBondContact CB-O 3.43Å; W305-L325 PolarHBondContact N-O 2.71Å; W305-Y326 HydrophobicContact CB-CD1 3.36Å; W305-Y326 HydrophobicContact CB-CE1 3.58Å; W305-Y326 HydrophobicContact CB-CG 4.2Å; W305-Y326 HydrophobicContact CD2-CE1 4.34Å; W305-Y326 HydrophobicContact CG-CD1 4.01Å; W305-Y326 AromaticContact CG-CE1 3.7Å; W305-Y326 HydrophobicContact CG-CE1 3.7Å; W305-Y326 CarbonylContact O-C 3.53Å; W305-Y326 WeakPolarHBondContact O-CA 3.45Å; W305-L327 PolarHBondContact O-N 3.44Å
306	W	51.3	Low	53	Low	31 Å²	31	53.2 Å²	53.2	12%	0.117	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	-177.5	-62.6	79.4	0	0	0	111.2	K301 R304 L327 Y329 D332 L333 D338 A342	K301-W306 HydrophobicContact CB-CH2 4.25Å; K301-W306 HydrophobicContact CB-CZ2 3.88Å; K301-W306 HydrophobicContact CD-CH2 3.98Å; K301-W306 HydrophobicContact CD-CZ2 4.48Å; R304-W306 PolarHBondContact O-NE1 3.33Å; W306-L327 CarbonylContact C-O 3.51Å; W306-L327 VanDerWaalsContact CA-O 3.29Å; W306-L327 WeakPolarHBondContact CA-O 3.44Å; W306-L327 HydrophobicContact CD2-CB 4.06Å; W306-L327 HydrophobicContact CD2-CD1 4.45Å; W306-L327 HydrophobicContact CE3-CB 3.92Å; W306-L327 HydrophobicContact CH2-CD1 3.83Å; W306-L327 HydrophobicContact CZ2-CD1 3.66Å; W306-L327 HydrophobicContact CZ3-CB 4.15Å; W306-L327 HydrophobicContact CZ3-CD1 4.26Å; W306-Y329 HydrophobicContact CB-CD1 3.92Å; W306-Y329 HydrophobicContact CB-CE1 3.27Å; W306-Y329 HydrophobicContact CB-CE2 4.3Å; W306-Y329 VanDerWaalsContact CB-CZ 3.47Å; W306-Y329 HydrophobicContact CD2-CD1 4.2Å; W306-Y329 HydrophobicContact CD2-CE1 4.05Å; W306-Y329 AromaticContact CE3-CD1 3.66Å; W306-Y329 HydrophobicContact CE3-CD1 3.66Å; W306-Y329 AromaticContact CE3-CE1 3.99Å; W306-Y329 HydrophobicContact CE3-CE1 3.99Å; W306-Y329 HydrophobicContact CG-CD1 4.36Å; W306-Y329 AromaticContact CG-CE1 3.8Å; W306-Y329 HydrophobicContact CG-CE1 3.8Å; W306-D332 HydrophobicContact CH2-CB 4.35Å; W306-D332 HydrophobicContact CZ3-CB 3.82Å; W306-L333 HydrophobicContact CE3-CD2 4.38Å; W306-L333 HydrophobicContact CE3-CG 4.22Å; W306-L333 HydrophobicContact CH2-CD2 3.85Å; W306-L333 HydrophobicContact CH2-CG 4.29Å; W306-L333 HydrophobicContact CZ3-CD2 3.68Å; W306-L333 HydrophobicContact CZ3-CG 3.63Å; W306-D338 HydrophobicContact CH2-CB 4.3Å; W306-A342 HydrophobicContact CD2-CB 3.61Å; W306-A342 HydrophobicContact CE3-CB 4.08Å; W306-A342 HydrophobicContact CG-CB 4.07Å; W306-A342 HydrophobicContact CH2-CB 4.03Å; W306-A342 HydrophobicContact CZ2-CB 3.56Å; W306-A342 HydrophobicContact CZ3-CB 4.28Å
307	T	43.9	Very low	53.5	Low	10 Å²	10	50.2 Å²	50.2	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	164.1	173.1	62.2	0	0	0	0	110.9	T309 A312 S313 I316 L327 A328 Y329	T307-T309 PolarHBondContact OG1-O 2.99Å; T307-A312 HydrophobicContact CG2-CB 4.31Å; T307-S313 WeakPolarHBondContact OG1-CA 3.08Å; T307-S313 VanDerWaalsContact OG1-CB 3.26Å; T307-S313 WeakPolarHBondContact OG1-CB 3.11Å; T307-S313 PolarHBondContact OG1-N 3.46Å; T307-I316 HydrophobicContact CG2-CD1 3.44Å; T307-I316 VanDerWaalsContact CG2-CD1 3.44Å; T307-L327 PolarHBondContact N-O 3.4Å; T307-L327 PolarHBondContact OG1-O 3.07Å; T307-A328 CarbonylContact O-C 3.59Å; T307-A328 VanDerWaalsContact O-CA 3.23Å; T307-A328 WeakPolarHBondContact O-CA 3.3Å; T307-Y329 VanDerWaalsContact O-CD2 3.27Å; T307-Y329 WeakPolarHBondContact O-CD2 3.02Å; T307-Y329 PolarHBondContact O-N 3.05Å
308	E	44.6	Very low	54.2	Low	138 Å²	138	57.9 Å²	57.9	65%	0.645	31%	0.311	S	S	*	.	S	Bend	trans	-60.6	-54.9	174.9	-172.1	-177.1	-167.1	0	0	112.2	E330	E308-E330 WeakPolarHBondContact O-CB 3.27Å; E308-E330 PolarHBondContact O-N 3.07Å
309	T	57.2	Low	53.7	Low	47 Å²	47	60.8 Å²	60.8	29%	0.288	32%	0.323	S	S	.	.	S	Bend	trans	-115.9	156	-171.9	59.8	0	0	0	0	112.5	T307 A311 A312 S313 A328 E330	T307-T309 PolarHBondContact OG1-O 2.99Å; T309-A311 PolarHBondContact O-N 3.06Å; T309-A312 WeakPolarHBondContact O-CB 3.47Å; T309-A312 PolarHBondContact O-N 2.91Å; T309-A312 VanDerWaalsContact O-N 3.11Å; T309-A312 WeakPolarHBondContact OG1-CB 3.49Å; T309-A312 PolarHBondContact OG1-N 3.24Å; T309-S313 PolarHBondContact O-N 2.98Å; T309-S313 VanDerWaalsContact O-N 3.1Å; T309-A328 WeakPolarHBondContact O-CB 3.49Å; T309-E330 WeakPolarHBondContact CA-OE2 2.92Å; T309-E330 WeakPolarHBondContact CB-OE2 3.45Å
310	K	75.8	Confident	53.3	Low	79 Å²	79	56.7 Å²	56.7	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-38.2	174.3	-175.2	56.1	173.6	176	0	111.7	A312 S313 D314 A328 E330 T331	K310-A312 VanDerWaalsContact C-N 3.3Å; K310-A312 PolarHBondContact O-N 3.07Å; K310-S313 PolarHBondContact O-N 3Å; K310-D314 WeakPolarHBondContact CE-OD1 3.4Å; K310-D314 IonicContact NZ-OD1 3.38Å; K310-D314 PolarHBondContact NZ-OD1 3.26Å; K310-D314 WeakPolarHBondContact O-CB 3.44Å; K310-D314 PolarHBondContact O-N 3.15Å; K310-A328 HydrophobicContact CB-CB 4.38Å; K310-E330 PolarHBondContact N-OE2 2.91Å; K310-E330 VanDerWaalsContact N-OE2 3.11Å; K310-T331 HydrophobicContact CB-CG2 3.92Å; K310-T331 HydrophobicContact CG-CG2 4.42Å
311	A	73.4	Confident	52.5	Low	67 Å²	67	55.3 Å²	55.3	55%	0.554	30%	0.301	S	S	*	.	H	α-helix	trans	-60.6	-36.2	175.5	0	0	0	0	0	113.1	T309 R315	T309-A311 PolarHBondContact O-N 3.06Å; A311-R315 VanDerWaalsContact O-CB 3.27Å; A311-R315 WeakPolarHBondContact O-CB 3.12Å; A311-R315 PolarHBondContact O-N 3.41Å
312	A	52	Low	51.9	Low	11 Å²	11	54.7 Å²	54.7	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-46.1	175.2	0	0	0	0	0	111.4	T307 T309 K310 R315 I316	T307-A312 HydrophobicContact CG2-CB 4.31Å; T309-A312 WeakPolarHBondContact O-CB 3.47Å; T309-A312 PolarHBondContact O-N 2.91Å; T309-A312 VanDerWaalsContact O-N 3.11Å; T309-A312 WeakPolarHBondContact OG1-CB 3.49Å; T309-A312 PolarHBondContact OG1-N 3.24Å; K310-A312 VanDerWaalsContact C-N 3.3Å; K310-A312 PolarHBondContact O-N 3.07Å; A312-R315 PolarHBondContact O-N 3.06Å; A312-I316 WeakPolarHBondContact O-CD1 3.38Å; A312-I316 VanDerWaalsContact O-CG1 3.23Å; A312-I316 WeakPolarHBondContact O-CG1 3.16Å; A312-I316 PolarHBondContact O-N 2.88Å; A312-I316 VanDerWaalsContact O-N 3.08Å
313	S	59.8	Low	52.2	Low	1 Å²	1	56.1 Å²	56.1	1%	0.007	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-52.8	172.9	169.7	0	0	0	0	110.8	T307 T309 K310 R315 I316 A317 Y326	T307-S313 WeakPolarHBondContact OG1-CA 3.08Å; T307-S313 VanDerWaalsContact OG1-CB 3.26Å; T307-S313 WeakPolarHBondContact OG1-CB 3.11Å; T307-S313 PolarHBondContact OG1-N 3.46Å; T309-S313 PolarHBondContact O-N 2.98Å; T309-S313 VanDerWaalsContact O-N 3.1Å; K310-S313 PolarHBondContact O-N 3Å; S313-R315 VanDerWaalsContact C-N 3.29Å; S313-R315 PolarHBondContact O-N 3.5Å; S313-I316 PolarHBondContact O-N 3.4Å; S313-I316 VanDerWaalsContact O-N 3.11Å; S313-A317 VanDerWaalsContact O-CB 3.27Å; S313-A317 WeakPolarHBondContact O-CB 3.08Å; S313-A317 PolarHBondContact O-N 2.99Å; S313-Y326 VanDerWaalsContact OG-CB 3.25Å; S313-Y326 WeakPolarHBondContact OG-CB 3.17Å; S313-Y326 PolarHBondContact OG-O 3.36Å
314	D	72	Confident	53	Low	61 Å²	61	56.9 Å²	56.9	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-32.7	-178	-67.5	-14.2	0	0	0	112.8	K310 R318	K310-D314 WeakPolarHBondContact CE-OD1 3.4Å; K310-D314 IonicContact NZ-OD1 3.38Å; K310-D314 PolarHBondContact NZ-OD1 3.26Å; K310-D314 WeakPolarHBondContact O-CB 3.44Å; K310-D314 PolarHBondContact O-N 3.15Å; D314-R318 WeakPolarHBondContact O-CB 3.46Å; D314-R318 VanDerWaalsContact O-CG 3.23Å; D314-R318 WeakPolarHBondContact O-CG 3.38Å; D314-R318 PolarHBondContact O-N 3.47Å; D314-R318 VanDerWaalsContact O-N 3.11Å; D314-R318 PolarHBondContact O-NE 3.12Å
315	R	62.7	Low	53.2	Low	80 Å²	80	55.9 Å²	55.9	30%	0.302	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-47.3	173.9	-176.9	-179.1	67.1	-143.9	-1.4	110.7	W60 A311 A312 S313 R318 Q319	W60-R315 VanDerWaalsContact CE3-NH2 3.29Å; A311-R315 VanDerWaalsContact O-CB 3.27Å; A311-R315 WeakPolarHBondContact O-CB 3.12Å; A311-R315 PolarHBondContact O-N 3.41Å; A312-R315 PolarHBondContact O-N 3.06Å; S313-R315 VanDerWaalsContact C-N 3.29Å; S313-R315 PolarHBondContact O-N 3.5Å; R315-R318 PolarHBondContact O-N 2.66Å; R315-Q319 WeakPolarHBondContact O-CG 3.16Å; R315-Q319 PolarHBondContact O-N 2.97Å
316	I	44.7	Very low	53.7	Low	12 Å²	12	55.2 Å²	55.2	6%	0.062	29%	0.29	C	S	.	.	H	α-helix	trans	-70.7	-44.5	-178.6	-56.9	162	0	0	0	110.4	W60 T307 A312 S313 R318 Q319 C320 Y326	W60-I316 HydrophobicContact CH2-CD1 3.29Å; W60-I316 HydrophobicContact CH2-CG1 4.09Å; W60-I316 HydrophobicContact CZ3-CD1 3.52Å; W60-I316 HydrophobicContact CZ3-CG1 3.77Å; T307-I316 HydrophobicContact CG2-CD1 3.44Å; T307-I316 VanDerWaalsContact CG2-CD1 3.44Å; A312-I316 WeakPolarHBondContact O-CD1 3.38Å; A312-I316 VanDerWaalsContact O-CG1 3.23Å; A312-I316 WeakPolarHBondContact O-CG1 3.16Å; A312-I316 PolarHBondContact O-N 2.88Å; A312-I316 VanDerWaalsContact O-N 3.08Å; S313-I316 PolarHBondContact O-N 3.4Å; S313-I316 VanDerWaalsContact O-N 3.11Å; I316-R318 VanDerWaalsContact C-N 3.26Å; I316-R318 PolarHBondContact O-N 3.4Å; I316-Q319 CarbonylContact O-C 3.57Å; I316-Q319 PolarHBondContact O-N 3.06Å; I316-C320 WeakPolarHBondContact CG2-SG 3.17Å; I316-C320 WeakPolarHBondContact O-CB 3.28Å; I316-C320 PolarHBondContact O-N 2.7Å; I316-C320 PolarHBondContact O-SG 2.77Å; I316-Y326 HydrophobicContact CB-CD1 4.07Å; I316-Y326 HydrophobicContact CB-CE1 4.12Å; I316-Y326 HydrophobicContact CB-CG 4.33Å; I316-Y326 HydrophobicContact CD1-CD1 4.28Å; I316-Y326 HydrophobicContact CD1-CE1 4.49Å; I316-Y326 HydrophobicContact CG2-CD1 3.71Å; I316-Y326 HydrophobicContact CG2-CD2 4.23Å; I316-Y326 HydrophobicContact CG2-CE1 3.24Å; I316-Y326 HydrophobicContact CG2-CE2 3.81Å; I316-Y326 HydrophobicContact CG2-CG 4.2Å
317	A	51	Low	53.9	Low	10 Å²	10	54.7 Å²	54.7	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-49.1	-47.4	171.8	0	0	0	0	0	112.1	S313 G321 C322 Y326	S313-A317 VanDerWaalsContact O-CB 3.27Å; S313-A317 WeakPolarHBondContact O-CB 3.08Å; S313-A317 PolarHBondContact O-N 2.99Å; A317-G321 PolarHBondContact O-N 3.4Å; A317-C322 PolarHBondContact O-N 3.27Å; A317-Y326 HydrophobicContact CB-CD2 4.24Å
318	R	61.1	Low	54.8	Low	192 Å²	192	54.2 Å²	54.2	73%	0.725	29%	0.287	S	S	*	.	H	α-helix	trans	-64.7	-40.7	175.4	-78.6	-179.8	-70.4	-166.2	-0.4	113.2	D314 R315 I316	D314-R318 WeakPolarHBondContact O-CB 3.46Å; D314-R318 VanDerWaalsContact O-CG 3.23Å; D314-R318 WeakPolarHBondContact O-CG 3.38Å; D314-R318 PolarHBondContact O-N 3.47Å; D314-R318 VanDerWaalsContact O-N 3.11Å; D314-R318 PolarHBondContact O-NE 3.12Å; R315-R318 PolarHBondContact O-N 2.66Å; I316-R318 VanDerWaalsContact C-N 3.26Å; I316-R318 PolarHBondContact O-N 3.4Å
319	Q	44.8	Very low	55.4	Low	96 Å²	96	51.4 Å²	51.4	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-71.7	-34.4	179.9	-74.7	172.1	-22.6	0	0	112.7	N64 R315 I316	N64-Q319 PolarHBondContact OD1-NE2 3.41Å; R315-Q319 WeakPolarHBondContact O-CG 3.16Å; R315-Q319 PolarHBondContact O-N 2.97Å; I316-Q319 CarbonylContact O-C 3.57Å; I316-Q319 PolarHBondContact O-N 3.06Å
320	C	37.5	Very low	55.7	Low	35 Å²	35	55.4 Å²	55.4	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-93.1	-16.4	-173.5	-56.5	0	0	0	0	113.7	K107 I316 C322 Y326	K107-C320 PolarHBondContact NZ-O 3.47Å; I316-C320 WeakPolarHBondContact CG2-SG 3.17Å; I316-C320 WeakPolarHBondContact O-CB 3.28Å; I316-C320 PolarHBondContact O-N 2.7Å; I316-C320 PolarHBondContact O-SG 2.77Å; C320-C322 VanDerWaalsContact C-N 3.32Å; C320-Y326 HydrophobicContact CB-CE2 4.04Å; C320-Y326 PolarHBondContact SG-OH 2.97Å; C320-Y326 VanDerWaalsContact SG-OH 3.39Å
321	G	40.7	Very low	55.7	Low	44 Å²	44	54.5 Å²	54.5	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	20.5	-174.9	0	0	0	0	0	113.9	N123 A317	N123-G321 PolarHBondContact ND2-O 3.07Å; A317-G321 PolarHBondContact O-N 3.4Å
322	C	42.3	Very low	55.5	Low	7 Å²	7	52.7 Å²	52.7	5%	0.047	27%	0.269	C	S	.	.			trans	-128.5	76.6	-172.1	-62.9	0	0	0	0	110.4	A317 C320 D324 L325 Y326	A317-C322 PolarHBondContact O-N 3.27Å; C320-C322 VanDerWaalsContact C-N 3.32Å; C322-D324 PolarHBondContact O-N 2.94Å; C322-L325 HydrophobicContact CB-CB 4Å; C322-L325 HydrophobicContact CB-CD1 3.67Å; C322-L325 HydrophobicContact CB-CG 4.47Å; C322-L325 PolarHBondContact O-N 2.48Å; C322-Y326 HydrophobicContact CB-CE2 4.38Å; C322-Y326 WeakPolarHBondContact O-CD2 3.35Å
323	P	52	Low	56.1	Low	79 Å²	79	53 Å²	53	51%	0.513	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.9	-30.2	-172.3	24.6	-33.4	0	0	0	113.8
324	D	56.9	Low	56.5	Low	91 Å²	91	58.7 Å²	58.7	49%	0.487	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-89.8	-11	-173.7	-53.9	-42.6	0	0	0	112.9	R304 C322	R304-D324 VanDerWaalsContact CD-O 3.26Å; R304-D324 WeakPolarHBondContact CD-O 3.43Å; R304-D324 VanDerWaalsContact CZ-O 3.23Å; R304-D324 PolarHBondContact NE-O 3.15Å; R304-D324 VanDerWaalsContact NH1-C 3.3Å; R304-D324 PolarHBondContact NH1-O 2.91Å; C322-D324 PolarHBondContact O-N 2.94Å
325	L	48.8	Very low	55.9	Low	33 Å²	33	57.4 Å²	57.4	17%	0.173	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-82.6	-13.6	-173.4	-105.9	148.4	0	0	0	113.7	A126 W305 C322	A126-L325 HydrophobicContact CB-CD1 3.52Å; A126-L325 HydrophobicContact CB-CG 4Å; W305-L325 WeakPolarHBondContact CB-O 3.43Å; W305-L325 PolarHBondContact N-O 2.71Å; C322-L325 HydrophobicContact CB-CB 4Å; C322-L325 HydrophobicContact CB-CD1 3.67Å; C322-L325 HydrophobicContact CB-CG 4.47Å; C322-L325 PolarHBondContact O-N 2.48Å
326	Y	54.2	Low	55.4	Low	35 Å²	35	58 Å²	58	14%	0.137	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.3	-173.4	-60.5	-86.6	0	0	0	111.6	W305 S313 I316 A317 C320 C322	W305-Y326 HydrophobicContact CB-CD1 3.36Å; W305-Y326 HydrophobicContact CB-CE1 3.58Å; W305-Y326 HydrophobicContact CB-CG 4.2Å; W305-Y326 HydrophobicContact CD2-CE1 4.34Å; W305-Y326 HydrophobicContact CG-CD1 4.01Å; W305-Y326 AromaticContact CG-CE1 3.7Å; W305-Y326 HydrophobicContact CG-CE1 3.7Å; W305-Y326 CarbonylContact O-C 3.53Å; W305-Y326 WeakPolarHBondContact O-CA 3.45Å; S313-Y326 VanDerWaalsContact OG-CB 3.25Å; S313-Y326 WeakPolarHBondContact OG-CB 3.17Å; S313-Y326 PolarHBondContact OG-O 3.36Å; I316-Y326 HydrophobicContact CB-CD1 4.07Å; I316-Y326 HydrophobicContact CB-CE1 4.12Å; I316-Y326 HydrophobicContact CB-CG 4.33Å; I316-Y326 HydrophobicContact CD1-CD1 4.28Å; I316-Y326 HydrophobicContact CD1-CE1 4.49Å; I316-Y326 HydrophobicContact CG2-CD1 3.71Å; I316-Y326 HydrophobicContact CG2-CD2 4.23Å; I316-Y326 HydrophobicContact CG2-CE1 3.24Å; I316-Y326 HydrophobicContact CG2-CE2 3.81Å; I316-Y326 HydrophobicContact CG2-CG 4.2Å; A317-Y326 HydrophobicContact CB-CD2 4.24Å; C320-Y326 HydrophobicContact CB-CE2 4.04Å; C320-Y326 PolarHBondContact SG-OH 2.97Å; C320-Y326 VanDerWaalsContact SG-OH 3.39Å; C322-Y326 HydrophobicContact CB-CE2 4.38Å; C322-Y326 WeakPolarHBondContact O-CD2 3.35Å
327	L	57.1	Low	55.9	Low	21 Å²	21	58.8 Å²	58.8	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	159	174.4	-61.7	-176.6	0	0	0	109	K301 R304 W305 W306 T307 D332	K301-L327 HydrophobicContact CB-CD1 3.76Å; K301-L327 HydrophobicContact CD-CD1 4.15Å; K301-L327 HydrophobicContact CG-CD1 3.86Å; R304-L327 HydrophobicContact CB-CD1 3.61Å; R304-L327 HydrophobicContact CB-CG 3.77Å; R304-L327 HydrophobicContact CG-CD1 3.77Å; R304-L327 HydrophobicContact CG-CG 4.11Å; W305-L327 PolarHBondContact O-N 3.44Å; W306-L327 CarbonylContact C-O 3.51Å; W306-L327 VanDerWaalsContact CA-O 3.29Å; W306-L327 WeakPolarHBondContact CA-O 3.44Å; W306-L327 HydrophobicContact CD2-CB 4.06Å; W306-L327 HydrophobicContact CD2-CD1 4.45Å; W306-L327 HydrophobicContact CE3-CB 3.92Å; W306-L327 HydrophobicContact CH2-CD1 3.83Å; W306-L327 HydrophobicContact CZ2-CD1 3.66Å; W306-L327 HydrophobicContact CZ3-CB 4.15Å; W306-L327 HydrophobicContact CZ3-CD1 4.26Å; T307-L327 PolarHBondContact N-O 3.4Å; T307-L327 PolarHBondContact OG1-O 3.07Å; L327-D332 HydrophobicContact CB-CB 3.8Å; L327-D332 HydrophobicContact CD1-CB 4.35Å; L327-D332 HydrophobicContact CD2-CB 4.15Å; L327-D332 HydrophobicContact CG-CB 4.31Å
328	A	61.7	Low	56.3	Low	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.4	174.3	0	0	0	0	0	111.1	T307 T309 K310 E330 T331 D332	T307-A328 CarbonylContact O-C 3.59Å; T307-A328 VanDerWaalsContact O-CA 3.23Å; T307-A328 WeakPolarHBondContact O-CA 3.3Å; T309-A328 WeakPolarHBondContact O-CB 3.49Å; K310-A328 HydrophobicContact CB-CB 4.38Å; A328-E330 PolarHBondContact O-N 3.42Å; A328-T331 PolarHBondContact O-N 3.33Å; A328-D332 PolarHBondContact N-OD2 3.31Å; A328-D332 WeakPolarHBondContact O-CA 3.44Å; A328-D332 VanDerWaalsContact O-CB 3.24Å; A328-D332 WeakPolarHBondContact O-CB 3.2Å; A328-D332 PolarHBondContact O-N 3.26Å
329	Y	57.3	Low	55.8	Low	79 Å²	79	49.9 Å²	49.9	31%	0.31	27%	0.274	S	S	.	.	H	α-helix	trans	-56.3	-38.1	173.2	-61.1	-48.9	0	0	0	111.6	W306 T307 T331 L333 A342 F343	W306-Y329 HydrophobicContact CB-CD1 3.92Å; W306-Y329 HydrophobicContact CB-CE1 3.27Å; W306-Y329 HydrophobicContact CB-CE2 4.3Å; W306-Y329 VanDerWaalsContact CB-CZ 3.47Å; W306-Y329 HydrophobicContact CD2-CD1 4.2Å; W306-Y329 HydrophobicContact CD2-CE1 4.05Å; W306-Y329 AromaticContact CE3-CD1 3.66Å; W306-Y329 HydrophobicContact CE3-CD1 3.66Å; W306-Y329 AromaticContact CE3-CE1 3.99Å; W306-Y329 HydrophobicContact CE3-CE1 3.99Å; W306-Y329 HydrophobicContact CG-CD1 4.36Å; W306-Y329 AromaticContact CG-CE1 3.8Å; W306-Y329 HydrophobicContact CG-CE1 3.8Å; T307-Y329 VanDerWaalsContact O-CD2 3.27Å; T307-Y329 WeakPolarHBondContact O-CD2 3.02Å; T307-Y329 PolarHBondContact O-N 3.05Å; Y329-T331 VanDerWaalsContact C-N 3.32Å; Y329-T331 PolarHBondContact O-N 2.83Å; Y329-L333 HydrophobicContact CD1-CD1 3.54Å; Y329-L333 HydrophobicContact CD1-CG 4.11Å; Y329-L333 HydrophobicContact CG-CD1 4.06Å; Y329-L333 WeakPolarHBondContact O-CB 3.09Å; Y329-A342 HydrophobicContact CE1-CB 4.32Å; Y329-F343 HydrophobicContact CD1-CE2 4.45Å; Y329-F343 HydrophobicContact CD1-CZ 4Å; Y329-F343 HydrophobicContact CE1-CE1 4.01Å; Y329-F343 HydrophobicContact CE1-CE2 4.17Å; Y329-F343 AromaticContact CE1-CZ 3.51Å; Y329-F343 HydrophobicContact CE1-CZ 3.51Å; Y329-F343 AromaticContact CZ-CZ 3.99Å
330	E	63.6	Low	56	Low	131 Å²	131	46.2 Å²	46.2	61%	0.612	26%	0.258	S	S	*	.	H	α-helix	trans	-58.5	-38.3	178.8	-178.5	-178.8	-156.1	0	0	113.7	E308 T309 K310 A328	E308-E330 WeakPolarHBondContact O-CB 3.27Å; E308-E330 PolarHBondContact O-N 3.07Å; T309-E330 WeakPolarHBondContact CA-OE2 2.92Å; T309-E330 WeakPolarHBondContact CB-OE2 3.45Å; K310-E330 PolarHBondContact N-OE2 2.91Å; K310-E330 VanDerWaalsContact N-OE2 3.11Å; A328-E330 PolarHBondContact O-N 3.42Å
331	T	75.4	Confident	56.6	Low	60 Å²	60	45.2 Å²	45.2	37%	0.368	25%	0.252	S	S	.	.	H	α-helix	trans	-116.8	-27.8	-170.7	51.1	0	0	0	0	114.3	K310 A328 Y329	K310-T331 HydrophobicContact CB-CG2 3.92Å; K310-T331 HydrophobicContact CG-CG2 4.42Å; A328-T331 PolarHBondContact O-N 3.33Å; Y329-T331 VanDerWaalsContact C-N 3.32Å; Y329-T331 PolarHBondContact O-N 2.83Å
332	D	69.9	Low	56.8	Low	29 Å²	29	44.1 Å²	44.1	16%	0.155	24%	0.239	C	C	.	.	H	α-helix	trans	-106.4	-6	-168.9	-58.6	-82.8	0	0	0	113.3	K301 W306 L327 A328 E334	K301-D332 WeakPolarHBondContact CD-O 3.43Å; K301-D332 PolarHBondContact NZ-O 2.81Å; W306-D332 HydrophobicContact CH2-CB 4.35Å; W306-D332 HydrophobicContact CZ3-CB 3.82Å; L327-D332 HydrophobicContact CB-CB 3.8Å; L327-D332 HydrophobicContact CD1-CB 4.35Å; L327-D332 HydrophobicContact CD2-CB 4.15Å; L327-D332 HydrophobicContact CG-CB 4.31Å; A328-D332 PolarHBondContact N-OD2 3.31Å; A328-D332 WeakPolarHBondContact O-CA 3.44Å; A328-D332 VanDerWaalsContact O-CB 3.24Å; A328-D332 WeakPolarHBondContact O-CB 3.2Å; A328-D332 PolarHBondContact O-N 3.26Å; D332-E334 PolarHBondContact O-N 2.85Å
333	L	64.5	Low	56.7	Low	17 Å²	17	47.3 Å²	47.3	9%	0.089	25%	0.252	C	S	.	.			trans	-88.3	81.3	169	-76	175.8	0	0	0	111.1	W306 Y329 D338 A339 A342 F343 W362	W306-L333 HydrophobicContact CE3-CD2 4.38Å; W306-L333 HydrophobicContact CE3-CG 4.22Å; W306-L333 HydrophobicContact CH2-CD2 3.85Å; W306-L333 HydrophobicContact CH2-CG 4.29Å; W306-L333 HydrophobicContact CZ3-CD2 3.68Å; W306-L333 HydrophobicContact CZ3-CG 3.63Å; Y329-L333 HydrophobicContact CD1-CD1 3.54Å; Y329-L333 HydrophobicContact CD1-CG 4.11Å; Y329-L333 HydrophobicContact CG-CD1 4.06Å; Y329-L333 WeakPolarHBondContact O-CB 3.09Å; L333-D338 HydrophobicContact CD2-CB 4.01Å; L333-A339 HydrophobicContact CD2-CB 4.17Å; L333-A342 HydrophobicContact CD2-CB 3.92Å; L333-F343 HydrophobicContact CD1-CE2 4Å; L333-F343 HydrophobicContact CD2-CE2 4.45Å; L333-W362 HydrophobicContact CB-CH2 4.34Å; L333-W362 HydrophobicContact CB-CZ2 4.43Å; L333-W362 HydrophobicContact CD1-CH2 4.43Å; L333-W362 HydrophobicContact CD1-CZ2 3.85Å
334	E	67.6	Low	56.1	Low	120 Å²	120	47.7 Å²	47.7	56%	0.561	25%	0.246	S	C	*	.			trans	-98.9	-8.8	-174.6	-57.1	170.6	130.4	0	0	113.4	K301 D332 D338 R364	K301-E334 IonicContact NZ-OE2 3.63Å; K301-E334 PolarHBondContact NZ-OE2 3.36Å; D332-E334 PolarHBondContact O-N 2.85Å; E334-D338 WeakPolarHBondContact CA-OD2 3.17Å; E334-D338 WeakPolarHBondContact CB-OD2 3.48Å; E334-D338 PolarHBondContact N-OD2 2.9Å; E334-R364 VanDerWaalsContact C-CZ 3.49Å; E334-R364 VanDerWaalsContact C-NH2 3.29Å; E334-R364 PolarHBondContact O-NH1 2.75Å; E334-R364 PolarHBondContact O-NH2 2.97Å
335	S	61	Low	54.7	Low	34 Å²	34	47.5 Å²	47.5	24%	0.238	25%	0.249	C	C	.	.	S	Bend	trans	-157.1	166.5	-175.7	64.5	0	0	0	0	112.2	S337 D338 A339	S335-S337 PolarHBondContact O-N 2.91Å; S335-S337 WeakPolarHBondContact OG-CB 3.05Å; S335-S337 PolarHBondContact OG-N 2.87Å; S335-D338 PolarHBondContact N-OD2 3.26Å; S335-D338 WeakPolarHBondContact O-CB 3.43Å; S335-D338 PolarHBondContact O-N 2.82Å; S335-D338 VanDerWaalsContact O-N 3.1Å; S335-D338 PolarHBondContact OG-N 2.94Å; S335-D338 PolarHBondContact OG-OD1 3.1Å; S335-D338 PolarHBondContact OG-OD2 3.24Å; S335-A339 PolarHBondContact O-N 3.33Å; S335-A339 VanDerWaalsContact O-N 3.1Å
336	D	51.3	Low	53.7	Low	92 Å²	92	51 Å²	51	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-31.2	171.1	-66.7	-12.3	0	0	0	111.2	T295 D338 A339 V340	T295-D336 HydrophobicContact CG2-CB 4.1Å; D336-D338 VanDerWaalsContact C-N 3.3Å; D336-D338 PolarHBondContact O-N 2.95Å; D336-A339 PolarHBondContact O-N 3.21Å; D336-V340 VanDerWaalsContact O-CG2 3.26Å; D336-V340 WeakPolarHBondContact O-CG2 3.45Å; D336-V340 PolarHBondContact O-N 3.45Å
337	S	55.7	Low	52.4	Low	30 Å²	30	56.5 Å²	56.5	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-38.2	172.3	-52.7	0	0	0	0	112.4	T295 A296 P297 T298 S335 A341	T295-S337 WeakPolarHBondContact CG2-OG 3.27Å; A296-S337 WeakPolarHBondContact O-CA 3.46Å; A296-S337 WeakPolarHBondContact O-CB 3.31Å; A296-S337 PolarHBondContact O-OG 3.05Å; A296-S337 VanDerWaalsContact O-OG 3.1Å; P297-S337 WeakPolarHBondContact CA-O 3.13Å; T298-S337 PolarHBondContact N-O 3.16Å; T298-S337 WeakPolarHBondContact OG1-CB 3.05Å; S335-S337 PolarHBondContact O-N 2.91Å; S335-S337 WeakPolarHBondContact OG-CB 3.05Å; S335-S337 PolarHBondContact OG-N 2.87Å; S337-A341 WeakPolarHBondContact O-CB 3.37Å; S337-A341 PolarHBondContact O-N 3.42Å
338	D	59.4	Low	50.8	Low	4 Å²	4	60.4 Å²	60.4	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-72.4	-38.5	176.9	-56.2	-31.8	0	0	0	111.2	T298 K301 W306 L333 E334 S335 D336 V340 A341 A342	T298-D338 WeakPolarHBondContact CB-OD1 3.29Å; T298-D338 PolarHBondContact OG1-OD1 2.98Å; K301-D338 HydrophobicContact CD-CB 4.05Å; K301-D338 VanDerWaalsContact CD-OD1 3.24Å; K301-D338 WeakPolarHBondContact CD-OD1 2.87Å; K301-D338 WeakPolarHBondContact CE-OD1 3.31Å; K301-D338 IonicContact NZ-OD1 2.86Å; K301-D338 PolarHBondContact NZ-OD1 3.18Å; K301-D338 IonicContact NZ-OD2 3.87Å; K301-D338 PolarHBondContact NZ-OD2 3.41Å; W306-D338 HydrophobicContact CH2-CB 4.3Å; L333-D338 HydrophobicContact CD2-CB 4.01Å; E334-D338 WeakPolarHBondContact CA-OD2 3.17Å; E334-D338 WeakPolarHBondContact CB-OD2 3.48Å; E334-D338 PolarHBondContact N-OD2 2.9Å; S335-D338 PolarHBondContact N-OD2 3.26Å; S335-D338 WeakPolarHBondContact O-CB 3.43Å; S335-D338 PolarHBondContact O-N 2.82Å; S335-D338 VanDerWaalsContact O-N 3.1Å; S335-D338 PolarHBondContact OG-N 2.94Å; S335-D338 PolarHBondContact OG-OD1 3.1Å; S335-D338 PolarHBondContact OG-OD2 3.24Å; D336-D338 VanDerWaalsContact C-N 3.3Å; D336-D338 PolarHBondContact O-N 2.95Å; D338-V340 VanDerWaalsContact C-N 3.34Å; D338-V340 PolarHBondContact O-N 3.05Å; D338-A341 CarbonylContact O-C 3.57Å; D338-A341 WeakPolarHBondContact O-CB 3.15Å; D338-A341 PolarHBondContact O-N 3.11Å; D338-A341 VanDerWaalsContact O-N 3.14Å; D338-A342 WeakPolarHBondContact O-CB 3.47Å; D338-A342 PolarHBondContact O-N 2.84Å
339	A	49.9	Very low	49.1	Very low	10 Å²	10	63 Å²	63	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-40.2	174.8	0	0	0	0	0	111.6	L333 S335 D336 A341 A342 F343 W362	L333-A339 HydrophobicContact CD2-CB 4.17Å; S335-A339 PolarHBondContact O-N 3.33Å; S335-A339 VanDerWaalsContact O-N 3.1Å; D336-A339 PolarHBondContact O-N 3.21Å; A339-A341 VanDerWaalsContact C-N 3.33Å; A339-A342 PolarHBondContact O-N 2.96Å; A339-F343 HydrophobicContact CB-CD2 4.41Å; A339-F343 WeakPolarHBondContact O-CB 3.44Å; A339-F343 VanDerWaalsContact O-CD2 3.3Å; A339-F343 WeakPolarHBondContact O-CD2 3.47Å; A339-F343 PolarHBondContact O-N 2.88Å; A339-W362 HydrophobicContact CB-CD2 4.12Å; A339-W362 HydrophobicContact CB-CE3 3.56Å; A339-W362 HydrophobicContact CB-CZ3 3.83Å
340	V	48.7	Very low	47.6	Very low	19 Å²	19	67.8 Å²	67.8	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-37.9	172.3	178.9	0	0	0	0	110.8	I290 S293 P297 D336 D338 A342 K344	I290-V340 HydrophobicContact CD1-CG1 3.7Å; S293-V340 WeakPolarHBondContact OG-CG2 3.42Å; P297-V340 HydrophobicContact CB-CB 4.34Å; P297-V340 HydrophobicContact CB-CG1 3.92Å; P297-V340 HydrophobicContact CG-CG1 4.48Å; D336-V340 VanDerWaalsContact O-CG2 3.26Å; D336-V340 WeakPolarHBondContact O-CG2 3.45Å; D336-V340 PolarHBondContact O-N 3.45Å; D338-V340 VanDerWaalsContact C-N 3.34Å; D338-V340 PolarHBondContact O-N 3.05Å; V340-A342 VanDerWaalsContact C-N 3.34Å; V340-K344 HydrophobicContact CG1-CD 4.42Å; V340-K344 WeakPolarHBondContact O-CB 3.39Å; V340-K344 PolarHBondContact O-N 2.87Å
341	A	51.1	Low	45.7	Very low	15 Å²	15	65.5 Å²	65.5	12%	0.124	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-33.6	174.8	0	0	0	0	0	113.1	P297 K301 S337 D338 A339	P297-A341 HydrophobicContact CB-CB 4.17Å; K301-A341 HydrophobicContact CB-CB 4.09Å; S337-A341 WeakPolarHBondContact O-CB 3.37Å; S337-A341 PolarHBondContact O-N 3.42Å; D338-A341 CarbonylContact O-C 3.57Å; D338-A341 WeakPolarHBondContact O-CB 3.15Å; D338-A341 PolarHBondContact O-N 3.11Å; D338-A341 VanDerWaalsContact O-N 3.14Å; A339-A341 VanDerWaalsContact C-N 3.33Å
342	A	45.2	Very low	43.4	Very low	21 Å²	21	64.1 Å²	64.1	17%	0.174	35%	0.346	C	S	.	.	H	α-helix	trans	-80.9	-40.6	-179.3	0	0	0	0	0	114.1	W306 Y329 L333 D338 A339 V340	W306-A342 HydrophobicContact CD2-CB 3.61Å; W306-A342 HydrophobicContact CE3-CB 4.08Å; W306-A342 HydrophobicContact CG-CB 4.07Å; W306-A342 HydrophobicContact CH2-CB 4.03Å; W306-A342 HydrophobicContact CZ2-CB 3.56Å; W306-A342 HydrophobicContact CZ3-CB 4.28Å; Y329-A342 HydrophobicContact CE1-CB 4.32Å; L333-A342 HydrophobicContact CD2-CB 3.92Å; D338-A342 WeakPolarHBondContact O-CB 3.47Å; D338-A342 PolarHBondContact O-N 2.84Å; A339-A342 PolarHBondContact O-N 2.96Å; V340-A342 VanDerWaalsContact C-N 3.34Å
343	F	39.4	Very low	41.3	Very low	73 Å²	73	66.3 Å²	66.3	32%	0.32	36%	0.361	S	S	.	.	H	α-helix	trans	-112.1	-2.3	-165.1	-66.1	-71.3	0	0	0	115	Y329 L333 A339 P345 W362 V369	Y329-F343 HydrophobicContact CD1-CE2 4.45Å; Y329-F343 HydrophobicContact CD1-CZ 4Å; Y329-F343 HydrophobicContact CE1-CE1 4.01Å; Y329-F343 HydrophobicContact CE1-CE2 4.17Å; Y329-F343 AromaticContact CE1-CZ 3.51Å; Y329-F343 HydrophobicContact CE1-CZ 3.51Å; Y329-F343 AromaticContact CZ-CZ 3.99Å; L333-F343 HydrophobicContact CD1-CE2 4Å; L333-F343 HydrophobicContact CD2-CE2 4.45Å; A339-F343 HydrophobicContact CB-CD2 4.41Å; A339-F343 WeakPolarHBondContact O-CB 3.44Å; A339-F343 VanDerWaalsContact O-CD2 3.3Å; A339-F343 WeakPolarHBondContact O-CD2 3.47Å; A339-F343 PolarHBondContact O-N 2.88Å; F343-P345 WeakPolarHBondContact O-CD 3.34Å; F343-W362 HydrophobicContact CE2-CG 4.44Å; F343-V369 HydrophobicContact CD1-CG2 4.41Å; F343-V369 HydrophobicContact CE1-CG2 4.04Å; F343-V369 HydrophobicContact CZ-CG2 4.21Å
344	K	39	Very low	39.5	Very low	88 Å²	88	72.2 Å²	72.2	38%	0.383	39%	0.388	S	S	.	.			trans	-74.3	108.5	177.4	-172	-175.2	164.3	179.9	0	110.4	I290 V340	I290-K344 HydrophobicContact CD1-CD 3.53Å; I290-K344 HydrophobicContact CG1-CD 3.56Å; I290-K344 HydrophobicContact CG2-CD 4.29Å; V340-K344 HydrophobicContact CG1-CD 4.42Å; V340-K344 WeakPolarHBondContact O-CB 3.39Å; V340-K344 PolarHBondContact O-N 2.87Å
345	P	28.9	Very low	37.7	Very low	87 Å²	87	70 Å²	70	57%	0.565	38%	0.379	S	S	*	.			trans	-76.4	142.6	-176.4	-9.3	28.4	0	0	0	110.7	F343 C349	F343-P345 WeakPolarHBondContact O-CD 3.34Å; P345-C349 HydrophobicContact CB-CB 4.2Å
346	L	27.5	Very low	36.2	Very low	105 Å²	105	74.6 Å²	74.6	55%	0.55	39%	0.391	S	S	.	.			trans	-46.3	143.9	161.4	-90.9	141.5	0	0	0	110.3	T101 L348 C349	T101-L346 HydrophobicContact CG2-CB 4.38Å; T101-L346 HydrophobicContact CG2-CD1 4.16Å; L346-L348 PolarHBondContact O-N 2.98Å; L346-C349 PolarHBondContact O-N 2.97Å
347	L	25.5	Very low	35.3	Very low	151 Å²	151	73.1 Å²	73.1	79%	0.791	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.7	-16.3	179	-139.5	89	0	0	0	116.5
348	L	24.3	Very low	34.3	Very low	103 Å²	103	76.9 Å²	76.9	54%	0.539	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-26.2	-173.9	-79.5	147.5	0	0	0	114.4	T101 L346 R350 S351	T101-L348 HydrophobicContact CG2-CB 4.36Å; T101-L348 HydrophobicContact CG2-CD1 3.5Å; T101-L348 VanDerWaalsContact CG2-CD1 3.5Å; L346-L348 PolarHBondContact O-N 2.98Å; L348-R350 PolarHBondContact O-N 3.04Å; L348-S351 PolarHBondContact O-N 3.38Å; L348-S351 PolarHBondContact O-OG 3.38Å
349	C	25.4	Very low	33.1	Very low	55 Å²	55	78.7 Å²	78.7	37%	0.372	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-79	-18.7	-175.6	-64.4	0	0	0	0	114.9	P345 L346	P345-C349 HydrophobicContact CB-CB 4.2Å; L346-C349 PolarHBondContact O-N 2.97Å
350	R	25.7	Very low	32.4	Very low	180 Å²	180	81.5 Å²	81.5	68%	0.679	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-85.4	-7.5	175.4	-77	-171.7	168	179.3	-2.8	114.1	L348 S352	L348-R350 PolarHBondContact O-N 3.04Å; R350-S352 VanDerWaalsContact C-N 3.25Å; R350-S352 PolarHBondContact O-N 2.9Å
351	S	25.2	Very low	31.7	Very low	82 Å²	82	85.9 Å²	85.9	57%	0.573	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-70.9	-23.8	173.2	68	0	0	0	0	112.1	L348 R356	L348-S351 PolarHBondContact O-N 3.38Å; L348-S351 PolarHBondContact O-OG 3.38Å; S351-R356 PolarHBondContact O-NH2 3.45Å
352	S	26.2	Very low	31	Very low	32 Å²	32	88.2 Å²	88.2	22%	0.224	45%	0.454	C	S	.	.	S	Bend	trans	-68.9	121.8	178.8	-179.7	0	0	0	0	112.4	R350 H354 M355 R356	R350-S352 VanDerWaalsContact C-N 3.25Å; R350-S352 PolarHBondContact O-N 2.9Å; S352-H354 PolarHBondContact O-N 3.19Å; S352-H354 VanDerWaalsContact O-N 3.07Å; S352-H354 PolarHBondContact OG-N 3.44Å; S352-M355 PolarHBondContact O-N 3.47Å; S352-R356 WeakPolarHBondContact O-CG 3.41Å
353	P	25.6	Very low	30.6	Very low	75 Å²	75	88.8 Å²	88.8	49%	0.487	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.2	176.7	-3.3	6.2	0	0	0	114.3
354	H	27.5	Very low	30.3	Very low	141 Å²	141	91.8 Å²	91.8	65%	0.653	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-15.6	-174.1	-57.5	-71.9	0	0	0	114.2	S352 W358	S352-H354 PolarHBondContact O-N 3.19Å; S352-H354 VanDerWaalsContact O-N 3.07Å; S352-H354 PolarHBondContact OG-N 3.44Å; H354-W358 PolarHBondContact O-NE1 2.97Å
355	M	29.3	Very low	30.2	Very low	73 Å²	73	92.8 Å²	92.8	36%	0.36	48%	0.484	S	S	.	.	S	Bend	trans	-108.1	5.6	-178.9	-55.3	-146.2	94	0	0	113.1	S352 T357 W358 M371	S352-M355 PolarHBondContact O-N 3.47Å; M355-T357 VanDerWaalsContact C-N 3.31Å; M355-T357 PolarHBondContact O-N 3.43Å; M355-W358 PolarHBondContact O-N 2.89Å; M355-W358 VanDerWaalsContact O-N 3.12Å; M355-M371 HydrophobicContact CE-CE 3.61Å; M355-M371 HydrophobicContact CE-SD 4.2Å
356	R	30	Very low	30.5	Very low	131 Å²	131	95 Å²	95	49%	0.494	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-23	-174	-68.4	-175.4	-175.4	173.4	5.7	114.9	S351 S352	S351-R356 PolarHBondContact O-NH2 3.45Å; S352-R356 WeakPolarHBondContact O-CG 3.41Å
357	T	31.5	Very low	30.8	Very low	61 Å²	61	95.1 Å²	95.1	37%	0.374	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.6	175	54.4	0	0	0	0	111.3	M355 K373 D374	M355-T357 VanDerWaalsContact C-N 3.31Å; M355-T357 PolarHBondContact O-N 3.43Å; T357-K373 CarbonylContact O-C 3.5Å; T357-K373 WeakPolarHBondContact O-CA 3.49Å; T357-D374 PolarHBondContact O-N 2.6Å
358	W	34.1	Very low	30.9	Very low	109 Å²	109	91 Å²	91	41%	0.413	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.5	-172.3	-64.8	74.4	0	0	0	111.2	H354 M355 M371 T372	H354-W358 PolarHBondContact O-NE1 2.97Å; M355-W358 PolarHBondContact O-N 2.89Å; M355-W358 VanDerWaalsContact O-N 3.12Å; W358-M371 HydrophobicContact CB-CE 4.17Å; W358-M371 HydrophobicContact CE3-CB 3.67Å; W358-M371 HydrophobicContact CE3-CE 4.44Å; W358-M371 HydrophobicContact CZ3-CB 3.92Å; W358-T372 CarbonylContact C-O 3.59Å; W358-T372 VanDerWaalsContact CA-O 3.31Å; W358-T372 WeakPolarHBondContact CA-O 3.26Å
359	T	34.6	Very low	31.3	Very low	41 Å²	41	89.1 Å²	89.1	25%	0.252	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.8	167.1	39	0	0	0	0	109.1	M371 T372	T359-M371 CarbonylContact O-C 3.57Å; T359-M371 WeakPolarHBondContact O-CA 3.19Å; T359-T372 PolarHBondContact N-O 3.14Å; T359-T372 PolarHBondContact O-N 2.77Å; T359-T372 PolarHBondContact OG1-O 3.48Å; T359-T372 VanDerWaalsContact OG1-O 3.08Å
360	A	36	Very low	31.7	Very low	69 Å²	69	93.6 Å²	93.6	57%	0.57	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.3	173.9	0	0	0	0	0	108.7	V369 R370	A360-V369 HydrophobicContact CB-CG1 4.31Å; A360-R370 CarbonylContact C-O 3.51Å; A360-R370 WeakPolarHBondContact CA-O 3.4Å
361	E	33.7	Very low	32.2	Very low	111 Å²	111	88.7 Å²	88.7	52%	0.519	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.1	174.7	-68.4	177.6	174.4	0	0	108.2	R370	E361-R370 HydrophobicContact CB-CB 4.41Å; E361-R370 PolarHBondContact N-O 2.87Å; E361-R370 PolarHBondContact O-N 2.88Å
362	W	36.8	Very low	32.7	Very low	64 Å²	64	86.5 Å²	86.5	24%	0.242	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.1	168.7	-177.7	78.8	0	0	0	109.5	L333 A339 F343 R364	L333-W362 HydrophobicContact CB-CH2 4.34Å; L333-W362 HydrophobicContact CB-CZ2 4.43Å; L333-W362 HydrophobicContact CD1-CH2 4.43Å; L333-W362 HydrophobicContact CD1-CZ2 3.85Å; A339-W362 HydrophobicContact CB-CD2 4.12Å; A339-W362 HydrophobicContact CB-CE3 3.56Å; A339-W362 HydrophobicContact CB-CZ3 3.83Å; F343-W362 HydrophobicContact CE2-CG 4.44Å; W362-R364 HydrophobicContact CE3-CB 4.25Å; W362-R364 HydrophobicContact CH2-CB 3.52Å; W362-R364 HydrophobicContact CH2-CG 3.55Å; W362-R364 HydrophobicContact CZ2-CB 4.3Å; W362-R364 HydrophobicContact CZ2-CG 4.39Å; W362-R364 HydrophobicContact CZ3-CB 3.47Å; W362-R364 VanDerWaalsContact CZ3-CB 3.47Å; W362-R364 HydrophobicContact CZ3-CG 3.94Å
363	S	37.4	Very low	33.1	Very low	34 Å²	34	89.9 Å²	89.9	24%	0.238	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	110.1	177	177.7	0	0	0	0	109.5	S365 K366 S367 T368	S363-S365 PolarHBondContact O-N 3.07Å; S363-S365 PolarHBondContact OG-OG 3.04Å; S363-S365 VanDerWaalsContact OG-OG 3.13Å; S363-K366 CarbonylContact O-C 3.59Å; S363-K366 PolarHBondContact O-N 3.39Å; S363-K366 WeakPolarHBondContact OG-CG 3.42Å; S363-S367 PolarHBondContact O-N 2.91Å; S363-T368 PolarHBondContact N-O 3.48Å; S363-T368 VanDerWaalsContact N-O 3.12Å
364	R	32.6	Very low	33.8	Very low	136 Å²	136	90 Å²	90	51%	0.513	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-55.5	-37.6	177.4	-168.4	168.9	-178	-177.8	5.3	113	E334 W362 K366	E334-R364 VanDerWaalsContact C-CZ 3.49Å; E334-R364 VanDerWaalsContact C-NH2 3.29Å; E334-R364 PolarHBondContact O-NH1 2.75Å; E334-R364 PolarHBondContact O-NH2 2.97Å; W362-R364 HydrophobicContact CE3-CB 4.25Å; W362-R364 HydrophobicContact CH2-CB 3.52Å; W362-R364 HydrophobicContact CH2-CG 3.55Å; W362-R364 HydrophobicContact CZ2-CB 4.3Å; W362-R364 HydrophobicContact CZ2-CG 4.39Å; W362-R364 HydrophobicContact CZ3-CB 3.47Å; W362-R364 VanDerWaalsContact CZ3-CB 3.47Å; W362-R364 HydrophobicContact CZ3-CG 3.94Å; R364-K366 PolarHBondContact O-N 3.48Å
365	S	35.7	Very low	34.1	Very low	109 Å²	109	89.3 Å²	89.3	76%	0.762	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-72.1	-14.8	177.9	56	0	0	0	0	113.9	S363	S363-S365 PolarHBondContact O-N 3.07Å; S363-S365 PolarHBondContact OG-OG 3.04Å; S363-S365 VanDerWaalsContact OG-OG 3.13Å
366	K	36.7	Very low	34	Very low	134 Å²	134	93 Å²	93	58%	0.583	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-115.9	-1.4	-177.1	-59	179.3	-179.9	177.4	0	113.4	S363 R364 T368	S363-K366 CarbonylContact O-C 3.59Å; S363-K366 PolarHBondContact O-N 3.39Å; S363-K366 WeakPolarHBondContact OG-CG 3.42Å; R364-K366 PolarHBondContact O-N 3.48Å; K366-T368 WeakPolarHBondContact CB-OG1 3.18Å; K366-T368 WeakPolarHBondContact O-CB 3.46Å; K366-T368 VanDerWaalsContact O-CG2 3.29Å; K366-T368 WeakPolarHBondContact O-CG2 3.32Å; K366-T368 PolarHBondContact O-N 3.22Å; K366-T368 PolarHBondContact O-OG1 2.82Å
367	S	32.1	Very low	33.9	Very low	106 Å²	106	91.9 Å²	91.9	74%	0.741	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	34.8	-174.6	-55.7	0	0	0	0	113.4	S363	S363-S367 PolarHBondContact O-N 2.91Å
368	T	29.5	Very low	33.6	Very low	66 Å²	66	92.7 Å²	92.7	41%	0.405	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.4	-170.7	40.3	0	0	0	0	111.7	S363 K366	S363-T368 PolarHBondContact N-O 3.48Å; S363-T368 VanDerWaalsContact N-O 3.12Å; K366-T368 WeakPolarHBondContact CB-OG1 3.18Å; K366-T368 WeakPolarHBondContact O-CB 3.46Å; K366-T368 VanDerWaalsContact O-CG2 3.29Å; K366-T368 WeakPolarHBondContact O-CG2 3.32Å; K366-T368 PolarHBondContact O-N 3.22Å; K366-T368 PolarHBondContact O-OG1 2.82Å
369	V	32.7	Very low	33.2	Very low	62 Å²	62	97.9 Å²	97.9	38%	0.376	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.7	165.5	177	0	0	0	0	107.7	F343 A360 M371	F343-V369 HydrophobicContact CD1-CG2 4.41Å; F343-V369 HydrophobicContact CE1-CG2 4.04Å; F343-V369 HydrophobicContact CZ-CG2 4.21Å; A360-V369 HydrophobicContact CB-CG1 4.31Å; V369-M371 HydrophobicContact CG1-CG 4.35Å
370	R	33.3	Very low	32.7	Very low	150 Å²	150	101.9 Å²	101.9	57%	0.566	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.1	170.3	-176.9	-179.3	-180	164.6	2.1	108.3	A360 E361	A360-R370 CarbonylContact C-O 3.51Å; A360-R370 WeakPolarHBondContact CA-O 3.4Å; E361-R370 HydrophobicContact CB-CB 4.41Å; E361-R370 PolarHBondContact N-O 2.87Å; E361-R370 PolarHBondContact O-N 2.88Å
371	M	36.2	Very low	32.1	Very low	77 Å²	77	107.8 Å²	107.8	38%	0.379	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	114.3	165.7	-59.9	-156.6	75.2	0	0	109.1	M355 W358 T359 V369	M355-M371 HydrophobicContact CE-CE 3.61Å; M355-M371 HydrophobicContact CE-SD 4.2Å; W358-M371 HydrophobicContact CB-CE 4.17Å; W358-M371 HydrophobicContact CE3-CB 3.67Å; W358-M371 HydrophobicContact CE3-CE 4.44Å; W358-M371 HydrophobicContact CZ3-CB 3.92Å; T359-M371 CarbonylContact O-C 3.57Å; T359-M371 WeakPolarHBondContact O-CA 3.19Å; V369-M371 HydrophobicContact CG1-CG 4.35Å
372	T	35.1	Very low	31.7	Very low	35 Å²	35	108.9 Å²	108.9	22%	0.215	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.6	126.3	-178.4	-29	0	0	0	0	108.7	W358 T359	W358-T372 CarbonylContact C-O 3.59Å; W358-T372 VanDerWaalsContact CA-O 3.31Å; W358-T372 WeakPolarHBondContact CA-O 3.26Å; T359-T372 PolarHBondContact N-O 3.14Å; T359-T372 PolarHBondContact O-N 2.77Å; T359-T372 PolarHBondContact OG1-O 3.48Å; T359-T372 VanDerWaalsContact OG1-O 3.08Å
373	K	35.6	Very low	31	Very low	104 Å²	104	110.6 Å²	110.6	45%	0.452	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	120.4	168.2	-172.9	-176.1	164.3	-124.5	0	107.7	T357 D375	T357-K373 CarbonylContact O-C 3.5Å; T357-K373 WeakPolarHBondContact O-CA 3.49Å; K373-D375 IonicContact NZ-OD1 3.43Å; K373-D375 PolarHBondContact NZ-OD1 2.95Å; K373-D375 PolarHBondContact O-N 2.76Å
374	D	39	Very low	30.4	Very low	77 Å²	77	119.2 Å²	119.2	41%	0.412	62%	0.622	S	S	.	*			trans	-65	102.2	165.5	-92.8	-24.2	0	0	0	107.8	T357 D376	T357-D374 PolarHBondContact O-N 2.6Å; D374-D376 PolarHBondContact O-N 3.11Å
375	D	33.6	Very low	29.9	Very low	126 Å²	126	118.9 Å²	118.9	67%	0.674	63%	0.63	S	S	*	*			trans	-79.1	0.3	174.8	-78.1	-34.5	0	0	0	112.5	K373	K373-D375 IonicContact NZ-OD1 3.43Å; K373-D375 PolarHBondContact NZ-OD1 2.95Å; K373-D375 PolarHBondContact O-N 2.76Å
376	D	27.6	Very low	29.3	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	63%	0.631	S	S	*	*			trans	-124.4	30.2	-155.9	-122	-5.1	0	0	0	116.4	D374 G378	D374-D376 PolarHBondContact O-N 3.11Å; D376-G378 PolarHBondContact O-N 3.16Å
377	V	28.2	Very low	28.6	Very low	106 Å²	106	124.4 Å²	124.4	64%	0.642	64%	0.642	S	S	*	*			trans	-96.2	83.7	163.1	-165.2	0	0	0	0	108.4	R379	V377-R379 PolarHBondContact O-N 3.31Å
378	G	24.9	Very low	28.3	Very low	79 Å²	79	124 Å²	124	81%	0.814	64%	0.635	S	S	*	*			trans	-51	102.8	174.2	0	0	0	0	0	111.2	D376	D376-G378 PolarHBondContact O-N 3.16Å
379	R	26.1	Very low	28.1	Very low	217 Å²	217	129.4 Å²	129.4	82%	0.819	66%	0.656	S	S	*	*			trans	-96.3	136.4	170.2	-73.1	-176.1	-179.3	-170.4	-1	108.5	V377 Q381	V377-R379 PolarHBondContact O-N 3.31Å; R379-Q381 PolarHBondContact O-N 2.94Å
380	P	23.7	Very low	27.8	Very low	125 Å²	125	133.7 Å²	133.7	81%	0.812	68%	0.677	S	S	*	*			trans	-56.7	135.2	175	-11.2	21.4	0	0	0	109.8	M382	P380-M382 PolarHBondContact O-N 3.06Å
381	Q	24.4	Very low	27.4	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	69%	0.688	S	S	*	*			trans	-55.9	113.1	168.5	-113.7	179.7	-10.8	0	0	108.1	R379 S383	R379-Q381 PolarHBondContact O-N 2.94Å; Q381-S383 PolarHBondContact O-N 2.89Å
382	M	23.4	Very low	26.9	Very low	135 Å²	135	134.8 Å²	134.8	67%	0.665	69%	0.694	S	S	*	*			trans	-66.4	107.9	169.8	-153.1	176.1	-178.3	0	0	106.2	P380 W384	P380-M382 PolarHBondContact O-N 3.06Å; M382-W384 VanDerWaalsContact C-N 3.33Å; M382-W384 PolarHBondContact O-N 3.1Å
383	S	23.9	Very low	26.3	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	72%	0.72	S	S	*	*			trans	-69.6	90.4	177.8	53.6	0	0	0	0	109.2	Q381 N385	Q381-S383 PolarHBondContact O-N 2.89Å; S383-N385 VanDerWaalsContact C-N 3.26Å; S383-N385 PolarHBondContact O-N 3.41Å
384	W	24.3	Very low	25.7	Very low	215 Å²	215	141.1 Å²	141.1	81%	0.814	74%	0.739	S	S	*	*			trans	-72.2	85	171.1	-80.5	45.1	0	0	0	108.5	M382 W386	M382-W384 VanDerWaalsContact C-N 3.33Å; M382-W384 PolarHBondContact O-N 3.1Å; W384-W386 PolarHBondContact O-N 3.42Å
385	N	22.5	Very low	24.9	Very low	130 Å²	130	143 Å²	143	70%	0.695	74%	0.742	S	S	*	*			trans	-82.5	112.6	168	-95.8	-12.9	0	0	0	110.2	S383	S383-N385 VanDerWaalsContact C-N 3.26Å; S383-N385 PolarHBondContact O-N 3.41Å
386	W	21.6	Very low	24.4	Very low	205 Å²	205	139.7 Å²	139.7	78%	0.777	73%	0.728	S	S	*	*			trans	88.7	106.9	138.2	-63.4	37.2	0	0	0	119.4	W384 T388	W384-W386 PolarHBondContact O-N 3.42Å; W386-T388 PolarHBondContact O-N 3.19Å
387	D	23.5	Very low	24.2	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	73%	0.728	S	S	*	*				64.4	21.7	120.7	-74.2	-7.4	0	0	0	123
388	T	26	Very low	24.1	Very low	98 Å²	98	140.7 Å²	140.7	60%	0.601	72%	0.723	S	S	*	*			trans	-116.4	79.6	164.9	53	0	0	0	0	112.9	W386 N390	W386-T388 PolarHBondContact O-N 3.19Å; T388-N390 PolarHBondContact O-N 3.36Å
389	Q	25.2	Very low	24.1	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-4.8	-179.9	-100.3	176.5	-8	0	0	116.1
390	N	25.5	Very low	24.1	Very low	151 Å²	151	130.2 Å²	130.2	81%	0.807	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	5.1	-165.1	-75.3	-23.3	0	0	0	117	T388	T388-N390 PolarHBondContact O-N 3.36Å
391	L	25.2	Very low	24.3	Very low	154 Å²	154	126 Å²	126	81%	0.806	65%	0.652	S	S	*	*	S	Bend	trans	-121.8	-2.5	-176.4	-91.5	144	0	0	0	115.2
392	L	24.4	Very low	24.7	Very low	97 Å²	97	120.2 Å²	120.2	51%	0.508	63%	0.625	S	S	.	*			trans	-115.1	6	-172	-75	163.1	0	0	0	114.4	D394 Y395	L392-D394 PolarHBondContact O-N 3.15Å; L392-D394 VanDerWaalsContact O-N 3.13Å; L392-Y395 HydrophobicContact CD2-CD2 4.05Å; L392-Y395 HydrophobicContact CD2-CG 3.91Å; L392-Y395 PolarHBondContact O-N 3.03Å
393	C	22.8	Very low	25.2	Very low	113 Å²	113	114.9 Å²	114.9	76%	0.764	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-15.7	-177.7	-62.1	0	0	0	0	114.5
394	D	23.3	Very low	25.8	Very low	158 Å²	158	113.6 Å²	113.6	85%	0.845	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-7.5	172	-73	-29.3	0	0	0	113.8	L392 S396	L392-D394 PolarHBondContact O-N 3.15Å; L392-D394 VanDerWaalsContact O-N 3.13Å; D394-S396 PolarHBondContact O-N 3.02Å
395	Y	23	Very low	26.3	Very low	118 Å²	118	107.9 Å²	107.9	46%	0.463	56%	0.56	S	S	.	*	S	Bend	trans	-79.7	70.7	167.9	-102	-91.4	0	0	0	108.7	L392 V397 N493	L392-Y395 HydrophobicContact CD2-CD2 4.05Å; L392-Y395 HydrophobicContact CD2-CG 3.91Å; L392-Y395 PolarHBondContact O-N 3.03Å; Y395-V397 PolarHBondContact O-N 3.45Å; Y395-N493 PolarHBondContact OH-ND2 3.41Å
396	S	23.1	Very low	26.9	Very low	56 Å²	56	104.5 Å²	104.5	39%	0.392	54%	0.544	S	S	.	.			trans	-55.2	141.4	173.1	71.4	0	0	0	0	108.4	D394 R398 A399	D394-S396 PolarHBondContact O-N 3.02Å; S396-R398 PolarHBondContact O-N 3.17Å; S396-R398 VanDerWaalsContact OG-CB 3.23Å; S396-R398 WeakPolarHBondContact OG-CB 3.37Å; S396-R398 WeakPolarHBondContact OG-CG 3.48Å; S396-A399 PolarHBondContact O-N 3.17Å
397	V	22.4	Very low	27.6	Very low	135 Å²	135	94.7 Å²	94.7	82%	0.818	51%	0.507	S	S	*	.	H	α-helix	trans	-42.8	-10.3	168.3	177.2	0	0	0	0	113.3	Y395 S401	Y395-V397 PolarHBondContact O-N 3.45Å; V397-S401 WeakPolarHBondContact O-CB 3.24Å; V397-S401 PolarHBondContact O-OG 3.2Å
398	R	25.9	Very low	28.2	Very low	143 Å²	143	90 Å²	90	54%	0.54	49%	0.486	S	S	.	.	H	α-helix	trans	-79.4	-25.8	177.2	-44.9	176.7	179.1	-170	-2	114.6	S396 H402	S396-R398 PolarHBondContact O-N 3.17Å; S396-R398 VanDerWaalsContact OG-CB 3.23Å; S396-R398 WeakPolarHBondContact OG-CB 3.37Å; S396-R398 WeakPolarHBondContact OG-CG 3.48Å; R398-H402 PolarHBondContact O-CD2 2.76Å
399	A	26.6	Very low	28.6	Very low	47 Å²	47	89.3 Å²	89.3	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-90	-49.6	-177.9	0	0	0	0	0	113.9	S396 S401 H402 L403	S396-A399 PolarHBondContact O-N 3.17Å; A399-S401 PolarHBondContact O-N 3.5Å; A399-H402 PolarHBondContact O-N 2.73Å; A399-L403 PolarHBondContact O-N 3.44Å
400	G	25.4	Very low	29	Very low	29 Å²	29	82.2 Å²	82.2	30%	0.299	46%	0.458	S	S	.	.	H	α-helix	trans	-67.5	-34.4	180	0	0	0	0	0	113.6	H402 L403 H404	G400-H402 VanDerWaalsContact C-N 3.28Å; G400-H402 PolarHBondContact O-N 2.83Å; G400-L403 PolarHBondContact O-N 2.58Å; G400-H404 PolarHBondContact O-N 3.19Å
401	S	27.6	Very low	29.3	Very low	36 Å²	36	76.9 Å²	76.9	25%	0.252	44%	0.439	S	S	.	.	H	α-helix	trans	-71	-24.8	174.7	67.1	0	0	0	0	112.6	V397 A399 R405	V397-S401 WeakPolarHBondContact O-CB 3.24Å; V397-S401 PolarHBondContact O-OG 3.2Å; A399-S401 PolarHBondContact O-N 3.5Å; S401-R405 WeakPolarHBondContact O-CB 3.46Å; S401-R405 WeakPolarHBondContact O-CD 3.37Å; S401-R405 WeakPolarHBondContact O-CG 3.32Å; S401-R405 PolarHBondContact O-N 2.69Å; S401-R405 VanDerWaalsContact O-N 3.09Å; S401-R405 PolarHBondContact O-NE 3.38Å; S401-R405 PolarHBondContact OG-NH2 2.79Å
402	H	32.4	Very low	29.9	Very low	73 Å²	73	70.6 Å²	70.6	34%	0.338	41%	0.405	S	S	.	.	H	α-helix	trans	-76.6	-38.3	173.9	-98.6	-92.4	0	0	0	112.5	R398 A399 G400 H404 R405 V406	R398-H402 PolarHBondContact O-CD2 2.76Å; A399-H402 PolarHBondContact O-N 2.73Å; G400-H402 VanDerWaalsContact C-N 3.28Å; G400-H402 PolarHBondContact O-N 2.83Å; H402-H404 VanDerWaalsContact C-N 3.34Å; H402-H404 PolarHBondContact O-N 3.15Å; H402-R405 PolarHBondContact CD2-NH1 3.26Å; H402-R405 PolarHBondContact NE2-NH1 2.9Å; H402-R405 PolarHBondContact O-N 3.27Å; H402-V406 WeakPolarHBondContact O-CB 3.37Å; H402-V406 VanDerWaalsContact O-CG2 3.31Å; H402-V406 WeakPolarHBondContact O-CG2 3.14Å; H402-V406 PolarHBondContact O-N 3.06Å
403	L	34.4	Very low	30.5	Very low	22 Å²	22	69.8 Å²	69.8	12%	0.115	40%	0.401	C	S	.	.	H	α-helix	trans	-64.6	-39.7	173.4	-115.8	95	0	0	0	112.8	A399 G400 R405 G407 V489 W494 L497	A399-L403 PolarHBondContact O-N 3.44Å; G400-L403 PolarHBondContact O-N 2.58Å; L403-R405 VanDerWaalsContact C-N 3.33Å; L403-G407 WeakPolarHBondContact O-CA 3.31Å; L403-G407 PolarHBondContact O-N 2.71Å; L403-V489 HydrophobicContact CD1-CB 4.11Å; L403-V489 HydrophobicContact CD1-CG1 4.15Å; L403-V489 HydrophobicContact CD1-CG2 3.31Å; L403-V489 HydrophobicContact CD2-CB 4.33Å; L403-V489 HydrophobicContact CD2-CG1 3.71Å; L403-V489 HydrophobicContact CD2-CG2 4.4Å; L403-V489 HydrophobicContact CG-CG2 4.43Å; L403-W494 HydrophobicContact CD2-CD2 3.85Å; L403-W494 VanDerWaalsContact CD2-CE2 3.47Å; L403-W494 HydrophobicContact CD2-CE3 4.25Å; L403-W494 HydrophobicContact CD2-CG 4.43Å; L403-W494 HydrophobicContact CD2-CH2 3.98Å; L403-W494 HydrophobicContact CD2-CZ2 3.54Å; L403-W494 HydrophobicContact CD2-CZ3 4.32Å; L403-W494 HydrophobicContact CG-CZ2 4.37Å; L403-L497 HydrophobicContact CB-CD1 4Å; L403-L497 HydrophobicContact CD2-CD1 3.99Å
404	H	36.8	Very low	31.3	Very low	72 Å²	72	69.7 Å²	69.7	33%	0.333	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-36.9	174.4	-139.6	-63.5	0	0	0	111.3	G400 H402 S408	G400-H404 PolarHBondContact O-N 3.19Å; H402-H404 VanDerWaalsContact C-N 3.34Å; H402-H404 PolarHBondContact O-N 3.15Å; H404-S408 WeakPolarHBondContact O-CB 3.4Å; H404-S408 PolarHBondContact O-N 2.78Å; H404-S408 PolarHBondContact O-OG 2.65Å
405	R	34.7	Very low	31.8	Very low	95 Å²	95	65.7 Å²	65.7	36%	0.358	38%	0.377	S	S	.	.	H	α-helix	trans	-67.8	-44.2	175.4	-74.6	163.3	-154.7	178.5	5.3	112.7	S401 H402 L403 A409	S401-R405 WeakPolarHBondContact O-CB 3.46Å; S401-R405 WeakPolarHBondContact O-CD 3.37Å; S401-R405 WeakPolarHBondContact O-CG 3.32Å; S401-R405 PolarHBondContact O-N 2.69Å; S401-R405 VanDerWaalsContact O-N 3.09Å; S401-R405 PolarHBondContact O-NE 3.38Å; S401-R405 PolarHBondContact OG-NH2 2.79Å; H402-R405 PolarHBondContact CD2-NH1 3.26Å; H402-R405 PolarHBondContact NE2-NH1 2.9Å; H402-R405 PolarHBondContact O-N 3.27Å; L403-R405 VanDerWaalsContact C-N 3.33Å; R405-A409 WeakPolarHBondContact O-CB 3.16Å; R405-A409 PolarHBondContact O-N 2.88Å
406	V	35.7	Very low	32.1	Very low	59 Å²	59	68.5 Å²	68.5	36%	0.358	39%	0.394	S	S	.	.	H	α-helix	trans	-72.2	-43.5	178.6	170.9	0	0	0	0	109.7	H402 A409 L410	H402-V406 WeakPolarHBondContact O-CB 3.37Å; H402-V406 VanDerWaalsContact O-CG2 3.31Å; H402-V406 WeakPolarHBondContact O-CG2 3.14Å; H402-V406 PolarHBondContact O-N 3.06Å; V406-A409 CarbonylContact O-C 3.44Å; V406-A409 PolarHBondContact O-N 3.19Å; V406-L410 HydrophobicContact CG1-CD1 3.42Å; V406-L410 VanDerWaalsContact CG1-CD1 3.42Å; V406-L410 HydrophobicContact CG1-CG 4.09Å; V406-L410 WeakPolarHBondContact O-CB 2.87Å; V406-L410 WeakPolarHBondContact O-CG 3.25Å; V406-L410 PolarHBondContact O-N 2.83Å
407	G	35.3	Very low	32.1	Very low	0 Å²	0	69.2 Å²	69.2	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-62.7	-42.8	174.2	0	0	0	0	0	113	L403 L410 G411 F412	L403-G407 WeakPolarHBondContact O-CA 3.31Å; L403-G407 PolarHBondContact O-N 2.71Å; G407-L410 CarbonylContact O-C 3.59Å; G407-L410 PolarHBondContact O-N 3.25Å; G407-G411 PolarHBondContact O-N 3.47Å; G407-F412 WeakPolarHBondContact O-CB 2.9Å; G407-F412 PolarHBondContact O-N 2.92Å
408	S	36.9	Very low	32.3	Very low	54 Å²	54	71 Å²	71	38%	0.378	41%	0.409	S	S	.	.	H	α-helix	trans	-67.7	-37.4	172.6	-64.8	0	0	0	0	112.7	H404 L410 G411	H404-S408 WeakPolarHBondContact O-CB 3.4Å; H404-S408 PolarHBondContact O-N 2.78Å; H404-S408 PolarHBondContact O-OG 2.65Å; S408-L410 VanDerWaalsContact C-N 3.33Å; S408-G411 PolarHBondContact O-N 3.42Å
409	A	33.9	Very low	32.2	Very low	84 Å²	84	69 Å²	69	69%	0.694	41%	0.413	S	S	*	.	H	α-helix	trans	-71.8	-25.6	175.2	0	0	0	0	0	113.4	R405 V406	R405-A409 WeakPolarHBondContact O-CB 3.16Å; R405-A409 PolarHBondContact O-N 2.88Å; V406-A409 CarbonylContact O-C 3.44Å; V406-A409 PolarHBondContact O-N 3.19Å
410	L	33.6	Very low	32.2	Very low	30 Å²	30	68.8 Å²	68.8	16%	0.157	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.2	176	-67	174.8	0	0	0	113	V406 G407 S408 F412 F423 M428	V406-L410 HydrophobicContact CG1-CD1 3.42Å; V406-L410 VanDerWaalsContact CG1-CD1 3.42Å; V406-L410 HydrophobicContact CG1-CG 4.09Å; V406-L410 WeakPolarHBondContact O-CB 2.87Å; V406-L410 WeakPolarHBondContact O-CG 3.25Å; V406-L410 PolarHBondContact O-N 2.83Å; G407-L410 CarbonylContact O-C 3.59Å; G407-L410 PolarHBondContact O-N 3.25Å; S408-L410 VanDerWaalsContact C-N 3.33Å; L410-F412 VanDerWaalsContact C-N 3.31Å; L410-F412 HydrophobicContact CB-CD2 3.79Å; L410-F412 HydrophobicContact CB-CE1 4.33Å; L410-F412 HydrophobicContact CB-CE2 3.54Å; L410-F412 HydrophobicContact CB-CG 4.28Å; L410-F412 HydrophobicContact CB-CZ 3.83Å; L410-F412 HydrophobicContact CD1-CD2 4.21Å; L410-F412 HydrophobicContact CD1-CE2 3.41Å; L410-F412 VanDerWaalsContact CD1-CE2 3.41Å; L410-F412 HydrophobicContact CD1-CZ 3.98Å; L410-F412 HydrophobicContact CG-CE2 4.13Å; L410-F412 PolarHBondContact O-N 2.78Å; L410-F423 WeakPolarHBondContact O-CE2 2.93Å; L410-M428 HydrophobicContact CD1-CE 4.15Å
411	G	32.1	Very low	32.3	Very low	40 Å²	40	75.2 Å²	75.2	41%	0.412	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	14.8	178	0	0	0	0	0	115.3	G407 S408 N413	G407-G411 PolarHBondContact O-N 3.47Å; S408-G411 PolarHBondContact O-N 3.42Å; G411-N413 PolarHBondContact O-N 3.28Å
412	F	37.8	Very low	32.2	Very low	22 Å²	22	78.7 Å²	78.7	10%	0.096	45%	0.446	C	S	.	.			trans	-74.7	16.2	178.2	-57.7	-36.2	0	0	0	114.2	G407 L410 P420 W494 L500 E501	G407-F412 WeakPolarHBondContact O-CB 2.9Å; G407-F412 PolarHBondContact O-N 2.92Å; L410-F412 VanDerWaalsContact C-N 3.31Å; L410-F412 HydrophobicContact CB-CD2 3.79Å; L410-F412 HydrophobicContact CB-CE1 4.33Å; L410-F412 HydrophobicContact CB-CE2 3.54Å; L410-F412 HydrophobicContact CB-CG 4.28Å; L410-F412 HydrophobicContact CB-CZ 3.83Å; L410-F412 HydrophobicContact CD1-CD2 4.21Å; L410-F412 HydrophobicContact CD1-CE2 3.41Å; L410-F412 VanDerWaalsContact CD1-CE2 3.41Å; L410-F412 HydrophobicContact CD1-CZ 3.98Å; L410-F412 HydrophobicContact CG-CE2 4.13Å; L410-F412 PolarHBondContact O-N 2.78Å; F412-P420 HydrophobicContact CD1-CG 4.5Å; F412-W494 AromaticContact CD2-CH2 3.91Å; F412-W494 HydrophobicContact CD2-CH2 3.91Å; F412-W494 HydrophobicContact CD2-CZ3 4.32Å; F412-W494 HydrophobicContact CE2-CH2 4.39Å; F412-L500 HydrophobicContact CB-CD2 4.11Å; F412-L500 VanDerWaalsContact O-CA 3.32Å; F412-L500 WeakPolarHBondContact O-CA 3.37Å; F412-E501 PolarHBondContact O-N 2.98Å
413	N	37.5	Very low	32.1	Very low	80 Å²	80	79.9 Å²	79.9	43%	0.428	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-95	118.4	-174.7	-145	5.5	0	0	0	110	G411 A415 G499	G411-N413 PolarHBondContact O-N 3.28Å; N413-A415 PolarHBondContact O-N 2.83Å; N413-G499 PolarHBondContact OD1-O 2.52Å
414	K	39.6	Very low	31.8	Very low	110 Å²	110	81.5 Å²	81.5	48%	0.478	46%	0.464	S	S	.	.			trans	-79.2	82.1	175.3	-102.9	-176.8	172.9	161.1	0	110.4	G499 E501	K414-G499 PolarHBondContact N-O 3.46Å; K414-G499 VanDerWaalsContact N-O 3.15Å; K414-E501 HydrophobicContact CD-CG 3.97Å; K414-E501 VanDerWaalsContact CE-CD 3.47Å; K414-E501 WeakPolarHBondContact CE-OE1 3.19Å; K414-E501 HydrophobicContact CG-CG 4.2Å; K414-E501 IonicContact NZ-OE1 2.66Å; K414-E501 PolarHBondContact NZ-OE1 3.15Å
415	A	32.4	Very low	31.3	Very low	74 Å²	74	81.2 Å²	81.2	61%	0.612	47%	0.474	S	S	*	.	S	Bend	trans	-77	-36.9	169.9	0	0	0	0	0	112	N413	N413-A415 PolarHBondContact O-N 2.83Å
416	H	29	Very low	31	Very low	178 Å²	178	83.8 Å²	83.8	82%	0.824	49%	0.488	S	S	*	.	S	Bend	trans	-152.2	47.8	-171.1	-70.3	-58.6	0	0	0	116.1	E418	H416-E418 PolarHBondContact O-N 2.98Å
417	G	24.4	Very low	30.8	Very low	71 Å²	71	83.6 Å²	83.6	73%	0.732	48%	0.483	S	S	*	.	S	Bend	trans	70.2	0.8	164.6	0	0	0	0	0	117.4
418	E	26.2	Very low	30.6	Very low	171 Å²	171	85 Å²	85	80%	0.799	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-93.6	126.1	171.8	-66.4	-178.5	167.2	0	0	110.3	H416	H416-E418 PolarHBondContact O-N 2.98Å
419	T	24.6	Very low	30.3	Very low	102 Å²	102	84 Å²	84	63%	0.626	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-64.5	127.2	170.8	25	0	0	0	0	110	D421	T419-D421 PolarHBondContact O-N 3.34Å
420	P	26.2	Very low	30.1	Very low	43 Å²	43	83.8 Å²	83.8	28%	0.279	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-68.8	124.4	178.9	24.1	-27.1	0	0	0	111.3	F412 F422 E501	F412-P420 HydrophobicContact CD1-CG 4.5Å; P420-F422 PolarHBondContact O-N 3.49Å; P420-E501 VanDerWaalsContact CD-OE2 3.27Å; P420-E501 WeakPolarHBondContact CD-OE2 3.34Å
421	D	26.4	Very low	30	Very low	163 Å²	163	88.7 Å²	88.7	87%	0.872	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-65.1	123.2	172.9	-86.4	-31.8	0	0	0	110.7	T419	T419-D421 PolarHBondContact O-N 3.34Å
422	F	25.6	Very low	30.1	Very low	110 Å²	110	89.3 Å²	89.3	48%	0.482	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-61.5	138	-161.7	-73.6	-93.4	0	0	0	116.1	P420 V505	P420-F422 PolarHBondContact O-N 3.49Å; F422-V505 HydrophobicContact CD1-CB 4.23Å; F422-V505 HydrophobicContact CD1-CG2 4.44Å; F422-V505 HydrophobicContact CD2-CG2 4.37Å; F422-V505 HydrophobicContact CE1-CB 3.67Å; F422-V505 HydrophobicContact CE1-CG2 3.71Å; F422-V505 HydrophobicContact CE2-CB 4.42Å; F422-V505 HydrophobicContact CE2-CG2 3.63Å; F422-V505 HydrophobicContact CZ-CB 3.79Å; F422-V505 HydrophobicContact CZ-CG2 3.25Å
423	F	30.7	Very low	29.7	Very low	98 Å²	98	93.7 Å²	93.7	43%	0.43	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-66.8	134.2	156.1	-76.4	-86	0	0	0	110.4	L410 Q427	L410-F423 WeakPolarHBondContact O-CE2 2.93Å; F423-Q427 HydrophobicContact CD1-CB 4.18Å
424	S	27.6	Very low	29.3	Very low	56 Å²	56	96.3 Å²	96.3	39%	0.392	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-68.7	146.2	171.9	67.2	0	0	0	0	110.9	K426 Q427 M428	S424-K426 PolarHBondContact O-N 3.4Å; S424-Q427 WeakPolarHBondContact O-CB 3.37Å; S424-Q427 PolarHBondContact O-N 3.03Å; S424-Q427 PolarHBondContact OG-N 3.03Å; S424-Q427 PolarHBondContact OG-OE1 3.43Å; S424-M428 PolarHBondContact O-N 3.42Å
425	A	27.5	Very low	29	Very low	65 Å²	65	94 Å²	94	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-50.3	-29.3	172.3	0	0	0	0	0	112.8	S429	A425-S429 WeakPolarHBondContact O-CB 3.41Å; A425-S429 PolarHBondContact O-N 2.94Å
426	K	28.6	Very low	28.9	Very low	150 Å²	150	92.1 Å²	92.1	65%	0.652	49%	0.489	S	S	*	.	H	α-helix	trans	-60.7	-45.1	173	-171.1	177	-178.4	178.8	0	112.4	S424 S429 M430	S424-K426 PolarHBondContact O-N 3.4Å; K426-S429 PolarHBondContact O-N 3.47Å; K426-S429 PolarHBondContact O-OG 3.12Å; K426-M430 WeakPolarHBondContact O-CG 3.33Å; K426-M430 PolarHBondContact O-N 3.16Å
427	Q	31.5	Very low	28.9	Very low	54 Å²	54	86.7 Å²	86.7	25%	0.252	47%	0.471	S	S	.	.	H	α-helix	trans	-69.4	-41.3	179.3	-76	170.2	-47.1	0	0	112.2	F423 S424 S429 M430 F431	F423-Q427 HydrophobicContact CD1-CB 4.18Å; S424-Q427 WeakPolarHBondContact O-CB 3.37Å; S424-Q427 PolarHBondContact O-N 3.03Å; S424-Q427 PolarHBondContact OG-N 3.03Å; S424-Q427 PolarHBondContact OG-OE1 3.43Å; Q427-S429 VanDerWaalsContact C-N 3.34Å; Q427-M430 HydrophobicContact CG-CE 4.2Å; Q427-M430 PolarHBondContact O-N 3.45Å; Q427-F431 PolarHBondContact O-N 3.35Å
428	M	30.7	Very low	29	Very low	31 Å²	31	90 Å²	90	15%	0.153	47%	0.471	C	S	.	.	H	α-helix	trans	-61.8	-42.6	171.3	-73.7	167.8	89	0	0	111	L410 S424 M430 F431 V432 W487	L410-M428 HydrophobicContact CD1-CE 4.15Å; S424-M428 PolarHBondContact O-N 3.42Å; M428-M430 PolarHBondContact O-N 3.05Å; M428-F431 PolarHBondContact O-N 3.07Å; M428-V432 VanDerWaalsContact O-CG2 3.31Å; M428-V432 WeakPolarHBondContact O-CG2 3.12Å; M428-V432 PolarHBondContact O-N 3.06Å; M428-W487 HydrophobicContact CE-CH2 3.56Å; M428-W487 HydrophobicContact CE-CZ3 3.7Å
429	S	30.2	Very low	29.2	Very low	31 Å²	31	84.3 Å²	84.3	22%	0.217	45%	0.453	C	S	.	.	H	α-helix	trans	-64.4	-37.3	175.4	90.1	0	0	0	0	112.8	A425 K426 Q427 R433	A425-S429 WeakPolarHBondContact O-CB 3.41Å; A425-S429 PolarHBondContact O-N 2.94Å; K426-S429 PolarHBondContact O-N 3.47Å; K426-S429 PolarHBondContact O-OG 3.12Å; Q427-S429 VanDerWaalsContact C-N 3.34Å; S429-R433 WeakPolarHBondContact O-CB 3.36Å; S429-R433 WeakPolarHBondContact O-CG 3.16Å; S429-R433 PolarHBondContact O-N 3.01Å
430	M	30.6	Very low	29.3	Very low	81 Å²	81	80.9 Å²	80.9	40%	0.399	44%	0.438	S	S	.	.	H	α-helix	trans	-69	-38.3	178	-77.8	-166.2	-53.4	0	0	112	K426 Q427 M428 R433 Q434	K426-M430 WeakPolarHBondContact O-CG 3.33Å; K426-M430 PolarHBondContact O-N 3.16Å; Q427-M430 HydrophobicContact CG-CE 4.2Å; Q427-M430 PolarHBondContact O-N 3.45Å; M428-M430 PolarHBondContact O-N 3.05Å; M430-R433 WeakPolarHBondContact O-CB 3.46Å; M430-R433 PolarHBondContact O-N 3.13Å; M430-Q434 WeakPolarHBondContact O-CG 3.36Å; M430-Q434 PolarHBondContact O-N 2.93Å
431	F	32	Very low	29.3	Very low	133 Å²	133	80.1 Å²	80.1	58%	0.583	44%	0.438	S	S	*	.	H	α-helix	trans	-66.6	-46.3	175.9	-177.7	-99.1	0	0	0	111.4	Q427 M428 R433 Q434 V435	Q427-F431 PolarHBondContact O-N 3.35Å; M428-F431 PolarHBondContact O-N 3.07Å; F431-R433 VanDerWaalsContact C-N 3.31Å; F431-R433 PolarHBondContact O-N 2.91Å; F431-Q434 PolarHBondContact O-N 3.34Å; F431-V435 HydrophobicContact CE1-CG2 4.24Å; F431-V435 HydrophobicContact CZ-CG2 4.24Å; F431-V435 WeakPolarHBondContact O-CG2 3.5Å; F431-V435 PolarHBondContact O-N 3.09Å; F431-V435 VanDerWaalsContact O-N 3.1Å
432	V	32.5	Very low	29.4	Very low	52 Å²	52	78 Å²	78	32%	0.315	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-41.3	173.4	174.2	0	0	0	0	110.9	M428 V435 A436	M428-V432 VanDerWaalsContact O-CG2 3.31Å; M428-V432 WeakPolarHBondContact O-CG2 3.12Å; M428-V432 PolarHBondContact O-N 3.06Å; V432-V435 PolarHBondContact O-N 3.14Å; V432-A436 WeakPolarHBondContact O-CB 3.43Å; V432-A436 PolarHBondContact O-N 2.94Å
433	R	29.9	Very low	29.6	Very low	115 Å²	115	78.7 Å²	78.7	43%	0.434	43%	0.429	S	S	.	.	H	α-helix	trans	-57.5	-47	173	-83.2	170.4	169.9	173.5	1	112.5	S429 M430 F431 S437 T523	S429-R433 WeakPolarHBondContact O-CB 3.36Å; S429-R433 WeakPolarHBondContact O-CG 3.16Å; S429-R433 PolarHBondContact O-N 3.01Å; M430-R433 WeakPolarHBondContact O-CB 3.46Å; M430-R433 PolarHBondContact O-N 3.13Å; F431-R433 VanDerWaalsContact C-N 3.31Å; F431-R433 PolarHBondContact O-N 2.91Å; R433-S437 WeakPolarHBondContact O-CB 3.49Å; R433-S437 PolarHBondContact O-N 2.65Å; R433-S437 PolarHBondContact O-OG 3.22Å; R433-S437 VanDerWaalsContact O-OG 3.05Å; R433-T523 PolarHBondContact NH2-OG1 2.76Å
434	Q	30.3	Very low	29.4	Very low	134 Å²	134	78.9 Å²	78.9	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-66.4	-40.4	-178.2	-76.7	174.2	-2.1	0	0	112.6	M430 F431 L438	M430-Q434 WeakPolarHBondContact O-CG 3.36Å; M430-Q434 PolarHBondContact O-N 2.93Å; F431-Q434 PolarHBondContact O-N 3.34Å; Q434-L438 WeakPolarHBondContact O-CB 3.42Å; Q434-L438 PolarHBondContact O-N 3.21Å; Q434-L438 VanDerWaalsContact O-N 3.11Å
435	V	31.6	Very low	29.3	Very low	63 Å²	63	80 Å²	80	38%	0.382	44%	0.436	S	S	.	.	H	α-helix	trans	-69.6	-42.4	178.6	176	0	0	0	0	111.3	F431 V432 L438 A439	F431-V435 HydrophobicContact CE1-CG2 4.24Å; F431-V435 HydrophobicContact CZ-CG2 4.24Å; F431-V435 WeakPolarHBondContact O-CG2 3.5Å; F431-V435 PolarHBondContact O-N 3.09Å; F431-V435 VanDerWaalsContact O-N 3.1Å; V432-V435 PolarHBondContact O-N 3.14Å; V435-L438 PolarHBondContact O-N 3.44Å; V435-A439 PolarHBondContact O-N 3.22Å
436	A	30.5	Very low	29.3	Very low	34 Å²	34	80.7 Å²	80.7	28%	0.281	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-42.7	176.9	0	0	0	0	0	112.4	V432 L438 A439 G440	V432-A436 WeakPolarHBondContact O-CB 3.43Å; V432-A436 PolarHBondContact O-N 2.94Å; A436-L438 VanDerWaalsContact C-N 3.34Å; A436-L438 PolarHBondContact O-N 2.89Å; A436-A439 PolarHBondContact O-N 3.12Å; A436-G440 PolarHBondContact O-N 3.19Å
437	S	29.3	Very low	29.2	Very low	64 Å²	64	77 Å²	77	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-33.2	176.2	-65.9	0	0	0	0	113.3	R433 G441	R433-S437 WeakPolarHBondContact O-CB 3.49Å; R433-S437 PolarHBondContact O-N 2.65Å; R433-S437 PolarHBondContact O-OG 3.22Å; R433-S437 VanDerWaalsContact O-OG 3.05Å; S437-G441 PolarHBondContact O-N 3.29Å
438	L	26.5	Very low	28.9	Very low	140 Å²	140	76.4 Å²	76.4	73%	0.733	42%	0.42	S	S	*	.	H	α-helix	trans	-68.7	-39.7	176.2	-151	88.4	0	0	0	111.6	Q434 V435 A436 L442	Q434-L438 WeakPolarHBondContact O-CB 3.42Å; Q434-L438 PolarHBondContact O-N 3.21Å; Q434-L438 VanDerWaalsContact O-N 3.11Å; V435-L438 PolarHBondContact O-N 3.44Å; A436-L438 VanDerWaalsContact C-N 3.34Å; A436-L438 PolarHBondContact O-N 2.89Å; L438-L442 PolarHBondContact O-N 2.93Å
439	A	29.6	Very low	28.6	Very low	52 Å²	52	82.3 Å²	82.3	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-72.1	-41.8	177.6	0	0	0	0	0	112.4	V435 A436 F443	V435-A439 PolarHBondContact O-N 3.22Å; A436-A439 PolarHBondContact O-N 3.12Å; A439-F443 PolarHBondContact O-N 3.49Å
440	G	28.4	Very low	28.4	Very low	29 Å²	29	83.3 Å²	83.3	30%	0.299	45%	0.452	S	S	.	.	H	α-helix	trans	-66.2	-44.3	174.8	0	0	0	0	0	112.8	A436 L442 F443 E444	A436-G440 PolarHBondContact O-N 3.19Å; G440-L442 VanDerWaalsContact C-N 3.31Å; G440-L442 PolarHBondContact O-N 3.3Å; G440-F443 WeakPolarHBondContact O-CA 3.21Å; G440-F443 WeakPolarHBondContact O-CB 3.14Å; G440-F443 PolarHBondContact O-N 2.91Å; G440-E444 PolarHBondContact O-N 2.89Å
441	G	25.5	Very low	28.1	Very low	27 Å²	27	83.1 Å²	83.1	28%	0.278	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-33.6	176.7	0	0	0	0	0	113.4	S437 F443 E444 V445	S437-G441 PolarHBondContact O-N 3.29Å; G441-F443 VanDerWaalsContact C-N 3.28Å; G441-F443 PolarHBondContact O-N 3.3Å; G441-E444 PolarHBondContact O-N 3.14Å; G441-V445 WeakPolarHBondContact O-CB 3.17Å; G441-V445 WeakPolarHBondContact O-CG2 3.33Å; G441-V445 PolarHBondContact O-N 3.39Å
442	L	27.7	Very low	27.8	Very low	120 Å²	120	81.4 Å²	81.4	63%	0.628	46%	0.463	S	S	*	.	H	α-helix	trans	-63.8	-36.2	172.7	-151.4	87	0	0	0	111.5	L438 G440 L446	L438-L442 PolarHBondContact O-N 2.93Å; G440-L442 VanDerWaalsContact C-N 3.31Å; G440-L442 PolarHBondContact O-N 3.3Å; L442-L446 WeakPolarHBondContact O-CD1 3.12Å; L442-L446 WeakPolarHBondContact O-CG 3.26Å; L442-L446 PolarHBondContact O-N 2.88Å
443	F	29.7	Very low	27.6	Very low	124 Å²	124	83 Å²	83	54%	0.544	47%	0.47	S	S	.	.	H	α-helix	trans	-75.4	-40	178.2	-140.6	-87.3	0	0	0	112.1	A439 G440 G441 V445 L446 T447 W477	A439-F443 PolarHBondContact O-N 3.49Å; G440-F443 WeakPolarHBondContact O-CA 3.21Å; G440-F443 WeakPolarHBondContact O-CB 3.14Å; G440-F443 PolarHBondContact O-N 2.91Å; G441-F443 VanDerWaalsContact C-N 3.28Å; G441-F443 PolarHBondContact O-N 3.3Å; F443-V445 VanDerWaalsContact C-N 3.33Å; F443-V445 PolarHBondContact O-N 3.11Å; F443-L446 CarbonylContact O-C 3.55Å; F443-L446 PolarHBondContact O-N 2.87Å; F443-L446 VanDerWaalsContact O-N 3.14Å; F443-T447 HydrophobicContact CD1-CG2 4.4Å; F443-T447 PolarHBondContact O-N 2.7Å; F443-T447 PolarHBondContact O-OG1 3.14Å; F443-W477 HydrophobicContact CE2-CH2 4.5Å
444	E	27.3	Very low	27.5	Very low	101 Å²	101	79.4 Å²	79.4	47%	0.472	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-43.7	172.2	-75.3	-171.6	156	0	0	111.1	G440 G441 L446 T447 V448	G440-E444 PolarHBondContact O-N 2.89Å; G441-E444 PolarHBondContact O-N 3.14Å; E444-L446 VanDerWaalsContact C-N 3.35Å; E444-L446 PolarHBondContact O-N 2.81Å; E444-T447 WeakPolarHBondContact CA-OG1 3.23Å; E444-T447 PolarHBondContact O-N 3.42Å; E444-T447 PolarHBondContact O-OG1 3.37Å; E444-V448 VanDerWaalsContact O-CB 3.26Å; E444-V448 WeakPolarHBondContact O-CB 3.36Å; E444-V448 WeakPolarHBondContact O-CG2 3.39Å; E444-V448 PolarHBondContact O-N 3.45Å
445	V	25.1	Very low	27.4	Very low	80 Å²	80	77.1 Å²	77.1	49%	0.485	46%	0.464	S	S	.	.	H	α-helix	trans	-61.4	-41.5	173	170.1	0	0	0	0	111	G441 F443 T447 F449	G441-V445 WeakPolarHBondContact O-CB 3.17Å; G441-V445 WeakPolarHBondContact O-CG2 3.33Å; G441-V445 PolarHBondContact O-N 3.39Å; F443-V445 VanDerWaalsContact C-N 3.33Å; F443-V445 PolarHBondContact O-N 3.11Å; V445-T447 VanDerWaalsContact C-N 3.35Å; V445-T447 PolarHBondContact O-N 2.91Å; V445-F449 HydrophobicContact CB-CD2 4.31Å; V445-F449 HydrophobicContact CG1-CD2 3.73Å; V445-F449 HydrophobicContact CG1-CE2 4.1Å; V445-F449 HydrophobicContact CG2-CE2 4.47Å; V445-F449 WeakPolarHBondContact O-CB 3.15Å; V445-F449 VanDerWaalsContact O-CD2 3.26Å; V445-F449 WeakPolarHBondContact O-CD2 3Å; V445-F449 PolarHBondContact O-N 2.69Å
446	L	27.3	Very low	27.3	Very low	79 Å²	79	79.7 Å²	79.7	41%	0.414	47%	0.473	S	S	.	.	H	α-helix	trans	-67.3	-30.4	175.6	-73.2	164.3	0	0	0	113.3	L442 F443 E444 S450	L442-L446 WeakPolarHBondContact O-CD1 3.12Å; L442-L446 WeakPolarHBondContact O-CG 3.26Å; L442-L446 PolarHBondContact O-N 2.88Å; F443-L446 CarbonylContact O-C 3.55Å; F443-L446 PolarHBondContact O-N 2.87Å; F443-L446 VanDerWaalsContact O-N 3.14Å; E444-L446 VanDerWaalsContact C-N 3.35Å; E444-L446 PolarHBondContact O-N 2.81Å; L446-S450 WeakPolarHBondContact O-CB 3.37Å; L446-S450 PolarHBondContact O-OG 3.27Å; L446-S450 VanDerWaalsContact O-OG 3.12Å
447	T	26.9	Very low	27.3	Very low	74 Å²	74	81.8 Å²	81.8	45%	0.454	48%	0.482	S	S	.	.	H	α-helix	trans	-81.9	-35	174.8	44.8	0	0	0	0	113.8	F443 E444 V445	F443-T447 HydrophobicContact CD1-CG2 4.4Å; F443-T447 PolarHBondContact O-N 2.7Å; F443-T447 PolarHBondContact O-OG1 3.14Å; E444-T447 WeakPolarHBondContact CA-OG1 3.23Å; E444-T447 PolarHBondContact O-N 3.42Å; E444-T447 PolarHBondContact O-OG1 3.37Å; V445-T447 VanDerWaalsContact C-N 3.35Å; V445-T447 PolarHBondContact O-N 2.91Å
448	V	25.5	Very low	27.3	Very low	41 Å²	41	80.1 Å²	80.1	25%	0.248	47%	0.467	C	S	.	.	H	α-helix	trans	-78.2	-34.1	-177.2	169.5	0	0	0	0	111.9	E444 F587	E444-V448 VanDerWaalsContact O-CB 3.26Å; E444-V448 WeakPolarHBondContact O-CB 3.36Å; E444-V448 WeakPolarHBondContact O-CG2 3.39Å; E444-V448 PolarHBondContact O-N 3.45Å; V448-F587 HydrophobicContact CG2-CD2 3.93Å; V448-F587 HydrophobicContact CG2-CE2 3.61Å; V448-F587 HydrophobicContact CG2-CZ 4.29Å
449	F	24.9	Very low	27.4	Very low	154 Å²	154	75.3 Å²	75.3	68%	0.675	45%	0.452	S	S	*	.	S	Bend	trans	-95.8	-4.3	-173.8	-74.9	-87.8	0	0	0	114.9	V445	V445-F449 HydrophobicContact CB-CD2 4.31Å; V445-F449 HydrophobicContact CG1-CD2 3.73Å; V445-F449 HydrophobicContact CG1-CE2 4.1Å; V445-F449 HydrophobicContact CG2-CE2 4.47Å; V445-F449 WeakPolarHBondContact O-CB 3.15Å; V445-F449 VanDerWaalsContact O-CD2 3.26Å; V445-F449 WeakPolarHBondContact O-CD2 3Å; V445-F449 PolarHBondContact O-N 2.69Å
450	S	24.9	Very low	27.4	Very low	53 Å²	53	77.5 Å²	77.5	37%	0.371	45%	0.452	S	S	.	.	S	Bend	trans	-126.6	7	-161.8	-51.1	0	0	0	0	117.1	L446 F452	L446-S450 WeakPolarHBondContact O-CB 3.37Å; L446-S450 PolarHBondContact O-OG 3.27Å; L446-S450 VanDerWaalsContact O-OG 3.12Å; S450-F452 VanDerWaalsContact CB-CD2 3.48Å; S450-F452 PolarHBondContact O-N 3.4Å
451	G	24.5	Very low	27.6	Very low	76 Å²	76	80.7 Å²	80.7	78%	0.784	46%	0.456	S	S	*	.			trans	58.7	17.8	171.2	0	0	0	0	0	115	N453	G451-N453 PolarHBondContact O-N 2.99Å; G451-N453 VanDerWaalsContact O-N 3.14Å
452	F	27	Very low	27.8	Very low	97 Å²	97	83 Å²	83	43%	0.425	46%	0.462	S	S	.	.			trans	-64.7	113	174.5	-78.9	-75.8	0	0	0	108.7	S450 M456	S450-F452 VanDerWaalsContact CB-CD2 3.48Å; S450-F452 PolarHBondContact O-N 3.4Å; F452-M456 HydrophobicContact CD1-CB 4.4Å; F452-M456 HydrophobicContact CD1-SD 4.44Å
453	N	28.2	Very low	27.8	Very low	86 Å²	86	82.2 Å²	82.2	46%	0.46	46%	0.455	S	S	.	.			trans	-77.6	153.4	168.4	87.8	13.8	0	0	0	109.9	G451 S455 M456	G451-N453 PolarHBondContact O-N 2.99Å; G451-N453 VanDerWaalsContact O-N 3.14Å; N453-S455 PolarHBondContact O-N 3.11Å; N453-S455 WeakPolarHBondContact OD1-CA 3.37Å; N453-S455 WeakPolarHBondContact OD1-CB 2.93Å; N453-S455 PolarHBondContact OD1-N 2.99Å; N453-S455 PolarHBondContact OD1-OG 3.36Å; N453-M456 PolarHBondContact O-N 3.28Å; N453-M456 PolarHBondContact OD1-N 3.08Å; N453-M456 VanDerWaalsContact OD1-N 3.07Å
454	A	27.7	Very low	27.7	Very low	40 Å²	40	78.1 Å²	78.1	33%	0.331	44%	0.438	S	S	.	.	H	α-helix	trans	-45.8	-35.7	176.6	0	0	0	0	0	115.1	V457 M458 I644	A454-V457 PolarHBondContact O-N 3.19Å; A454-M458 PolarHBondContact O-N 3.27Å; A454-M458 VanDerWaalsContact O-N 3.07Å; A454-I644 HydrophobicContact CB-CB 4.49Å; A454-I644 HydrophobicContact CB-CD1 3.28Å; A454-I644 HydrophobicContact CB-CG1 3.67Å; A454-I644 HydrophobicContact CB-CG2 4.01Å
455	S	27.2	Very low	27.7	Very low	85 Å²	85	75.7 Å²	75.7	59%	0.594	43%	0.43	S	S	*	.	H	α-helix	trans	-68.8	-34.2	-177.2	-36.5	0	0	0	0	112.5	N453 M458 G459	N453-S455 PolarHBondContact O-N 3.11Å; N453-S455 WeakPolarHBondContact OD1-CA 3.37Å; N453-S455 WeakPolarHBondContact OD1-CB 2.93Å; N453-S455 PolarHBondContact OD1-N 2.99Å; N453-S455 PolarHBondContact OD1-OG 3.36Å; S455-M458 PolarHBondContact O-N 2.8Å; S455-G459 PolarHBondContact O-N 2.99Å
456	M	29.1	Very low	28.1	Very low	117 Å²	117	77.2 Å²	77.2	58%	0.576	44%	0.436	S	S	*	.	H	α-helix	trans	-70.4	-36.6	175.9	-75.9	-176.8	173.9	0	0	112.1	F452 N453 G459 F460	F452-M456 HydrophobicContact CD1-CB 4.4Å; F452-M456 HydrophobicContact CD1-SD 4.44Å; N453-M456 PolarHBondContact O-N 3.28Å; N453-M456 PolarHBondContact OD1-N 3.08Å; N453-M456 VanDerWaalsContact OD1-N 3.07Å; M456-G459 PolarHBondContact O-N 3.4Å; M456-F460 PolarHBondContact O-N 2.87Å; M456-F460 VanDerWaalsContact O-N 3.16Å
457	V	30.5	Very low	28.2	Very low	78 Å²	78	75.3 Å²	75.3	47%	0.473	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-39.9	174.3	179.3	0	0	0	0	110.9	A454 F460 Y461	A454-V457 PolarHBondContact O-N 3.19Å; V457-F460 WeakPolarHBondContact O-CB 3.08Å; V457-F460 PolarHBondContact O-N 3.32Å; V457-Y461 PolarHBondContact O-N 3.12Å
458	M	30.5	Very low	28.4	Very low	29 Å²	29	80.1 Å²	80.1	14%	0.143	46%	0.456	C	S	.	.	H	α-helix	trans	-68.3	-35.7	174.3	-86.3	-62.6	-73.7	0	0	114.1	A454 S455 F460 Y461 N462 I644 P646	A454-M458 PolarHBondContact O-N 3.27Å; A454-M458 VanDerWaalsContact O-N 3.07Å; S455-M458 PolarHBondContact O-N 2.8Å; M458-F460 VanDerWaalsContact C-N 3.34Å; M458-Y461 PolarHBondContact O-N 3.43Å; M458-N462 WeakPolarHBondContact O-CB 3.49Å; M458-N462 PolarHBondContact O-N 3.26Å; M458-I644 HydrophobicContact CG-CB 4.4Å; M458-I644 HydrophobicContact CG-CG2 3.98Å; M458-P646 VanDerWaalsContact CE-CD 3.41Å; M458-P646 HydrophobicContact CE-CG 3.9Å
459	G	28.5	Very low	28.6	Very low	40 Å²	40	80.8 Å²	80.8	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-61.8	-42.5	173.2	0	0	0	0	0	112.1	S455 M456 N462 E463	S455-G459 PolarHBondContact O-N 2.99Å; M456-G459 PolarHBondContact O-N 3.4Å; G459-N462 PolarHBondContact O-N 2.94Å; G459-E463 PolarHBondContact O-N 3.03Å; G459-E463 VanDerWaalsContact O-N 3.1Å
460	F	29.8	Very low	28.8	Very low	97 Å²	97	77.6 Å²	77.6	43%	0.425	45%	0.454	S	S	.	.	H	α-helix	trans	-61.8	-49.6	173	-110.4	-93.1	0	0	0	111.9	V16 V18 M456 V457 M458 N462 E463 I464	V16-F460 HydrophobicContact CB-CZ 4.21Å; V16-F460 HydrophobicContact CG1-CE1 3.9Å; V16-F460 HydrophobicContact CG1-CE2 4.34Å; V16-F460 HydrophobicContact CG1-CZ 3.33Å; V16-F460 HydrophobicContact CG2-CE2 4.2Å; V16-F460 HydrophobicContact CG2-CZ 3.81Å; V18-F460 HydrophobicContact CG2-CE1 4.12Å; M456-F460 PolarHBondContact O-N 2.87Å; M456-F460 VanDerWaalsContact O-N 3.16Å; V457-F460 WeakPolarHBondContact O-CB 3.08Å; V457-F460 PolarHBondContact O-N 3.32Å; M458-F460 VanDerWaalsContact C-N 3.34Å; F460-N462 VanDerWaalsContact C-N 3.3Å; F460-N462 PolarHBondContact O-N 3.37Å; F460-E463 PolarHBondContact O-N 3.22Å; F460-I464 HydrophobicContact CD1-CD1 3.87Å; F460-I464 WeakPolarHBondContact O-CB 3.28Å; F460-I464 VanDerWaalsContact O-CD1 3.23Å; F460-I464 WeakPolarHBondContact O-CD1 3.32Å; F460-I464 VanDerWaalsContact O-CG1 3.23Å; F460-I464 WeakPolarHBondContact O-CG1 3.32Å; F460-I464 PolarHBondContact O-N 3.38Å; F460-I464 VanDerWaalsContact O-N 3.12Å
461	Y	31.7	Very low	29.1	Very low	97 Å²	97	81 Å²	81	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-58.2	-41.5	179.4	-162.3	-95.5	0	0	0	112.1	V457 M458 I464 V465	V457-Y461 PolarHBondContact O-N 3.12Å; M458-Y461 PolarHBondContact O-N 3.43Å; Y461-I464 PolarHBondContact O-N 2.67Å; Y461-V465 HydrophobicContact CD1-CG2 3.9Å; Y461-V465 HydrophobicContact CE1-CG2 3.75Å; Y461-V465 HydrophobicContact CG-CG2 4.44Å; Y461-V465 WeakPolarHBondContact O-CB 3.44Å; Y461-V465 WeakPolarHBondContact O-CG2 3.46Å; Y461-V465 PolarHBondContact O-N 3.1Å
462	N	29.5	Very low	29.2	Very low	76 Å²	76	78.1 Å²	78.1	41%	0.406	44%	0.438	S	S	.	.	H	α-helix	trans	-74.1	-32.8	180	-84.7	-22.6	0	0	0	114.6	M458 G459 F460 I464 N466	M458-N462 WeakPolarHBondContact O-CB 3.49Å; M458-N462 PolarHBondContact O-N 3.26Å; G459-N462 PolarHBondContact O-N 2.94Å; F460-N462 VanDerWaalsContact C-N 3.3Å; F460-N462 PolarHBondContact O-N 3.37Å; N462-I464 VanDerWaalsContact C-N 3.28Å; N462-N466 PolarHBondContact O-ND2 3.38Å
463	E	28.2	Very low	29.2	Very low	102 Å²	102	75.4 Å²	75.4	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-68	-32.1	172.4	-96.3	-103.8	122.3	0	0	111.6	M1 A2 G459 F460	M1-E463 PolarHBondContact N-OE1 3.5Å; A2-E463 HydrophobicContact CB-CG 4.16Å; A2-E463 VanDerWaalsContact CB-OE1 3.25Å; A2-E463 WeakPolarHBondContact CB-OE1 3.29Å; A2-E463 PolarHBondContact N-OE1 3.19Å; A2-E463 VanDerWaalsContact N-OE1 3.12Å; G459-E463 PolarHBondContact O-N 3.03Å; G459-E463 VanDerWaalsContact O-N 3.1Å; F460-E463 PolarHBondContact O-N 3.22Å
464	I	27.1	Very low	29.2	Very low	38 Å²	38	75.8 Å²	75.8	20%	0.195	43%	0.43	C	S	.	.	H	α-helix	trans	-77.2	-41.8	-179.5	-77.8	163.5	0	0	0	112.6	F460 Y461 N462 L473	F460-I464 HydrophobicContact CD1-CD1 3.87Å; F460-I464 WeakPolarHBondContact O-CB 3.28Å; F460-I464 VanDerWaalsContact O-CD1 3.23Å; F460-I464 WeakPolarHBondContact O-CD1 3.32Å; F460-I464 VanDerWaalsContact O-CG1 3.23Å; F460-I464 WeakPolarHBondContact O-CG1 3.32Å; F460-I464 PolarHBondContact O-N 3.38Å; F460-I464 VanDerWaalsContact O-N 3.12Å; Y461-I464 PolarHBondContact O-N 2.67Å; N462-I464 VanDerWaalsContact C-N 3.28Å; I464-L473 HydrophobicContact CB-CD1 3.79Å; I464-L473 HydrophobicContact CD1-CD1 3.29Å; I464-L473 HydrophobicContact CD1-CD2 4.49Å; I464-L473 HydrophobicContact CG1-CD1 3.29Å; I464-L473 HydrophobicContact CG2-CB 4.08Å; I464-L473 HydrophobicContact CG2-CD1 3.2Å; I464-L473 HydrophobicContact CG2-CG 4.18Å
465	V	28.2	Very low	29.2	Very low	51 Å²	51	75.7 Å²	75.7	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-78.4	-24.3	-171.8	168.1	0	0	0	0	113	Y461 G467 Q651	Y461-V465 HydrophobicContact CD1-CG2 3.9Å; Y461-V465 HydrophobicContact CE1-CG2 3.75Å; Y461-V465 HydrophobicContact CG-CG2 4.44Å; Y461-V465 WeakPolarHBondContact O-CB 3.44Å; Y461-V465 WeakPolarHBondContact O-CG2 3.46Å; Y461-V465 PolarHBondContact O-N 3.1Å; V465-G467 PolarHBondContact O-N 3.34Å; V465-Q651 HydrophobicContact CG1-CG 4.35Å
466	N	33.3	Very low	29.1	Very low	111 Å²	111	75.3 Å²	75.3	59%	0.594	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	6.3	-171.9	-75.6	-51.1	0	0	0	115.5	N462	N462-N466 PolarHBondContact O-ND2 3.38Å
467	G	29.7	Very low	29.1	Very low	39 Å²	39	74.9 Å²	74.9	40%	0.402	41%	0.408	S	S	.	.	S	Bend	trans	-119.6	22.2	-158.9	0	0	0	0	0	119.7	V465 T469	V465-G467 PolarHBondContact O-N 3.34Å; G467-T469 VanDerWaalsContact C-N 3.27Å; G467-T469 PolarHBondContact O-N 2.76Å
468	I	30.4	Very low	29	Very low	175 Å²	175	75.6 Å²	75.6	90%	0.897	41%	0.408	S	S	*	.	S	Bend	trans	79.3	1.1	178.8	-54.6	164	0	0	0	113.8
469	T	29.7	Very low	28.7	Very low	55 Å²	55	78 Å²	78	34%	0.337	42%	0.424	S	S	.	.			trans	-106.6	47.2	-172.4	38.7	0	0	0	0	114.6	G467 L471 G472	G467-T469 VanDerWaalsContact C-N 3.27Å; G467-T469 PolarHBondContact O-N 2.76Å; T469-L471 PolarHBondContact O-N 2.96Å; T469-G472 PolarHBondContact O-N 3.2Å
470	T	29.7	Very low	28.6	Very low	87 Å²	87	79.7 Å²	79.7	53%	0.534	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-8.2	163.8	37.4	0	0	0	0	113.6	D474	T470-D474 WeakPolarHBondContact O-CB 3.37Å; T470-D474 VanDerWaalsContact O-OD2 3.08Å
471	L	30.6	Very low	28.4	Very low	124 Å²	124	78.2 Å²	78.2	65%	0.649	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-20.7	174.1	-87.4	144.9	0	0	0	113.6	T469 V475	T469-L471 PolarHBondContact O-N 2.96Å; L471-V475 WeakPolarHBondContact O-CB 3.23Å; L471-V475 WeakPolarHBondContact O-CG2 3.44Å; L471-V475 PolarHBondContact O-N 2.91Å
472	G	26.3	Very low	28.2	Very low	17 Å²	17	74.7 Å²	74.7	18%	0.175	41%	0.413	C	S	.	.	H	α-helix	trans	-79	-49.2	-167.2	0	0	0	0	0	113.3	T469 V475 L476	T469-G472 PolarHBondContact O-N 3.2Å; G472-V475 WeakPolarHBondContact O-CB 3.32Å; G472-V475 PolarHBondContact O-N 3.05Å; G472-L476 PolarHBondContact O-N 2.66Å
473	L	26.7	Very low	28	Very low	39 Å²	39	75.7 Å²	75.7	20%	0.204	42%	0.415	C	S	.	.	H	α-helix	trans	-85.6	-27.5	174	-99.9	135.9	0	0	0	113.3	I464 V475 L476 W477	I464-L473 HydrophobicContact CB-CD1 3.79Å; I464-L473 HydrophobicContact CD1-CD1 3.29Å; I464-L473 HydrophobicContact CD1-CD2 4.49Å; I464-L473 HydrophobicContact CG1-CD1 3.29Å; I464-L473 HydrophobicContact CG2-CB 4.08Å; I464-L473 HydrophobicContact CG2-CD1 3.2Å; I464-L473 HydrophobicContact CG2-CG 4.18Å; L473-V475 PolarHBondContact O-N 2.7Å; L473-L476 HydrophobicContact CD2-CB 4.25Å; L473-L476 HydrophobicContact CD2-CD1 4.26Å; L473-L476 HydrophobicContact CG-CB 4.49Å; L473-L476 HydrophobicContact CG-CD1 4.08Å; L473-L476 PolarHBondContact O-N 3.48Å; L473-W477 WeakPolarHBondContact O-CB 3.17Å; L473-W477 PolarHBondContact O-N 2.95Å
474	D	29.2	Very low	27.9	Very low	95 Å²	95	75.1 Å²	75.1	51%	0.508	42%	0.415	S	S	.	.	H	α-helix	trans	-56	-34.7	159.3	-89	-3.5	0	0	0	110.2	T470 W477 I478	T470-D474 WeakPolarHBondContact O-CB 3.37Å; T470-D474 VanDerWaalsContact O-OD2 3.08Å; D474-W477 CarbonylContact O-C 3.53Å; D474-I478 HydrophobicContact CB-CD1 4.06Å; D474-I478 VanDerWaalsContact O-CA 3.25Å; D474-I478 WeakPolarHBondContact O-CA 3.42Å; D474-I478 WeakPolarHBondContact O-CB 3.23Å; D474-I478 WeakPolarHBondContact O-CD1 3.14Å; D474-I478 WeakPolarHBondContact O-CG1 3.46Å; D474-I478 PolarHBondContact O-N 3.22Å
475	V	27.1	Very low	27.8	Very low	37 Å²	37	76.8 Å²	76.8	22%	0.224	43%	0.43	C	S	.	.	H	α-helix	trans	-71.7	-39.4	175.2	160.4	0	0	0	0	113.8	L471 G472 L473 W477 I478 T479	L471-V475 WeakPolarHBondContact O-CB 3.23Å; L471-V475 WeakPolarHBondContact O-CG2 3.44Å; L471-V475 PolarHBondContact O-N 2.91Å; G472-V475 WeakPolarHBondContact O-CB 3.32Å; G472-V475 PolarHBondContact O-N 3.05Å; L473-V475 PolarHBondContact O-N 2.7Å; V475-W477 VanDerWaalsContact C-N 3.33Å; V475-I478 PolarHBondContact O-N 3.33Å; V475-T479 PolarHBondContact O-N 3.48Å; V475-T479 PolarHBondContact O-OG1 3.47Å; V475-T479 VanDerWaalsContact O-OG1 3.14Å
476	L	25.7	Very low	27.7	Very low	78 Å²	78	76.3 Å²	76.3	41%	0.408	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-35.8	173.3	-87.2	153.3	0	0	0	112.1	D19 G472 L473 T479 T480	D19-L476 HydrophobicContact CB-CD1 4.1Å; G472-L476 PolarHBondContact O-N 2.66Å; L473-L476 HydrophobicContact CD2-CB 4.25Å; L473-L476 HydrophobicContact CD2-CD1 4.26Å; L473-L476 HydrophobicContact CG-CB 4.49Å; L473-L476 HydrophobicContact CG-CD1 4.08Å; L473-L476 PolarHBondContact O-N 3.48Å; L476-T479 PolarHBondContact O-OG1 3.49Å; L476-T480 PolarHBondContact O-OG1 2.68Å
477	W	28.3	Very low	27.5	Very low	107 Å²	107	74.6 Å²	74.6	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-82.5	-25.5	174.3	-73.6	120.8	0	0	0	112.2	F443 L473 D474 V475 T480 F481	F443-W477 HydrophobicContact CE2-CH2 4.5Å; L473-W477 WeakPolarHBondContact O-CB 3.17Å; L473-W477 PolarHBondContact O-N 2.95Å; D474-W477 CarbonylContact O-C 3.53Å; V475-W477 VanDerWaalsContact C-N 3.33Å; W477-T480 CarbonylContact O-C 3.48Å; W477-T480 PolarHBondContact O-N 3.31Å; W477-F481 HydrophobicContact CB-CD2 3.86Å; W477-F481 HydrophobicContact CB-CE2 4.33Å; W477-F481 HydrophobicContact CD2-CD2 4.05Å; W477-F481 AromaticContact CD2-CE2 3.66Å; W477-F481 HydrophobicContact CD2-CE2 3.66Å; W477-F481 AromaticContact CE3-CD2 3.44Å; W477-F481 HydrophobicContact CE3-CD2 3.44Å; W477-F481 VanDerWaalsContact CE3-CD2 3.44Å; W477-F481 AromaticContact CE3-CE2 2.95Å; W477-F481 HydrophobicContact CE3-CE2 2.95Å; W477-F481 AromaticContact CE3-CZ 3.81Å; W477-F481 HydrophobicContact CE3-CZ 3.81Å; W477-F481 HydrophobicContact CG-CD2 4.28Å; W477-F481 HydrophobicContact CG-CE2 4.26Å; W477-F481 HydrophobicContact CH2-CE2 4.3Å; W477-F481 HydrophobicContact CZ3-CD2 4.19Å; W477-F481 AromaticContact CZ3-CE2 3.32Å; W477-F481 HydrophobicContact CZ3-CE2 3.32Å; W477-F481 AromaticContact CZ3-CZ 3.69Å; W477-F481 HydrophobicContact CZ3-CZ 3.69Å; W477-F481 WeakPolarHBondContact O-CA 3.33Å; W477-F481 WeakPolarHBondContact O-CB 3.2Å; W477-F481 WeakPolarHBondContact O-CD2 3.25Å; W477-F481 PolarHBondContact O-N 3.12Å
478	I	29.2	Very low	27.5	Very low	94 Å²	94	81 Å²	81	48%	0.482	44%	0.44	S	S	.	.	H	α-helix	trans	-74	-30.1	176.8	-83.5	159.1	0	0	0	109.7	D474 V475 T480 G482	D474-I478 HydrophobicContact CB-CD1 4.06Å; D474-I478 VanDerWaalsContact O-CA 3.25Å; D474-I478 WeakPolarHBondContact O-CA 3.42Å; D474-I478 WeakPolarHBondContact O-CB 3.23Å; D474-I478 WeakPolarHBondContact O-CD1 3.14Å; D474-I478 WeakPolarHBondContact O-CG1 3.46Å; D474-I478 PolarHBondContact O-N 3.22Å; V475-I478 PolarHBondContact O-N 3.33Å; I478-T480 VanDerWaalsContact C-N 3.32Å; I478-G482 WeakPolarHBondContact O-CA 3.26Å; I478-G482 PolarHBondContact O-N 2.81Å
479	T	24.5	Very low	27.6	Very low	79 Å²	79	74.2 Å²	74.2	49%	0.485	41%	0.407	S	S	.	.	H	α-helix	trans	-76.3	-22.5	170.1	36	0	0	0	0	113	V475 L476 H483	V475-T479 PolarHBondContact O-N 3.48Å; V475-T479 PolarHBondContact O-OG1 3.47Å; V475-T479 VanDerWaalsContact O-OG1 3.14Å; L476-T479 PolarHBondContact O-OG1 3.49Å; T479-H483 PolarHBondContact O-CD2 2.91Å
480	T	26.4	Very low	27.8	Very low	76 Å²	76	75.7 Å²	75.7	47%	0.466	41%	0.412	S	S	.	.	H	α-helix	trans	-96.8	-31.5	-177.4	-44	0	0	0	0	112.3	L476 W477 I478	L476-T480 PolarHBondContact O-OG1 2.68Å; W477-T480 CarbonylContact O-C 3.48Å; W477-T480 PolarHBondContact O-N 3.31Å; I478-T480 VanDerWaalsContact C-N 3.32Å
481	F	25.9	Very low	28	Very low	65 Å²	65	77.1 Å²	77.1	29%	0.285	41%	0.408	S	S	.	.	H	α-helix	trans	-111.4	-11.9	176.7	-66.7	-65.3	0	0	0	113.8	W477 H483 I484 S485	W477-F481 HydrophobicContact CB-CD2 3.86Å; W477-F481 HydrophobicContact CB-CE2 4.33Å; W477-F481 HydrophobicContact CD2-CD2 4.05Å; W477-F481 AromaticContact CD2-CE2 3.66Å; W477-F481 HydrophobicContact CD2-CE2 3.66Å; W477-F481 AromaticContact CE3-CD2 3.44Å; W477-F481 HydrophobicContact CE3-CD2 3.44Å; W477-F481 VanDerWaalsContact CE3-CD2 3.44Å; W477-F481 AromaticContact CE3-CE2 2.95Å; W477-F481 HydrophobicContact CE3-CE2 2.95Å; W477-F481 AromaticContact CE3-CZ 3.81Å; W477-F481 HydrophobicContact CE3-CZ 3.81Å; W477-F481 HydrophobicContact CG-CD2 4.28Å; W477-F481 HydrophobicContact CG-CE2 4.26Å; W477-F481 HydrophobicContact CH2-CE2 4.3Å; W477-F481 HydrophobicContact CZ3-CD2 4.19Å; W477-F481 AromaticContact CZ3-CE2 3.32Å; W477-F481 HydrophobicContact CZ3-CE2 3.32Å; W477-F481 AromaticContact CZ3-CZ 3.69Å; W477-F481 HydrophobicContact CZ3-CZ 3.69Å; W477-F481 WeakPolarHBondContact O-CA 3.33Å; W477-F481 WeakPolarHBondContact O-CB 3.2Å; W477-F481 WeakPolarHBondContact O-CD2 3.25Å; W477-F481 PolarHBondContact O-N 3.12Å; F481-H483 PolarHBondContact O-N 3.32Å; F481-I484 CarbonylContact O-C 3.59Å; F481-I484 WeakPolarHBondContact O-CA 3.39Å; F481-I484 WeakPolarHBondContact O-CB 3.39Å; F481-I484 PolarHBondContact O-N 3.5Å; F481-S485 PolarHBondContact O-N 3.3Å; F481-S485 PolarHBondContact O-OG 3.2Å
482	G	25.9	Very low	28.5	Very low	23 Å²	23	75.8 Å²	75.8	24%	0.237	40%	0.402	C	S	.	.	H	α-helix	trans	-69.7	-10.1	168.8	0	0	0	0	0	112.6	I478 I484 G486	I478-G482 WeakPolarHBondContact O-CA 3.26Å; I478-G482 PolarHBondContact O-N 2.81Å; G482-I484 PolarHBondContact O-N 3.38Å; G482-G486 WeakPolarHBondContact O-CA 3.35Å; G482-G486 PolarHBondContact O-N 2.97Å
483	H	26	Very low	29.3	Very low	97 Å²	97	76.4 Å²	76.4	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-58.4	-23.9	158.5	-80.3	-85.5	0	0	0	113.1	T479 F481 W487	T479-H483 PolarHBondContact O-CD2 2.91Å; F481-H483 PolarHBondContact O-N 3.32Å; H483-W487 PolarHBondContact O-NE1 3.46Å
484	I	25.8	Very low	30.1	Very low	91 Å²	91	76.1 Å²	76.1	47%	0.467	40%	0.397	S	S	.	.	H	α-helix	trans	-114.8	-32.7	-177.9	-52.4	176.6	0	0	0	111	F481 G482	F481-I484 CarbonylContact O-C 3.59Å; F481-I484 WeakPolarHBondContact O-CA 3.39Å; F481-I484 WeakPolarHBondContact O-CB 3.39Å; F481-I484 PolarHBondContact O-N 3.5Å; G482-I484 PolarHBondContact O-N 3.38Å
485	S	25.9	Very low	30.8	Very low	73 Å²	73	79.2 Å²	79.2	51%	0.51	40%	0.402	S	S	.	.	H	α-helix	trans	-91.2	-15.5	-179.1	-52.2	0	0	0	0	114.6	F481 W487	F481-S485 PolarHBondContact O-N 3.3Å; F481-S485 PolarHBondContact O-OG 3.2Å; S485-W487 VanDerWaalsContact C-N 3.31Å; S485-W487 PolarHBondContact O-N 2.91Å
486	G	26	Very low	31.6	Very low	41 Å²	41	83.7 Å²	83.7	42%	0.423	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	7.5	-179.6	0	0	0	0	0	115.4	G482 E488	G482-G486 WeakPolarHBondContact O-CA 3.35Å; G482-G486 PolarHBondContact O-N 2.97Å; G486-E488 VanDerWaalsContact C-N 3.27Å
487	W	28.9	Very low	32.3	Very low	75 Å²	75	81.5 Å²	81.5	28%	0.284	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.7	177.5	-72.2	59.2	0	0	0	112.9	M428 H483 S485 V489 W515	M428-W487 HydrophobicContact CE-CH2 3.56Å; M428-W487 HydrophobicContact CE-CZ3 3.7Å; H483-W487 PolarHBondContact O-NE1 3.46Å; S485-W487 VanDerWaalsContact C-N 3.31Å; S485-W487 PolarHBondContact O-N 2.91Å; W487-V489 PolarHBondContact O-N 2.79Å; W487-W515 HydrophobicContact CB-CE3 4.46Å; W487-W515 HydrophobicContact CD2-CH2 4.24Å; W487-W515 HydrophobicContact CD2-CZ3 4.31Å; W487-W515 HydrophobicContact CE3-CD2 4.4Å; W487-W515 AromaticContact CE3-CE2 3.97Å; W487-W515 HydrophobicContact CE3-CE3 4.25Å; W487-W515 AromaticContact CE3-CH2 3.24Å; W487-W515 HydrophobicContact CE3-CH2 3.24Å; W487-W515 AromaticContact CE3-CZ2 3.4Å; W487-W515 HydrophobicContact CE3-CZ2 3.4Å; W487-W515 VanDerWaalsContact CE3-CZ2 3.4Å; W487-W515 AromaticContact CE3-CZ3 3.69Å; W487-W515 HydrophobicContact CE3-CZ3 3.69Å; W487-W515 HydrophobicContact CH2-CH2 4.3Å; W487-W515 AromaticContact CZ3-CH2 3.28Å; W487-W515 HydrophobicContact CZ3-CH2 3.28Å; W487-W515 AromaticContact CZ3-CZ2 3.48Å; W487-W515 HydrophobicContact CZ3-CZ2 3.48Å; W487-W515 VanDerWaalsContact CZ3-CZ2 3.48Å; W487-W515 HydrophobicContact CZ3-CZ3 4.13Å
488	E	28.9	Very low	33	Very low	172 Å²	172	84.8 Å²	84.8	80%	0.804	43%	0.432	S	S	*	.			trans	-71.5	48.7	171.8	-65.3	-170.8	165.5	0	0	112.6	G486	G486-E488 VanDerWaalsContact C-N 3.27Å
489	V	32.2	Very low	33.5	Very low	34 Å²	34	82.1 Å²	82.1	21%	0.206	43%	0.428	C	S	.	.			trans	-106.8	99.9	-177.1	-172.8	0	0	0	0	109.5	L403 W487 N493 W494	L403-V489 HydrophobicContact CD1-CB 4.11Å; L403-V489 HydrophobicContact CD1-CG1 4.15Å; L403-V489 HydrophobicContact CD1-CG2 3.31Å; L403-V489 HydrophobicContact CD2-CB 4.33Å; L403-V489 HydrophobicContact CD2-CG1 3.71Å; L403-V489 HydrophobicContact CD2-CG2 4.4Å; L403-V489 HydrophobicContact CG-CG2 4.43Å; W487-V489 PolarHBondContact O-N 2.79Å; V489-N493 HydrophobicContact CG1-CB 3.32Å; V489-W494 HydrophobicContact CG1-CG 4.42Å
490	N	34.7	Very low	34.2	Very low	85 Å²	85	79.2 Å²	79.2	46%	0.455	41%	0.409	S	S	.	.			trans	-66.2	166	175.2	69.7	29.8	0	0	0	111.7	N492 N493 W494	N490-N492 PolarHBondContact O-N 3.03Å; N490-N492 VanDerWaalsContact O-N 3.15Å; N490-N492 WeakPolarHBondContact OD1-CB 3.38Å; N490-N492 PolarHBondContact OD1-N 3.12Å; N490-N492 VanDerWaalsContact OD1-N 3.12Å; N490-N493 WeakPolarHBondContact O-CB 3.42Å; N490-N493 PolarHBondContact O-N 2.75Å; N490-N493 VanDerWaalsContact OD1-CG 3.24Å; N490-N493 PolarHBondContact OD1-N 2.86Å; N490-N493 PolarHBondContact OD1-OD1 3.37Å; N490-W494 PolarHBondContact O-N 3.01Å
491	R	33.5	Very low	34.9	Very low	118 Å²	118	77.7 Å²	77.7	45%	0.445	40%	0.397	S	S	.	.	H	α-helix	trans	-54.5	-33.3	179.8	-173.3	-176.6	-174.1	-173.8	4.9	113.6	N493 W494 R495 F502	R491-N493 VanDerWaalsContact C-N 3.34Å; R491-W494 PolarHBondContact O-N 3.07Å; R491-R495 VanDerWaalsContact CZ-NH2 3.31Å; R491-R495 WeakPolarHBondContact O-CG 3.1Å; R491-R495 PolarHBondContact O-N 3.48Å; R491-F502 HydrophobicContact CB-CE2 4.01Å; R491-F502 HydrophobicContact CB-CZ 4.36Å; R491-F502 HydrophobicContact CG-CD2 4.3Å; R491-F502 HydrophobicContact CG-CE2 4.07Å; R491-F502 HydrophobicContact CG-CZ 4.26Å
492	N	41.1	Very low	35.6	Very low	96 Å²	96	77.1 Å²	77.1	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-68.3	-36.8	-180	-67.2	-22.2	0	0	0	111.4	N490 W494 R495 L496	N490-N492 PolarHBondContact O-N 3.03Å; N490-N492 VanDerWaalsContact O-N 3.15Å; N490-N492 WeakPolarHBondContact OD1-CB 3.38Å; N490-N492 PolarHBondContact OD1-N 3.12Å; N490-N492 VanDerWaalsContact OD1-N 3.12Å; N492-W494 PolarHBondContact O-N 2.75Å; N492-R495 PolarHBondContact O-N 2.96Å; N492-L496 VanDerWaalsContact O-CG 3.3Å; N492-L496 WeakPolarHBondContact O-CG 3.25Å; N492-L496 PolarHBondContact O-N 2.69Å
493	N	42.9	Very low	36	Very low	30 Å²	30	76.7 Å²	76.7	16%	0.16	39%	0.388	C	S	.	.	H	α-helix	trans	-68.7	-33	177.2	-65.6	-14.8	0	0	0	112.7	Y395 V489 N490 R491 L497	Y395-N493 PolarHBondContact OH-ND2 3.41Å; V489-N493 HydrophobicContact CG1-CB 3.32Å; N490-N493 WeakPolarHBondContact O-CB 3.42Å; N490-N493 PolarHBondContact O-N 2.75Å; N490-N493 VanDerWaalsContact OD1-CG 3.24Å; N490-N493 PolarHBondContact OD1-N 2.86Å; N490-N493 PolarHBondContact OD1-OD1 3.37Å; R491-N493 VanDerWaalsContact C-N 3.34Å; N493-L497 WeakPolarHBondContact O-CG 3.45Å
494	W	44.8	Very low	36.1	Very low	32 Å²	32	75.7 Å²	75.7	12%	0.121	39%	0.392	C	S	.	.	H	α-helix	trans	-69.2	-40	170.2	-78.5	89.9	0	0	0	112	L403 F412 V489 N490 R491 N492 L496 L497 L500 F502	L403-W494 HydrophobicContact CD2-CD2 3.85Å; L403-W494 VanDerWaalsContact CD2-CE2 3.47Å; L403-W494 HydrophobicContact CD2-CE3 4.25Å; L403-W494 HydrophobicContact CD2-CG 4.43Å; L403-W494 HydrophobicContact CD2-CH2 3.98Å; L403-W494 HydrophobicContact CD2-CZ2 3.54Å; L403-W494 HydrophobicContact CD2-CZ3 4.32Å; L403-W494 HydrophobicContact CG-CZ2 4.37Å; F412-W494 AromaticContact CD2-CH2 3.91Å; F412-W494 HydrophobicContact CD2-CH2 3.91Å; F412-W494 HydrophobicContact CD2-CZ3 4.32Å; F412-W494 HydrophobicContact CE2-CH2 4.39Å; V489-W494 HydrophobicContact CG1-CG 4.42Å; N490-W494 PolarHBondContact O-N 3.01Å; R491-W494 PolarHBondContact O-N 3.07Å; N492-W494 PolarHBondContact O-N 2.75Å; W494-L496 VanDerWaalsContact C-N 3.29Å; W494-L496 PolarHBondContact O-N 3.12Å; W494-L497 PolarHBondContact O-N 3.38Å; W494-L500 HydrophobicContact CE3-CB 3.88Å; W494-L500 HydrophobicContact CE3-CD1 4.35Å; W494-L500 HydrophobicContact CZ3-CB 3.82Å; W494-L500 HydrophobicContact CZ3-CD1 4.06Å; W494-L500 HydrophobicContact CZ3-CG 4.37Å; W494-F502 HydrophobicContact CB-CB 4.42Å; W494-F502 HydrophobicContact CB-CD2 3.96Å; W494-F502 AromaticContact CD1-CD2 3.94Å; W494-F502 AromaticContact CG-CD2 3.88Å; W494-F502 HydrophobicContact CG-CD2 3.88Å
495	R	43.9	Very low	36.1	Very low	160 Å²	160	76 Å²	76	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-66.5	-27.7	177.5	-76.8	177.5	167.9	-176.2	-7.2	113.7	R491 N492 L497	R491-R495 VanDerWaalsContact CZ-NH2 3.31Å; R491-R495 WeakPolarHBondContact O-CG 3.1Å; R491-R495 PolarHBondContact O-N 3.48Å; N492-R495 PolarHBondContact O-N 2.96Å; R495-L497 VanDerWaalsContact C-N 3.3Å
496	L	42.8	Very low	36	Very low	131 Å²	131	75.9 Å²	75.9	69%	0.686	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.9	175.5	-73.3	165.2	0	0	0	113.1	N492 W494	N492-L496 VanDerWaalsContact O-CG 3.3Å; N492-L496 WeakPolarHBondContact O-CG 3.25Å; N492-L496 PolarHBondContact O-N 2.69Å; W494-L496 VanDerWaalsContact C-N 3.29Å; W494-L496 PolarHBondContact O-N 3.12Å
497	L	41.6	Very low	36	Very low	33 Å²	33	76.7 Å²	76.7	17%	0.173	39%	0.385	C	S	.	.	S	Bend	trans	-101.1	82.1	177	-65.6	170	0	0	0	109.1	L403 N493 W494 R495 G499 L500	L403-L497 HydrophobicContact CB-CD1 4Å; L403-L497 HydrophobicContact CD2-CD1 3.99Å; N493-L497 WeakPolarHBondContact O-CG 3.45Å; W494-L497 PolarHBondContact O-N 3.38Å; R495-L497 VanDerWaalsContact C-N 3.3Å; L497-G499 PolarHBondContact O-N 2.91Å; L497-L500 HydrophobicContact CB-CD1 4.26Å; L497-L500 HydrophobicContact CD1-CD1 4.37Å
498	E	41.7	Very low	35.6	Very low	175 Å²	175	84.2 Å²	84.2	82%	0.818	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	134.8	172.7	-66.7	-176.3	164.9	0	0	111
499	G	39.8	Very low	35.3	Very low	39 Å²	39	82.2 Å²	82.2	40%	0.402	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	-12.2	177.9	0	0	0	0	0	116.3	N413 K414 L497	N413-G499 PolarHBondContact OD1-O 2.52Å; K414-G499 PolarHBondContact N-O 3.46Å; K414-G499 VanDerWaalsContact N-O 3.15Å; L497-G499 PolarHBondContact O-N 2.91Å
500	L	39.8	Very low	35.1	Very low	17 Å²	17	83.9 Å²	83.9	9%	0.089	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-106.4	129.9	176.4	-69.7	170.7	0	0	0	112.3	F412 W494 L497	F412-L500 HydrophobicContact CB-CD2 4.11Å; F412-L500 VanDerWaalsContact O-CA 3.32Å; F412-L500 WeakPolarHBondContact O-CA 3.37Å; W494-L500 HydrophobicContact CE3-CB 3.88Å; W494-L500 HydrophobicContact CE3-CD1 4.35Å; W494-L500 HydrophobicContact CZ3-CB 3.82Å; W494-L500 HydrophobicContact CZ3-CD1 4.06Å; W494-L500 HydrophobicContact CZ3-CG 4.37Å; L497-L500 HydrophobicContact CB-CD1 4.26Å; L497-L500 HydrophobicContact CD1-CD1 4.37Å
501	E	41.5	Very low	34.8	Very low	45 Å²	45	86.6 Å²	86.6	21%	0.21	44%	0.439	C	S	.	.			trans	-75.3	127	166.8	-89	-161.8	156.8	0	0	110.8	F412 K414 P420	F412-E501 PolarHBondContact O-N 2.98Å; K414-E501 HydrophobicContact CD-CG 3.97Å; K414-E501 VanDerWaalsContact CE-CD 3.47Å; K414-E501 WeakPolarHBondContact CE-OE1 3.19Å; K414-E501 HydrophobicContact CG-CG 4.2Å; K414-E501 IonicContact NZ-OE1 2.66Å; K414-E501 PolarHBondContact NZ-OE1 3.15Å; P420-E501 VanDerWaalsContact CD-OE2 3.27Å; P420-E501 WeakPolarHBondContact CD-OE2 3.34Å
502	F	39.6	Very low	34.6	Very low	52 Å²	52	88.9 Å²	88.9	23%	0.228	46%	0.455	C	S	.	.			trans	-60.1	131.7	166.3	175.8	-100.3	0	0	0	108.9	R491 W494 S504 L507	R491-F502 HydrophobicContact CB-CE2 4.01Å; R491-F502 HydrophobicContact CB-CZ 4.36Å; R491-F502 HydrophobicContact CG-CD2 4.3Å; R491-F502 HydrophobicContact CG-CE2 4.07Å; R491-F502 HydrophobicContact CG-CZ 4.26Å; W494-F502 HydrophobicContact CB-CB 4.42Å; W494-F502 HydrophobicContact CB-CD2 3.96Å; W494-F502 AromaticContact CD1-CD2 3.94Å; W494-F502 AromaticContact CG-CD2 3.88Å; W494-F502 HydrophobicContact CG-CD2 3.88Å; F502-S504 PolarHBondContact O-N 2.77Å; F502-L507 HydrophobicContact CE2-CD1 4.39Å; F502-L507 HydrophobicContact CZ-CB 4.45Å; F502-L507 HydrophobicContact CZ-CD1 3.76Å
503	P	35	Very low	34	Very low	15 Å²	15	86.3 Å²	86.3	10%	0.097	44%	0.443	C	S	.	.			trans	-69	85	174.7	27.3	-32.3	0	0	0	109.9	V505 L506	P503-V505 PolarHBondContact O-N 3.06Å; P503-V505 VanDerWaalsContact O-N 3.08Å; P503-L506 HydrophobicContact CB-CB 4.36Å; P503-L506 HydrophobicContact CB-CD1 3.83Å; P503-L506 HydrophobicContact CB-CG 4.42Å; P503-L506 HydrophobicContact CG-CD1 3.95Å; P503-L506 PolarHBondContact O-N 3.38Å; P503-L506 VanDerWaalsContact O-N 3.1Å
504	S	27.1	Very low	33.4	Very low	76 Å²	76	89.7 Å²	89.7	53%	0.531	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.4	-176.2	50.9	0	0	0	0	113.7	F502	F502-S504 PolarHBondContact O-N 2.77Å
505	V	25.8	Very low	32.6	Very low	98 Å²	98	92.5 Å²	92.5	59%	0.594	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.5	-179	-178.8	0	0	0	0	112.7	F422 P503 L507	F422-V505 HydrophobicContact CD1-CB 4.23Å; F422-V505 HydrophobicContact CD1-CG2 4.44Å; F422-V505 HydrophobicContact CD2-CG2 4.37Å; F422-V505 HydrophobicContact CE1-CB 3.67Å; F422-V505 HydrophobicContact CE1-CG2 3.71Å; F422-V505 HydrophobicContact CE2-CB 4.42Å; F422-V505 HydrophobicContact CE2-CG2 3.63Å; F422-V505 HydrophobicContact CZ-CB 3.79Å; F422-V505 HydrophobicContact CZ-CG2 3.25Å; P503-V505 PolarHBondContact O-N 3.06Å; P503-V505 VanDerWaalsContact O-N 3.08Å; V505-L507 VanDerWaalsContact C-N 3.31Å; V505-L507 PolarHBondContact O-N 2.9Å
506	L	25.6	Very low	31.8	Very low	69 Å²	69	90.6 Å²	90.6	36%	0.361	47%	0.469	S	S	.	.	S	Bend	trans	-77.7	-14	177	-89.4	164.5	0	0	0	113.5	P503	P503-L506 HydrophobicContact CB-CB 4.36Å; P503-L506 HydrophobicContact CB-CD1 3.83Å; P503-L506 HydrophobicContact CB-CG 4.42Å; P503-L506 HydrophobicContact CG-CD1 3.95Å; P503-L506 PolarHBondContact O-N 3.38Å; P503-L506 VanDerWaalsContact O-N 3.1Å
507	L	24.1	Very low	31	Very low	59 Å²	59	87.3 Å²	87.3	31%	0.309	46%	0.457	S	S	.	.			trans	-144.6	74.7	-174.3	-70.8	165.4	0	0	0	110.8	F502 V505 C509	F502-L507 HydrophobicContact CE2-CD1 4.39Å; F502-L507 HydrophobicContact CZ-CB 4.45Å; F502-L507 HydrophobicContact CZ-CD1 3.76Å; V505-L507 VanDerWaalsContact C-N 3.31Å; V505-L507 PolarHBondContact O-N 2.9Å; L507-C509 PolarHBondContact O-N 3.47Å
508	R	22	Very low	30.2	Very low	232 Å²	232	88.7 Å²	88.7	88%	0.875	47%	0.467	S	S	*	.	S	Bend	trans	-73.5	109.1	164.1	-107.2	-172.9	179.6	-176.6	1	108.3
509	C	22.2	Very low	29.5	Very low	130 Å²	130	86.9 Å²	86.9	88%	0.878	46%	0.456	S	S	*	.	S	Bend	trans	71.8	32.5	158.5	-51.3	0	0	0	0	117.8	L507	L507-C509 PolarHBondContact O-N 3.47Å
510	D	26.9	Very low	28.7	Very low	70 Å²	70	91 Å²	91	37%	0.374	46%	0.464	S	S	.	.			trans	-140	104.7	173.1	-164.5	-12.8	0	0	0	111.8	H512 T513	D510-H512 PolarHBondContact O-N 3.5Å; D510-H512 WeakPolarHBondContact OD1-CA 3.14Å; D510-H512 WeakPolarHBondContact OD1-CB 3.18Å; D510-H512 PolarHBondContact OD1-N 3.36Å; D510-T513 WeakPolarHBondContact CB-OG1 3.22Å; D510-T513 PolarHBondContact OD1-N 3.3Å; D510-T513 WeakPolarHBondContact OD2-CB 3.47Å; D510-T513 PolarHBondContact OD2-OG1 3.07Å
511	D	29.4	Very low	27.8	Very low	141 Å²	141	94.3 Å²	94.3	75%	0.754	49%	0.493	S	S	*	.	S	Bend	trans	-78.9	0.8	175.2	-64.7	-39.7	0	0	0	112
512	H	28.5	Very low	27	Very low	167 Å²	167	97.3 Å²	97.3	77%	0.773	51%	0.51	S	S	*	.	S	Bend	trans	-123.7	-13	-172.5	-58.6	-51.5	0	0	0	114.6	D510 N514	D510-H512 PolarHBondContact O-N 3.5Å; D510-H512 WeakPolarHBondContact OD1-CA 3.14Å; D510-H512 WeakPolarHBondContact OD1-CB 3.18Å; D510-H512 PolarHBondContact OD1-N 3.36Å; H512-N514 PolarHBondContact O-N 3.12Å
513	T	28.7	Very low	26.5	Very low	42 Å²	42	98.4 Å²	98.4	26%	0.258	52%	0.521	S	S	.	.			trans	-82.2	111.7	-177.9	45.9	0	0	0	0	112.8	D510 S517	D510-T513 WeakPolarHBondContact CB-OG1 3.22Å; D510-T513 PolarHBondContact OD1-N 3.3Å; D510-T513 WeakPolarHBondContact OD2-CB 3.47Å; D510-T513 PolarHBondContact OD2-OG1 3.07Å; T513-S517 VanDerWaalsContact CG2-CB 3.49Å
514	N	30.3	Very low	26.3	Very low	101 Å²	101	98.8 Å²	98.8	54%	0.54	52%	0.524	S	S	.	.			trans	-71.5	143.9	171.8	-76.1	-50.1	0	0	0	110.4	H512 H516 S517	H512-N514 PolarHBondContact O-N 3.12Å; N514-H516 VanDerWaalsContact CB-CD2 3.41Å; N514-H516 WeakPolarHBondContact CB-CD2 3.44Å; N514-H516 WeakPolarHBondContact CB-CE1 3.34Å; N514-H516 WeakPolarHBondContact CB-NE2 3.2Å; N514-H516 PolarHBondContact ND2-NE2 2.86Å; N514-H516 PolarHBondContact O-N 3.45Å; N514-S517 VanDerWaalsContact O-CB 3.26Å; N514-S517 WeakPolarHBondContact O-CB 3.08Å; N514-S517 PolarHBondContact O-N 3.25Å; N514-S517 PolarHBondContact O-OG 3.13Å
515	W	27.4	Very low	26.5	Very low	91 Å²	91	99.9 Å²	99.9	35%	0.345	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-58	-21.7	-174.8	-128.5	73.7	0	0	0	114.9	W487 S517 V518 F519	W487-W515 HydrophobicContact CB-CE3 4.46Å; W487-W515 HydrophobicContact CD2-CH2 4.24Å; W487-W515 HydrophobicContact CD2-CZ3 4.31Å; W487-W515 HydrophobicContact CE3-CD2 4.4Å; W487-W515 AromaticContact CE3-CE2 3.97Å; W487-W515 HydrophobicContact CE3-CE3 4.25Å; W487-W515 AromaticContact CE3-CH2 3.24Å; W487-W515 HydrophobicContact CE3-CH2 3.24Å; W487-W515 AromaticContact CE3-CZ2 3.4Å; W487-W515 HydrophobicContact CE3-CZ2 3.4Å; W487-W515 VanDerWaalsContact CE3-CZ2 3.4Å; W487-W515 AromaticContact CE3-CZ3 3.69Å; W487-W515 HydrophobicContact CE3-CZ3 3.69Å; W487-W515 HydrophobicContact CH2-CH2 4.3Å; W487-W515 AromaticContact CZ3-CH2 3.28Å; W487-W515 HydrophobicContact CZ3-CH2 3.28Å; W487-W515 AromaticContact CZ3-CZ2 3.48Å; W487-W515 HydrophobicContact CZ3-CZ2 3.48Å; W487-W515 VanDerWaalsContact CZ3-CZ2 3.48Å; W487-W515 HydrophobicContact CZ3-CZ3 4.13Å; W515-S517 PolarHBondContact O-N 2.58Å; W515-V518 PolarHBondContact O-N 3.3Å; W515-V518 VanDerWaalsContact O-N 3.07Å; W515-F519 HydrophobicContact CZ3-CD2 4.29Å; W515-F519 HydrophobicContact CZ3-CE2 4.5Å
516	H	28.9	Very low	26.7	Very low	119 Å²	119	102.5 Å²	102.5	55%	0.551	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-57.1	-26.8	170.4	57.1	59.1	0	0	0	112.7	N514 F520	N514-H516 VanDerWaalsContact CB-CD2 3.41Å; N514-H516 WeakPolarHBondContact CB-CD2 3.44Å; N514-H516 WeakPolarHBondContact CB-CE1 3.34Å; N514-H516 WeakPolarHBondContact CB-NE2 3.2Å; N514-H516 PolarHBondContact ND2-NE2 2.86Å; N514-H516 PolarHBondContact O-N 3.45Å; H516-F520 WeakPolarHBondContact O-CD2 3.35Å; H516-F520 WeakPolarHBondContact O-CE2 3.35Å
517	S	25.4	Very low	26.9	Very low	62 Å²	62	103 Å²	103	43%	0.434	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-79.4	-15.1	179.1	-52.2	0	0	0	0	113.6	T513 N514 W515	T513-S517 VanDerWaalsContact CG2-CB 3.49Å; N514-S517 VanDerWaalsContact O-CB 3.26Å; N514-S517 WeakPolarHBondContact O-CB 3.08Å; N514-S517 PolarHBondContact O-N 3.25Å; N514-S517 PolarHBondContact O-OG 3.13Å; W515-S517 PolarHBondContact O-N 2.58Å
518	V	25.5	Very low	27.4	Very low	63 Å²	63	101.3 Å²	101.3	38%	0.382	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-18	-179	-177.6	0	0	0	0	111.8	W515	W515-V518 PolarHBondContact O-N 3.3Å; W515-V518 VanDerWaalsContact O-N 3.07Å
519	F	25.7	Very low	28.1	Very low	136 Å²	136	93.7 Å²	93.7	60%	0.596	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-80.5	-17.4	-175.6	-138.4	-94.4	0	0	0	114	W515 A521	W515-F519 HydrophobicContact CZ3-CD2 4.29Å; W515-F519 HydrophobicContact CZ3-CE2 4.5Å; F519-A521 PolarHBondContact O-N 3.34Å
520	F	23.8	Very low	28.7	Very low	126 Å²	126	90.7 Å²	90.7	55%	0.553	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-73.5	6.3	-172.6	-75.2	-76.9	0	0	0	116	H516 S574	H516-F520 WeakPolarHBondContact O-CD2 3.35Å; H516-F520 WeakPolarHBondContact O-CE2 3.35Å; F520-S574 WeakPolarHBondContact CE1-OG 3.14Å
521	A	21.3	Very low	29	Very low	86 Å²	86	89.3 Å²	89.3	71%	0.711	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-114.9	4.7	-172.5	0	0	0	0	0	115.8	F519	F519-A521 PolarHBondContact O-N 3.34Å
522	L	24.4	Very low	29.5	Very low	108 Å²	108	83.4 Å²	83.4	57%	0.565	42%	0.42	S	S	*	.	S	Bend	trans	-137.2	83.1	-164.3	-68.4	170.2	0	0	0	116.1
523	T	29.2	Very low	30.2	Very low	76 Å²	76	78.3 Å²	78.3	47%	0.466	40%	0.401	S	S	.	.			trans	58.8	135.4	154.3	16.9	0	0	0	0	119.7	R433 W538	R433-T523 PolarHBondContact NH2-OG1 2.76Å; T523-W538 HydrophobicContact CG2-CH2 4.41Å; T523-W538 HydrophobicContact CG2-CZ2 4.5Å
524	P	29.4	Very low	30.7	Very low	22 Å²	22	84.1 Å²	84.1	14%	0.143	42%	0.423	C	S	.	.			trans	-56.4	148.5	178.9	-18.6	27.6	0	0	0	114.1	I528 L532 W538	P524-I528 HydrophobicContact CB-CB 4.29Å; P524-I528 HydrophobicContact CB-CG2 3.81Å; P524-L532 HydrophobicContact CG-CD1 4.41Å; P524-W538 HydrophobicContact CG-CE3 4.36Å; P524-W538 HydrophobicContact CG-CH2 4.11Å; P524-W538 HydrophobicContact CG-CZ3 3.77Å
525	H	32.7	Very low	30.9	Very low	99 Å²	99	83.5 Å²	83.5	46%	0.458	42%	0.419	S	S	.	.			trans	-60.2	152.6	176	-152.6	-103.3	0	0	0	112.1	E527 I528 K529 E573	H525-E527 VanDerWaalsContact C-N 3.34Å; H525-E527 IonicContact CE1-OE1 4Å; H525-E527 IonicContact CE1-OE2 2.73Å; H525-E527 PolarHBondContact CE1-OE2 2.83Å; H525-E527 IonicContact CG-OE2 3.89Å; H525-E527 IonicContact ND1-OE1 3.78Å; H525-E527 IonicContact ND1-OE2 2.75Å; H525-E527 PolarHBondContact ND1-OE2 2.88Å; H525-E527 PolarHBondContact O-N 3.43Å; H525-I528 WeakPolarHBondContact O-CB 3.05Å; H525-I528 PolarHBondContact O-N 2.96Å; H525-K529 PolarHBondContact O-N 2.81Å; H525-E573 PolarHBondContact N-OE1 2.76Å
526	Y	28.8	Very low	31.2	Very low	154 Å²	154	80.1 Å²	80.1	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-56.7	-39.1	-171.4	176	-99.7	0	0	0	113.9	I528 K529 I530	Y526-I528 VanDerWaalsContact C-N 3.33Å; Y526-I528 PolarHBondContact O-N 3.23Å; Y526-K529 WeakPolarHBondContact O-CB 3.48Å; Y526-K529 PolarHBondContact O-N 3.4Å; Y526-I530 HydrophobicContact CD1-CD1 3.84Å; Y526-I530 HydrophobicContact CE1-CD1 3.25Å; Y526-I530 HydrophobicContact CE1-CG1 4.27Å; Y526-I530 HydrophobicContact CE2-CD1 4.22Å; Y526-I530 VanDerWaalsContact CZ-CD1 3.48Å; Y526-I530 PolarHBondContact O-N 3.39Å
527	E	30.1	Very low	31.7	Very low	80 Å²	80	75.6 Å²	75.6	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-66.9	-35.9	178.4	-55.7	105.8	-169.6	0	0	111.9	H525 I530 L531	H525-E527 VanDerWaalsContact C-N 3.34Å; H525-E527 IonicContact CE1-OE1 4Å; H525-E527 IonicContact CE1-OE2 2.73Å; H525-E527 PolarHBondContact CE1-OE2 2.83Å; H525-E527 IonicContact CG-OE2 3.89Å; H525-E527 IonicContact ND1-OE1 3.78Å; H525-E527 IonicContact ND1-OE2 2.75Å; H525-E527 PolarHBondContact ND1-OE2 2.88Å; H525-E527 PolarHBondContact O-N 3.43Å; E527-I530 PolarHBondContact O-N 3.47Å; E527-L531 PolarHBondContact O-N 3.24Å
528	I	34.3	Very low	32.4	Very low	22 Å²	22	73.5 Å²	73.5	11%	0.113	37%	0.374	C	S	.	.	H	α-helix	trans	-70.1	-37.9	174.2	-71.4	165.3	0	0	0	110.3	P524 H525 Y526 I530 L531 L532 E573 R583	P524-I528 HydrophobicContact CB-CB 4.29Å; P524-I528 HydrophobicContact CB-CG2 3.81Å; H525-I528 WeakPolarHBondContact O-CB 3.05Å; H525-I528 PolarHBondContact O-N 2.96Å; Y526-I528 VanDerWaalsContact C-N 3.33Å; Y526-I528 PolarHBondContact O-N 3.23Å; I528-I530 PolarHBondContact O-N 2.84Å; I528-L531 CarbonylContact O-C 3.53Å; I528-L531 PolarHBondContact O-N 3.25Å; I528-L532 HydrophobicContact CG2-CD1 3.46Å; I528-L532 VanDerWaalsContact CG2-CD1 3.46Å; I528-L532 HydrophobicContact CG2-CG 3.77Å; I528-L532 VanDerWaalsContact O-CB 3.3Å; I528-L532 WeakPolarHBondContact O-CB 3.46Å; I528-L532 WeakPolarHBondContact O-CG 3.17Å; I528-L532 PolarHBondContact O-N 3.28Å; I528-E573 HydrophobicContact CD1-CG 3.71Å; I528-E573 WeakPolarHBondContact CD1-OE1 3.06Å; I528-R583 VanDerWaalsContact CD1-NH1 3.35Å
529	K	37.3	Very low	33.4	Very low	73 Å²	73	72.2 Å²	72.2	32%	0.317	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-44.6	174.1	-119.1	-177.8	178.2	-165.9	0	111.9	H525 Y526 L531 L532 V533 W538	H525-K529 PolarHBondContact O-N 2.81Å; Y526-K529 WeakPolarHBondContact O-CB 3.48Å; Y526-K529 PolarHBondContact O-N 3.4Å; K529-L531 VanDerWaalsContact C-N 3.3Å; K529-L531 PolarHBondContact O-N 2.96Å; K529-L532 PolarHBondContact O-N 2.56Å; K529-V533 VanDerWaalsContact O-CB 3.28Å; K529-V533 WeakPolarHBondContact O-CB 3.19Å; K529-V533 WeakPolarHBondContact O-CG2 3.26Å; K529-V533 PolarHBondContact O-N 3.07Å; K529-W538 HydrophobicContact CG-CD2 4.45Å
530	I	34.8	Very low	34.4	Very low	66 Å²	66	72.7 Å²	72.7	34%	0.338	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-42.6	174.1	-70.8	171.6	0	0	0	110.7	Y526 E527 I528 K534	Y526-I530 HydrophobicContact CD1-CD1 3.84Å; Y526-I530 HydrophobicContact CE1-CD1 3.25Å; Y526-I530 HydrophobicContact CE1-CG1 4.27Å; Y526-I530 HydrophobicContact CE2-CD1 4.22Å; Y526-I530 VanDerWaalsContact CZ-CD1 3.48Å; Y526-I530 PolarHBondContact O-N 3.39Å; E527-I530 PolarHBondContact O-N 3.47Å; I528-I530 PolarHBondContact O-N 2.84Å; I530-K534 HydrophobicContact CG2-CD 4.25Å; I530-K534 VanDerWaalsContact O-CB 3.29Å; I530-K534 WeakPolarHBondContact O-CB 3.4Å; I530-K534 WeakPolarHBondContact O-CG 3.35Å; I530-K534 PolarHBondContact O-N 3.04Å
531	L	33.6	Very low	35.3	Very low	42 Å²	42	72.3 Å²	72.3	22%	0.22	38%	0.381	C	S	.	.	H	α-helix	trans	-65.8	-46.7	179	-138.6	101	0	0	0	111.9	E527 I528 K529 K534 L535 E599	E527-L531 PolarHBondContact O-N 3.24Å; I528-L531 CarbonylContact O-C 3.53Å; I528-L531 PolarHBondContact O-N 3.25Å; K529-L531 VanDerWaalsContact C-N 3.3Å; K529-L531 PolarHBondContact O-N 2.96Å; L531-K534 PolarHBondContact O-N 3.01Å; L531-L535 HydrophobicContact CD2-CD1 3.85Å; L531-L535 HydrophobicContact CG-CD1 4.36Å; L531-L535 VanDerWaalsContact O-CB 3.28Å; L531-L535 WeakPolarHBondContact O-CB 3.09Å; L531-L535 WeakPolarHBondContact O-CG 3.4Å; L531-L535 PolarHBondContact O-N 3.1Å; L531-E599 WeakPolarHBondContact CD1-OE1 3.42Å; L531-E599 VanDerWaalsContact CD1-OE2 3.27Å; L531-E599 WeakPolarHBondContact CD1-OE2 3.42Å; L531-E599 WeakPolarHBondContact CD2-OE1 3.09Å; L531-E599 VanDerWaalsContact CD2-OE2 3.24Å; L531-E599 WeakPolarHBondContact CD2-OE2 3.22Å
532	L	39.2	Very low	35.9	Very low	16 Å²	16	70.2 Å²	70.2	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-68.7	-34.8	179.6	-64.5	174.8	0	0	0	111.6	P524 I528 K529 G536 I537 W538	P524-L532 HydrophobicContact CG-CD1 4.41Å; I528-L532 HydrophobicContact CG2-CD1 3.46Å; I528-L532 VanDerWaalsContact CG2-CD1 3.46Å; I528-L532 HydrophobicContact CG2-CG 3.77Å; I528-L532 VanDerWaalsContact O-CB 3.3Å; I528-L532 WeakPolarHBondContact O-CB 3.46Å; I528-L532 WeakPolarHBondContact O-CG 3.17Å; I528-L532 PolarHBondContact O-N 3.28Å; K529-L532 PolarHBondContact O-N 2.56Å; L532-G536 PolarHBondContact O-N 3.11Å; L532-G536 VanDerWaalsContact O-N 3.15Å; L532-I537 HydrophobicContact CB-CB 4.28Å; L532-I537 HydrophobicContact CD2-CB 3.91Å; L532-I537 HydrophobicContact CD2-CD1 3.98Å; L532-I537 HydrophobicContact CD2-CG2 3.81Å; L532-I537 WeakPolarHBondContact O-CA 3.49Å; L532-I537 PolarHBondContact O-N 3.18Å; L532-W538 HydrophobicContact CB-CB 3.54Å; L532-W538 HydrophobicContact CB-CG 4.45Å; L532-W538 HydrophobicContact CD1-CE3 4.08Å; L532-W538 PolarHBondContact O-N 3.24Å
533	V	43.4	Very low	36.2	Very low	61 Å²	61	73.7 Å²	73.7	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-46.5	171	170	0	0	0	0	110.2	K529 L535 G536 W538	K529-V533 VanDerWaalsContact O-CB 3.28Å; K529-V533 WeakPolarHBondContact O-CB 3.19Å; K529-V533 WeakPolarHBondContact O-CG2 3.26Å; K529-V533 PolarHBondContact O-N 3.07Å; V533-L535 VanDerWaalsContact C-N 3.31Å; V533-L535 PolarHBondContact O-N 3.15Å; V533-G536 PolarHBondContact O-N 3.28Å; V533-G536 VanDerWaalsContact O-N 3.08Å; V533-W538 HydrophobicContact CG2-CB 4.11Å; V533-W538 HydrophobicContact CG2-CG 4.3Å
534	K	39.2	Very low	36.4	Very low	164 Å²	164	75.5 Å²	75.5	71%	0.713	37%	0.372	S	S	*	.	H	α-helix	trans	-63.4	-32.7	175.9	-82.2	-174.6	174.1	-178.5	0	113.5	I530 L531 G536	I530-K534 HydrophobicContact CG2-CD 4.25Å; I530-K534 VanDerWaalsContact O-CB 3.29Å; I530-K534 WeakPolarHBondContact O-CB 3.4Å; I530-K534 WeakPolarHBondContact O-CG 3.35Å; I530-K534 PolarHBondContact O-N 3.04Å; L531-K534 PolarHBondContact O-N 3.01Å; K534-G536 VanDerWaalsContact C-N 3.29Å
535	L	35.5	Very low	36.7	Very low	87 Å²	87	76.3 Å²	76.3	46%	0.455	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.5	176.1	-68.3	170.5	0	0	0	113	L531 V533 I537	L531-L535 HydrophobicContact CD2-CD1 3.85Å; L531-L535 HydrophobicContact CG-CD1 4.36Å; L531-L535 VanDerWaalsContact O-CB 3.28Å; L531-L535 WeakPolarHBondContact O-CB 3.09Å; L531-L535 WeakPolarHBondContact O-CG 3.4Å; L531-L535 PolarHBondContact O-N 3.1Å; V533-L535 VanDerWaalsContact C-N 3.31Å; V533-L535 PolarHBondContact O-N 3.15Å; L535-I537 HydrophobicContact CB-CD1 3.5Å; L535-I537 VanDerWaalsContact CB-CD1 3.5Å; L535-I537 HydrophobicContact CB-CG1 3.79Å; L535-I537 HydrophobicContact CD1-CD1 3.8Å; L535-I537 HydrophobicContact CG-CD1 4.28Å; L535-I537 PolarHBondContact O-N 3.22Å
536	G	32.8	Very low	36.7	Very low	20 Å²	20	79.8 Å²	79.8	21%	0.206	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	24.8	-176	0	0	0	0	0	113.5	L532 V533 K534 R551	L532-G536 PolarHBondContact O-N 3.11Å; L532-G536 VanDerWaalsContact O-N 3.15Å; V533-G536 PolarHBondContact O-N 3.28Å; V533-G536 VanDerWaalsContact O-N 3.08Å; K534-G536 VanDerWaalsContact C-N 3.29Å; G536-R551 PolarHBondContact O-NH1 3.03Å
537	I	38.4	Very low	37.3	Very low	24 Å²	24	75.8 Å²	75.8	12%	0.123	39%	0.387	C	S	.	.	S	Bend	trans	-94.8	-17.6	178.6	-55.8	166.3	0	0	0	110.4	L532 L535 P545 F552	L532-I537 HydrophobicContact CB-CB 4.28Å; L532-I537 HydrophobicContact CD2-CB 3.91Å; L532-I537 HydrophobicContact CD2-CD1 3.98Å; L532-I537 HydrophobicContact CD2-CG2 3.81Å; L532-I537 WeakPolarHBondContact O-CA 3.49Å; L532-I537 PolarHBondContact O-N 3.18Å; L535-I537 HydrophobicContact CB-CD1 3.5Å; L535-I537 VanDerWaalsContact CB-CD1 3.5Å; L535-I537 HydrophobicContact CB-CG1 3.79Å; L535-I537 HydrophobicContact CD1-CD1 3.8Å; L535-I537 HydrophobicContact CG-CD1 4.28Å; L535-I537 PolarHBondContact O-N 3.22Å; I537-P545 WeakPolarHBondContact O-CD 3.5Å; I537-P545 WeakPolarHBondContact O-CG 3.26Å; I537-F552 HydrophobicContact CD1-CE2 4.34Å; I537-F552 HydrophobicContact CD1-CZ 3.63Å; I537-F552 HydrophobicContact CG1-CE2 4.33Å; I537-F552 HydrophobicContact CG1-CZ 4.06Å
538	W	40.1	Very low	37.4	Very low	19 Å²	19	74.9 Å²	74.9	7%	0.072	38%	0.384	C	S	.	.			trans	-130.6	136.5	-179.4	-169.2	-79.6	0	0	0	111.1	T523 P524 K529 L532 V533 W544	T523-W538 HydrophobicContact CG2-CH2 4.41Å; T523-W538 HydrophobicContact CG2-CZ2 4.5Å; P524-W538 HydrophobicContact CG-CE3 4.36Å; P524-W538 HydrophobicContact CG-CH2 4.11Å; P524-W538 HydrophobicContact CG-CZ3 3.77Å; K529-W538 HydrophobicContact CG-CD2 4.45Å; L532-W538 HydrophobicContact CB-CB 3.54Å; L532-W538 HydrophobicContact CB-CG 4.45Å; L532-W538 HydrophobicContact CD1-CE3 4.08Å; L532-W538 PolarHBondContact O-N 3.24Å; V533-W538 HydrophobicContact CG2-CB 4.11Å; V533-W538 HydrophobicContact CG2-CG 4.3Å; W538-W544 HydrophobicContact CE3-CZ2 4.47Å; W538-W544 HydrophobicContact CZ3-CD2 4.46Å; W538-W544 AromaticContact CZ3-CE2 3.87Å; W538-W544 HydrophobicContact CZ3-CH2 4.23Å; W538-W544 AromaticContact CZ3-CZ2 3.76Å; W538-W544 HydrophobicContact CZ3-CZ2 3.76Å
539	S	46.5	Very low	37.3	Very low	35 Å²	35	79.3 Å²	79.3	25%	0.245	41%	0.412	C	S	.	.			trans	-104.6	148.1	169.6	73.6	0	0	0	0	111.4	D541 G542 W543	S539-D541 WeakPolarHBondContact CB-OD1 3.13Å; S539-D541 WeakPolarHBondContact CB-OD2 3.44Å; S539-D541 PolarHBondContact O-N 3.32Å; S539-D541 VanDerWaalsContact O-N 3.14Å; S539-D541 PolarHBondContact OG-OD1 2.98Å; S539-D541 PolarHBondContact OG-OD2 3.22Å; S539-G542 PolarHBondContact O-N 3.28Å; S539-W543 PolarHBondContact OG-O 3.13Å; S539-W543 VanDerWaalsContact OG-O 3.12Å
540	D	46.7	Very low	37.3	Very low	146 Å²	146	79 Å²	79	78%	0.781	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.5	179.8	-79.1	-29.2	0	0	0	112.9	G542	D540-G542 PolarHBondContact O-N 3.17Å
541	D	43.4	Very low	37.2	Very low	119 Å²	119	82.9 Å²	82.9	64%	0.636	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.7	174.1	21.8	-54.2	0	0	0	113.2	S539 W543	S539-D541 WeakPolarHBondContact CB-OD1 3.13Å; S539-D541 WeakPolarHBondContact CB-OD2 3.44Å; S539-D541 PolarHBondContact O-N 3.32Å; S539-D541 VanDerWaalsContact O-N 3.14Å; S539-D541 PolarHBondContact OG-OD1 2.98Å; S539-D541 PolarHBondContact OG-OD2 3.22Å; D541-W543 VanDerWaalsContact C-N 3.28Å; D541-W543 PolarHBondContact O-N 3.43Å
542	G	33.5	Very low	37.1	Very low	42 Å²	42	83 Å²	83	43%	0.433	43%	0.426	S	S	.	.	S	Bend	trans	79.1	11.5	174.7	0	0	0	0	0	113.9	S539 D540	S539-G542 PolarHBondContact O-N 3.28Å; D540-G542 PolarHBondContact O-N 3.17Å
543	W	31.9	Very low	36.9	Very low	181 Å²	181	84.7 Å²	84.7	69%	0.686	45%	0.447	S	S	*	.			trans	-99.9	133.9	177.4	-68.7	76.7	0	0	0	110.1	S539 D541	S539-W543 PolarHBondContact OG-O 3.13Å; S539-W543 VanDerWaalsContact OG-O 3.12Å; D541-W543 VanDerWaalsContact C-N 3.28Å; D541-W543 PolarHBondContact O-N 3.43Å
544	W	33.7	Very low	36.7	Very low	114 Å²	114	92.2 Å²	92.2	43%	0.432	47%	0.469	S	S	.	.			trans	-65.9	138.1	166.1	-65.5	86.3	0	0	0	108.6	W538 L546 L566	W538-W544 HydrophobicContact CE3-CZ2 4.47Å; W538-W544 HydrophobicContact CZ3-CD2 4.46Å; W538-W544 AromaticContact CZ3-CE2 3.87Å; W538-W544 HydrophobicContact CZ3-CH2 4.23Å; W538-W544 AromaticContact CZ3-CZ2 3.76Å; W538-W544 HydrophobicContact CZ3-CZ2 3.76Å; W544-L546 PolarHBondContact O-N 3.32Å; W544-L566 HydrophobicContact CH2-CD2 3.61Å; W544-L566 HydrophobicContact CZ2-CD2 4.48Å; W544-L566 HydrophobicContact CZ3-CD2 3.93Å
545	P	34.3	Very low	36.5	Very low	39 Å²	39	93.4 Å²	93.4	25%	0.253	47%	0.469	S	S	.	.			trans	-61	113.3	166.5	23.4	-27.5	0	0	0	107.7	I537 D547	I537-P545 WeakPolarHBondContact O-CD 3.5Å; I537-P545 WeakPolarHBondContact O-CG 3.26Å; P545-D547 PolarHBondContact O-N 3.34Å
546	L	33.1	Very low	36.1	Very low	172 Å²	172	92.7 Å²	92.7	90%	0.901	48%	0.482	S	S	*	.	S	Bend	trans	-57.2	-2.6	-179.3	-97.5	138.9	0	0	0	114.7	W544	W544-L546 PolarHBondContact O-N 3.32Å
547	D	41.7	Very low	35.9	Very low	69 Å²	69	95.8 Å²	95.8	37%	0.369	49%	0.493	S	S	.	.			trans	-137.4	78.2	-178.9	-171.6	1.8	0	0	0	110.9	P545 T549 T550	P545-D547 PolarHBondContact O-N 3.34Å; D547-T549 PolarHBondContact O-N 3.08Å; D547-T549 WeakPolarHBondContact OD1-CB 3.12Å; D547-T549 PolarHBondContact OD1-N 2.65Å; D547-T549 PolarHBondContact OD1-OG1 2.95Å; D547-T550 PolarHBondContact O-OG1 3.03Å; D547-T550 PolarHBondContact OD1-N 3.27Å; D547-T550 VanDerWaalsContact OD1-N 3.17Å; D547-T550 PolarHBondContact OD1-OG1 2.94Å; D547-T550 WeakPolarHBondContact OD2-CB 3.1Å; D547-T550 WeakPolarHBondContact OD2-CG2 3.23Å; D547-T550 PolarHBondContact OD2-OG1 3.26Å
548	L	32.2	Very low	35.4	Very low	61 Å²	61	105.8 Å²	105.8	32%	0.319	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-27.7	172.3	-78.5	158.1	0	0	0	111.9	F552	L548-F552 HydrophobicContact CD2-CD2 4.32Å; L548-F552 HydrophobicContact CD2-CE2 3.89Å; L548-F552 WeakPolarHBondContact O-CD2 3.35Å
549	T	32.1	Very low	34.8	Very low	115 Å²	115	107.7 Å²	107.7	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-37.2	-177.3	19.8	0	0	0	0	113.3	D547 G553	D547-T549 PolarHBondContact O-N 3.08Å; D547-T549 WeakPolarHBondContact OD1-CB 3.12Å; D547-T549 PolarHBondContact OD1-N 2.65Å; D547-T549 PolarHBondContact OD1-OG1 2.95Å; T549-G553 PolarHBondContact O-N 2.74Å
550	T	37.4	Very low	34	Very low	67 Å²	67	113.7 Å²	113.7	41%	0.411	57%	0.57	S	S	.	*	H	α-helix	trans	-82.4	-24.3	-175.2	49	0	0	0	0	115.1	D547 R554	D547-T550 PolarHBondContact O-OG1 3.03Å; D547-T550 PolarHBondContact OD1-N 3.27Å; D547-T550 VanDerWaalsContact OD1-N 3.17Å; D547-T550 PolarHBondContact OD1-OG1 2.94Å; D547-T550 WeakPolarHBondContact OD2-CB 3.1Å; D547-T550 WeakPolarHBondContact OD2-CG2 3.23Å; D547-T550 PolarHBondContact OD2-OG1 3.26Å; T550-R554 WeakPolarHBondContact O-CD 3.22Å; T550-R554 VanDerWaalsContact O-CG 3.22Å; T550-R554 WeakPolarHBondContact O-CG 3.31Å; T550-R554 PolarHBondContact O-N 3.45Å
551	R	33.1	Very low	33.2	Very low	147 Å²	147	108.6 Å²	108.6	56%	0.555	55%	0.546	S	S	*	.	H	α-helix	trans	-85.7	-40.7	177.6	-79	-171.9	-173.6	-167.3	-0.4	113.7	G536	G536-R551 PolarHBondContact O-NH1 3.03Å
552	F	30.8	Very low	32.4	Very low	45 Å²	45	104.2 Å²	104.2	20%	0.197	53%	0.529	C	S	.	.	H	α-helix	trans	-74.3	-35.9	175.9	-75.3	-75.9	0	0	0	111.9	I537 L548 R554 R555 G556 I557 I559	I537-F552 HydrophobicContact CD1-CE2 4.34Å; I537-F552 HydrophobicContact CD1-CZ 3.63Å; I537-F552 HydrophobicContact CG1-CE2 4.33Å; I537-F552 HydrophobicContact CG1-CZ 4.06Å; L548-F552 HydrophobicContact CD2-CD2 4.32Å; L548-F552 HydrophobicContact CD2-CE2 3.89Å; L548-F552 WeakPolarHBondContact O-CD2 3.35Å; F552-R554 VanDerWaalsContact C-N 3.32Å; F552-R554 PolarHBondContact O-N 2.7Å; F552-R555 CarbonylContact O-C 3.49Å; F552-R555 PolarHBondContact O-N 3.07Å; F552-G556 PolarHBondContact O-N 3.08Å; F552-I557 CarbonylContact C-O 3.27Å; F552-I557 VanDerWaalsContact C-O 3.27Å; F552-I557 HydrophobicContact CB-CB 4.08Å; F552-I557 HydrophobicContact CB-CG2 4.34Å; F552-I557 WeakPolarHBondContact CB-O 3.36Å; F552-I557 HydrophobicContact CD1-CB 3.92Å; F552-I557 HydrophobicContact CD1-CD1 3.84Å; F552-I557 HydrophobicContact CD1-CG1 4.48Å; F552-I557 HydrophobicContact CD1-CG2 3.83Å; F552-I557 HydrophobicContact CE1-CD1 4.3Å; F552-I557 HydrophobicContact CG-CB 4.5Å; F552-I557 HydrophobicContact CG-CG2 4.45Å; F552-I557 PolarHBondContact O-N 2.8Å; F552-I559 HydrophobicContact CB-CD1 4.08Å; F552-I559 HydrophobicContact CB-CG1 4.34Å; F552-I559 HydrophobicContact CD1-CD1 3.85Å; F552-I559 HydrophobicContact CD2-CD1 3.45Å; F552-I559 VanDerWaalsContact CD2-CD1 3.45Å; F552-I559 HydrophobicContact CE1-CD1 4.08Å; F552-I559 HydrophobicContact CE2-CD1 3.71Å; F552-I559 HydrophobicContact CG-CD1 3.51Å; F552-I559 HydrophobicContact CG-CG1 4.25Å; F552-I559 HydrophobicContact CZ-CD1 4Å
553	G	34.7	Very low	32.1	Very low	51 Å²	51	107.8 Å²	107.8	53%	0.526	54%	0.538	S	S	.	.	H	α-helix	trans	-60.8	-36.5	172.5	0	0	0	0	0	113.5	T549 R555 G556	T549-G553 PolarHBondContact O-N 2.74Å; G553-R555 PolarHBondContact O-N 2.75Å; G553-G556 PolarHBondContact O-N 2.8Å
554	R	39.6	Very low	31.9	Very low	220 Å²	220	104.4 Å²	104.4	83%	0.83	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.5	174.6	-78.6	178.1	-175.7	-172	3.4	114.1	T550 F552	T550-R554 WeakPolarHBondContact O-CD 3.22Å; T550-R554 VanDerWaalsContact O-CG 3.22Å; T550-R554 WeakPolarHBondContact O-CG 3.31Å; T550-R554 PolarHBondContact O-N 3.45Å; F552-R554 VanDerWaalsContact C-N 3.32Å; F552-R554 PolarHBondContact O-N 2.7Å
555	R	35	Very low	31.5	Very low	188 Å²	188	101.2 Å²	101.2	71%	0.709	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	14.4	175.9	-66.7	-164.8	177.2	-168.7	1.3	113.4	F552 G553 I557	F552-R555 CarbonylContact O-C 3.49Å; F552-R555 PolarHBondContact O-N 3.07Å; G553-R555 PolarHBondContact O-N 2.75Å; R555-I557 VanDerWaalsContact C-N 3.26Å; R555-I557 HydrophobicContact CB-CD1 4.5Å; R555-I557 PolarHBondContact O-N 3.3Å
556	G	27.2	Very low	31.2	Very low	72 Å²	72	102.3 Å²	102.3	74%	0.742	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	9.7	177.8	0	0	0	0	0	115.1	F552 G553	F552-G556 PolarHBondContact O-N 3.08Å; G553-G556 PolarHBondContact O-N 2.8Å
557	I	27.8	Very low	30.9	Very low	85 Å²	85	99 Å²	99	44%	0.436	51%	0.514	S	S	.	.			trans	-96.5	110.8	-178.1	-59.5	168.6	0	0	0	108.5	F552 R555 I559	F552-I557 CarbonylContact C-O 3.27Å; F552-I557 VanDerWaalsContact C-O 3.27Å; F552-I557 HydrophobicContact CB-CB 4.08Å; F552-I557 HydrophobicContact CB-CG2 4.34Å; F552-I557 WeakPolarHBondContact CB-O 3.36Å; F552-I557 HydrophobicContact CD1-CB 3.92Å; F552-I557 HydrophobicContact CD1-CD1 3.84Å; F552-I557 HydrophobicContact CD1-CG1 4.48Å; F552-I557 HydrophobicContact CD1-CG2 3.83Å; F552-I557 HydrophobicContact CE1-CD1 4.3Å; F552-I557 HydrophobicContact CG-CB 4.5Å; F552-I557 HydrophobicContact CG-CG2 4.45Å; F552-I557 PolarHBondContact O-N 2.8Å; R555-I557 VanDerWaalsContact C-N 3.26Å; R555-I557 HydrophobicContact CB-CD1 4.5Å; R555-I557 PolarHBondContact O-N 3.3Å; I557-I559 HydrophobicContact CG2-CG1 3.94Å
558	R	27.9	Very low	30.2	Very low	235 Å²	235	102.1 Å²	102.1	89%	0.887	53%	0.526	S	S	*	.			trans	-86.8	111.4	169.3	-77.7	-176.9	176.3	176.8	-0.9	109.4
559	I	28.2	Very low	30.1	Very low	59 Å²	59	103.8 Å²	103.8	30%	0.303	53%	0.533	S	S	.	.			trans	-98.2	107.5	171.1	-54.6	-179	0	0	0	107.4	F552 I557 S561 C565	F552-I559 HydrophobicContact CB-CD1 4.08Å; F552-I559 HydrophobicContact CB-CG1 4.34Å; F552-I559 HydrophobicContact CD1-CD1 3.85Å; F552-I559 HydrophobicContact CD2-CD1 3.45Å; F552-I559 VanDerWaalsContact CD2-CD1 3.45Å; F552-I559 HydrophobicContact CE1-CD1 4.08Å; F552-I559 HydrophobicContact CE2-CD1 3.71Å; F552-I559 HydrophobicContact CG-CD1 3.51Å; F552-I559 HydrophobicContact CG-CG1 4.25Å; F552-I559 HydrophobicContact CZ-CD1 4Å; I557-I559 HydrophobicContact CG2-CG1 3.94Å; I559-S561 VanDerWaalsContact C-N 3.28Å; I559-S561 WeakPolarHBondContact CG2-O 3.2Å; I559-S561 PolarHBondContact O-N 3.23Å; I559-C565 HydrophobicContact CG2-CB 4.09Å
560	N	30.6	Very low	30	Very low	160 Å²	160	102.8 Å²	102.8	86%	0.856	52%	0.52	S	S	*	.	S	Bend	trans	-73.2	-13.6	-173.5	-80.6	-16.1	0	0	0	114.5
561	S	30.1	Very low	29.6	Very low	39 Å²	39	102.6 Å²	102.6	27%	0.273	52%	0.519	S	S	.	.			trans	-161.1	133.1	152.5	69.4	0	0	0	0	108.1	I559 D563 L564	I559-S561 VanDerWaalsContact C-N 3.28Å; I559-S561 WeakPolarHBondContact CG2-O 3.2Å; I559-S561 PolarHBondContact O-N 3.23Å; S561-D563 PolarHBondContact O-N 3.2Å; S561-L564 PolarHBondContact O-N 2.73Å; S561-L564 VanDerWaalsContact OG-CB 3.31Å; S561-L564 WeakPolarHBondContact OG-CB 3.39Å; S561-L564 WeakPolarHBondContact OG-CD1 3.26Å; S561-L564 PolarHBondContact OG-N 3.25Å
562	G	25.3	Very low	29.5	Very low	27 Å²	27	96.2 Å²	96.2	28%	0.278	50%	0.499	S	S	.	.	H	α-helix	trans	-57.6	-30.4	175.1	0	0	0	0	0	112	C565 L566	G562-C565 PolarHBondContact O-N 3.46Å; G562-L566 WeakPolarHBondContact O-CB 3.31Å; G562-L566 WeakPolarHBondContact O-CD1 3.49Å; G562-L566 VanDerWaalsContact O-CG 3.31Å; G562-L566 WeakPolarHBondContact O-CG 3.07Å; G562-L566 PolarHBondContact O-N 3.38Å
563	D	28.5	Very low	29.5	Very low	118 Å²	118	96.8 Å²	96.8	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-67.6	-37.8	-180	-60.6	-28.1	0	0	0	113.1	S561 L566 L567	S561-D563 PolarHBondContact O-N 3.2Å; D563-L566 PolarHBondContact O-N 2.69Å; D563-L567 VanDerWaalsContact O-CB 3.3Å; D563-L567 WeakPolarHBondContact O-CB 3.5Å; D563-L567 PolarHBondContact O-N 2.9Å
564	L	26.1	Very low	29.2	Very low	109 Å²	109	96.4 Å²	96.4	57%	0.571	49%	0.492	S	S	*	.	H	α-helix	trans	-68.7	-40.2	175.7	-93	156.7	0	0	0	112.2	S561 L566 L567 E568	S561-L564 PolarHBondContact O-N 2.73Å; S561-L564 VanDerWaalsContact OG-CB 3.31Å; S561-L564 WeakPolarHBondContact OG-CB 3.39Å; S561-L564 WeakPolarHBondContact OG-CD1 3.26Å; S561-L564 PolarHBondContact OG-N 3.25Å; L564-L566 VanDerWaalsContact C-N 3.34Å; L564-L567 PolarHBondContact O-N 3.31Å; L564-E568 WeakPolarHBondContact O-CB 3.47Å; L564-E568 PolarHBondContact O-N 2.99Å
565	C	25.7	Very low	28.7	Very low	47 Å²	47	87.2 Å²	87.2	32%	0.318	46%	0.459	S	S	.	.	H	α-helix	trans	-66.5	-39.4	177	-166.8	0	0	0	0	111	I559 G562 M569	I559-C565 HydrophobicContact CG2-CB 4.09Å; G562-C565 PolarHBondContact O-N 3.46Å; C565-M569 WeakPolarHBondContact O-CB 3.14Å; C565-M569 WeakPolarHBondContact O-CG 2.86Å; C565-M569 PolarHBondContact O-N 3.5Å
566	L	27.5	Very low	28.4	Very low	63 Å²	63	80.1 Å²	80.1	33%	0.33	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-42.5	173.7	-76.4	164.2	0	0	0	112.2	W544 G562 D563 L564 M569 Q570	W544-L566 HydrophobicContact CH2-CD2 3.61Å; W544-L566 HydrophobicContact CZ2-CD2 4.48Å; W544-L566 HydrophobicContact CZ3-CD2 3.93Å; G562-L566 WeakPolarHBondContact O-CB 3.31Å; G562-L566 WeakPolarHBondContact O-CD1 3.49Å; G562-L566 VanDerWaalsContact O-CG 3.31Å; G562-L566 WeakPolarHBondContact O-CG 3.07Å; G562-L566 PolarHBondContact O-N 3.38Å; D563-L566 PolarHBondContact O-N 2.69Å; L564-L566 VanDerWaalsContact C-N 3.34Å; L566-M569 PolarHBondContact O-N 2.66Å; L566-Q570 WeakPolarHBondContact O-CB 3.37Å; L566-Q570 PolarHBondContact O-N 2.91Å
567	L	27.2	Very low	28.5	Very low	103 Å²	103	80.4 Å²	80.4	54%	0.539	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-45.9	173.2	-100.9	147	0	0	0	111.3	D563 L564 Q570 V571	D563-L567 VanDerWaalsContact O-CB 3.3Å; D563-L567 WeakPolarHBondContact O-CB 3.5Å; D563-L567 PolarHBondContact O-N 2.9Å; L564-L567 PolarHBondContact O-N 3.31Å; L567-Q570 PolarHBondContact O-N 2.84Å; L567-V571 VanDerWaalsContact O-CB 3.24Å; L567-V571 WeakPolarHBondContact O-CB 3.33Å; L567-V571 WeakPolarHBondContact O-CG2 3.46Å; L567-V571 PolarHBondContact O-N 3.14Å
568	E	26.5	Very low	28.5	Very low	134 Å²	134	78.5 Å²	78.5	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-67.1	-39.6	177.5	-80	-171.4	151.3	0	0	112.8	L564 G572	L564-E568 WeakPolarHBondContact O-CB 3.47Å; L564-E568 PolarHBondContact O-N 2.99Å; E568-G572 PolarHBondContact O-N 3.1Å
569	M	30.4	Very low	28.7	Very low	96 Å²	96	71.2 Å²	71.2	47%	0.473	41%	0.409	S	S	.	.	H	α-helix	trans	-69	-36.6	175.7	-77.2	-166.6	166	0	0	112.5	C565 L566 G572 E573	C565-M569 WeakPolarHBondContact O-CB 3.14Å; C565-M569 WeakPolarHBondContact O-CG 2.86Å; C565-M569 PolarHBondContact O-N 3.5Å; L566-M569 PolarHBondContact O-N 2.66Å; M569-G572 CarbonylContact O-C 3.54Å; M569-G572 PolarHBondContact O-N 3.17Å; M569-E573 PolarHBondContact O-N 3.45Å
570	Q	29.6	Very low	28.7	Very low	94 Å²	94	72.8 Å²	72.8	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-74	-35.2	177.2	-169.2	175.5	12.1	0	0	111.6	L566 L567 E573 S574	L566-Q570 WeakPolarHBondContact O-CB 3.37Å; L566-Q570 PolarHBondContact O-N 2.91Å; L567-Q570 PolarHBondContact O-N 2.84Å; Q570-E573 PolarHBondContact O-N 2.99Å; Q570-S574 VanDerWaalsContact O-CB 3.26Å; Q570-S574 WeakPolarHBondContact O-CB 3.14Å; Q570-S574 PolarHBondContact O-N 3.4Å; Q570-S574 PolarHBondContact O-OG 3.46Å
571	V	29.7	Very low	28.7	Very low	62 Å²	62	67 Å²	67	38%	0.376	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-43.3	167.2	167.7	0	0	0	0	109.5	L567 E573 S574 L575	L567-V571 VanDerWaalsContact O-CB 3.24Å; L567-V571 WeakPolarHBondContact O-CB 3.33Å; L567-V571 WeakPolarHBondContact O-CG2 3.46Å; L567-V571 PolarHBondContact O-N 3.14Å; V571-E573 PolarHBondContact O-N 3.27Å; V571-S574 PolarHBondContact O-N 3.1Å; V571-L575 HydrophobicContact CG1-CD1 3.56Å; V571-L575 HydrophobicContact CG1-CG 4.21Å; V571-L575 VanDerWaalsContact O-CB 3.27Å; V571-L575 WeakPolarHBondContact O-CB 3.3Å; V571-L575 WeakPolarHBondContact O-CD1 2.97Å; V571-L575 WeakPolarHBondContact O-CG 3.42Å; V571-L575 PolarHBondContact O-N 3.44Å
572	G	30.9	Very low	28.7	Very low	14 Å²	14	68.9 Å²	68.9	14%	0.144	39%	0.393	C	S	.	.	H	α-helix	trans	-58.5	-42.6	173.2	0	0	0	0	0	113.3	E568 M569 S576	E568-G572 PolarHBondContact O-N 3.1Å; M569-G572 CarbonylContact O-C 3.54Å; M569-G572 PolarHBondContact O-N 3.17Å; G572-S576 WeakPolarHBondContact O-CB 3.36Å; G572-S576 PolarHBondContact O-N 3.39Å; G572-S576 PolarHBondContact O-OG 3.36Å
573	E	31.8	Very low	28.9	Very low	57 Å²	57	73 Å²	73	27%	0.266	40%	0.4	S	S	.	.	H	α-helix	trans	-69	-41.8	173.9	-93.8	-164.4	152.5	0	0	112.5	H525 I528 M569 Q570 V571 L575 S576 A577	H525-E573 PolarHBondContact N-OE1 2.76Å; I528-E573 HydrophobicContact CD1-CG 3.71Å; I528-E573 WeakPolarHBondContact CD1-OE1 3.06Å; M569-E573 PolarHBondContact O-N 3.45Å; Q570-E573 PolarHBondContact O-N 2.99Å; V571-E573 PolarHBondContact O-N 3.27Å; E573-L575 VanDerWaalsContact C-N 3.25Å; E573-L575 PolarHBondContact O-N 2.58Å; E573-S576 VanDerWaalsContact CA-OG 3.3Å; E573-S576 WeakPolarHBondContact CA-OG 3.46Å; E573-S576 PolarHBondContact O-N 3.12Å; E573-S576 PolarHBondContact O-OG 3.34Å; E573-A577 WeakPolarHBondContact O-CB 3.13Å; E573-A577 PolarHBondContact O-N 3.33Å
574	S	27.9	Very low	28.9	Very low	43 Å²	43	68.7 Å²	68.7	30%	0.301	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-34.6	178.1	-58.8	0	0	0	0	111.3	F520 Q570 V571	F520-S574 WeakPolarHBondContact CE1-OG 3.14Å; Q570-S574 VanDerWaalsContact O-CB 3.26Å; Q570-S574 WeakPolarHBondContact O-CB 3.14Å; Q570-S574 PolarHBondContact O-N 3.4Å; Q570-S574 PolarHBondContact O-OG 3.46Å; V571-S574 PolarHBondContact O-N 3.1Å
575	L	28.2	Very low	28.9	Very low	26 Å²	26	67.3 Å²	67.3	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-80.4	-37	176.4	-62.3	168.3	0	0	0	110.9	V571 E573 A578 R580 V581 Q608	V571-L575 HydrophobicContact CG1-CD1 3.56Å; V571-L575 HydrophobicContact CG1-CG 4.21Å; V571-L575 VanDerWaalsContact O-CB 3.27Å; V571-L575 WeakPolarHBondContact O-CB 3.3Å; V571-L575 WeakPolarHBondContact O-CD1 2.97Å; V571-L575 WeakPolarHBondContact O-CG 3.42Å; V571-L575 PolarHBondContact O-N 3.44Å; E573-L575 VanDerWaalsContact C-N 3.25Å; E573-L575 PolarHBondContact O-N 2.58Å; L575-A578 PolarHBondContact O-N 3.22Å; L575-R580 HydrophobicContact CB-CB 4.17Å; L575-R580 HydrophobicContact CD2-CB 4.32Å; L575-R580 CarbonylContact O-C 3.5Å; L575-R580 WeakPolarHBondContact O-CA 3.46Å; L575-R580 WeakPolarHBondContact O-CB 3.42Å; L575-R580 PolarHBondContact O-N 2.72Å; L575-V581 HydrophobicContact CB-CB 4.42Å; L575-V581 HydrophobicContact CB-CG2 3.35Å; L575-V581 HydrophobicContact CD1-CG2 4.24Å; L575-V581 HydrophobicContact CG-CG2 4.42Å; L575-V581 PolarHBondContact O-N 2.81Å; L575-Q608 HydrophobicContact CD1-CB 4.19Å; L575-Q608 HydrophobicContact CD1-CG 4.23Å
576	S	29.9	Very low	29	Very low	39 Å²	39	68.6 Å²	68.6	27%	0.273	37%	0.374	S	S	.	.	H	α-helix	trans	-70.9	-34.6	174.5	60.2	0	0	0	0	113.3	G572 E573 A578 N579 V581	G572-S576 WeakPolarHBondContact O-CB 3.36Å; G572-S576 PolarHBondContact O-N 3.39Å; G572-S576 PolarHBondContact O-OG 3.36Å; E573-S576 VanDerWaalsContact CA-OG 3.3Å; E573-S576 WeakPolarHBondContact CA-OG 3.46Å; E573-S576 PolarHBondContact O-N 3.12Å; E573-S576 PolarHBondContact O-OG 3.34Å; S576-A578 PolarHBondContact O-N 3.25Å; S576-N579 PolarHBondContact O-N 3.05Å; S576-V581 WeakPolarHBondContact CA-O 3.42Å; S576-V581 VanDerWaalsContact CB-O 3.28Å; S576-V581 WeakPolarHBondContact CB-O 3.24Å
577	A	28.8	Very low	29	Very low	78 Å²	78	70.1 Å²	70.1	65%	0.645	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.4	175.7	0	0	0	0	0	113.8	E573	E573-A577 WeakPolarHBondContact O-CB 3.13Å; E573-A577 PolarHBondContact O-N 3.33Å
578	A	27.9	Very low	29.2	Very low	46 Å²	46	68.2 Å²	68.2	38%	0.38	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	22.9	-179.5	0	0	0	0	0	113.8	L575 S576 R580	L575-A578 PolarHBondContact O-N 3.22Å; S576-A578 PolarHBondContact O-N 3.25Å; A578-R580 HydrophobicContact CB-CG 3.8Å; A578-R580 WeakPolarHBondContact O-CG 3.46Å; A578-R580 PolarHBondContact O-N 3.45Å
579	N	31.1	Very low	29.2	Very low	82 Å²	82	68.6 Å²	68.6	44%	0.439	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	22.1	-171.2	-74.9	-25.9	0	0	0	113.9	S576 R648	S576-N579 PolarHBondContact O-N 3.05Å; N579-R648 PolarHBondContact O-NH2 3.28Å
580	R	30.1	Very low	29.5	Very low	92 Å²	92	66.4 Å²	66.4	35%	0.347	35%	0.353	S	S	.	.			trans	-104.5	-10.9	-172	-43.3	-173.1	175.5	-178.6	-6.8	114.9	L575 A578 H612	L575-R580 HydrophobicContact CB-CB 4.17Å; L575-R580 HydrophobicContact CD2-CB 4.32Å; L575-R580 CarbonylContact O-C 3.5Å; L575-R580 WeakPolarHBondContact O-CA 3.46Å; L575-R580 WeakPolarHBondContact O-CB 3.42Å; L575-R580 PolarHBondContact O-N 2.72Å; A578-R580 HydrophobicContact CB-CG 3.8Å; A578-R580 WeakPolarHBondContact O-CG 3.46Å; A578-R580 PolarHBondContact O-N 3.45Å; R580-H612 PolarHBondContact NH1-CD2 2.8Å; R580-H612 PolarHBondContact NH1-NE2 3.34Å
581	V	30.3	Very low	29.6	Very low	37 Å²	37	65.6 Å²	65.6	22%	0.224	37%	0.37	C	S	.	.			trans	-144.9	119.6	175.4	-171.7	0	0	0	0	111.3	L575 S576	L575-V581 HydrophobicContact CB-CB 4.42Å; L575-V581 HydrophobicContact CB-CG2 3.35Å; L575-V581 HydrophobicContact CD1-CG2 4.24Å; L575-V581 HydrophobicContact CG-CG2 4.42Å; L575-V581 PolarHBondContact O-N 2.81Å; S576-V581 WeakPolarHBondContact CA-O 3.42Å; S576-V581 VanDerWaalsContact CB-O 3.28Å; S576-V581 WeakPolarHBondContact CB-O 3.24Å
582	P	30	Very low	29.6	Very low	79 Å²	79	71 Å²	71	51%	0.513	39%	0.391	S	S	.	.			trans	-79.7	129.9	171.5	25	-22.7	0	0	0	111.6	C645	P582-C645 HydrophobicContact CB-CB 4.15Å; P582-C645 HydrophobicContact CG-CB 3.4Å; P582-C645 VanDerWaalsContact CG-CB 3.4Å; P582-C645 WeakPolarHBondContact CG-SG 3.38Å
583	R	29	Very low	29.3	Very low	114 Å²	114	72.2 Å²	72.2	43%	0.43	40%	0.403	S	S	.	.			trans	-101.4	141.1	164.5	-75.8	-175.2	169.1	-150.5	2.9	108.9	I528	I528-R583 VanDerWaalsContact CD1-NH1 3.35Å
584	A	27.7	Very low	29	Very low	28 Å²	28	76.3 Å²	76.3	23%	0.231	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.2	179.6	0	0	0	0	0	112.6	F586 A600	A584-F586 HydrophobicContact CB-CD1 4.47Å; A584-F586 HydrophobicContact CB-CE1 3.47Å; A584-F586 VanDerWaalsContact CB-CE1 3.47Å; A584-F586 HydrophobicContact CB-CE2 4.28Å; A584-F586 HydrophobicContact CB-CZ 3.36Å; A584-A600 PolarHBondContact O-N 2.88Å; A584-A600 VanDerWaalsContact O-N 3.17Å
585	I	27.5	Very low	28.9	Very low	80 Å²	80	80.5 Å²	80.5	41%	0.41	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.2	169.1	-59.9	170.9	0	0	0	106.6	E599	I585-E599 HydrophobicContact CG1-CG 4.38Å
586	F	27.5	Very low	28.9	Very low	74 Å²	74	82.8 Å²	82.8	33%	0.325	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.2	176.5	-37.1	-71.6	0	0	0	109.9	A584 R598 A600 H642 I644	A584-F586 HydrophobicContact CB-CD1 4.47Å; A584-F586 HydrophobicContact CB-CE1 3.47Å; A584-F586 VanDerWaalsContact CB-CE1 3.47Å; A584-F586 HydrophobicContact CB-CE2 4.28Å; A584-F586 HydrophobicContact CB-CZ 3.36Å; F586-R598 PolarHBondContact N-O 2.72Å; F586-R598 WeakPolarHBondContact O-CA 3.33Å; F586-R598 PolarHBondContact O-N 3.44Å; F586-A600 HydrophobicContact CE2-CB 3.61Å; F586-A600 HydrophobicContact CZ-CB 4.35Å; F586-H642 AromaticContact CZ-CE1 3.8Å; F586-H642 AromaticContact CZ-NE2 3.65Å; F586-I644 HydrophobicContact CD1-CD1 4.36Å; F586-I644 HydrophobicContact CE1-CD1 3.38Å; F586-I644 HydrophobicContact CZ-CD1 3.57Å
587	F	27.2	Very low	28.7	Very low	94 Å²	94	84.6 Å²	84.6	41%	0.412	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.3	172.3	-62.4	-93.1	0	0	0	109.3	V448 W595 P597	V448-F587 HydrophobicContact CG2-CD2 3.93Å; V448-F587 HydrophobicContact CG2-CE2 3.61Å; V448-F587 HydrophobicContact CG2-CZ 4.29Å; F587-W595 HydrophobicContact CB-CD2 4.4Å; F587-W595 HydrophobicContact CB-CE3 3.33Å; F587-W595 HydrophobicContact CB-CZ3 3.5Å; F587-W595 VanDerWaalsContact CB-CZ3 3.5Å; F587-W595 HydrophobicContact CG-CE3 4.31Å; F587-P597 HydrophobicContact CD1-CB 4.27Å; F587-P597 HydrophobicContact CE1-CB 4.12Å
588	H	30.9	Very low	28.8	Very low	64 Å²	64	85.3 Å²	85.3	30%	0.296	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.2	172.8	94	-19.7	0	0	0	111.1	L596	H588-L596 PolarHBondContact N-O 2.68Å; H588-L596 PolarHBondContact O-N 2.78Å
589	Y	27.9	Very low	28.9	Very low	141 Å²	141	87.1 Å²	87.1	55%	0.553	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.4	170.4	-115.5	-116.8	0	0	0	109.1	G591 W595	Y589-G591 PolarHBondContact O-N 2.79Å; Y589-W595 HydrophobicContact CD2-CD2 4.07Å; Y589-W595 HydrophobicContact CD2-CE3 4.13Å; Y589-W595 HydrophobicContact CD2-CZ2 4.43Å; Y589-W595 HydrophobicContact CD2-CZ3 4.44Å; Y589-W595 AromaticContact CE2-CD2 3.96Å; Y589-W595 HydrophobicContact CE2-CD2 3.96Å; Y589-W595 AromaticContact CE2-CE2 3.64Å; Y589-W595 HydrophobicContact CE2-CE3 4.44Å; Y589-W595 HydrophobicContact CE2-CG 4.36Å; Y589-W595 HydrophobicContact CE2-CZ2 4.01Å; Y589-W595 AromaticContact CE2-NE1 3.7Å
590	D	35.8	Very low	28.7	Very low	50 Å²	50	84.8 Å²	84.8	27%	0.267	43%	0.431	S	S	.	.			trans	-76.4	19.1	-176.1	73.2	-11.1	0	0	0	115.3	Q592 G593 K594 L596	D590-Q592 PolarHBondContact O-N 2.79Å; D590-Q592 WeakPolarHBondContact OD1-CA 3.25Å; D590-Q592 WeakPolarHBondContact OD1-CB 3.37Å; D590-Q592 PolarHBondContact OD1-N 3.44Å; D590-G593 PolarHBondContact OD1-N 2.68Å; D590-K594 VanDerWaalsContact CG-CB 3.45Å; D590-K594 PolarHBondContact N-O 2.75Å; D590-K594 WeakPolarHBondContact OD1-CB 3.44Å; D590-K594 PolarHBondContact OD1-N 3.01Å; D590-K594 WeakPolarHBondContact OD2-CB 3.42Å; D590-L596 HydrophobicContact CB-CD1 3.77Å; D590-L596 HydrophobicContact CB-CG 4.27Å
591	G	31.3	Very low	28.7	Very low	78 Å²	78	84.3 Å²	84.3	80%	0.804	43%	0.434	S	S	*	.	S	Bend	trans	70.7	-10.7	-173.4	0	0	0	0	0	114.9	Y589	Y589-G591 PolarHBondContact O-N 2.79Å
592	Q	30.7	Very low	28.6	Very low	176 Å²	176	85.5 Å²	85.5	82%	0.822	45%	0.449	S	S	*	.	S	Bend	trans	-109	6.1	175.3	-62.5	-161.8	-1.1	0	0	113.8	D590	D590-Q592 PolarHBondContact O-N 2.79Å; D590-Q592 WeakPolarHBondContact OD1-CA 3.25Å; D590-Q592 WeakPolarHBondContact OD1-CB 3.37Å; D590-Q592 PolarHBondContact OD1-N 3.44Å
593	G	24.3	Very low	28.3	Very low	38 Å²	38	90.5 Å²	90.5	39%	0.392	46%	0.462	S	S	.	.	S	Bend	trans	91.7	4.7	-179.4	0	0	0	0	0	114.8	D590	D590-G593 PolarHBondContact OD1-N 2.68Å
594	K	25.1	Very low	28.1	Very low	144 Å²	144	87.3 Å²	87.3	63%	0.626	47%	0.465	S	S	*	.			trans	-99.1	131.7	-178.3	-113.1	176.4	-177.4	176	0	110.6	D590 L596	D590-K594 VanDerWaalsContact CG-CB 3.45Å; D590-K594 PolarHBondContact N-O 2.75Å; D590-K594 WeakPolarHBondContact OD1-CB 3.44Å; D590-K594 PolarHBondContact OD1-N 3.01Å; D590-K594 WeakPolarHBondContact OD2-CB 3.42Å; K594-L596 PolarHBondContact O-N 2.82Å
595	W	26.8	Very low	27.9	Very low	131 Å²	131	87.2 Å²	87.2	50%	0.496	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.7	170.5	-72	102.7	0	0	0	109.8	F587 Y589	F587-W595 HydrophobicContact CB-CD2 4.4Å; F587-W595 HydrophobicContact CB-CE3 3.33Å; F587-W595 HydrophobicContact CB-CZ3 3.5Å; F587-W595 VanDerWaalsContact CB-CZ3 3.5Å; F587-W595 HydrophobicContact CG-CE3 4.31Å; Y589-W595 HydrophobicContact CD2-CD2 4.07Å; Y589-W595 HydrophobicContact CD2-CE3 4.13Å; Y589-W595 HydrophobicContact CD2-CZ2 4.43Å; Y589-W595 HydrophobicContact CD2-CZ3 4.44Å; Y589-W595 AromaticContact CE2-CD2 3.96Å; Y589-W595 HydrophobicContact CE2-CD2 3.96Å; Y589-W595 AromaticContact CE2-CE2 3.64Å; Y589-W595 HydrophobicContact CE2-CE3 4.44Å; Y589-W595 HydrophobicContact CE2-CG 4.36Å; Y589-W595 HydrophobicContact CE2-CZ2 4.01Å; Y589-W595 AromaticContact CE2-NE1 3.7Å
596	L	27.1	Very low	27.8	Very low	74 Å²	74	87.5 Å²	87.5	39%	0.387	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	169.9	-67.1	176.4	0	0	0	110	H588 D590 K594	H588-L596 PolarHBondContact N-O 2.68Å; H588-L596 PolarHBondContact O-N 2.78Å; D590-L596 HydrophobicContact CB-CD1 3.77Å; D590-L596 HydrophobicContact CB-CG 4.27Å; K594-L596 PolarHBondContact O-N 2.82Å
597	P	26.7	Very low	28	Very low	77 Å²	77	87.2 Å²	87.2	50%	0.5	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130	174.4	28.3	-31.8	0	0	0	110.7	F587	F587-P597 HydrophobicContact CD1-CB 4.27Å; F587-P597 HydrophobicContact CE1-CB 4.12Å
598	R	29.7	Very low	28.2	Very low	93 Å²	93	86 Å²	86	35%	0.351	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.1	166.6	-81.7	-172.2	174.1	-155.7	-5	108.3	F586 D664	F586-R598 PolarHBondContact N-O 2.72Å; F586-R598 WeakPolarHBondContact O-CA 3.33Å; F586-R598 PolarHBondContact O-N 3.44Å; R598-D664 IonicContact CZ-OD1 3.79Å; R598-D664 VanDerWaalsContact CZ-OD1 3.29Å; R598-D664 IonicContact NH1-OD1 3.09Å; R598-D664 PolarHBondContact NH1-OD1 2.9Å; R598-D664 IonicContact NH2-OD1 3.82Å; R598-D664 PolarHBondContact NH2-OD1 2.98Å
599	E	29.3	Very low	28	Very low	84 Å²	84	88.8 Å²	88.8	39%	0.393	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.2	173.6	-172.2	-179.8	-163.6	0	0	109.3	L531 I585 I601	L531-E599 WeakPolarHBondContact CD1-OE1 3.42Å; L531-E599 VanDerWaalsContact CD1-OE2 3.27Å; L531-E599 WeakPolarHBondContact CD1-OE2 3.42Å; L531-E599 WeakPolarHBondContact CD2-OE1 3.09Å; L531-E599 VanDerWaalsContact CD2-OE2 3.24Å; L531-E599 WeakPolarHBondContact CD2-OE2 3.22Å; I585-E599 HydrophobicContact CG1-CG 4.38Å; E599-I601 HydrophobicContact CG-CG1 4.17Å
600	A	28.7	Very low	28.1	Very low	33 Å²	33	84 Å²	84	27%	0.273	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.7	168.5	0	0	0	0	0	109.7	A584 F586	A584-A600 PolarHBondContact O-N 2.88Å; A584-A600 VanDerWaalsContact O-N 3.17Å; F586-A600 HydrophobicContact CE2-CB 3.61Å; F586-A600 HydrophobicContact CZ-CB 4.35Å
601	I	29.2	Very low	28.2	Very low	81 Å²	81	82.8 Å²	82.8	42%	0.415	46%	0.459	S	S	.	.			trans	-100	112.9	172.9	-56.4	176.3	0	0	0	106.9	E599 F603	E599-I601 HydrophobicContact CG-CG1 4.17Å; I601-F603 HydrophobicContact CB-CE2 4.32Å; I601-F603 HydrophobicContact CG2-CE2 4.45Å; I601-F603 WeakPolarHBondContact O-CD2 3.08Å; I601-F603 PolarHBondContact O-N 3.41Å; I601-F603 VanDerWaalsContact O-N 3.12Å
602	A	28.1	Very low	28.1	Very low	63 Å²	63	82.5 Å²	82.5	52%	0.521	44%	0.436	S	S	.	.			trans	-69.4	106.1	168	0	0	0	0	0	108.3
603	F	24.9	Very low	28	Very low	183 Å²	183	76.7 Å²	76.7	80%	0.803	41%	0.414	S	S	*	.			trans	-69.8	147.7	-179.3	-85.3	-88.1	0	0	0	112.8	I601	I601-F603 HydrophobicContact CB-CE2 4.32Å; I601-F603 HydrophobicContact CG2-CE2 4.45Å; I601-F603 WeakPolarHBondContact O-CD2 3.08Å; I601-F603 PolarHBondContact O-N 3.41Å; I601-F603 VanDerWaalsContact O-N 3.12Å
604	G	23	Very low	28.3	Very low	48 Å²	48	75.1 Å²	75.1	50%	0.495	40%	0.398	S	S	.	.			trans	-68.3	169.6	-171	0	0	0	0	0	116.7
605	G	24.8	Very low	28.9	Very low	25 Å²	25	71.8 Å²	71.8	26%	0.258	38%	0.384	S	S	.	.			trans	173.5	168.4	173.9	0	0	0	0	0	110.9	W607 Q608	G605-W607 PolarHBondContact O-N 2.75Å; G605-Q608 PolarHBondContact O-N 3.47Å
606	P	24.1	Very low	29.1	Very low	87 Å²	87	72.7 Å²	72.7	57%	0.565	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-15.8	-179.9	18.4	-31	0	0	0	114.5	Q608 L609 F610	P606-Q608 PolarHBondContact O-N 3.15Å; P606-L609 WeakPolarHBondContact O-CA 3.46Å; P606-L609 WeakPolarHBondContact O-CB 3.18Å; P606-L609 PolarHBondContact O-N 2.89Å; P606-F610 HydrophobicContact CB-CE2 4.26Å; P606-F610 WeakPolarHBondContact O-CD2 3.43Å; P606-F610 PolarHBondContact O-N 3.17Å
607	W	31.7	Very low	29.2	Very low	67 Å²	67	69.9 Å²	69.9	25%	0.254	38%	0.375	S	S	.	.	H	α-helix	trans	-51.6	-31.5	170.5	-48.4	117.1	0	0	0	115	G605 L609 F610 D611 I634 F637	G605-W607 PolarHBondContact O-N 2.75Å; W607-L609 VanDerWaalsContact C-N 3.32Å; W607-L609 PolarHBondContact O-N 3.35Å; W607-F610 AromaticContact CE3-CD2 3.69Å; W607-F610 HydrophobicContact CE3-CD2 3.69Å; W607-F610 HydrophobicContact CE3-CE2 4.24Å; W607-F610 HydrophobicContact CE3-CG 4.45Å; W607-F610 HydrophobicContact CH2-CE2 4.38Å; W607-F610 AromaticContact CZ3-CD2 3.72Å; W607-F610 HydrophobicContact CZ3-CD2 3.72Å; W607-F610 AromaticContact CZ3-CE2 3.86Å; W607-F610 HydrophobicContact CZ3-CE2 3.86Å; W607-F610 PolarHBondContact O-N 2.77Å; W607-D611 PolarHBondContact O-N 2.81Å; W607-I634 HydrophobicContact CE3-CG2 4.14Å; W607-I634 HydrophobicContact CZ3-CG2 3.91Å; W607-F637 HydrophobicContact CH2-CB 3.03Å; W607-F637 AromaticContact CH2-CD1 3.86Å; W607-F637 HydrophobicContact CH2-CD1 3.86Å; W607-F637 AromaticContact CH2-CD2 3.64Å; W607-F637 HydrophobicContact CH2-CD2 3.64Å; W607-F637 AromaticContact CH2-CG 3.26Å; W607-F637 HydrophobicContact CH2-CG 3.26Å; W607-F637 HydrophobicContact CZ2-CB 3.44Å; W607-F637 VanDerWaalsContact CZ2-CB 3.44Å; W607-F637 HydrophobicContact CZ2-CD1 4.19Å; W607-F637 AromaticContact CZ2-CG 3.91Å; W607-F637 HydrophobicContact CZ2-CG 3.91Å; W607-F637 HydrophobicContact CZ3-CB 3.92Å; W607-F637 HydrophobicContact CZ3-CD2 4.24Å; W607-F637 HydrophobicContact CZ3-CG 4.22Å
608	Q	32.2	Very low	29.7	Very low	69 Å²	69	69 Å²	69	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-31.5	174.2	-73.5	170.1	-34.3	0	0	112.6	L575 G605 P606 H612	L575-Q608 HydrophobicContact CD1-CB 4.19Å; L575-Q608 HydrophobicContact CD1-CG 4.23Å; G605-Q608 PolarHBondContact O-N 3.47Å; P606-Q608 PolarHBondContact O-N 3.15Å; Q608-H612 WeakPolarHBondContact O-CB 3.45Å; Q608-H612 PolarHBondContact O-N 3.22Å
609	L	26.3	Very low	30	Very low	122 Å²	122	74.1 Å²	74.1	64%	0.639	39%	0.388	S	S	*	.	H	α-helix	trans	-69	-39.4	171.2	-154.4	88.6	0	0	0	110.3	P606 W607 H612 C613	P606-L609 WeakPolarHBondContact O-CA 3.46Å; P606-L609 WeakPolarHBondContact O-CB 3.18Å; P606-L609 PolarHBondContact O-N 2.89Å; W607-L609 VanDerWaalsContact C-N 3.32Å; W607-L609 PolarHBondContact O-N 3.35Å; L609-H612 WeakPolarHBondContact O-CB 3.33Å; L609-H612 PolarHBondContact O-N 3.24Å; L609-C613 WeakPolarHBondContact O-CB 3.25Å; L609-C613 PolarHBondContact O-N 2.73Å; L609-C613 PolarHBondContact O-SG 3.34Å
610	F	30	Very low	30.1	Very low	40 Å²	40	73.1 Å²	73.1	18%	0.175	39%	0.389	C	S	.	.	H	α-helix	trans	-70.1	-37	-179.5	-71.2	-70	0	0	0	113.5	P606 W607 H612 C613 A614 I634	P606-F610 HydrophobicContact CB-CE2 4.26Å; P606-F610 WeakPolarHBondContact O-CD2 3.43Å; P606-F610 PolarHBondContact O-N 3.17Å; W607-F610 AromaticContact CE3-CD2 3.69Å; W607-F610 HydrophobicContact CE3-CD2 3.69Å; W607-F610 HydrophobicContact CE3-CE2 4.24Å; W607-F610 HydrophobicContact CE3-CG 4.45Å; W607-F610 HydrophobicContact CH2-CE2 4.38Å; W607-F610 AromaticContact CZ3-CD2 3.72Å; W607-F610 HydrophobicContact CZ3-CD2 3.72Å; W607-F610 AromaticContact CZ3-CE2 3.86Å; W607-F610 HydrophobicContact CZ3-CE2 3.86Å; W607-F610 PolarHBondContact O-N 2.77Å; F610-H612 VanDerWaalsContact C-N 3.31Å; F610-C613 PolarHBondContact O-N 2.86Å; F610-A614 WeakPolarHBondContact O-CB 3.45Å; F610-A614 PolarHBondContact O-N 3.49Å; F610-I634 HydrophobicContact CB-CD1 3.72Å; F610-I634 HydrophobicContact CB-CG1 4.1Å; F610-I634 HydrophobicContact CD1-CD1 3.79Å; F610-I634 HydrophobicContact CD1-CG1 3.62Å; F610-I634 HydrophobicContact CE1-CG1 4.15Å; F610-I634 HydrophobicContact CG-CD1 3.97Å; F610-I634 HydrophobicContact CG-CG1 3.84Å
611	D	37.5	Very low	30.5	Very low	26 Å²	26	74.4 Å²	74.4	14%	0.139	39%	0.392	C	S	.	.	H	α-helix	trans	-67.2	-35.2	173.1	-147.7	47.9	0	0	0	111.2	W607 A614 H615 R648 F649	W607-D611 PolarHBondContact O-N 2.81Å; D611-A614 PolarHBondContact O-N 3.01Å; D611-H615 WeakPolarHBondContact O-CB 3.27Å; D611-H615 PolarHBondContact O-N 3.29Å; D611-R648 WeakPolarHBondContact OD1-CA 3.43Å; D611-R648 WeakPolarHBondContact OD1-CB 3.36Å; D611-R648 PolarHBondContact OD1-N 2.76Å; D611-F649 PolarHBondContact OD1-N 3.27Å
612	H	29.7	Very low	30.9	Very low	71 Å²	71	80 Å²	80	33%	0.329	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-41.2	171.8	-163.3	-65.2	0	0	0	112.4	R580 Q608 L609 F610 H615 Y616	R580-H612 PolarHBondContact NH1-CD2 2.8Å; R580-H612 PolarHBondContact NH1-NE2 3.34Å; Q608-H612 WeakPolarHBondContact O-CB 3.45Å; Q608-H612 PolarHBondContact O-N 3.22Å; L609-H612 WeakPolarHBondContact O-CB 3.33Å; L609-H612 PolarHBondContact O-N 3.24Å; F610-H612 VanDerWaalsContact C-N 3.31Å; H612-H615 PolarHBondContact O-N 3.27Å; H612-Y616 AromaticContact CE1-CD2 3.6Å; H612-Y616 AromaticContact CE1-CE2 3.54Å; H612-Y616 AromaticContact ND1-CD2 3.68Å; H612-Y616 PolarHBondContact O-N 2.85Å
613	C	28	Very low	31.1	Very low	54 Å²	54	83.1 Å²	83.1	37%	0.365	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-42.6	173.8	-72.2	0	0	0	0	111.3	L609 F610 H615 Y616 S617	L609-C613 WeakPolarHBondContact O-CB 3.25Å; L609-C613 PolarHBondContact O-N 2.73Å; L609-C613 PolarHBondContact O-SG 3.34Å; F610-C613 PolarHBondContact O-N 2.86Å; C613-H615 PolarHBondContact O-N 2.98Å; C613-Y616 PolarHBondContact O-N 3.04Å; C613-S617 WeakPolarHBondContact O-CB 3.23Å; C613-S617 PolarHBondContact O-N 3.38Å
614	A	32.4	Very low	31.6	Very low	6 Å²	6	84 Å²	84	5%	0.05	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-38.5	176.5	0	0	0	0	0	112.1	F610 D611 S617 T618 F649 L652	F610-A614 WeakPolarHBondContact O-CB 3.45Å; F610-A614 PolarHBondContact O-N 3.49Å; D611-A614 PolarHBondContact O-N 3.01Å; A614-S617 PolarHBondContact O-N 3.32Å; A614-S617 PolarHBondContact O-OG 2.8Å; A614-T618 PolarHBondContact O-N 3.46Å; A614-T618 PolarHBondContact O-OG1 3.4Å; A614-F649 HydrophobicContact CB-CB 4.19Å; A614-L652 HydrophobicContact CB-CD1 4.16Å
615	H	36.3	Very low	32	Very low	74 Å²	74	84.7 Å²	84.7	34%	0.343	42%	0.422	S	S	.	.	H	α-helix	trans	-69.3	-40.4	175.4	-171.7	55.6	0	0	0	113.4	D611 H612 C613 S617 T618 R619	D611-H615 WeakPolarHBondContact O-CB 3.27Å; D611-H615 PolarHBondContact O-N 3.29Å; H612-H615 PolarHBondContact O-N 3.27Å; C613-H615 PolarHBondContact O-N 2.98Å; H615-S617 VanDerWaalsContact C-N 3.27Å; H615-S617 PolarHBondContact O-N 3.49Å; H615-T618 WeakPolarHBondContact CA-OG1 3.39Å; H615-T618 PolarHBondContact O-N 3.06Å; H615-T618 PolarHBondContact O-OG1 2.96Å; H615-R619 PolarHBondContact O-N 3.02Å
616	Y	31.5	Very low	32.6	Very low	149 Å²	149	88.8 Å²	88.8	58%	0.584	45%	0.446	S	S	*	.	H	α-helix	trans	-64.6	-37.6	171.4	-107.6	-91.1	0	0	0	111.4	H612 C613 T618 R619 C620	H612-Y616 AromaticContact CE1-CD2 3.6Å; H612-Y616 AromaticContact CE1-CE2 3.54Å; H612-Y616 AromaticContact ND1-CD2 3.68Å; H612-Y616 PolarHBondContact O-N 2.85Å; C613-Y616 PolarHBondContact O-N 3.04Å; Y616-T618 VanDerWaalsContact C-N 3.29Å; Y616-T618 PolarHBondContact O-N 2.73Å; Y616-R619 PolarHBondContact O-N 2.84Å; Y616-C620 WeakPolarHBondContact O-CB 3.29Å; Y616-C620 PolarHBondContact O-N 3.41Å
617	S	30.2	Very low	33.1	Very low	16 Å²	16	85 Å²	85	11%	0.112	42%	0.422	C	S	.	.	H	α-helix	trans	-66.8	-29.1	178.8	94.5	0	0	0	0	112.8	C613 A614 H615 D621 S627	C613-S617 WeakPolarHBondContact O-CB 3.23Å; C613-S617 PolarHBondContact O-N 3.38Å; A614-S617 PolarHBondContact O-N 3.32Å; A614-S617 PolarHBondContact O-OG 2.8Å; H615-S617 VanDerWaalsContact C-N 3.27Å; H615-S617 PolarHBondContact O-N 3.49Å; S617-D621 WeakPolarHBondContact O-CA 3.24Å; S617-D621 WeakPolarHBondContact O-CB 3.41Å; S617-D621 PolarHBondContact O-N 2.8Å; S617-S627 WeakPolarHBondContact OG-CB 3.48Å; S617-S627 PolarHBondContact OG-OG 3.43Å
618	T	36.7	Very low	33.6	Very low	58 Å²	58	89.6 Å²	89.6	36%	0.356	44%	0.444	S	S	.	.	H	α-helix	trans	-77.4	-30.8	176.6	30.8	0	0	0	0	113.3	A614 H615 Y616 L652	A614-T618 PolarHBondContact O-N 3.46Å; A614-T618 PolarHBondContact O-OG1 3.4Å; H615-T618 WeakPolarHBondContact CA-OG1 3.39Å; H615-T618 PolarHBondContact O-N 3.06Å; H615-T618 PolarHBondContact O-OG1 2.96Å; Y616-T618 VanDerWaalsContact C-N 3.29Å; Y616-T618 PolarHBondContact O-N 2.73Å; T618-L652 HydrophobicContact CG2-CD1 4.49Å
619	R	35.6	Very low	33.8	Very low	201 Å²	201	89.8 Å²	89.8	76%	0.758	46%	0.457	S	S	*	.	H	α-helix	trans	-72.9	-36.7	170.1	-117.5	-176.6	-178.5	-172.5	2.1	111.6	H615 Y616	H615-R619 PolarHBondContact O-N 3.02Å; Y616-R619 PolarHBondContact O-N 2.84Å
620	C	30.6	Very low	34.3	Very low	62 Å²	62	86.4 Å²	86.4	42%	0.419	44%	0.442	S	S	.	.	H	α-helix	trans	-81.1	-30.1	177.3	-72.2	0	0	0	0	113.6	Y616 R622 L623 Y624	Y616-C620 WeakPolarHBondContact O-CB 3.29Å; Y616-C620 PolarHBondContact O-N 3.41Å; C620-R622 VanDerWaalsContact C-N 3.35Å; C620-R622 PolarHBondContact O-N 3.26Å; C620-L623 CarbonylContact O-C 3.54Å; C620-L623 WeakPolarHBondContact O-CA 3.34Å; C620-L623 PolarHBondContact O-N 3.11Å; C620-Y624 PolarHBondContact O-N 3.41Å
621	D	37.5	Very low	34.6	Very low	60 Å²	60	85.7 Å²	85.7	32%	0.321	44%	0.44	S	S	.	.	H	α-helix	trans	-72.1	-28.4	179.9	-97.3	1.6	0	0	0	113.1	S617 L623 S626 S627	S617-D621 WeakPolarHBondContact O-CA 3.24Å; S617-D621 WeakPolarHBondContact O-CB 3.41Å; S617-D621 PolarHBondContact O-N 2.8Å; D621-L623 PolarHBondContact O-N 3.02Å; D621-S626 WeakPolarHBondContact OD1-CA 3.22Å; D621-S626 PolarHBondContact OD1-N 3.32Å; D621-S627 PolarHBondContact OD1-N 2.83Å; D621-S627 WeakPolarHBondContact OD2-CB 3.33Å; D621-S627 PolarHBondContact OD2-N 3.29Å; D621-S627 PolarHBondContact OD2-OG 3.08Å
622	R	38.1	Very low	34.9	Very low	198 Å²	198	91 Å²	91	75%	0.747	46%	0.463	S	S	*	.	H	α-helix	trans	-67.2	-13.7	168.7	-73.9	-172.9	-177.8	177.3	2.6	112.7	C620	C620-R622 VanDerWaalsContact C-N 3.35Å; C620-R622 PolarHBondContact O-N 3.26Å
623	L	33.1	Very low	35.1	Very low	130 Å²	130	93 Å²	93	68%	0.681	48%	0.475	S	S	*	.	H	α-helix	trans	-118.9	-25.6	-176.1	-78.8	157.7	0	0	0	114.5	C620 D621	C620-L623 CarbonylContact O-C 3.54Å; C620-L623 WeakPolarHBondContact O-CA 3.34Å; C620-L623 PolarHBondContact O-N 3.11Å; D621-L623 PolarHBondContact O-N 3.02Å
624	Y	34.2	Very low	35.5	Very low	201 Å²	201	90.7 Å²	90.7	79%	0.788	46%	0.458	S	S	*	.	H	α-helix	trans	-148.1	3.8	-165	-69.5	-75.2	0	0	0	117.1	C620	C620-Y624 PolarHBondContact O-N 3.41Å
625	G	32.4	Very low	35.6	Very low	63 Å²	63	93.9 Å²	93.9	65%	0.649	49%	0.485	S	S	*	.			trans	72.1	29.7	154.2	0	0	0	0	0	121.8
626	S	35.7	Very low	35.4	Very low	110 Å²	110	98.4 Å²	98.4	77%	0.769	51%	0.506	S	S	*	.			trans	-164.4	96.5	161.9	73.3	0	0	0	0	114.8	D621	D621-S626 WeakPolarHBondContact OD1-CA 3.22Å; D621-S626 PolarHBondContact OD1-N 3.32Å
627	S	36	Very low	35.1	Very low	9 Å²	9	97.3 Å²	97.3	6%	0.063	50%	0.504	C	S	.	.			trans	-113.4	10.3	168.6	74.9	0	0	0	0	115.8	S617 D621 A629 P630 M631	S617-S627 WeakPolarHBondContact OG-CB 3.48Å; S617-S627 PolarHBondContact OG-OG 3.43Å; D621-S627 PolarHBondContact OD1-N 2.83Å; D621-S627 WeakPolarHBondContact OD2-CB 3.33Å; D621-S627 PolarHBondContact OD2-N 3.29Å; D621-S627 PolarHBondContact OD2-OG 3.08Å; S627-A629 VanDerWaalsContact C-N 3.28Å; S627-A629 PolarHBondContact O-N 3.47Å; S627-P630 VanDerWaalsContact O-CD 3.29Å; S627-P630 WeakPolarHBondContact O-CD 3.26Å; S627-M631 VanDerWaalsContact OG-CE 3.31Å; S627-M631 WeakPolarHBondContact OG-CE 3.23Å
628	K	40.7	Very low	35	Very low	163 Å²	163	98.7 Å²	98.7	71%	0.709	52%	0.521	S	S	*	.	H	α-helix	trans	-61.4	-33.3	-179.1	-93.4	-173	171.7	-174.1	0	114	M631 E632	K628-M631 PolarHBondContact O-N 3.11Å; K628-E632 PolarHBondContact O-N 2.97Å
629	A	36.9	Very low	34.8	Very low	72 Å²	72	96.3 Å²	96.3	60%	0.595	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-42.9	-169.7	0	0	0	0	0	115	S627 M631	S627-A629 VanDerWaalsContact C-N 3.28Å; S627-A629 PolarHBondContact O-N 3.47Å; A629-M631 VanDerWaalsContact C-N 3.31Å; A629-M631 PolarHBondContact O-N 2.9Å
630	P	36.5	Very low	34.5	Very low	51 Å²	51	92.2 Å²	92.2	33%	0.331	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-29.1	176	-25.1	35	0	0	0	114.3	S627 I634	S627-P630 VanDerWaalsContact O-CD 3.29Å; S627-P630 WeakPolarHBondContact O-CD 3.26Å; P630-I634 WeakPolarHBondContact O-CD1 3.46Å; P630-I634 WeakPolarHBondContact O-CG1 3.34Å
631	M	37.2	Very low	34.6	Very low	26 Å²	26	89.7 Å²	89.7	13%	0.128	48%	0.481	C	S	.	.	H	α-helix	trans	-77.1	-37.6	-176.1	-65.7	-172.8	-128.6	0	0	113.4	S627 K628 A629 M633 I634 A635 L652	S627-M631 VanDerWaalsContact OG-CE 3.31Å; S627-M631 WeakPolarHBondContact OG-CE 3.23Å; K628-M631 PolarHBondContact O-N 3.11Å; A629-M631 VanDerWaalsContact C-N 3.31Å; A629-M631 PolarHBondContact O-N 2.9Å; M631-M633 PolarHBondContact O-N 2.89Å; M631-I634 PolarHBondContact O-N 3.13Å; M631-A635 PolarHBondContact O-N 2.72Å; M631-L652 HydrophobicContact CE-CB 4.09Å; M631-L652 HydrophobicContact CE-CD1 3.68Å; M631-L652 HydrophobicContact CE-CD2 3.98Å; M631-L652 HydrophobicContact CE-CG 4.12Å; M631-L652 HydrophobicContact SD-CB 3.31Å; M631-L652 WeakPolarHBondContact SD-CB 3.42Å; M631-L652 HydrophobicContact SD-CD1 3.81Å; M631-L652 HydrophobicContact SD-CD2 4.3Å; M631-L652 HydrophobicContact SD-CG 3.98Å
632	E	42.7	Very low	34.3	Very low	136 Å²	136	89 Å²	89	64%	0.636	48%	0.476	S	S	*	.	H	α-helix	trans	-63.7	-31.3	174.6	-73.3	177.4	175.6	0	0	111.9	K628	K628-E632 PolarHBondContact O-N 2.97Å
633	M	35.1	Very low	33.7	Very low	114 Å²	114	82.9 Å²	82.9	56%	0.562	46%	0.462	S	S	*	.	H	α-helix	trans	-65.8	-36.6	172.9	-83.3	-175.6	75.3	0	0	113	M631 F637	M631-M633 PolarHBondContact O-N 2.89Å; M633-F637 WeakPolarHBondContact O-CD2 3.33Å; M633-F637 WeakPolarHBondContact O-CE2 3.27Å
634	I	36.3	Very low	33.5	Very low	5 Å²	5	78.2 Å²	78.2	3%	0.026	44%	0.437	C	S	.	.	H	α-helix	trans	-72.9	-32.8	-174.8	-60.9	160.2	0	0	0	111.5	W607 F610 P630 M631 H636 F637 F649	W607-I634 HydrophobicContact CE3-CG2 4.14Å; W607-I634 HydrophobicContact CZ3-CG2 3.91Å; F610-I634 HydrophobicContact CB-CD1 3.72Å; F610-I634 HydrophobicContact CB-CG1 4.1Å; F610-I634 HydrophobicContact CD1-CD1 3.79Å; F610-I634 HydrophobicContact CD1-CG1 3.62Å; F610-I634 HydrophobicContact CE1-CG1 4.15Å; F610-I634 HydrophobicContact CG-CD1 3.97Å; F610-I634 HydrophobicContact CG-CG1 3.84Å; P630-I634 WeakPolarHBondContact O-CD1 3.46Å; P630-I634 WeakPolarHBondContact O-CG1 3.34Å; M631-I634 PolarHBondContact O-N 3.13Å; I634-H636 PolarHBondContact O-N 2.77Å; I634-F637 PolarHBondContact O-N 2.79Å; I634-F637 VanDerWaalsContact O-N 3.14Å; I634-F649 HydrophobicContact CG2-CD2 4.16Å; I634-F649 HydrophobicContact CG2-CE2 3.88Å; I634-F649 HydrophobicContact CG2-CZ 4.24Å
635	A	35.2	Very low	33.4	Very low	73 Å²	73	70.8 Å²	70.8	60%	0.603	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.7	-176.6	0	0	0	0	0	114	M631	M631-A635 PolarHBondContact O-N 2.72Å
636	H	30.7	Very low	33.5	Very low	169 Å²	169	69 Å²	69	78%	0.782	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.5	-178.5	-67.7	-20.1	0	0	0	115.2	I634	I634-H636 PolarHBondContact O-N 2.77Å
637	F	26.2	Very low	33.5	Very low	127 Å²	127	65.4 Å²	65.4	56%	0.557	37%	0.365	S	S	*	.	S	Bend	trans	-97.3	-8.5	-167.4	-73.8	-86.1	0	0	0	115.9	W607 M633 I634	W607-F637 HydrophobicContact CH2-CB 3.03Å; W607-F637 AromaticContact CH2-CD1 3.86Å; W607-F637 HydrophobicContact CH2-CD1 3.86Å; W607-F637 AromaticContact CH2-CD2 3.64Å; W607-F637 HydrophobicContact CH2-CD2 3.64Å; W607-F637 AromaticContact CH2-CG 3.26Å; W607-F637 HydrophobicContact CH2-CG 3.26Å; W607-F637 HydrophobicContact CZ2-CB 3.44Å; W607-F637 VanDerWaalsContact CZ2-CB 3.44Å; W607-F637 HydrophobicContact CZ2-CD1 4.19Å; W607-F637 AromaticContact CZ2-CG 3.91Å; W607-F637 HydrophobicContact CZ2-CG 3.91Å; W607-F637 HydrophobicContact CZ3-CB 3.92Å; W607-F637 HydrophobicContact CZ3-CD2 4.24Å; W607-F637 HydrophobicContact CZ3-CG 4.22Å; M633-F637 WeakPolarHBondContact O-CD2 3.33Å; M633-F637 WeakPolarHBondContact O-CE2 3.27Å; I634-F637 PolarHBondContact O-N 2.79Å; I634-F637 VanDerWaalsContact O-N 3.14Å
638	G	27.4	Very low	33.6	Very low	44 Å²	44	68.8 Å²	68.8	45%	0.454	38%	0.377	S	S	.	.			trans	64.8	136.8	-171.2	0	0	0	0	0	111.1
639	V	31.8	Very low	33.6	Very low	9 Å²	9	61.1 Å²	61.1	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.9	-175.3	-172.8	0	0	0	0	109	V641 P647 F649 V656 S657 S658 S659	V639-V641 HydrophobicContact CB-CG2 3.95Å; V639-V641 HydrophobicContact CG1-CG2 3.4Å; V639-P647 HydrophobicContact CG1-CG 4.49Å; V639-F649 HydrophobicContact CB-CZ 4.36Å; V639-F649 HydrophobicContact CG1-CE2 4.49Å; V639-F649 HydrophobicContact CG1-CZ 3.68Å; V639-F649 HydrophobicContact CG2-CE2 3.93Å; V639-F649 HydrophobicContact CG2-CZ 3.72Å; V639-V656 HydrophobicContact CB-CG1 3.73Å; V639-V656 HydrophobicContact CG2-CG1 3.4Å; V639-V656 VanDerWaalsContact CG2-CG1 3.4Å; V639-S657 PolarHBondContact N-O 3.46Å; V639-S658 WeakPolarHBondContact O-CA 3.32Å; V639-S658 VanDerWaalsContact O-CB 3.3Å; V639-S658 WeakPolarHBondContact O-CB 3.33Å; V639-S658 PolarHBondContact O-OG 3.03Å; V639-S659 PolarHBondContact O-N 3.19Å; V639-S659 VanDerWaalsContact O-N 3.14Å
640	L	29.2	Very low	33.8	Very low	115 Å²	115	57.9 Å²	57.9	60%	0.602	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	110	165.8	-147.4	103.9	0	0	0	107.3	S659 L661	L640-S659 WeakPolarHBondContact CA-O 3.23Å; L640-S659 WeakPolarHBondContact CG-O 3.14Å; L640-L661 HydrophobicContact CD1-CD1 3.87Å; L640-L661 HydrophobicContact CD1-CG 4.43Å; L640-L661 HydrophobicContact CD2-CD1 4.06Å
641	V	32.9	Very low	34.1	Very low	8 Å²	8	59.6 Å²	59.6	5%	0.048	32%	0.32	C	S	.	.			trans	-111.3	128.1	-173.4	-173.9	0	0	0	0	110.5	V639 P646 S658 I684	V639-V641 HydrophobicContact CB-CG2 3.95Å; V639-V641 HydrophobicContact CG1-CG2 3.4Å; V641-P646 HydrophobicContact CG1-CB 4.09Å; V641-S658 VanDerWaalsContact CB-OG 3.26Å; V641-S658 WeakPolarHBondContact CB-OG 3.41Å; V641-S658 WeakPolarHBondContact CG2-OG 3.38Å; V641-S658 PolarHBondContact N-OG 2.94Å; V641-S658 VanDerWaalsContact N-OG 3.07Å; V641-I684 HydrophobicContact CB-CD1 3.73Å; V641-I684 HydrophobicContact CG1-CD1 3.5Å; V641-I684 VanDerWaalsContact CG1-CD1 3.5Å; V641-I684 HydrophobicContact CG2-CD1 3.84Å
642	H	31.3	Very low	34.2	Very low	46 Å²	46	62.1 Å²	62.1	21%	0.213	33%	0.333	C	S	.	.			trans	-67.5	127.6	169.1	-174.8	-92.6	0	0	0	109.3	F586 I644 C645	F586-H642 AromaticContact CZ-CE1 3.8Å; F586-H642 AromaticContact CZ-NE2 3.65Å; H642-I644 PolarHBondContact ND1-N 3.12Å; H642-I644 PolarHBondContact O-N 3.02Å; H642-C645 PolarHBondContact O-N 2.97Å; H642-C645 VanDerWaalsContact O-N 3.14Å
643	P	27.1	Very low	34.1	Very low	70 Å²	70	56.6 Å²	56.6	46%	0.455	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.3	-168.4	21.8	-31.6	0	0	0	114.5	W662	P643-W662 HydrophobicContact CG-CH2 4.15Å
644	I	27.3	Very low	34.2	Very low	31 Å²	31	55.6 Å²	55.6	16%	0.159	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-5.9	-174	-33.5	179.1	0	0	0	112.8	A454 M458 F586 H642	A454-I644 HydrophobicContact CB-CB 4.49Å; A454-I644 HydrophobicContact CB-CD1 3.28Å; A454-I644 HydrophobicContact CB-CG1 3.67Å; A454-I644 HydrophobicContact CB-CG2 4.01Å; M458-I644 HydrophobicContact CG-CB 4.4Å; M458-I644 HydrophobicContact CG-CG2 3.98Å; F586-I644 HydrophobicContact CD1-CD1 4.36Å; F586-I644 HydrophobicContact CE1-CD1 3.38Å; F586-I644 HydrophobicContact CZ-CD1 3.57Å; H642-I644 PolarHBondContact ND1-N 3.12Å; H642-I644 PolarHBondContact O-N 3.02Å
645	C	33	Very low	34.3	Very low	46 Å²	46	59.2 Å²	59.2	31%	0.311	34%	0.339	S	S	.	.			trans	-155.3	85	-179.7	-95.1	0	0	0	0	110.5	P582 H642	P582-C645 HydrophobicContact CB-CB 4.15Å; P582-C645 HydrophobicContact CG-CB 3.4Å; P582-C645 VanDerWaalsContact CG-CB 3.4Å; P582-C645 WeakPolarHBondContact CG-SG 3.38Å; H642-C645 PolarHBondContact O-N 2.97Å; H642-C645 VanDerWaalsContact O-N 3.14Å
646	P	33.5	Very low	34.4	Very low	25 Å²	25	56.4 Å²	56.4	16%	0.162	32%	0.315	C	S	.	.			trans	-64	138.8	173.8	26.1	-32.1	0	0	0	110.4	M458 V641 V650	M458-P646 VanDerWaalsContact CE-CD 3.41Å; M458-P646 HydrophobicContact CE-CG 3.9Å; V641-P646 HydrophobicContact CG1-CB 4.09Å; P646-V650 HydrophobicContact CB-CB 4.14Å; P646-V650 HydrophobicContact CB-CG1 4.27Å; P646-V650 HydrophobicContact CB-CG2 4.34Å
647	P	36.4	Very low	34.7	Very low	34 Å²	34	52.9 Å²	52.9	22%	0.221	31%	0.309	C	S	.	.			trans	-51.8	148	174	-24.2	28.4	0	0	0	112.2	V639 F649 V650	V639-P647 HydrophobicContact CG1-CG 4.49Å; P647-F649 HydrophobicContact CB-CD1 3.37Å; P647-F649 HydrophobicContact CB-CE1 3.17Å; P647-F649 HydrophobicContact CB-CG 4.26Å; P647-F649 HydrophobicContact CB-CZ 3.91Å; P647-F649 HydrophobicContact CG-CD1 4.29Å; P647-F649 HydrophobicContact CG-CE1 3.59Å; P647-F649 HydrophobicContact CG-CZ 3.96Å; P647-F649 PolarHBondContact O-N 3.36Å; P647-V650 HydrophobicContact CB-CG2 4.07Å; P647-V650 HydrophobicContact CG-CG2 4.12Å; P647-V650 VanDerWaalsContact O-CB 3.23Å; P647-V650 WeakPolarHBondContact O-CB 3.39Å; P647-V650 WeakPolarHBondContact O-CG2 3.37Å; P647-V650 PolarHBondContact O-N 2.91Å
648	R	39.1	Very low	35.1	Very low	80 Å²	80	47 Å²	47	30%	0.302	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.5	-28.3	-177.1	-65.1	-179.1	-173.5	-176.5	1.1	112.2	N579 D611 V650 Q651	N579-R648 PolarHBondContact O-NH2 3.28Å; D611-R648 WeakPolarHBondContact OD1-CA 3.43Å; D611-R648 WeakPolarHBondContact OD1-CB 3.36Å; D611-R648 PolarHBondContact OD1-N 2.76Å; R648-V650 PolarHBondContact O-N 3.03Å; R648-Q651 WeakPolarHBondContact O-CB 3.33Å; R648-Q651 WeakPolarHBondContact O-CG 3.46Å; R648-Q651 PolarHBondContact O-N 2.96Å
649	F	40.6	Very low	35.1	Very low	2 Å²	2	47.3 Å²	47.3	1%	0.009	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.4	-24.8	172.6	75.3	-101.4	0	0	0	113.7	D611 A614 I634 V639 P647 Q651 L652 C653 V656	D611-F649 PolarHBondContact OD1-N 3.27Å; A614-F649 HydrophobicContact CB-CB 4.19Å; I634-F649 HydrophobicContact CG2-CD2 4.16Å; I634-F649 HydrophobicContact CG2-CE2 3.88Å; I634-F649 HydrophobicContact CG2-CZ 4.24Å; V639-F649 HydrophobicContact CB-CZ 4.36Å; V639-F649 HydrophobicContact CG1-CE2 4.49Å; V639-F649 HydrophobicContact CG1-CZ 3.68Å; V639-F649 HydrophobicContact CG2-CE2 3.93Å; V639-F649 HydrophobicContact CG2-CZ 3.72Å; P647-F649 HydrophobicContact CB-CD1 3.37Å; P647-F649 HydrophobicContact CB-CE1 3.17Å; P647-F649 HydrophobicContact CB-CG 4.26Å; P647-F649 HydrophobicContact CB-CZ 3.91Å; P647-F649 HydrophobicContact CG-CD1 4.29Å; P647-F649 HydrophobicContact CG-CE1 3.59Å; P647-F649 HydrophobicContact CG-CZ 3.96Å; P647-F649 PolarHBondContact O-N 3.36Å; F649-Q651 PolarHBondContact O-N 3.45Å; F649-L652 PolarHBondContact O-N 2.82Å; F649-C653 PolarHBondContact O-N 3.46Å; F649-C653 VanDerWaalsContact O-N 3.16Å; F649-V656 HydrophobicContact CE2-CG2 4.45Å
650	V	40.2	Very low	35.1	Very low	4 Å²	4	47 Å²	47	2%	0.024	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.9	-19.9	174.1	-170.5	0	0	0	0	110.7	P646 P647 R648 L652 V656 I684 V686	P646-V650 HydrophobicContact CB-CB 4.14Å; P646-V650 HydrophobicContact CB-CG1 4.27Å; P646-V650 HydrophobicContact CB-CG2 4.34Å; P647-V650 HydrophobicContact CB-CG2 4.07Å; P647-V650 HydrophobicContact CG-CG2 4.12Å; P647-V650 VanDerWaalsContact O-CB 3.23Å; P647-V650 WeakPolarHBondContact O-CB 3.39Å; P647-V650 WeakPolarHBondContact O-CG2 3.37Å; P647-V650 PolarHBondContact O-N 2.91Å; R648-V650 PolarHBondContact O-N 3.03Å; V650-L652 PolarHBondContact O-N 3.27Å; V650-V656 HydrophobicContact CG1-CG2 4.14Å; V650-V656 HydrophobicContact CG2-CG2 4.33Å; V650-I684 HydrophobicContact CG1-CB 4.33Å; V650-I684 HydrophobicContact CG1-CG2 3.75Å; V650-V686 WeakPolarHBondContact O-CG2 3.42Å
651	Q	42.7	Very low	35.1	Very low	88 Å²	88	46 Å²	46	41%	0.411	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-70	-19.9	170.3	-56.6	176.4	-12.7	0	0	112.6	V465 R648 F649	V465-Q651 HydrophobicContact CG1-CG 4.35Å; R648-Q651 WeakPolarHBondContact O-CB 3.33Å; R648-Q651 WeakPolarHBondContact O-CG 3.46Å; R648-Q651 PolarHBondContact O-N 2.96Å; F649-Q651 PolarHBondContact O-N 3.45Å
652	L	38.8	Very low	35	Very low	78 Å²	78	50.6 Å²	50.6	41%	0.408	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-23.6	-179.7	-67.9	153.8	0	0	0	113.1	A614 T618 M631 F649 V650	A614-L652 HydrophobicContact CB-CD1 4.16Å; T618-L652 HydrophobicContact CG2-CD1 4.49Å; M631-L652 HydrophobicContact CE-CB 4.09Å; M631-L652 HydrophobicContact CE-CD1 3.68Å; M631-L652 HydrophobicContact CE-CD2 3.98Å; M631-L652 HydrophobicContact CE-CG 4.12Å; M631-L652 HydrophobicContact SD-CB 3.31Å; M631-L652 WeakPolarHBondContact SD-CB 3.42Å; M631-L652 HydrophobicContact SD-CD1 3.81Å; M631-L652 HydrophobicContact SD-CD2 4.3Å; M631-L652 HydrophobicContact SD-CG 3.98Å; F649-L652 PolarHBondContact O-N 2.82Å; V650-L652 PolarHBondContact O-N 3.27Å
653	C	41.3	Very low	35	Very low	20 Å²	20	53.4 Å²	53.4	14%	0.135	30%	0.304	C	S	.	.			trans	-93.3	120.3	177	-64.7	0	0	0	0	110.9	F649 S655 V656 V686	F649-C653 PolarHBondContact O-N 3.46Å; F649-C653 VanDerWaalsContact O-N 3.16Å; C653-S655 PolarHBondContact O-N 3.3Å; C653-V656 HydrophobicContact CB-CG2 3.65Å; C653-V686 VanDerWaalsContact O-CG2 3.31Å; C653-V686 WeakPolarHBondContact O-CG2 3.35Å
654	S	36.4	Very low	35.1	Very low	94 Å²	94	52.3 Å²	52.3	66%	0.657	30%	0.295	S	S	*	.	S	Bend	trans	-62.9	-21.5	-179.9	36.7	0	0	0	0	114.4	A685 V686	S654-A685 WeakPolarHBondContact O-CA 2.73Å; S654-V686 PolarHBondContact O-N 3.19Å
655	S	38.6	Very low	35.2	Very low	80 Å²	80	54.3 Å²	54.3	56%	0.559	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.7	132.6	169.2	59.1	0	0	0	0	111.2	C653 I684	C653-S655 PolarHBondContact O-N 3.3Å; S655-I684 WeakPolarHBondContact CA-O 3.29Å
656	V	38.2	Very low	34.9	Very low	14 Å²	14	55.2 Å²	55.2	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.6	170	-177.7	0	0	0	0	108.3	V639 F649 V650 C653 S658 I684	V639-V656 HydrophobicContact CB-CG1 3.73Å; V639-V656 HydrophobicContact CG2-CG1 3.4Å; V639-V656 VanDerWaalsContact CG2-CG1 3.4Å; F649-V656 HydrophobicContact CE2-CG2 4.45Å; V650-V656 HydrophobicContact CG1-CG2 4.14Å; V650-V656 HydrophobicContact CG2-CG2 4.33Å; C653-V656 HydrophobicContact CB-CG2 3.65Å; V656-S658 PolarHBondContact O-N 2.77Å; V656-I684 PolarHBondContact N-O 3.39Å; V656-I684 PolarHBondContact O-N 3.09Å; V656-I684 VanDerWaalsContact O-N 3.16Å
657	S	36.2	Very low	34.7	Very low	96 Å²	96	58.6 Å²	58.6	67%	0.671	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.9	167.7	-60	0	0	0	0	108.4	V639	V639-S657 PolarHBondContact N-O 3.46Å
658	S	35.4	Very low	34.4	Very low	2 Å²	2	59 Å²	59	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.6	-178.7	-179.8	0	0	0	0	111.6	V639 V641 V656 V682	V639-S658 WeakPolarHBondContact O-CA 3.32Å; V639-S658 VanDerWaalsContact O-CB 3.3Å; V639-S658 WeakPolarHBondContact O-CB 3.33Å; V639-S658 PolarHBondContact O-OG 3.03Å; V641-S658 VanDerWaalsContact CB-OG 3.26Å; V641-S658 WeakPolarHBondContact CB-OG 3.41Å; V641-S658 WeakPolarHBondContact CG2-OG 3.38Å; V641-S658 PolarHBondContact N-OG 2.94Å; V641-S658 VanDerWaalsContact N-OG 3.07Å; V656-S658 PolarHBondContact O-N 2.77Å; S658-V682 CarbonylContact C-O 3.56Å; S658-V682 VanDerWaalsContact CA-O 3.3Å; S658-V682 WeakPolarHBondContact CA-O 3.48Å; S658-V682 VanDerWaalsContact CB-O 3.29Å; S658-V682 WeakPolarHBondContact CB-O 3.34Å; S658-V682 PolarHBondContact N-O 2.83Å; S658-V682 CarbonylContact O-C 3.6Å; S658-V682 PolarHBondContact O-N 3.35Å
659	S	27.8	Very low	34.2	Very low	52 Å²	52	65.6 Å²	65.6	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.3	162.7	-51.2	0	0	0	0	108.4	V639 L640 D680	V639-S659 PolarHBondContact O-N 3.19Å; V639-S659 VanDerWaalsContact O-N 3.14Å; L640-S659 WeakPolarHBondContact CA-O 3.23Å; L640-S659 WeakPolarHBondContact CG-O 3.14Å; S659-D680 CarbonylContact C-O 3.46Å; S659-D680 WeakPolarHBondContact CA-O 3.39Å
660	A	31.7	Very low	34.2	Very low	3 Å²	3	68.9 Å²	68.9	3%	0.025	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.5	172.5	0	0	0	0	0	108.4	S679 D680 V682	A660-S679 CarbonylContact O-C 3.44Å; A660-S679 VanDerWaalsContact O-CA 3.26Å; A660-S679 WeakPolarHBondContact O-CA 3.49Å; A660-D680 PolarHBondContact N-O 3.01Å; A660-D680 PolarHBondContact O-N 3Å; A660-V682 HydrophobicContact CB-CG2 3.57Å
661	L	28.8	Very low	33.7	Very low	93 Å²	93	71.5 Å²	71.5	49%	0.487	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.9	170.6	-84	157.6	0	0	0	108.8	L640 V677 T678	L640-L661 HydrophobicContact CD1-CD1 3.87Å; L640-L661 HydrophobicContact CD1-CG 4.43Å; L640-L661 HydrophobicContact CD2-CD1 4.06Å; L661-V677 HydrophobicContact CD2-CG1 3.5Å; L661-V677 VanDerWaalsContact CD2-CG1 3.5Å; L661-T678 CarbonylContact C-O 3.55Å; L661-T678 WeakPolarHBondContact CA-O 3.41Å
662	W	31.4	Very low	33.2	Very low	104 Å²	104	73.1 Å²	73.1	39%	0.394	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.6	171.4	-54.8	102.1	0	0	0	108.4	P643 V677 T678 D680	P643-W662 HydrophobicContact CG-CH2 4.15Å; W662-V677 CarbonylContact O-C 3.57Å; W662-V677 WeakPolarHBondContact O-CA 3.15Å; W662-T678 VanDerWaalsContact CB-OG1 3.3Å; W662-T678 WeakPolarHBondContact CB-OG1 3.41Å; W662-T678 PolarHBondContact N-O 3.4Å; W662-T678 PolarHBondContact O-N 3.26Å; W662-D680 PolarHBondContact NE1-OD2 3.33Å
663	I	29.8	Very low	32.8	Very low	105 Å²	105	73.6 Å²	73.6	54%	0.538	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107.2	175.9	-55.4	179	0	0	0	106.8	T675 E676 V677	I663-T675 HydrophobicContact CG2-CG2 3.3Å; I663-E676 CarbonylContact C-O 3.54Å; I663-E676 WeakPolarHBondContact CA-O 3.27Å; I663-V677 HydrophobicContact CG1-CG1 4.41Å; I663-V677 HydrophobicContact CG1-CG2 4.22Å; I663-V677 HydrophobicContact CG2-CG2 4.34Å
664	D	30.3	Very low	32.2	Very low	47 Å²	47	79.2 Å²	79.2	25%	0.251	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.4	175.5	-79.5	-46.4	0	0	0	109.8	R598 V666 T675 E676	R598-D664 IonicContact CZ-OD1 3.79Å; R598-D664 VanDerWaalsContact CZ-OD1 3.29Å; R598-D664 IonicContact NH1-OD1 3.09Å; R598-D664 PolarHBondContact NH1-OD1 2.9Å; R598-D664 IonicContact NH2-OD1 3.82Å; R598-D664 PolarHBondContact NH2-OD1 2.98Å; D664-V666 HydrophobicContact CB-CG2 4.32Å; D664-T675 CarbonylContact O-C 3.55Å; D664-T675 VanDerWaalsContact O-CA 3.27Å; D664-T675 WeakPolarHBondContact O-CA 3.41Å; D664-E676 HydrophobicContact CB-CB 4.24Å; D664-E676 PolarHBondContact N-O 3.36Å; D664-E676 PolarHBondContact O-N 2.71Å
665	T	28.6	Very low	31.8	Very low	73 Å²	73	79.1 Å²	79.1	45%	0.448	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	106.1	164.8	-48.4	0	0	0	0	107.4	C673 Q674	T665-C673 HydrophobicContact CG2-CB 3.85Å; T665-Q674 CarbonylContact C-O 3.5Å; T665-Q674 VanDerWaalsContact CA-O 3.29Å; T665-Q674 WeakPolarHBondContact CA-O 3.35Å
666	V	27.9	Very low	31.5	Very low	66 Å²	66	80.4 Å²	80.4	40%	0.4	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.5	-179.8	-160.3	0	0	0	0	107.7	D664 S668 Q674 E676	D664-V666 HydrophobicContact CB-CG2 4.32Å; V666-S668 PolarHBondContact O-N 2.93Å; V666-Q674 PolarHBondContact N-O 3.36Å; V666-Q674 PolarHBondContact O-N 3.11Å; V666-E676 HydrophobicContact CG2-CB 4.08Å
667	V	28.3	Very low	31.2	Very low	96 Å²	96	83.7 Å²	83.7	58%	0.582	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	112.9	169.9	-174.7	0	0	0	0	106.5
668	S	30.8	Very low	31.1	Very low	43 Å²	43	81.6 Å²	81.6	30%	0.301	47%	0.473	S	S	.	.			trans	-67.9	151.7	172.2	68.6	0	0	0	0	109.9	V666 G670 G671 D672	V666-S668 PolarHBondContact O-N 2.93Å; S668-G670 PolarHBondContact O-N 3.1Å; S668-G671 PolarHBondContact O-N 3.25Å; S668-D672 WeakPolarHBondContact CB-O 3.22Å; S668-D672 PolarHBondContact N-O 3.11Å; S668-D672 PolarHBondContact OG-N 3.21Å; S668-D672 PolarHBondContact OG-O 3.34Å
669	E	33.6	Very low	31	Very low	217 Å²	217	85.2 Å²	85.2	100%	1.014	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.3	176.9	-71.6	-176.7	154.6	0	0	113.7
670	G	40.7	Very low	31.2	Very low	71 Å²	71	86 Å²	86	73%	0.732	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	2.1	174.8	0	0	0	0	0	116.2	S668	S668-G670 PolarHBondContact O-N 3.1Å
671	G	30.5	Very low	31.2	Very low	59 Å²	59	91.3 Å²	91.3	61%	0.608	54%	0.535	S	S	*	.	S	Bend	trans	86.2	-2.8	179.2	0	0	0	0	0	115.6	S668	S668-G671 PolarHBondContact O-N 3.25Å
672	D	31.2	Very low	31.5	Very low	123 Å²	123	88.6 Å²	88.6	66%	0.658	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-84.3	128.6	171.5	-76.5	-28.2	0	0	0	110.6	S668	S668-D672 WeakPolarHBondContact CB-O 3.22Å; S668-D672 PolarHBondContact N-O 3.11Å; S668-D672 PolarHBondContact OG-N 3.21Å; S668-D672 PolarHBondContact OG-O 3.34Å
673	C	30.2	Very low	31.6	Very low	87 Å²	87	88 Å²	88	59%	0.588	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.7	173.1	-67.3	0	0	0	0	110.3	T665	T665-C673 HydrophobicContact CG2-CB 3.85Å
674	Q	28.7	Very low	31.9	Very low	138 Å²	138	84.9 Å²	84.9	65%	0.645	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.1	167.1	-74.4	-172.8	-13.5	0	0	110.4	T665 V666	T665-Q674 CarbonylContact C-O 3.5Å; T665-Q674 VanDerWaalsContact CA-O 3.29Å; T665-Q674 WeakPolarHBondContact CA-O 3.35Å; V666-Q674 PolarHBondContact N-O 3.36Å; V666-Q674 PolarHBondContact O-N 3.11Å
675	T	29.7	Very low	32	Very low	92 Å²	92	85.8 Å²	85.8	56%	0.564	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	112.3	171.9	-49.7	0	0	0	0	109.2	I663 D664	I663-T675 HydrophobicContact CG2-CG2 3.3Å; D664-T675 CarbonylContact O-C 3.55Å; D664-T675 VanDerWaalsContact O-CA 3.27Å; D664-T675 WeakPolarHBondContact O-CA 3.41Å
676	E	31.4	Very low	32.3	Very low	107 Å²	107	84.6 Å²	84.6	50%	0.5	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.1	170.1	-170.8	173.4	-169.9	0	0	109.4	I663 D664 V666 T678	I663-E676 CarbonylContact C-O 3.54Å; I663-E676 WeakPolarHBondContact CA-O 3.27Å; D664-E676 HydrophobicContact CB-CB 4.24Å; D664-E676 PolarHBondContact N-O 3.36Å; D664-E676 PolarHBondContact O-N 2.71Å; V666-E676 HydrophobicContact CG2-CB 4.08Å; E676-T678 HydrophobicContact CG-CG2 4.39Å
677	V	32	Very low	32.3	Very low	84 Å²	84	92 Å²	92	51%	0.509	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.6	177.1	-178.9	0	0	0	0	108	L661 W662 I663	L661-V677 HydrophobicContact CD2-CG1 3.5Å; L661-V677 VanDerWaalsContact CD2-CG1 3.5Å; W662-V677 CarbonylContact O-C 3.57Å; W662-V677 WeakPolarHBondContact O-CA 3.15Å; I663-V677 HydrophobicContact CG1-CG1 4.41Å; I663-V677 HydrophobicContact CG1-CG2 4.22Å; I663-V677 HydrophobicContact CG2-CG2 4.34Å
678	T	35.1	Very low	32.3	Very low	51 Å²	51	92.5 Å²	92.5	31%	0.313	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	150.3	176	51.7	0	0	0	0	110.6	L661 W662 E676	L661-T678 CarbonylContact C-O 3.55Å; L661-T678 WeakPolarHBondContact CA-O 3.41Å; W662-T678 VanDerWaalsContact CB-OG1 3.3Å; W662-T678 WeakPolarHBondContact CB-OG1 3.41Å; W662-T678 PolarHBondContact N-O 3.4Å; W662-T678 PolarHBondContact O-N 3.26Å; E676-T678 HydrophobicContact CG-CG2 4.39Å
679	S	31.7	Very low	32.1	Very low	79 Å²	79	99.6 Å²	99.6	55%	0.552	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.7	120.5	-177.9	153.3	0	0	0	0	109.5	A660	A660-S679 CarbonylContact O-C 3.44Å; A660-S679 VanDerWaalsContact O-CA 3.26Å; A660-S679 WeakPolarHBondContact O-CA 3.49Å
680	D	33.1	Very low	31.7	Very low	68 Å²	68	96.1 Å²	96.1	36%	0.364	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	144.1	173.9	-76.6	-36.3	0	0	0	111.3	S659 A660 W662	S659-D680 CarbonylContact C-O 3.46Å; S659-D680 WeakPolarHBondContact CA-O 3.39Å; A660-D680 PolarHBondContact N-O 3.01Å; A660-D680 PolarHBondContact O-N 3Å; W662-D680 PolarHBondContact NE1-OD2 3.33Å
681	C	31.5	Very low	31	Very low	115 Å²	115	98.7 Å²	98.7	78%	0.777	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.7	126.4	172.7	-155.5	0	0	0	0	109.4
682	V	34.1	Very low	30.7	Very low	35 Å²	35	99.1 Å²	99.1	21%	0.212	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	119.3	-177.5	-167.9	0	0	0	0	109.4	S658 A660 I684	S658-V682 CarbonylContact C-O 3.56Å; S658-V682 VanDerWaalsContact CA-O 3.3Å; S658-V682 WeakPolarHBondContact CA-O 3.48Å; S658-V682 VanDerWaalsContact CB-O 3.29Å; S658-V682 WeakPolarHBondContact CB-O 3.34Å; S658-V682 PolarHBondContact N-O 2.83Å; S658-V682 CarbonylContact O-C 3.6Å; S658-V682 PolarHBondContact O-N 3.35Å; A660-V682 HydrophobicContact CB-CG2 3.57Å; V682-I684 HydrophobicContact CG1-CG1 4.12Å
683	S	34.1	Very low	30.4	Very low	91 Å²	91	99.6 Å²	99.6	64%	0.636	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.6	117.1	170.3	-177.2	0	0	0	0	109.3
684	I	37.1	Very low	30.1	Very low	40 Å²	40	101 Å²	101	21%	0.205	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	110.6	176.7	-52.8	178.1	0	0	0	107.9	V641 V650 S655 V656 V682	V641-I684 HydrophobicContact CB-CD1 3.73Å; V641-I684 HydrophobicContact CG1-CD1 3.5Å; V641-I684 VanDerWaalsContact CG1-CD1 3.5Å; V641-I684 HydrophobicContact CG2-CD1 3.84Å; V650-I684 HydrophobicContact CG1-CB 4.33Å; V650-I684 HydrophobicContact CG1-CG2 3.75Å; S655-I684 WeakPolarHBondContact CA-O 3.29Å; V656-I684 PolarHBondContact N-O 3.39Å; V656-I684 PolarHBondContact O-N 3.09Å; V656-I684 VanDerWaalsContact O-N 3.16Å; V682-I684 HydrophobicContact CG1-CG1 4.12Å
685	A	32.6	Very low	30	Very low	66 Å²	66	104.3 Å²	104.3	55%	0.545	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.6	133	178.1	0	0	0	0	0	111.2	S654 R687	S654-A685 WeakPolarHBondContact O-CA 2.73Å; A685-R687 PolarHBondContact O-N 3.05Å
686	V	34.7	Very low	29.8	Very low	48 Å²	48	111.1 Å²	111.1	29%	0.291	59%	0.592	S	S	.	*	S	Bend	trans	-91	80.8	179.1	-174.4	0	0	0	0	109.2	V650 C653 S654	V650-V686 WeakPolarHBondContact O-CG2 3.42Å; C653-V686 VanDerWaalsContact O-CG2 3.31Å; C653-V686 WeakPolarHBondContact O-CG2 3.35Å; S654-V686 PolarHBondContact O-N 3.19Å
687	R	28.1	Very low	29.5	Very low	222 Å²	222	111.4 Å²	111.4	84%	0.838	61%	0.606	S	S	*	*	S	Bend	trans	179.3	157.3	158.1	-101.9	168.6	-166.8	-155.7	5.2	108.8	A685 Y689	A685-R687 PolarHBondContact O-N 3.05Å; R687-Y689 VanDerWaalsContact C-N 3.32Å; R687-Y689 PolarHBondContact O-N 3.47Å
688	P	27.9	Very low	29.2	Very low	106 Å²	106	123 Å²	123	69%	0.688	64%	0.641	S	S	*	*	S	Bend	trans	-82.4	60.8	-137.8	35.2	-37.9	0	0	0	113.7
689	Y	26	Very low	28.9	Very low	193 Å²	193	126.6 Å²	126.6	76%	0.757	66%	0.657	S	S	*	*	S	Bend	trans	-149.9	114.7	177	-66.1	-78.1	0	0	0	111.8	R687	R687-Y689 VanDerWaalsContact C-N 3.32Å; R687-Y689 PolarHBondContact O-N 3.47Å
690	I	24.5	Very low	28.7	Very low	144 Å²	144	129.1 Å²	129.1	74%	0.738	66%	0.663	S	S	*	*			trans	66.3	100.3	145.3	-51.7	167.1	0	0	0	116.1	A692	I690-A692 VanDerWaalsContact C-N 3.35Å; I690-A692 HydrophobicContact CG2-CB 3.82Å; I690-A692 PolarHBondContact O-N 3.32Å; I690-A692 VanDerWaalsContact O-N 3.16Å
691	V	26.5	Very low	28.5	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	68%	0.679	S	S	*	*			trans	-74.6	94.6	149.3	-177.3	0	0	0	0	106.6	L693	V691-L693 HydrophobicContact CG1-CG 4.44Å; V691-L693 PolarHBondContact O-N 2.91Å
692	A	23.9	Very low	28.3	Very low	68 Å²	68	133.5 Å²	133.5	56%	0.562	67%	0.673	S	S	*	*			trans	-81.9	102.1	169	0	0	0	0	0	108	I690 T694	I690-A692 VanDerWaalsContact C-N 3.35Å; I690-A692 HydrophobicContact CG2-CB 3.82Å; I690-A692 PolarHBondContact O-N 3.32Å; I690-A692 VanDerWaalsContact O-N 3.16Å; A692-T694 VanDerWaalsContact C-N 3.31Å; A692-T694 PolarHBondContact O-N 3.44Å; A692-T694 VanDerWaalsContact O-N 3.11Å
693	L	25.9	Very low	27.9	Very low	134 Å²	134	139.6 Å²	139.6	70%	0.702	70%	0.702	S	S	*	*			trans	-75.1	87.9	161.7	-76.3	163.5	0	0	0	107.8	V691 K695	V691-L693 HydrophobicContact CG1-CG 4.44Å; V691-L693 PolarHBondContact O-N 2.91Å; L693-K695 PolarHBondContact O-N 2.9Å; L693-K695 VanDerWaalsContact O-N 3.1Å
694	T	24.6	Very low	27.5	Very low	116 Å²	116	142.9 Å²	142.9	71%	0.712	71%	0.707	S	S	*	*			trans	-73.6	98.3	166	38.5	0	0	0	0	108.9	A692 R696	A692-T694 VanDerWaalsContact C-N 3.31Å; A692-T694 PolarHBondContact O-N 3.44Å; A692-T694 VanDerWaalsContact O-N 3.11Å; T694-R696 PolarHBondContact O-N 2.85Å
695	K	25.6	Very low	26.8	Very low	207 Å²	207	150.2 Å²	150.2	90%	0.9	74%	0.743	S	S	*	*			trans	-58.9	104.8	164.4	-127.5	-179.3	-176.1	-179.4	0	107.7	L693	L693-K695 PolarHBondContact O-N 2.9Å; L693-K695 VanDerWaalsContact O-N 3.1Å
696	R	26	Very low	26.4	Very low	235 Å²	235	156.7 Å²	156.7	89%	0.887	76%	0.758	S	S	*	*			trans	-77	124.9	161.5	-86.7	-170.5	174.5	-174.8	-0.6	107.8	T694 R698	T694-R696 PolarHBondContact O-N 2.85Å; R696-R698 PolarHBondContact O-N 3.46Å
697	S	24.3	Very low	25.7	Very low	113 Å²	113	165.8 Å²	165.8	79%	0.79	80%	0.797	S	S	*	*			trans	-69.1	123.2	173.2	54.2	0	0	0	0	110.3
698	R	25.1	Very low	25.5	Very low	327 Å²	327	160.6 Å²	160.6	100%	1.234	79%	0.793	S	S	*	*			trans	56.4	0	169.7	-77.6	-172.8	176.5	-177.1	-0.8	118.1	R696	R696-R698 PolarHBondContact O-N 3.46Å

Retrieved 698 of 698 residues in 556.2 ms (Link to these results)

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