A0A061HUS7_CRIGR Loading...

SRSF protein kinase 3

Serine/arginine-rich protein-specific kinase which specifically phosphorylates its substrates at serine residues located in regions rich in arginine/serine dipeptides, known as RS domains. Phosphorylates the SR splicing factor SRSF1 and the lamin-B receptor (LBR) in vitro. Required for normal muscle development.

AlphaFold DB , UniProt , Accession A0A061HUS7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Srpk3, Length 565 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	32	Very low	238 Å²	238	114.9 Å²	114.9	100%	1.172	84%	0.837	S	S	*	*				0	124.7	0	-79.1	178.2	166.6	0	0	107.5
2	S	33.7	Very low	32	Very low	119 Å²	119	116.4 Å²	116.4	83%	0.832	83%	0.827	S	S	*	*			trans	65.4	108.5	168.2	-45.4	0	0	0	0	116.2
3	A	32.4	Very low	31.8	Very low	95 Å²	95	116.5 Å²	116.5	79%	0.785	82%	0.824	S	S	*	*			cis	73.2	112.7	44.2	0	0	0	0	0	115.5
4	N	31.3	Very low	31.4	Very low	155 Å²	155	114.1 Å²	114.1	83%	0.829	83%	0.826	S	S	*	*			trans	140.3	118.8	139.4	-89.1	-2.3	0	0	0	111.5
5	A	35.4	Very low	31.2	Very low	96 Å²	96	111.1 Å²	111.1	79%	0.793	82%	0.819	S	S	*	*				67.8	132	71.8	0	0	0	0	0	111.7
6	G	31.1	Very low	31.1	Very low	77 Å²	77	112.1 Å²	112.1	79%	0.794	82%	0.823	S	S	*	*			cis	172.8	177	2.9	0	0	0	0	0	110.2
7	G	29.4	Very low	31.2	Very low	75 Å²	75	111.6 Å²	111.6	77%	0.773	82%	0.818	S	S	*	*			trans	84.5	153.8	152.7	0	0	0	0	0	117.9
8	S	29.7	Very low	31.3	Very low	125 Å²	125	111.3 Å²	111.3	87%	0.874	81%	0.813	S	S	*	*			cis	161.6	142.5	-19.9	36.2	0	0	0	0	107
9	G	30.5	Very low	31.3	Very low	86 Å²	86	111.2 Å²	111.2	89%	0.887	81%	0.81	S	S	*	*			trans	94.1	134.1	164.7	0	0	0	0	0	114.6
10	G	30.5	Very low	31.3	Very low	63 Å²	63	112 Å²	112	65%	0.649	81%	0.814	S	S	*	*			cis	139.1	134.3	9.4	0	0	0	0	0	109.4
11	V	33.8	Very low	31.3	Very low	135 Å²	135	115.2 Å²	115.2	82%	0.818	82%	0.815	S	S	*	*			trans	57.7	149.7	147	-95.6	0	0	0	0	118.8
12	D	31.8	Very low	31.1	Very low	133 Å²	133	110.8 Å²	110.8	71%	0.711	80%	0.802	S	S	*	*			cis	-172.3	164.7	4.6	-132.7	-27.9	0	0	0	109.1
13	C	29.4	Very low	30.9	Very low	118 Å²	118	110 Å²	110	80%	0.797	80%	0.796	S	S	*	*			trans	57.8	146.3	146.6	-63.8	0	0	0	0	120.6
14	G	27.2	Very low	30.7	Very low	82 Å²	82	111.2 Å²	111.2	85%	0.845	80%	0.798	S	S	*	*			cis	144.9	149.8	14.8	0	0	0	0	0	109.7
15	G	28.2	Very low	30.6	Very low	70 Å²	70	107.4 Å²	107.4	72%	0.722	80%	0.795	S	S	*	*			trans	110.2	106.2	164.1	0	0	0	0	0	116.2
16	S	29.9	Very low	30.8	Very low	126 Å²	126	109.1 Å²	109.1	88%	0.881	80%	0.799	S	S	*	*				66.9	131.6	80.3	-49.4	0	0	0	0	112.7
17	S	32.5	Very low	30.7	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	80%	0.801	S	S	*	*			cis	-177.6	159.9	42.3	48.4	0	0	0	0	113.8
18	S	33.1	Very low	31.1	Very low	106 Å²	106	116.4 Å²	116.4	74%	0.741	81%	0.805	S	S	*	*			trans	63.1	147.9	144.3	69.2	0	0	0	0	121
19	S	30.3	Very low	31.1	Very low	108 Å²	108	116 Å²	116	76%	0.755	80%	0.803	S	S	*	*			cis	173	140.8	-8.7	47.7	0	0	0	0	107.9
20	S	31.8	Very low	31.2	Very low	127 Å²	127	115.5 Å²	115.5	89%	0.888	80%	0.797	S	S	*	*			trans	-173.1	139.9	145.4	45.7	0	0	0	0	112.7
21	Q	30.8	Very low	31.2	Very low	180 Å²	180	117.5 Å²	117.5	84%	0.841	80%	0.801	S	S	*	*			trans	-85	152.8	-176	-62.7	169.7	-21.6	0	0	112.1
22	T	30.2	Very low	31	Very low	146 Å²	146	120.6 Å²	120.6	90%	0.896	81%	0.807	S	S	*	*				177.3	160.4	117.5	43	0	0	0	0	112.1
23	S	28.8	Very low	31.1	Very low	101 Å²	101	122.1 Å²	122.1	71%	0.706	81%	0.814	S	S	*	*			trans	-88.5	158.9	-160.3	54.5	0	0	0	0	116.9
24	C	28.1	Very low	31.3	Very low	122 Å²	122	120.6 Å²	120.6	82%	0.824	81%	0.81	S	S	*	*				137.5	120.2	126.3	-76.9	0	0	0	0	114.8
25	G	30.3	Very low	31.6	Very low	75 Å²	75	122.6 Å²	122.6	77%	0.773	81%	0.808	S	S	*	*			trans	78.6	147.2	139.3	0	0	0	0	0	119.7
26	P	39.1	Very low	31.9	Very low	132 Å²	132	123.9 Å²	123.9	86%	0.857	81%	0.812	S	S	*	*			trans	-96.6	136.2	-162.8	36.5	-28.3	0	0	0	112.7
27	E	28.7	Very low	32.1	Very low	182 Å²	182	124.1 Å²	124.1	85%	0.85	81%	0.808	S	S	*	*			trans	-127	133.5	168.6	-71.5	-163.3	142.1	0	0	111.5	S29	E27-S29 PolarHBondContact O-N 3.39Å
28	S	38.8	Very low	32.3	Very low	123 Å²	123	124.7 Å²	124.7	86%	0.86	81%	0.809	S	S	*	*			trans	-54.8	117.7	175.7	58.8	0	0	0	0	110.8	G30	S28-G30 PolarHBondContact O-N 3.13Å
29	S	29.3	Very low	32.3	Very low	117 Å²	117	123.9 Å²	123.9	82%	0.818	81%	0.809	S	S	*	*			trans	-93.9	96.6	170.4	-53.3	0	0	0	0	108.5	E27 S31	E27-S29 PolarHBondContact O-N 3.39Å; S29-S31 PolarHBondContact O-N 3.22Å
30	G	33	Very low	32.5	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	81%	0.805	S	S	*	*			trans	-66.2	114.4	154.9	0	0	0	0	0	107.6	S28 E32	S28-G30 PolarHBondContact O-N 3.13Å; G30-E32 PolarHBondContact O-N 2.97Å
31	S	29.7	Very low	32.6	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	80%	0.795	S	S	*	*			trans	-82.7	103.9	170.3	58.7	0	0	0	0	108.6	S29 L33	S29-S31 PolarHBondContact O-N 3.22Å; S31-L33 PolarHBondContact O-N 2.92Å; S31-L33 VanDerWaalsContact O-N 3.14Å
32	E	31	Very low	32.6	Very low	200 Å²	200	121.5 Å²	121.5	94%	0.935	79%	0.794	S	S	*	*			trans	-50.2	111.9	156.6	-104.2	172.8	122	0	0	108.8	G30 A34	G30-E32 PolarHBondContact O-N 2.97Å; E32-A34 PolarHBondContact O-N 3.32Å
33	L	33.4	Very low	32.7	Very low	166 Å²	166	121.1 Å²	121.1	87%	0.869	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-73.1	122	168.3	-86.5	154.6	0	0	0	108.2	S31	S31-L33 PolarHBondContact O-N 2.92Å; S31-L33 VanDerWaalsContact O-N 3.14Å
34	A	33.8	Very low	32.6	Very low	86 Å²	86	123.5 Å²	123.5	71%	0.711	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-52.9	143	173.5	0	0	0	0	0	111.1	E32 A36	E32-A34 PolarHBondContact O-N 3.32Å; A34-A36 PolarHBondContact O-N 2.97Å
35	P	33.7	Very low	32.5	Very low	123 Å²	123	121.3 Å²	121.3	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61.5	134.8	178.2	23.7	-31	0	0	0	110.4	T37	P35-T37 PolarHBondContact O-N 2.98Å
36	A	33.6	Very low	32.4	Very low	97 Å²	97	126.2 Å²	126.2	80%	0.802	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-47.7	123.5	176.9	0	0	0	0	0	110.6	A34	A34-A36 PolarHBondContact O-N 2.97Å
37	T	34.5	Very low	32.1	Very low	132 Å²	132	126.8 Å²	126.8	81%	0.81	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.4	131.9	175.4	-28.2	0	0	0	0	108.2	P35	P35-T37 PolarHBondContact O-N 2.98Å
38	P	36.2	Very low	32.1	Very low	116 Å²	116	121 Å²	121	75%	0.753	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-60.1	143.6	176	-17.9	29.3	0	0	0	110.5
39	A	33.8	Very low	31.7	Very low	90 Å²	90	118.6 Å²	118.6	74%	0.744	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-49.7	144.8	175.3	0	0	0	0	0	112
40	P	33	Very low	32.3	Very low	104 Å²	104	116.4 Å²	116.4	68%	0.675	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-61.5	144.3	-174.9	22.2	-31.6	0	0	0	112.6	L42	P40-L42 PolarHBondContact O-N 3.36Å
41	P	34.5	Very low	32.7	Very low	104 Å²	104	118.2 Å²	118.2	68%	0.675	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	40.3	-170.3	33	-36.1	0	0	0	114.3
42	L	31	Very low	33.5	Very low	157 Å²	157	120.7 Å²	120.7	82%	0.822	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-0.1	178.5	-73.5	179.3	0	0	0	114.8	P40	P40-L42 PolarHBondContact O-N 3.36Å
43	L	32.7	Very low	35	Very low	137 Å²	137	117.2 Å²	117.2	72%	0.717	70%	0.703	S	S	*	*	S	Bend	trans	-107.1	-0.5	174.3	-80.6	159.4	0	0	0	114	G45 F46	L43-G45 PolarHBondContact O-N 2.96Å; L43-F46 HydrophobicContact CD2-CB 4.34Å; L43-F46 PolarHBondContact O-N 3.12Å
44	Q	27.4	Very low	36.9	Very low	151 Å²	151	112.3 Å²	112.3	71%	0.706	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-10.2	179.3	-141.9	155.9	22.8	0	0	113.1	L47	Q44-L47 HydrophobicContact CG-CD1 4.5Å
45	G	24.3	Very low	39.2	Very low	76 Å²	76	108.2 Å²	108.2	78%	0.784	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-4.1	171.3	0	0	0	0	0	115.2	L43	L43-G45 PolarHBondContact O-N 2.96Å
46	F	27.9	Very low	41.6	Very low	179 Å²	179	105.8 Å²	105.8	79%	0.785	62%	0.622	S	S	*	*			trans	-106.1	8.7	177.2	-98.7	-86	0	0	0	113.1	L43 G48	L43-F46 HydrophobicContact CD2-CB 4.34Å; L43-F46 PolarHBondContact O-N 3.12Å; F46-G48 PolarHBondContact O-N 2.95Å
47	L	32.9	Very low	44.1	Very low	144 Å²	144	104.6 Å²	104.6	75%	0.754	61%	0.606	S	S	*	*			trans	-74	71.2	161.4	-70.5	167.2	0	0	0	108	Q44 S49	Q44-L47 HydrophobicContact CG-CD1 4.5Å; L47-S49 PolarHBondContact O-N 3.37Å; L47-S49 VanDerWaalsContact O-N 3.09Å
48	G	29.2	Very low	46.7	Very low	60 Å²	60	106.1 Å²	106.1	62%	0.619	60%	0.601	S	S	*	*			trans	-56.7	115.3	166.1	0	0	0	0	0	107.4	F46 D50	F46-G48 PolarHBondContact O-N 2.95Å; G48-D50 PolarHBondContact O-N 2.94Å
49	S	31.6	Very low	49.3	Very low	72 Å²	72	102.9 Å²	102.9	50%	0.503	58%	0.578	S	S	.	*			trans	-59.2	93.3	160.2	51.3	0	0	0	0	107.3	L47 E51 E52	L47-S49 PolarHBondContact O-N 3.37Å; L47-S49 VanDerWaalsContact O-N 3.09Å; S49-E51 PolarHBondContact O-N 3.25Å; S49-E52 PolarHBondContact O-N 3.43Å; S49-E52 VanDerWaalsContact O-N 3.16Å
50	D	40.9	Very low	52.1	Low	72 Å²	72	99.8 Å²	99.8	39%	0.385	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-6.5	173	-101.2	3.4	0	0	0	113.5	G48 E52 S362	G48-D50 PolarHBondContact O-N 2.94Å; D50-E52 VanDerWaalsContact C-N 3.27Å; D50-E52 PolarHBondContact O-N 3.37Å; D50-S362 PolarHBondContact O-OG 3.2Å
51	E	41.3	Very low	55	Low	113 Å²	113	97.9 Å²	97.9	53%	0.528	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.7	175.6	-59.4	-161.7	148	0	0	114.1	S49	S49-E51 PolarHBondContact O-N 3.25Å
52	E	46.6	Very low	57.8	Low	155 Å²	155	103.8 Å²	103.8	72%	0.724	54%	0.544	S	S	*	.	S	Bend	trans	-116	-11.5	-170.7	-61.3	-161.9	156.7	0	0	115.9	S49 D50 Q54	S49-E52 PolarHBondContact O-N 3.43Å; S49-E52 VanDerWaalsContact O-N 3.16Å; D50-E52 VanDerWaalsContact C-N 3.27Å; D50-E52 PolarHBondContact O-N 3.37Å; E52-Q54 PolarHBondContact O-N 3.48Å; E52-Q54 VanDerWaalsContact O-N 3.08Å
53	E	63	Low	60.8	Low	127 Å²	127	97.1 Å²	97.1	59%	0.593	51%	0.513	S	S	*	.			trans	-78.4	106.1	-173.5	-136.3	178.5	-164.9	0	0	111.5	W86	E53-W86 HydrophobicContact CB-CZ2 4.45Å; E53-W86 HydrophobicContact CG-CZ2 4.26Å; E53-W86 PolarHBondContact O-NE1 2.98Å
54	Q	73.1	Confident	63.8	Low	64 Å²	64	90.9 Å²	90.9	30%	0.299	48%	0.482	S	S	.	.			trans	-109.2	154.4	173.5	-75.3	-170.8	-0.6	0	0	109.6	E52 W86 R246 T251	E52-Q54 PolarHBondContact O-N 3.48Å; E52-Q54 VanDerWaalsContact O-N 3.08Å; Q54-W86 VanDerWaalsContact C-CE2 3.5Å; Q54-W86 WeakPolarHBondContact O-CZ2 3.47Å; Q54-R246 VanDerWaalsContact NE2-C 3.28Å; Q54-R246 PolarHBondContact NE2-O 3.03Å; Q54-T251 HydrophobicContact CB-CG2 3.85Å; Q54-T251 HydrophobicContact CG-CG2 3.6Å; Q54-T251 VanDerWaalsContact OE1-CB 3.22Å
55	E	82.1	Confident	67.1	Low	0 Å²	0	83.8 Å²	83.8	0%	0	45%	0.449	C	S	.	.			trans	-58	144.8	172.4	69.2	-81.2	-152.2	0	0	111.1	P57 Y60 Y65 K83 W86 T251	E55-P57 VanDerWaalsContact O-CD 3.23Å; E55-P57 WeakPolarHBondContact O-CD 3.45Å; E55-P57 VanDerWaalsContact O-N 3.14Å; E55-Y60 HydrophobicContact CG-CE2 3.67Å; E55-Y60 PolarHBondContact OE1-OH 2.91Å; E55-Y65 HydrophobicContact CB-CD2 4.37Å; E55-Y65 HydrophobicContact CB-CE2 3.67Å; E55-Y65 HydrophobicContact CG-CD2 4.06Å; E55-Y65 HydrophobicContact CG-CE2 3.87Å; E55-K83 IonicContact OE1-NZ 3.89Å; E55-K83 PolarHBondContact OE1-NZ 3.47Å; E55-K83 IonicContact OE2-NZ 2.97Å; E55-K83 PolarHBondContact OE2-NZ 3.43Å; E55-W86 HydrophobicContact CB-CD2 3.74Å; E55-W86 HydrophobicContact CB-CE3 3.44Å; E55-W86 VanDerWaalsContact CB-CE3 3.44Å; E55-W86 HydrophobicContact CB-CG 4.34Å; E55-W86 HydrophobicContact CB-CH2 4.35Å; E55-W86 HydrophobicContact CB-CZ3 3.78Å; E55-W86 VanDerWaalsContact N-CE2 3.27Å; E55-T251 PolarHBondContact OE1-OG1 2.66Å; E55-T251 PolarHBondContact OE2-OG1 2.93Å
56	D	83.8	Confident	70.5	Confident	72 Å²	72	82.1 Å²	82.1	39%	0.385	42%	0.42	S	S	.	.			trans	-57.9	119.5	177.9	-171.8	-22.1	0	0	0	109.6	K58 D59	D56-K58 PolarHBondContact O-N 2.85Å; D56-K58 VanDerWaalsContact OD1-CB 3.26Å; D56-K58 WeakPolarHBondContact OD1-CB 3.44Å; D56-K58 VanDerWaalsContact OD1-CG 3.27Å; D56-K58 WeakPolarHBondContact OD1-CG 3.45Å; D56-K58 PolarHBondContact OD1-N 2.84Å; D56-D59 WeakPolarHBondContact O-CB 3.37Å; D56-D59 PolarHBondContact O-N 2.86Å
57	P	86.6	Confident	73.6	Confident	71 Å²	71	75.1 Å²	75.1	46%	0.461	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-55	-23.2	176.9	-27.8	36.7	0	0	0	114	E55 D59 Y60	E55-P57 VanDerWaalsContact O-CD 3.23Å; E55-P57 WeakPolarHBondContact O-CD 3.45Å; E55-P57 VanDerWaalsContact O-N 3.14Å; P57-D59 PolarHBondContact O-N 3.3Å; P57-Y60 PolarHBondContact O-N 2.84Å
58	K	88.2	Confident	76.4	Confident	164 Å²	164	68.2 Å²	68.2	71%	0.713	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-67.3	-24.2	176.1	-63.5	171.9	-171.9	163.8	0	113.1	D56 Y60 C61	D56-K58 PolarHBondContact O-N 2.85Å; D56-K58 VanDerWaalsContact OD1-CB 3.26Å; D56-K58 WeakPolarHBondContact OD1-CB 3.44Å; D56-K58 VanDerWaalsContact OD1-CG 3.27Å; D56-K58 WeakPolarHBondContact OD1-CG 3.45Å; D56-K58 PolarHBondContact OD1-N 2.84Å; K58-Y60 PolarHBondContact O-N 3.3Å; K58-C61 PolarHBondContact O-SG 3.46Å
59	D	91.4	Very high	79.3	Confident	48 Å²	48	69.2 Å²	69.2	26%	0.257	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-73.1	-5.8	177	-79.4	-2.6	0	0	0	112.7	D56 P57 C61 G64 Y65 K110	D56-D59 WeakPolarHBondContact O-CB 3.37Å; D56-D59 PolarHBondContact O-N 2.86Å; P57-D59 PolarHBondContact O-N 3.3Å; D59-C61 PolarHBondContact O-N 3.27Å; D59-G64 CarbonylContact O-C 3.57Å; D59-G64 WeakPolarHBondContact O-CA 3.38Å; D59-Y65 HydrophobicContact CB-CD2 3.33Å; D59-Y65 HydrophobicContact CB-CE2 3.34Å; D59-Y65 PolarHBondContact O-N 3.28Å; D59-Y65 WeakPolarHBondContact OD2-CE2 3.41Å; D59-K110 IonicContact OD2-NZ 2.76Å; D59-K110 PolarHBondContact OD2-NZ 3.21Å
60	Y	92.6	Very high	82	Confident	25 Å²	25	67.9 Å²	67.9	10%	0.098	33%	0.33	C	S	.	.	S	Bend	trans	-80.7	52.2	170.3	-73.9	-85.2	0	0	0	112.3	E55 P57 K58 Y65 P67 N155 A252	E55-Y60 HydrophobicContact CG-CE2 3.67Å; E55-Y60 PolarHBondContact OE1-OH 2.91Å; P57-Y60 PolarHBondContact O-N 2.84Å; K58-Y60 PolarHBondContact O-N 3.3Å; Y60-Y65 HydrophobicContact CE2-CD2 4.41Å; Y60-P67 HydrophobicContact CD1-CB 4.12Å; Y60-P67 HydrophobicContact CE1-CB 4.24Å; Y60-N155 VanDerWaalsContact C-ND2 3.34Å; Y60-N155 PolarHBondContact O-ND2 2.81Å; Y60-A252 HydrophobicContact CD1-CB 4.09Å; Y60-A252 HydrophobicContact CE1-CB 3.66Å; Y60-A252 HydrophobicContact CE2-CB 4.47Å
61	C	93	Very high	84.2	Confident	65 Å²	65	64.6 Å²	64.6	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-121	178.6	178.5	61.7	0	0	0	0	111.8	K58 D59 G63 G64 N155	K58-C61 PolarHBondContact O-SG 3.46Å; D59-C61 PolarHBondContact O-N 3.27Å; C61-G63 PolarHBondContact O-N 2.94Å; C61-G64 WeakPolarHBondContact O-CA 3.2Å; C61-G64 PolarHBondContact O-N 2.96Å; C61-N155 VanDerWaalsContact C-CG 3.41Å; C61-N155 WeakPolarHBondContact O-CB 3.38Å; C61-N155 PolarHBondContact O-ND2 3.37Å; C61-N155 PolarHBondContact O-OD1 2.83Å
62	R	94.6	Very high	86.6	Confident	227 Å²	227	60 Å²	60	86%	0.857	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	127.8	177	-173.1	-179.2	-178.1	-165.3	-0.6	110.4	G64 N155	R62-G64 PolarHBondContact O-N 3.4Å; R62-N155 WeakPolarHBondContact CA-O 3.46Å
63	G	94.4	Very high	88.9	Confident	17 Å²	17	55.4 Å²	55.4	18%	0.175	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-13.4	-172.7	0	0	0	0	0	114.2	C61 S111 A112 N155	C61-G63 PolarHBondContact O-N 2.94Å; G63-S111 VanDerWaalsContact C-OG 3.26Å; G63-S111 WeakPolarHBondContact CA-OG 3.16Å; G63-S111 PolarHBondContact N-OG 3.3Å; G63-S111 PolarHBondContact O-N 3.33Å; G63-S111 VanDerWaalsContact O-N 3.13Å; G63-A112 WeakPolarHBondContact O-CB 3.47Å; G63-A112 PolarHBondContact O-N 3.1Å; G63-N155 PolarHBondContact N-O 3.41Å
64	G	95.1	Very high	90.5	Very high	6 Å²	6	49.8 Å²	49.8	6%	0.062	25%	0.246	C	C	.	.	S	Bend	trans	-89.8	-150.3	-179.9	0	0	0	0	0	113.9	D59 C61 R62 K110 S111 H158	D59-G64 CarbonylContact O-C 3.57Å; D59-G64 WeakPolarHBondContact O-CA 3.38Å; C61-G64 WeakPolarHBondContact O-CA 3.2Å; C61-G64 PolarHBondContact O-N 2.96Å; R62-G64 PolarHBondContact O-N 3.4Å; G64-K110 VanDerWaalsContact O-CA 3.3Å; G64-K110 WeakPolarHBondContact O-CA 3.49Å; G64-S111 PolarHBondContact O-N 3.22Å; G64-S111 VanDerWaalsContact O-N 3.09Å; G64-S111 PolarHBondContact O-OG 3.06Å; G64-H158 PolarHBondContact O-CE1 3.42Å
65	Y	95.8	Very high	91.6	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	26%	0.255	C	S	.	.			trans	-69.2	155	-174.8	-67.4	-64.4	0	0	0	113.3	E55 D59 Y60 G87 H88 T91 K110 N155	E55-Y65 HydrophobicContact CB-CD2 4.37Å; E55-Y65 HydrophobicContact CB-CE2 3.67Å; E55-Y65 HydrophobicContact CG-CD2 4.06Å; E55-Y65 HydrophobicContact CG-CE2 3.87Å; D59-Y65 HydrophobicContact CB-CD2 3.33Å; D59-Y65 HydrophobicContact CB-CE2 3.34Å; D59-Y65 PolarHBondContact O-N 3.28Å; D59-Y65 WeakPolarHBondContact OD2-CE2 3.41Å; Y60-Y65 HydrophobicContact CE2-CD2 4.41Å; Y65-G87 PolarHBondContact OH-O 3.5Å; Y65-H88 PolarHBondContact OH-O 3.42Å; Y65-T91 HydrophobicContact CD1-CG2 4Å; Y65-T91 HydrophobicContact CE1-CG2 4.2Å; Y65-K110 HydrophobicContact CD1-CD 4.3Å; Y65-K110 HydrophobicContact CD1-CG 3.65Å; Y65-K110 HydrophobicContact CE1-CD 4.15Å; Y65-K110 HydrophobicContact CE1-CG 3.88Å; Y65-K110 HydrophobicContact CG-CG 4.19Å; Y65-K110 WeakPolarHBondContact OH-CE 3.44Å; Y65-N155 PolarHBondContact O-ND2 2.85Å
66	Y	95.5	Very high	92.2	Very high	42 Å²	42	53.6 Å²	53.6	17%	0.165	28%	0.281	C	S	.	.			trans	-87.8	131.6	168.7	-174.9	-84.7	0	0	0	110.4	V68 F74 V108 I151 H158	Y66-V68 VanDerWaalsContact C-N 3.32Å; Y66-V68 HydrophobicContact CD1-CB 4.39Å; Y66-V68 HydrophobicContact CD1-CG2 3.59Å; Y66-V68 HydrophobicContact CE1-CG2 4.26Å; Y66-V68 PolarHBondContact O-N 3.47Å; Y66-F74 HydrophobicContact CD1-CZ 4.24Å; Y66-F74 AromaticContact CE1-CE1 3.87Å; Y66-F74 HydrophobicContact CE1-CE1 3.87Å; Y66-F74 AromaticContact CE1-CZ 3.67Å; Y66-F74 HydrophobicContact CE1-CZ 3.67Å; Y66-V108 HydrophobicContact CG-CG1 4.33Å; Y66-I151 HydrophobicContact CD1-CD1 4.01Å; Y66-I151 HydrophobicContact CD2-CD1 3.59Å; Y66-I151 HydrophobicContact CD2-CG1 4.14Å; Y66-I151 HydrophobicContact CE1-CD1 4.1Å; Y66-I151 HydrophobicContact CE2-CD1 3.65Å; Y66-I151 HydrophobicContact CE2-CG1 4.14Å; Y66-I151 HydrophobicContact CG-CD1 3.76Å; Y66-H158 AromaticContact CD2-CD2 3.58Å; Y66-H158 AromaticContact CD2-NE2 3.76Å; Y66-H158 PolarHBondContact N-CE1 2.99Å
67	P	93.4	Very high	92.8	Very high	31 Å²	31	51.8 Å²	51.8	20%	0.201	27%	0.268	C	S	.	.			trans	-76.3	75.6	179.4	32.9	-36.5	0	0	0	112.5	Y60 V154 A252	Y60-P67 HydrophobicContact CD1-CB 4.12Å; Y60-P67 HydrophobicContact CE1-CB 4.24Å; P67-V154 HydrophobicContact CG-CG2 4.36Å; P67-A252 HydrophobicContact CB-CB 3.57Å
68	V	92.9	Very high	93.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.			trans	-68	134.7	178.1	179.5	0	0	0	0	110.3	Y66 F74 V80 W93 V108 S250	Y66-V68 VanDerWaalsContact C-N 3.32Å; Y66-V68 HydrophobicContact CD1-CB 4.39Å; Y66-V68 HydrophobicContact CD1-CG2 3.59Å; Y66-V68 HydrophobicContact CE1-CG2 4.26Å; Y66-V68 PolarHBondContact O-N 3.47Å; V68-F74 HydrophobicContact CG1-CE2 3.95Å; V68-F74 HydrophobicContact CG1-CZ 4.31Å; V68-F74 HydrophobicContact CG2-CE2 4.42Å; V68-F74 HydrophobicContact CG2-CZ 4.16Å; V68-V80 HydrophobicContact CG1-CG1 4.11Å; V68-V80 HydrophobicContact CG1-CG2 4.06Å; V68-W93 HydrophobicContact CB-CD2 4.11Å; V68-W93 HydrophobicContact CB-CH2 4.14Å; V68-W93 HydrophobicContact CB-CZ2 3.55Å; V68-W93 HydrophobicContact CG1-CD2 3.59Å; V68-W93 HydrophobicContact CG1-CE3 3.93Å; V68-W93 HydrophobicContact CG1-CG 4.07Å; V68-W93 HydrophobicContact CG1-CH2 4.2Å; V68-W93 HydrophobicContact CG1-CZ2 3.9Å; V68-W93 HydrophobicContact CG1-CZ3 4.21Å; V68-W93 HydrophobicContact CG2-CZ2 4.28Å; V68-V108 HydrophobicContact CG2-CG2 4.15Å; V68-S250 WeakPolarHBondContact O-CB 3.42Å; V68-S250 PolarHBondContact O-OG 3.42Å
69	K	89.8	Confident	93.6	Very high	81 Å²	81	40.8 Å²	40.8	35%	0.352	21%	0.213	S	C	.	.			trans	-116.3	145.1	175	-60.5	173.6	-175.1	174	0	110.7	G71 D72 E255	K69-G71 PolarHBondContact O-N 3.36Å; K69-D72 WeakPolarHBondContact CB-OD2 3.39Å; K69-D72 PolarHBondContact N-OD2 2.91Å; K69-D72 VanDerWaalsContact O-CB 3.27Å; K69-D72 WeakPolarHBondContact O-CB 3.29Å; K69-D72 PolarHBondContact O-N 2.77Å; K69-E255 IonicContact NZ-OE1 2.78Å
70	I	87.8	Confident	93.8	Very high	43 Å²	43	38.5 Å²	38.5	22%	0.221	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	132.9	171	-59.6	-51.8	0	0	0	109.8	D72 V80 V81 W93 Q237	I70-D72 VanDerWaalsContact C-N 3.33Å; I70-V80 HydrophobicContact CD1-CG1 3.94Å; I70-V81 WeakPolarHBondContact CG2-O 3.38Å; I70-W93 HydrophobicContact CD1-CE3 4.01Å; I70-W93 HydrophobicContact CD1-CZ3 3.6Å; I70-Q237 HydrophobicContact CG2-CG 4.09Å
71	G	87.3	Confident	93.7	Very high	4 Å²	4	37.4 Å²	37.4	4%	0.041	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	7.1	-174.4	0	0	0	0	0	115.1	K69 V80 Q276	K69-G71 PolarHBondContact O-N 3.36Å; G71-V80 PolarHBondContact N-O 3.05Å; G71-Q276 VanDerWaalsContact C-NE2 3.31Å; G71-Q276 WeakPolarHBondContact O-CG 3.49Å; G71-Q276 PolarHBondContact O-NE2 3.39Å
72	D	91.4	Very high	93.6	Very high	16 Å²	16	34.7 Å²	34.7	9%	0.086	18%	0.177	C	C	.	.			trans	-65.5	151.6	166	-78.1	-22.5	0	0	0	110.7	K69 I70 F74 H79 V80 K272	K69-D72 WeakPolarHBondContact CB-OD2 3.39Å; K69-D72 PolarHBondContact N-OD2 2.91Å; K69-D72 VanDerWaalsContact O-CB 3.27Å; K69-D72 WeakPolarHBondContact O-CB 3.29Å; K69-D72 PolarHBondContact O-N 2.77Å; I70-D72 VanDerWaalsContact C-N 3.33Å; D72-F74 HydrophobicContact CB-CE2 4.14Å; D72-F74 HydrophobicContact CB-CZ 4.48Å; D72-H79 WeakPolarHBondContact O-CA 3.35Å; D72-V80 HydrophobicContact CB-CG2 4.14Å; D72-V80 PolarHBondContact O-N 2.97Å; D72-K272 IonicContact OD1-NZ 2.81Å; D72-K272 PolarHBondContact OD1-NZ 3Å
73	L	94.4	Very high	93.4	Very high	58 Å²	58	24 Å²	24	30%	0.304	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.1	177.6	-177.6	69.6	0	0	0	108.8	Y78 H79 I98 L279	L73-Y78 WeakPolarHBondContact CA-O 3.46Å; L73-H79 HydrophobicContact CD1-CB 4.15Å; L73-I98 HydrophobicContact CD1-CD1 4.45Å; L73-L279 HydrophobicContact CB-CD1 4.48Å; L73-L279 HydrophobicContact CD1-CD1 4.47Å; L73-L279 HydrophobicContact CD2-CD1 4.19Å
74	F	96.5	Very high	93.1	Very high	10 Å²	10	25 Å²	25	4%	0.044	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.5	178.5	-71.4	-72.1	0	0	0	111.9	Y66 V68 D72 G76 R77 Y78 V80 L106 F149 I151	Y66-F74 HydrophobicContact CD1-CZ 4.24Å; Y66-F74 AromaticContact CE1-CE1 3.87Å; Y66-F74 HydrophobicContact CE1-CE1 3.87Å; Y66-F74 AromaticContact CE1-CZ 3.67Å; Y66-F74 HydrophobicContact CE1-CZ 3.67Å; V68-F74 HydrophobicContact CG1-CE2 3.95Å; V68-F74 HydrophobicContact CG1-CZ 4.31Å; V68-F74 HydrophobicContact CG2-CE2 4.42Å; V68-F74 HydrophobicContact CG2-CZ 4.16Å; D72-F74 HydrophobicContact CB-CE2 4.14Å; D72-F74 HydrophobicContact CB-CZ 4.48Å; F74-G76 PolarHBondContact O-N 3Å; F74-R77 PolarHBondContact O-N 3.46Å; F74-Y78 PolarHBondContact N-O 3.1Å; F74-Y78 PolarHBondContact O-N 3.36Å; F74-V80 HydrophobicContact CD2-CG2 3.72Å; F74-V80 HydrophobicContact CE2-CG2 3.62Å; F74-L106 HydrophobicContact CB-CD2 4.29Å; F74-L106 HydrophobicContact CD2-CD2 3.46Å; F74-L106 VanDerWaalsContact CD2-CD2 3.46Å; F74-L106 HydrophobicContact CE2-CD2 3.97Å; F74-L106 HydrophobicContact CG-CD2 4.02Å; F74-F149 HydrophobicContact CB-CE2 3.99Å; F74-F149 HydrophobicContact CB-CZ 3.82Å; F74-I151 HydrophobicContact CD1-CD1 4.12Å; F74-I151 HydrophobicContact CD1-CG2 3.8Å; F74-I151 HydrophobicContact CE1-CD1 3.5Å; F74-I151 HydrophobicContact CE1-CG2 4.21Å; F74-I151 HydrophobicContact CZ-CD1 4.22Å
75	N	96.3	Very high	92.8	Very high	93 Å²	93	24.9 Å²	24.9	50%	0.497	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	28.1	-179.2	-157.1	23.6	0	0	0	114.1	R77 Y78 F149	N75-R77 PolarHBondContact O-N 3.29Å; N75-Y78 HydrophobicContact CB-CD2 4.17Å; N75-Y78 HydrophobicContact CB-CE2 4.36Å; N75-F149 HydrophobicContact CB-CD1 4.03Å; N75-F149 HydrophobicContact CB-CD2 4.14Å; N75-F149 HydrophobicContact CB-CE1 4.03Å; N75-F149 HydrophobicContact CB-CE2 4.15Å; N75-F149 HydrophobicContact CB-CG 4.09Å; N75-F149 HydrophobicContact CB-CZ 4.1Å
76	G	94.6	Very high	92.4	Very high	51 Å²	51	26.9 Å²	26.9	53%	0.526	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	12.6	-173.7	0	0	0	0	0	115.2	F74 I98	F74-G76 PolarHBondContact O-N 3Å; G76-I98 VanDerWaalsContact O-CD1 3.31Å; G76-I98 WeakPolarHBondContact O-CD1 3.42Å
77	R	96.8	Very high	91.9	Very high	34 Å²	34	25 Å²	25	13%	0.128	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-42.5	-166.2	178.7	175.7	176.6	-169.1	-2.5	114.2	F74 N75 D97 I98 Q99 D147	F74-R77 PolarHBondContact O-N 3.46Å; N75-R77 PolarHBondContact O-N 3.29Å; R77-D97 WeakPolarHBondContact CG-OD1 3.19Å; R77-D97 IonicContact CZ-OD1 3.22Å; R77-D97 IonicContact CZ-OD2 3.69Å; R77-D97 VanDerWaalsContact CZ-OD2 3.31Å; R77-D97 VanDerWaalsContact NE-CG 3.3Å; R77-D97 IonicContact NE-OD1 2.73Å; R77-D97 PolarHBondContact NE-OD1 2.92Å; R77-D97 IonicContact NE-OD2 3.58Å; R77-D97 PolarHBondContact NE-OD2 3.38Å; R77-D97 VanDerWaalsContact NE-OD2 3.16Å; R77-D97 IonicContact NH2-OD1 3.61Å; R77-D97 IonicContact NH2-OD2 2.7Å; R77-D97 PolarHBondContact NH2-OD2 2.9Å; R77-I98 WeakPolarHBondContact O-CG1 3.49Å; R77-I98 PolarHBondContact O-N 3.29Å; R77-I98 VanDerWaalsContact O-N 3.12Å; R77-Q99 HydrophobicContact CG-CB 4.44Å; R77-Q99 HydrophobicContact CG-CG 4.02Å; R77-D147 IonicContact NH1-OD2 2.74Å
78	Y	97.9	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.9	-169.9	-58.2	-69	0	0	0	110.9	L73 F74 N75 D97 V104 D147 F149 V162	L73-Y78 WeakPolarHBondContact CA-O 3.46Å; F74-Y78 PolarHBondContact N-O 3.1Å; F74-Y78 PolarHBondContact O-N 3.36Å; N75-Y78 HydrophobicContact CB-CD2 4.17Å; N75-Y78 HydrophobicContact CB-CE2 4.36Å; Y78-D97 HydrophobicContact CD1-CB 4.28Å; Y78-D97 HydrophobicContact CE1-CB 4.14Å; Y78-V104 HydrophobicContact CD1-CG2 3.71Å; Y78-V104 HydrophobicContact CE1-CG2 3.99Å; Y78-D147 WeakPolarHBondContact CE2-OD2 3.35Å; Y78-D147 WeakPolarHBondContact OH-CB 3.5Å; Y78-D147 PolarHBondContact OH-OD2 3.34Å; Y78-F149 AromaticContact CD2-CE1 3.63Å; Y78-F149 HydrophobicContact CD2-CE1 3.63Å; Y78-F149 HydrophobicContact CD2-CZ 4.02Å; Y78-F149 HydrophobicContact CE2-CD1 4.29Å; Y78-F149 AromaticContact CE2-CE1 3.65Å; Y78-F149 HydrophobicContact CE2-CE1 3.65Å; Y78-F149 HydrophobicContact CE2-CZ 4.47Å; Y78-V162 HydrophobicContact CD1-CG1 4.31Å; Y78-V162 HydrophobicContact CD2-CG2 4.18Å; Y78-V162 HydrophobicContact CE1-CG1 3.71Å; Y78-V162 HydrophobicContact CE1-CG2 4.12Å; Y78-V162 HydrophobicContact CE2-CG2 3.75Å
79	H	95	Very high	91.4	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.9	-178.2	-179.7	-147.4	0	0	0	110.7	D72 L73 V81 C95 W96 I98	D72-H79 WeakPolarHBondContact O-CA 3.35Å; L73-H79 HydrophobicContact CD1-CB 4.15Å; H79-V81 WeakPolarHBondContact O-CG2 3.3Å; H79-V81 PolarHBondContact O-N 2.94Å; H79-C95 CarbonylContact O-C 3.49Å; H79-C95 WeakPolarHBondContact O-CA 3.42Å; H79-W96 HydrophobicContact CB-CB 4.41Å; H79-W96 PolarHBondContact N-O 3.42Å; H79-W96 PolarHBondContact O-N 3.44Å; H79-I98 HydrophobicContact CB-CG2 4.38Å
80	V	94.6	Very high	91.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.5	-174.7	-178	0	0	0	0	111.4	V68 I70 G71 D72 F74 W93	V68-V80 HydrophobicContact CG1-CG1 4.11Å; V68-V80 HydrophobicContact CG1-CG2 4.06Å; I70-V80 HydrophobicContact CD1-CG1 3.94Å; G71-V80 PolarHBondContact N-O 3.05Å; D72-V80 HydrophobicContact CB-CG2 4.14Å; D72-V80 PolarHBondContact O-N 2.97Å; F74-V80 HydrophobicContact CD2-CG2 3.72Å; F74-V80 HydrophobicContact CE2-CG2 3.62Å; V80-W93 HydrophobicContact CG1-CB 4.39Å; V80-W93 HydrophobicContact CG1-CD2 4.31Å; V80-W93 HydrophobicContact CG1-CE3 3.68Å; V80-W93 HydrophobicContact CG1-CZ3 4.4Å
81	V	91.5	Very high	91.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-55.1	-177	-172.7	0	0	0	0	111.7	I70 H79 L94 W96 F103 A230 A233	I70-V81 WeakPolarHBondContact CG2-O 3.38Å; H79-V81 WeakPolarHBondContact O-CG2 3.3Å; H79-V81 PolarHBondContact O-N 2.94Å; V81-L94 WeakPolarHBondContact CA-O 3.36Å; V81-L94 HydrophobicContact CB-CB 4.42Å; V81-L94 HydrophobicContact CB-CD2 4.33Å; V81-L94 HydrophobicContact CB-CG 4.26Å; V81-L94 WeakPolarHBondContact CB-O 3.11Å; V81-L94 HydrophobicContact CG1-CD2 4.33Å; V81-L94 PolarHBondContact N-O 2.99Å; V81-W96 HydrophobicContact CG2-CB 4.21Å; V81-F103 HydrophobicContact CG2-CE1 4.23Å; V81-A230 HydrophobicContact CG1-CB 4.07Å; V81-A233 HydrophobicContact CG1-CB 3.99Å
82	R	89.8	Confident	92.3	Very high	9 Å²	9	26.8 Å²	26.8	3%	0.034	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161.3	-178.3	58.7	176.2	-71.8	157.4	-1.6	110.7	W93 L94 A233	R82-W93 CarbonylContact O-C 3.59Å; R82-L94 HydrophobicContact CG-CB 3.62Å; R82-L94 HydrophobicContact CG-CD2 3.74Å; R82-L94 HydrophobicContact CG-CG 4.29Å; R82-L94 PolarHBondContact N-O 2.91Å; R82-L94 PolarHBondContact O-N 2.76Å; R82-A233 HydrophobicContact CB-CB 4.09Å; R82-A233 HydrophobicContact CG-CB 4.49Å
83	K	90.7	Very high	92.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.3	167.7	-161	169.9	170.9	-175.5	0	109.5	E55 G85 W93 T248	E55-K83 IonicContact OE1-NZ 3.89Å; E55-K83 PolarHBondContact OE1-NZ 3.47Å; E55-K83 IonicContact OE2-NZ 2.97Å; E55-K83 PolarHBondContact OE2-NZ 3.43Å; K83-G85 WeakPolarHBondContact CE-O 3.27Å; K83-W93 HydrophobicContact CB-CD2 4.33Å; K83-W93 HydrophobicContact CB-CE3 3.79Å; K83-W93 HydrophobicContact CB-CH2 3.91Å; K83-W93 HydrophobicContact CB-CZ2 4.43Å; K83-W93 HydrophobicContact CB-CZ3 3.56Å; K83-W93 HydrophobicContact CD-CH2 3.79Å; K83-W93 HydrophobicContact CD-CZ2 3.85Å; K83-W93 HydrophobicContact CD-CZ3 4.33Å; K83-W93 HydrophobicContact CG-CD2 4.22Å; K83-W93 HydrophobicContact CG-CE3 4.16Å; K83-W93 HydrophobicContact CG-CH2 3.95Å; K83-W93 HydrophobicContact CG-CZ2 3.99Å; K83-W93 HydrophobicContact CG-CZ3 4.03Å; K83-T248 WeakPolarHBondContact CB-O 3.41Å; K83-T248 PolarHBondContact N-O 3.41Å
84	L	89.1	Confident	92.7	Very high	38 Å²	38	23.3 Å²	23.3	20%	0.199	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-38.8	173.5	-69.4	175.5	0	0	0	111	V92 L94 A105 C361	L84-V92 HydrophobicContact CB-CG1 4.29Å; L84-V92 HydrophobicContact CD1-CG1 4.35Å; L84-V92 PolarHBondContact N-O 3.21Å; L84-L94 HydrophobicContact CD1-CB 3.99Å; L84-L94 HydrophobicContact CD1-CD1 4.43Å; L84-L94 HydrophobicContact CD2-CB 3.94Å; L84-L94 HydrophobicContact CG-CB 3.85Å; L84-A105 HydrophobicContact CD1-CB 4.11Å; L84-C361 WeakPolarHBondContact O-CB 3.29Å; L84-C361 PolarHBondContact O-SG 3.43Å
85	G	86.9	Confident	92.7	Very high	5 Å²	5	22.8 Å²	22.8	5%	0.052	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	-170.1	172	0	0	0	0	0	112.8	K83 V92 C361	K83-G85 WeakPolarHBondContact CE-O 3.27Å; G85-V92 PolarHBondContact N-O 3.09Å; G85-V92 PolarHBondContact O-N 3.4Å; G85-C361 VanDerWaalsContact CA-SG 3.52Å
86	W	88.1	Confident	92.7	Very high	44 Å²	44	18.5 Å²	18.5	17%	0.167	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.9	179.6	67.1	-79.2	0	0	0	109.7	E53 Q54 E55 T91 A359 S360	E53-W86 HydrophobicContact CB-CZ2 4.45Å; E53-W86 HydrophobicContact CG-CZ2 4.26Å; E53-W86 PolarHBondContact O-NE1 2.98Å; Q54-W86 VanDerWaalsContact C-CE2 3.5Å; Q54-W86 WeakPolarHBondContact O-CZ2 3.47Å; E55-W86 HydrophobicContact CB-CD2 3.74Å; E55-W86 HydrophobicContact CB-CE3 3.44Å; E55-W86 VanDerWaalsContact CB-CE3 3.44Å; E55-W86 HydrophobicContact CB-CG 4.34Å; E55-W86 HydrophobicContact CB-CH2 4.35Å; E55-W86 HydrophobicContact CB-CZ3 3.78Å; E55-W86 VanDerWaalsContact N-CE2 3.27Å; W86-T91 HydrophobicContact CB-CG2 4.03Å; W86-A359 CarbonylContact O-C 3.59Å; W86-A359 WeakPolarHBondContact O-CA 3.41Å; W86-A359 VanDerWaalsContact O-CB 3.31Å; W86-A359 WeakPolarHBondContact O-CB 3.45Å; W86-S360 PolarHBondContact O-N 3.01Å
87	G	84.8	Confident	92.8	Very high	3 Å²	3	16.1 Å²	16.1	3%	0.031	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	177.4	169.3	0	0	0	0	0	109.1	Y65 F89 S90	Y65-G87 PolarHBondContact OH-O 3.5Å; G87-F89 PolarHBondContact O-N 3.28Å; G87-S90 PolarHBondContact N-O 2.82Å; G87-S90 PolarHBondContact O-N 2.83Å; G87-S90 VanDerWaalsContact O-N 3.16Å
88	H	85.4	Confident	92.7	Very high	73 Å²	73	16.2 Å²	16.2	34%	0.338	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-28.9	-171.6	-179.9	-104.6	0	0	0	114.4	Y65 K110 Y115	Y65-H88 PolarHBondContact OH-O 3.42Å; H88-K110 WeakPolarHBondContact O-CD 3.45Å; H88-K110 WeakPolarHBondContact O-CE 2.99Å; H88-K110 PolarHBondContact O-NZ 3.05Å; H88-Y115 PolarHBondContact CE1-OH 3.04Å; H88-Y115 VanDerWaalsContact CE1-OH 3.27Å
89	F	90.9	Very high	92.6	Very high	90 Å²	90	22.2 Å²	22.2	40%	0.395	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-20.2	-173.9	-48.2	-63.8	0	0	0	114.6	G87 K110 Y115	G87-F89 PolarHBondContact O-N 3.28Å; F89-K110 PolarHBondContact O-N 2.82Å; F89-Y115 AromaticContact CD1-CD1 3.64Å; F89-Y115 HydrophobicContact CD1-CD1 3.64Å; F89-Y115 AromaticContact CD1-CE1 3.34Å; F89-Y115 HydrophobicContact CD1-CE1 3.34Å; F89-Y115 HydrophobicContact CE1-CD1 4.28Å; F89-Y115 AromaticContact CE1-CE1 3.69Å; F89-Y115 HydrophobicContact CE1-CE1 3.69Å
90	S	94.3	Very high	92.6	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.049	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	166.3	-168.8	69.4	0	0	0	0	113.7	G87 K107 V108	G87-S90 PolarHBondContact N-O 2.82Å; G87-S90 PolarHBondContact O-N 2.83Å; G87-S90 VanDerWaalsContact O-N 3.16Å; S90-K107 WeakPolarHBondContact OG-CE 3.31Å; S90-V108 VanDerWaalsContact CA-O 3.26Å; S90-V108 WeakPolarHBondContact CA-O 3.37Å; S90-V108 VanDerWaalsContact CB-O 3.3Å; S90-V108 WeakPolarHBondContact CB-O 3.26Å
91	T	94.8	Very high	92.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.7	167.3	57.3	0	0	0	0	109.9	Y65 W86 W93 K107 V108	Y65-T91 HydrophobicContact CD1-CG2 4Å; Y65-T91 HydrophobicContact CE1-CG2 4.2Å; W86-T91 HydrophobicContact CB-CG2 4.03Å; T91-W93 PolarHBondContact OG1-NE1 3.13Å; T91-K107 CarbonylContact O-C 3.57Å; T91-K107 WeakPolarHBondContact O-CA 3.31Å; T91-V108 PolarHBondContact N-O 3.2Å; T91-V108 PolarHBondContact O-N 3.01Å
92	V	95.6	Very high	92.6	Very high	25 Å²	25	39 Å²	39	15%	0.152	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.6	-176.9	-172.1	0	0	0	0	110.2	L84 G85 A105 L106 K107	L84-V92 HydrophobicContact CB-CG1 4.29Å; L84-V92 HydrophobicContact CD1-CG1 4.35Å; L84-V92 PolarHBondContact N-O 3.21Å; G85-V92 PolarHBondContact N-O 3.09Å; G85-V92 PolarHBondContact O-N 3.4Å; V92-A105 HydrophobicContact CG1-CB 4.15Å; V92-L106 CarbonylContact C-O 3.48Å; V92-L106 WeakPolarHBondContact CA-O 3.33Å; V92-K107 HydrophobicContact CG2-CB 4.31Å; V92-K107 HydrophobicContact CG2-CG 4.24Å
93	W	96.2	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.1	-169.8	-61.3	82.9	0	0	0	112.1	V68 I70 V80 R82 K83 T91 C95 A105 L106	V68-W93 HydrophobicContact CB-CD2 4.11Å; V68-W93 HydrophobicContact CB-CH2 4.14Å; V68-W93 HydrophobicContact CB-CZ2 3.55Å; V68-W93 HydrophobicContact CG1-CD2 3.59Å; V68-W93 HydrophobicContact CG1-CE3 3.93Å; V68-W93 HydrophobicContact CG1-CG 4.07Å; V68-W93 HydrophobicContact CG1-CH2 4.2Å; V68-W93 HydrophobicContact CG1-CZ2 3.9Å; V68-W93 HydrophobicContact CG1-CZ3 4.21Å; V68-W93 HydrophobicContact CG2-CZ2 4.28Å; I70-W93 HydrophobicContact CD1-CE3 4.01Å; I70-W93 HydrophobicContact CD1-CZ3 3.6Å; V80-W93 HydrophobicContact CG1-CB 4.39Å; V80-W93 HydrophobicContact CG1-CD2 4.31Å; V80-W93 HydrophobicContact CG1-CE3 3.68Å; V80-W93 HydrophobicContact CG1-CZ3 4.4Å; R82-W93 CarbonylContact O-C 3.59Å; K83-W93 HydrophobicContact CB-CD2 4.33Å; K83-W93 HydrophobicContact CB-CE3 3.79Å; K83-W93 HydrophobicContact CB-CH2 3.91Å; K83-W93 HydrophobicContact CB-CZ2 4.43Å; K83-W93 HydrophobicContact CB-CZ3 3.56Å; K83-W93 HydrophobicContact CD-CH2 3.79Å; K83-W93 HydrophobicContact CD-CZ2 3.85Å; K83-W93 HydrophobicContact CD-CZ3 4.33Å; K83-W93 HydrophobicContact CG-CD2 4.22Å; K83-W93 HydrophobicContact CG-CE3 4.16Å; K83-W93 HydrophobicContact CG-CH2 3.95Å; K83-W93 HydrophobicContact CG-CZ2 3.99Å; K83-W93 HydrophobicContact CG-CZ3 4.03Å; T91-W93 PolarHBondContact OG1-NE1 3.13Å; W93-C95 PolarHBondContact O-N 2.95Å; W93-A105 CarbonylContact O-C 3.22Å; W93-A105 WeakPolarHBondContact O-CA 3.39Å; W93-L106 HydrophobicContact CB-CB 4.44Å; W93-L106 PolarHBondContact N-O 3.42Å; W93-L106 PolarHBondContact O-N 2.94Å
94	L	96.5	Very high	93.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.6	168.3	-175.4	64.1	0	0	0	108.3	V81 R82 L84 F103 V165 I226 A230	V81-L94 WeakPolarHBondContact CA-O 3.36Å; V81-L94 HydrophobicContact CB-CB 4.42Å; V81-L94 HydrophobicContact CB-CD2 4.33Å; V81-L94 HydrophobicContact CB-CG 4.26Å; V81-L94 WeakPolarHBondContact CB-O 3.11Å; V81-L94 HydrophobicContact CG1-CD2 4.33Å; V81-L94 PolarHBondContact N-O 2.99Å; R82-L94 HydrophobicContact CG-CB 3.62Å; R82-L94 HydrophobicContact CG-CD2 3.74Å; R82-L94 HydrophobicContact CG-CG 4.29Å; R82-L94 PolarHBondContact N-O 2.91Å; R82-L94 PolarHBondContact O-N 2.76Å; L84-L94 HydrophobicContact CD1-CB 3.99Å; L84-L94 HydrophobicContact CD1-CD1 4.43Å; L84-L94 HydrophobicContact CD2-CB 3.94Å; L84-L94 HydrophobicContact CG-CB 3.85Å; L94-F103 HydrophobicContact CD1-CB 4.01Å; L94-F103 HydrophobicContact CD1-CD1 3.99Å; L94-F103 HydrophobicContact CD1-CG 4.31Å; L94-F103 HydrophobicContact CD2-CD1 4.28Å; L94-F103 HydrophobicContact CG-CD1 4.07Å; L94-V165 HydrophobicContact CD1-CG1 4.2Å; L94-V165 HydrophobicContact CD1-CG2 3.7Å; L94-I226 HydrophobicContact CD1-CG2 4.04Å; L94-A230 HydrophobicContact CD2-CB 4.44Å
95	C	96.9	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.9	178.3	-65.1	0	0	0	0	110.9	H79 W93 F103 V104 L106	H79-C95 CarbonylContact O-C 3.49Å; H79-C95 WeakPolarHBondContact O-CA 3.42Å; W93-C95 PolarHBondContact O-N 2.95Å; C95-F103 WeakPolarHBondContact O-CA 3.45Å; C95-V104 HydrophobicContact CB-CG2 3.85Å; C95-V104 PolarHBondContact N-O 3.19Å; C95-V104 PolarHBondContact O-N 2.87Å; C95-L106 HydrophobicContact CB-CB 4.49Å; C95-L106 VanDerWaalsContact SG-CB 3.56Å
96	W	96.3	Very high	94.3	Very high	3 Å²	3	38 Å²	38	1%	0.011	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120	167.9	177.7	-108.6	0	0	0	109.3	H79 V81 I98 K101 F103 R283 D286 L287 L290	H79-W96 HydrophobicContact CB-CB 4.41Å; H79-W96 PolarHBondContact N-O 3.42Å; H79-W96 PolarHBondContact O-N 3.44Å; V81-W96 HydrophobicContact CG2-CB 4.21Å; W96-I98 PolarHBondContact O-N 2.95Å; W96-K101 HydrophobicContact CH2-CB 4.22Å; W96-K101 WeakPolarHBondContact CH2-O 3.31Å; W96-K101 HydrophobicContact CZ2-CB 4.01Å; W96-K101 HydrophobicContact CZ2-CD 4.05Å; W96-F103 HydrophobicContact CB-CE1 4.49Å; W96-F103 AromaticContact CE3-CD1 3.94Å; W96-F103 HydrophobicContact CE3-CD1 3.94Å; W96-F103 HydrophobicContact CE3-CD2 4.07Å; W96-F103 AromaticContact CE3-CE1 3.77Å; W96-F103 HydrophobicContact CE3-CE1 3.77Å; W96-F103 AromaticContact CE3-CE2 3.91Å; W96-F103 HydrophobicContact CE3-CE2 3.91Å; W96-F103 HydrophobicContact CE3-CG 4.09Å; W96-F103 AromaticContact CE3-CZ 3.75Å; W96-F103 HydrophobicContact CE3-CZ 3.75Å; W96-F103 AromaticContact CZ3-CD2 4Å; W96-F103 HydrophobicContact CZ3-CD2 4Å; W96-F103 HydrophobicContact CZ3-CE1 4.49Å; W96-F103 AromaticContact CZ3-CE2 3.8Å; W96-F103 HydrophobicContact CZ3-CE2 3.8Å; W96-F103 HydrophobicContact CZ3-CG 4.44Å; W96-F103 HydrophobicContact CZ3-CZ 4.05Å; W96-R283 HydrophobicContact CB-CG 4.41Å; W96-R283 HydrophobicContact CD2-CG 3.97Å; W96-R283 HydrophobicContact CG-CG 3.87Å; W96-D286 HydrophobicContact CH2-CB 4.37Å; W96-D286 HydrophobicContact CZ2-CB 3.69Å; W96-L287 HydrophobicContact CH2-CD2 4.21Å; W96-L287 HydrophobicContact CZ3-CD2 3.95Å; W96-L290 HydrophobicContact CH2-CD1 3.77Å; W96-L290 HydrophobicContact CZ3-CD1 4.43Å
97	D	96.8	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	102.7	171.2	-178.2	-14.6	0	0	0	109.3	R77 Y78 Q99 R100 K101 R102 V104	R77-D97 WeakPolarHBondContact CG-OD1 3.19Å; R77-D97 IonicContact CZ-OD1 3.22Å; R77-D97 IonicContact CZ-OD2 3.69Å; R77-D97 VanDerWaalsContact CZ-OD2 3.31Å; R77-D97 VanDerWaalsContact NE-CG 3.3Å; R77-D97 IonicContact NE-OD1 2.73Å; R77-D97 PolarHBondContact NE-OD1 2.92Å; R77-D97 IonicContact NE-OD2 3.58Å; R77-D97 PolarHBondContact NE-OD2 3.38Å; R77-D97 VanDerWaalsContact NE-OD2 3.16Å; R77-D97 IonicContact NH2-OD1 3.61Å; R77-D97 IonicContact NH2-OD2 2.7Å; R77-D97 PolarHBondContact NH2-OD2 2.9Å; Y78-D97 HydrophobicContact CD1-CB 4.28Å; Y78-D97 HydrophobicContact CE1-CB 4.14Å; D97-Q99 PolarHBondContact O-N 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.25Å; D97-R100 PolarHBondContact OD1-N 2.88Å; D97-R100 VanDerWaalsContact OD1-N 3.11Å; D97-R100 WeakPolarHBondContact OD2-CB 3.27Å; D97-R100 WeakPolarHBondContact OD2-CG 3.48Å; D97-K101 WeakPolarHBondContact O-CA 3.33Å; D97-K101 PolarHBondContact O-N 3.23Å; D97-R102 HydrophobicContact CB-CG 4.29Å; D97-R102 WeakPolarHBondContact CB-O 3.26Å; D97-R102 PolarHBondContact N-O 3.06Å; D97-V104 HydrophobicContact CB-CG1 4.29Å
98	I	94.9	Very high	95.4	Very high	37 Å²	37	36.9 Å²	36.9	19%	0.19	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.3	-175.5	70.4	-174.7	0	0	0	113.4	L73 G76 R77 H79 W96 K101	L73-I98 HydrophobicContact CD1-CD1 4.45Å; G76-I98 VanDerWaalsContact O-CD1 3.31Å; G76-I98 WeakPolarHBondContact O-CD1 3.42Å; R77-I98 WeakPolarHBondContact O-CG1 3.49Å; R77-I98 PolarHBondContact O-N 3.29Å; R77-I98 VanDerWaalsContact O-N 3.12Å; H79-I98 HydrophobicContact CB-CG2 4.38Å; W96-I98 PolarHBondContact O-N 2.95Å; I98-K101 WeakPolarHBondContact O-CD 3.26Å; I98-K101 WeakPolarHBondContact O-CE 3.33Å; I98-K101 PolarHBondContact O-NZ 3.44Å
99	Q	94.8	Very high	96	Very high	125 Å²	125	33.7 Å²	33.7	58%	0.584	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-48.9	-177.4	-67.5	-179.8	2.8	0	0	110.9	R77 D97	R77-Q99 HydrophobicContact CG-CB 4.44Å; R77-Q99 HydrophobicContact CG-CG 4.02Å; D97-Q99 PolarHBondContact O-N 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.25Å
100	R	94.9	Very high	96.2	Very high	181 Å²	181	29.6 Å²	29.6	68%	0.683	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.8	-178.1	-61.8	-69.3	-173	162.3	2	113.7	D97 R102	D97-R100 PolarHBondContact OD1-N 2.88Å; D97-R100 VanDerWaalsContact OD1-N 3.11Å; D97-R100 WeakPolarHBondContact OD2-CB 3.27Å; D97-R100 WeakPolarHBondContact OD2-CG 3.48Å; R100-R102 HydrophobicContact CB-CG 4.11Å; R100-R102 PolarHBondContact O-N 3.29Å
101	K	93.5	Very high	96.4	Very high	66 Å²	66	30 Å²	30	29%	0.287	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	47.2	178.8	-51.9	-57.1	-172.3	-178.6	0	112.5	W96 D97 I98 E282 D286	W96-K101 HydrophobicContact CH2-CB 4.22Å; W96-K101 WeakPolarHBondContact CH2-O 3.31Å; W96-K101 HydrophobicContact CZ2-CB 4.01Å; W96-K101 HydrophobicContact CZ2-CD 4.05Å; D97-K101 WeakPolarHBondContact O-CA 3.33Å; D97-K101 PolarHBondContact O-N 3.23Å; I98-K101 WeakPolarHBondContact O-CD 3.26Å; I98-K101 WeakPolarHBondContact O-CE 3.33Å; I98-K101 PolarHBondContact O-NZ 3.44Å; K101-E282 IonicContact NZ-OE1 3.24Å; K101-D286 HydrophobicContact CD-CB 4.45Å; K101-D286 VanDerWaalsContact CD-OD2 3.29Å; K101-D286 WeakPolarHBondContact CD-OD2 3.44Å; K101-D286 VanDerWaalsContact CE-OD2 3.28Å; K101-D286 WeakPolarHBondContact CE-OD2 3.46Å; K101-D286 IonicContact NZ-OD1 2.71Å; K101-D286 IonicContact NZ-OD2 3.63Å; K101-D286 PolarHBondContact NZ-OD2 3.15Å
102	R	94.2	Very high	96.5	Very high	112 Å²	112	31 Å²	31	42%	0.423	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.3	178.2	68.7	176.1	-178.5	171.1	-2.5	112	D97 R100 V104	D97-R102 HydrophobicContact CB-CG 4.29Å; D97-R102 WeakPolarHBondContact CB-O 3.26Å; D97-R102 PolarHBondContact N-O 3.06Å; R100-R102 HydrophobicContact CB-CG 4.11Å; R100-R102 PolarHBondContact O-N 3.29Å; R102-V104 HydrophobicContact CG-CG1 4.29Å
103	F	96.5	Very high	96.4	Very high	23 Å²	23	32.1 Å²	32.1	10%	0.101	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.2	170	-69.9	-77.4	0	0	0	111.6	V81 L94 C95 W96 V165 I226 R227 A230 L287	V81-F103 HydrophobicContact CG2-CE1 4.23Å; L94-F103 HydrophobicContact CD1-CB 4.01Å; L94-F103 HydrophobicContact CD1-CD1 3.99Å; L94-F103 HydrophobicContact CD1-CG 4.31Å; L94-F103 HydrophobicContact CD2-CD1 4.28Å; L94-F103 HydrophobicContact CG-CD1 4.07Å; C95-F103 WeakPolarHBondContact O-CA 3.45Å; W96-F103 HydrophobicContact CB-CE1 4.49Å; W96-F103 AromaticContact CE3-CD1 3.94Å; W96-F103 HydrophobicContact CE3-CD1 3.94Å; W96-F103 HydrophobicContact CE3-CD2 4.07Å; W96-F103 AromaticContact CE3-CE1 3.77Å; W96-F103 HydrophobicContact CE3-CE1 3.77Å; W96-F103 AromaticContact CE3-CE2 3.91Å; W96-F103 HydrophobicContact CE3-CE2 3.91Å; W96-F103 HydrophobicContact CE3-CG 4.09Å; W96-F103 AromaticContact CE3-CZ 3.75Å; W96-F103 HydrophobicContact CE3-CZ 3.75Å; W96-F103 AromaticContact CZ3-CD2 4Å; W96-F103 HydrophobicContact CZ3-CD2 4Å; W96-F103 HydrophobicContact CZ3-CE1 4.49Å; W96-F103 AromaticContact CZ3-CE2 3.8Å; W96-F103 HydrophobicContact CZ3-CE2 3.8Å; W96-F103 HydrophobicContact CZ3-CG 4.44Å; W96-F103 HydrophobicContact CZ3-CZ 4.05Å; F103-V165 HydrophobicContact CB-CG2 4.02Å; F103-I226 HydrophobicContact CB-CG2 3.56Å; F103-I226 HydrophobicContact CD1-CG2 4.23Å; F103-I226 HydrophobicContact CD2-CB 4.44Å; F103-I226 HydrophobicContact CD2-CG2 3.56Å; F103-I226 HydrophobicContact CE2-CG2 4.3Å; F103-I226 HydrophobicContact CG-CG2 3.51Å; F103-R227 HydrophobicContact CE2-CG 4.09Å; F103-A230 HydrophobicContact CE1-CB 3.45Å; F103-A230 VanDerWaalsContact CE1-CB 3.45Å; F103-A230 HydrophobicContact CE2-CB 4.22Å; F103-A230 HydrophobicContact CZ-CB 3.26Å; F103-L287 HydrophobicContact CE2-CD2 3.67Å; F103-L287 HydrophobicContact CZ-CD1 4.37Å; F103-L287 HydrophobicContact CZ-CD2 3.82Å
104	V	98	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.6	178	-60.9	0	0	0	0	110.3	Y78 C95 D97 R102 I146 V162 V165	Y78-V104 HydrophobicContact CD1-CG2 3.71Å; Y78-V104 HydrophobicContact CE1-CG2 3.99Å; C95-V104 HydrophobicContact CB-CG2 3.85Å; C95-V104 PolarHBondContact N-O 3.19Å; C95-V104 PolarHBondContact O-N 2.87Å; D97-V104 HydrophobicContact CB-CG1 4.29Å; R102-V104 HydrophobicContact CG-CG1 4.29Å; V104-I146 HydrophobicContact CB-CD1 4.41Å; V104-I146 HydrophobicContact CG1-CD1 3.76Å; V104-V162 HydrophobicContact CB-CG1 3.62Å; V104-V162 HydrophobicContact CG1-CG1 3.99Å; V104-V162 HydrophobicContact CG2-CG1 3.61Å; V104-V165 VanDerWaalsContact C-CG2 3.43Å
105	A	98.2	Very high	96.1	Very high	8 Å²	8	38.9 Å²	38.9	7%	0.066	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.4	170.2	0	0	0	0	0	109.6	L84 V92 W93 V162 L163	L84-A105 HydrophobicContact CD1-CB 4.11Å; V92-A105 HydrophobicContact CG1-CB 4.15Å; W93-A105 CarbonylContact O-C 3.22Å; W93-A105 WeakPolarHBondContact O-CA 3.39Å; A105-V162 CarbonylContact O-C 3.44Å; A105-V162 WeakPolarHBondContact O-CA 3.48Å; A105-L163 HydrophobicContact CB-CB 4.42Å; A105-L163 PolarHBondContact N-O 3.42Å; A105-L163 PolarHBondContact O-N 2.64Å
106	L	98.3	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.5	177.1	177.4	68	0	0	0	109.5	F74 V92 W93 C95 V108 F149 C160 M161 V162	F74-L106 HydrophobicContact CB-CD2 4.29Å; F74-L106 HydrophobicContact CD2-CD2 3.46Å; F74-L106 VanDerWaalsContact CD2-CD2 3.46Å; F74-L106 HydrophobicContact CE2-CD2 3.97Å; F74-L106 HydrophobicContact CG-CD2 4.02Å; V92-L106 CarbonylContact C-O 3.48Å; V92-L106 WeakPolarHBondContact CA-O 3.33Å; W93-L106 HydrophobicContact CB-CB 4.44Å; W93-L106 PolarHBondContact N-O 3.42Å; W93-L106 PolarHBondContact O-N 2.94Å; C95-L106 HydrophobicContact CB-CB 4.49Å; C95-L106 VanDerWaalsContact SG-CB 3.56Å; L106-V108 HydrophobicContact CD2-CG2 4.2Å; L106-V108 HydrophobicContact CG-CG2 4Å; L106-F149 HydrophobicContact CD1-CE1 4.08Å; L106-F149 HydrophobicContact CD1-CZ 3.69Å; L106-C160 HydrophobicContact CD1-CB 4.04Å; L106-M161 WeakPolarHBondContact CA-O 3.31Å; L106-V162 HydrophobicContact CD1-CG2 3.89Å
107	K	97.8	Very high	96	Very high	23 Å²	23	46.3 Å²	46.3	10%	0.1	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.7	172.9	-177.6	174.9	175	-173.4	0	108.9	S90 T91 V92 E122 C160 M161 L163 D407	S90-K107 WeakPolarHBondContact OG-CE 3.31Å; T91-K107 CarbonylContact O-C 3.57Å; T91-K107 WeakPolarHBondContact O-CA 3.31Å; V92-K107 HydrophobicContact CG2-CB 4.31Å; V92-K107 HydrophobicContact CG2-CG 4.24Å; K107-E122 VanDerWaalsContact NZ-CD 3.32Å; K107-E122 IonicContact NZ-OE1 2.57Å; K107-E122 PolarHBondContact NZ-OE1 2.86Å; K107-E122 IonicContact NZ-OE2 3.81Å; K107-E122 PolarHBondContact NZ-OE2 2.95Å; K107-C160 VanDerWaalsContact O-CA 3.31Å; K107-C160 WeakPolarHBondContact O-CA 3.47Å; K107-M161 HydrophobicContact CB-CB 4.35Å; K107-M161 HydrophobicContact CD-CE 3.64Å; K107-M161 HydrophobicContact CG-CE 4.04Å; K107-M161 PolarHBondContact N-O 3.24Å; K107-M161 PolarHBondContact O-N 2.93Å; K107-L163 HydrophobicContact CB-CD1 4.46Å; K107-D407 IonicContact NZ-OD1 2.88Å
108	V	97.9	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.1	178.6	-173.2	0	0	0	0	109.1	Y66 V68 S90 T91 L106 I151 H158	Y66-V108 HydrophobicContact CG-CG1 4.33Å; V68-V108 HydrophobicContact CG2-CG2 4.15Å; S90-V108 VanDerWaalsContact CA-O 3.26Å; S90-V108 WeakPolarHBondContact CA-O 3.37Å; S90-V108 VanDerWaalsContact CB-O 3.3Å; S90-V108 WeakPolarHBondContact CB-O 3.26Å; T91-V108 PolarHBondContact N-O 3.2Å; T91-V108 PolarHBondContact O-N 3.01Å; L106-V108 HydrophobicContact CD2-CG2 4.2Å; L106-V108 HydrophobicContact CG-CG2 4Å; V108-I151 HydrophobicContact CG1-CD1 3.93Å; V108-H158 HydrophobicContact CG1-CB 4.15Å
109	V	97.6	Very high	95.9	Very high	6 Å²	6	48 Å²	48	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.4	-174	-173.3	0	0	0	0	111.1	A119 H158 V159 M161	V109-A119 HydrophobicContact CB-CB 4.28Å; V109-A119 HydrophobicContact CG1-CB 4.07Å; V109-A119 HydrophobicContact CG2-CB 3.86Å; V109-H158 WeakPolarHBondContact O-CB 3.3Å; V109-H158 PolarHBondContact O-ND1 2.74Å; V109-V159 PolarHBondContact N-O 3.4Å; V109-M161 HydrophobicContact CG2-CE 3.67Å
110	K	96.8	Very high	96	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.022	22%	0.219	C	C	.	.			trans	-54.7	153.7	168.1	-73.4	-174	174.1	173.4	0	111.2	D59 G64 Y65 H88 F89 Y115	D59-K110 IonicContact OD2-NZ 2.76Å; D59-K110 PolarHBondContact OD2-NZ 3.21Å; G64-K110 VanDerWaalsContact O-CA 3.3Å; G64-K110 WeakPolarHBondContact O-CA 3.49Å; Y65-K110 HydrophobicContact CD1-CD 4.3Å; Y65-K110 HydrophobicContact CD1-CG 3.65Å; Y65-K110 HydrophobicContact CE1-CD 4.15Å; Y65-K110 HydrophobicContact CE1-CG 3.88Å; Y65-K110 HydrophobicContact CG-CG 4.19Å; Y65-K110 WeakPolarHBondContact OH-CE 3.44Å; H88-K110 WeakPolarHBondContact O-CD 3.45Å; H88-K110 WeakPolarHBondContact O-CE 2.99Å; H88-K110 PolarHBondContact O-NZ 3.05Å; F89-K110 PolarHBondContact O-N 2.82Å; K110-Y115 HydrophobicContact CB-CD2 3.39Å; K110-Y115 HydrophobicContact CB-CE2 3.95Å; K110-Y115 HydrophobicContact CB-CG 4.04Å; K110-Y115 HydrophobicContact CD-CD2 4.03Å; K110-Y115 HydrophobicContact CD-CE2 3.67Å; K110-Y115 HydrophobicContact CG-CD2 4.32Å; K110-Y115 HydrophobicContact CG-CE2 4.45Å
111	S	97.4	Very high	96.1	Very high	16 Å²	16	37.3 Å²	37.3	11%	0.112	20%	0.197	C	C	.	.			trans	-94.6	-2.6	-169.5	50.2	0	0	0	0	115.6	G63 G64 N155 V157 H158	G63-S111 VanDerWaalsContact C-OG 3.26Å; G63-S111 WeakPolarHBondContact CA-OG 3.16Å; G63-S111 PolarHBondContact N-OG 3.3Å; G63-S111 PolarHBondContact O-N 3.33Å; G63-S111 VanDerWaalsContact O-N 3.13Å; G64-S111 PolarHBondContact O-N 3.22Å; G64-S111 VanDerWaalsContact O-N 3.09Å; G64-S111 PolarHBondContact O-OG 3.06Å; S111-N155 PolarHBondContact OG-O 2.88Å; S111-V157 WeakPolarHBondContact CB-O 3.47Å; S111-H158 VanDerWaalsContact CB-CE1 3.46Å; S111-H158 WeakPolarHBondContact CB-CE1 3.4Å; S111-H158 PolarHBondContact OG-CE1 3.05Å
112	A	96.9	Very high	96.3	Very high	22 Å²	22	34.9 Å²	34.9	18%	0.182	19%	0.187	C	C	.	.	S	Bend	trans	-62.8	153.1	175.8	0	0	0	0	0	110.7	G63 H114 Y115 T116	G63-A112 WeakPolarHBondContact O-CB 3.47Å; G63-A112 PolarHBondContact O-N 3.1Å; A112-H114 PolarHBondContact O-N 3.04Å; A112-Y115 HydrophobicContact CB-CD2 3.61Å; A112-Y115 HydrophobicContact CB-CE2 4.03Å; A112-Y115 PolarHBondContact O-N 3.07Å; A112-T116 WeakPolarHBondContact O-CB 3.36Å; A112-T116 PolarHBondContact O-N 2.82Å; A112-T116 PolarHBondContact O-OG1 2.86Å
113	G	94.8	Very high	96.5	Very high	47 Å²	47	30.1 Å²	30.1	49%	0.485	17%	0.169	S	C	.	.	H	α-helix	trans	-55.9	-50.6	-172.7	0	0	0	0	0	112.7	Y115 T116 E117	G113-Y115 PolarHBondContact O-N 3.37Å; G113-T116 WeakPolarHBondContact O-CB 3.35Å; G113-T116 PolarHBondContact O-N 3.32Å; G113-T116 VanDerWaalsContact O-N 3.1Å; G113-E117 WeakPolarHBondContact O-CG 3.13Å; G113-E117 PolarHBondContact O-N 3.02Å
114	H	92.3	Very high	96.6	Very high	102 Å²	102	34.1 Å²	34.1	47%	0.472	19%	0.187	S	C	.	.	H	α-helix	trans	-61.9	-42.1	-179.5	62.4	-67.5	0	0	0	112.7	A112 T116 E117 T118	A112-H114 PolarHBondContact O-N 3.04Å; H114-T116 VanDerWaalsContact C-N 3.31Å; H114-T116 PolarHBondContact O-N 2.91Å; H114-E117 PolarHBondContact O-N 2.95Å; H114-T118 PolarHBondContact O-N 2.92Å; H114-T118 PolarHBondContact O-OG1 2.88Å; H114-T118 VanDerWaalsContact O-OG1 3.06Å
115	Y	93.9	Very high	96.6	Very high	41 Å²	41	34.2 Å²	34.2	16%	0.161	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-36.5	174.9	-58.2	-44.8	0	0	0	112.5	H88 F89 K110 A112 G113 A119	H88-Y115 PolarHBondContact CE1-OH 3.04Å; H88-Y115 VanDerWaalsContact CE1-OH 3.27Å; F89-Y115 AromaticContact CD1-CD1 3.64Å; F89-Y115 HydrophobicContact CD1-CD1 3.64Å; F89-Y115 AromaticContact CD1-CE1 3.34Å; F89-Y115 HydrophobicContact CD1-CE1 3.34Å; F89-Y115 HydrophobicContact CE1-CD1 4.28Å; F89-Y115 AromaticContact CE1-CE1 3.69Å; F89-Y115 HydrophobicContact CE1-CE1 3.69Å; K110-Y115 HydrophobicContact CB-CD2 3.39Å; K110-Y115 HydrophobicContact CB-CE2 3.95Å; K110-Y115 HydrophobicContact CB-CG 4.04Å; K110-Y115 HydrophobicContact CD-CD2 4.03Å; K110-Y115 HydrophobicContact CD-CE2 3.67Å; K110-Y115 HydrophobicContact CG-CD2 4.32Å; K110-Y115 HydrophobicContact CG-CE2 4.45Å; A112-Y115 HydrophobicContact CB-CD2 3.61Å; A112-Y115 HydrophobicContact CB-CE2 4.03Å; A112-Y115 PolarHBondContact O-N 3.07Å; G113-Y115 PolarHBondContact O-N 3.37Å; Y115-A119 VanDerWaalsContact O-CB 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.23Å; Y115-A119 PolarHBondContact O-N 2.86Å
116	T	95.1	Very high	96.6	Very high	23 Å²	23	34 Å²	34	14%	0.141	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-41	178.1	-63.5	0	0	0	0	111.5	A112 G113 H114 V120 V159	A112-T116 WeakPolarHBondContact O-CB 3.36Å; A112-T116 PolarHBondContact O-N 2.82Å; A112-T116 PolarHBondContact O-OG1 2.86Å; G113-T116 WeakPolarHBondContact O-CB 3.35Å; G113-T116 PolarHBondContact O-N 3.32Å; G113-T116 VanDerWaalsContact O-N 3.1Å; H114-T116 VanDerWaalsContact C-N 3.31Å; H114-T116 PolarHBondContact O-N 2.91Å; T116-V120 VanDerWaalsContact O-CG2 3.26Å; T116-V120 WeakPolarHBondContact O-CG2 3.26Å; T116-V120 PolarHBondContact O-N 3.27Å; T116-V120 VanDerWaalsContact O-N 3.1Å; T116-V159 HydrophobicContact CG2-CG2 3.86Å
117	E	94.3	Very high	96.6	Very high	135 Å²	135	37.2 Å²	37.2	63%	0.631	20%	0.199	S	C	*	.	H	α-helix	trans	-64.9	-50.8	177.6	-73	170.4	-167.3	0	0	111.1	G113 H114 A119 V120 D121	G113-E117 WeakPolarHBondContact O-CG 3.13Å; G113-E117 PolarHBondContact O-N 3.02Å; H114-E117 PolarHBondContact O-N 2.95Å; E117-A119 VanDerWaalsContact C-N 3.31Å; E117-A119 PolarHBondContact O-N 3.12Å; E117-V120 WeakPolarHBondContact O-CB 3.43Å; E117-V120 PolarHBondContact O-N 2.9Å; E117-D121 PolarHBondContact O-N 2.92Å
118	T	94.3	Very high	96.7	Very high	70 Å²	70	37.5 Å²	37.5	43%	0.429	20%	0.203	S	C	.	.	H	α-helix	trans	-56.6	-43.7	175.9	-53.8	0	0	0	0	111.8	H114 V120 D121 E122 G409	H114-T118 PolarHBondContact O-N 2.92Å; H114-T118 PolarHBondContact O-OG1 2.88Å; H114-T118 VanDerWaalsContact O-OG1 3.06Å; T118-V120 VanDerWaalsContact C-N 3.31Å; T118-V120 PolarHBondContact O-N 3.01Å; T118-D121 PolarHBondContact O-N 2.9Å; T118-E122 PolarHBondContact O-N 3.47Å; T118-G409 WeakPolarHBondContact CG2-O 3.13Å
119	A	96.2	Very high	96.7	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-32.8	177.8	0	0	0	0	0	113.4	V109 Y115 E117 I123 V159 M161	V109-A119 HydrophobicContact CB-CB 4.28Å; V109-A119 HydrophobicContact CG1-CB 4.07Å; V109-A119 HydrophobicContact CG2-CB 3.86Å; Y115-A119 VanDerWaalsContact O-CB 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.23Å; Y115-A119 PolarHBondContact O-N 2.86Å; E117-A119 VanDerWaalsContact C-N 3.31Å; E117-A119 PolarHBondContact O-N 3.12Å; A119-I123 WeakPolarHBondContact O-CD1 3.44Å; A119-I123 VanDerWaalsContact O-CG1 3.29Å; A119-I123 WeakPolarHBondContact O-CG1 3.36Å; A119-I123 PolarHBondContact O-N 2.8Å; A119-V159 HydrophobicContact CB-CB 4.07Å; A119-V159 HydrophobicContact CB-CG1 3.99Å; A119-V159 HydrophobicContact CB-CG2 4.48Å; A119-M161 HydrophobicContact CB-CE 4.42Å
120	V	97.6	Very high	96.7	Very high	39 Å²	39	40.7 Å²	40.7	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-38	175.5	167.6	0	0	0	0	110.9	T116 E117 T118 I123 K124 V159	T116-V120 VanDerWaalsContact O-CG2 3.26Å; T116-V120 WeakPolarHBondContact O-CG2 3.26Å; T116-V120 PolarHBondContact O-N 3.27Å; T116-V120 VanDerWaalsContact O-N 3.1Å; E117-V120 WeakPolarHBondContact O-CB 3.43Å; E117-V120 PolarHBondContact O-N 2.9Å; T118-V120 VanDerWaalsContact C-N 3.31Å; T118-V120 PolarHBondContact O-N 3.01Å; V120-I123 PolarHBondContact O-N 3.16Å; V120-K124 WeakPolarHBondContact O-CG 3.28Å; V120-K124 PolarHBondContact O-N 2.83Å; V120-V159 HydrophobicContact CG2-CG2 4.4Å
121	D	96.1	Very high	96.7	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-70.5	-39.2	175.1	-71.5	-27.4	0	0	0	111.9	E117 T118 I123 K124 L125 F418	E117-D121 PolarHBondContact O-N 2.92Å; T118-D121 PolarHBondContact O-N 2.9Å; D121-I123 VanDerWaalsContact C-N 3.31Å; D121-I123 PolarHBondContact O-N 3.35Å; D121-K124 WeakPolarHBondContact O-CB 3.47Å; D121-K124 PolarHBondContact O-N 2.92Å; D121-K124 IonicContact OD1-NZ 3.78Å; D121-K124 PolarHBondContact OD1-NZ 2.54Å; D121-L125 WeakPolarHBondContact O-CG 3.46Å; D121-L125 PolarHBondContact O-N 2.96Å; D121-F418 HydrophobicContact CB-CE2 4.43Å; D121-F418 HydrophobicContact CB-CZ 4.18Å
122	E	97.6	Very high	96.7	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.065	25%	0.248	C	C	.	.	H	α-helix	trans	-55.2	-44.9	170.3	-173.1	-177.3	172.3	0	0	111.1	K107 T118 K124 L125 L126 M161 L408	K107-E122 VanDerWaalsContact NZ-CD 3.32Å; K107-E122 IonicContact NZ-OE1 2.57Å; K107-E122 PolarHBondContact NZ-OE1 2.86Å; K107-E122 IonicContact NZ-OE2 3.81Å; K107-E122 PolarHBondContact NZ-OE2 2.95Å; T118-E122 PolarHBondContact O-N 3.47Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.34Å; E122-L125 PolarHBondContact O-N 3.32Å; E122-L126 HydrophobicContact CG-CD1 4.01Å; E122-L126 HydrophobicContact CG-CG 4.5Å; E122-L126 WeakPolarHBondContact O-CB 3.12Å; E122-L126 WeakPolarHBondContact O-CG 3.43Å; E122-L126 PolarHBondContact O-N 3.4Å; E122-M161 HydrophobicContact CG-SD 4.21Å; E122-M161 WeakPolarHBondContact OE2-CE 3.18Å; E122-L408 HydrophobicContact CG-CB 4.42Å
123	I	98.5	Very high	96.8	Very high	12 Å²	12	47 Å²	47	6%	0.062	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-40.1	175.7	-73.7	164.1	0	0	0	111.8	A119 V120 D121 K127 L145 D148 V159 M161	A119-I123 WeakPolarHBondContact O-CD1 3.44Å; A119-I123 VanDerWaalsContact O-CG1 3.29Å; A119-I123 WeakPolarHBondContact O-CG1 3.36Å; A119-I123 PolarHBondContact O-N 2.8Å; V120-I123 PolarHBondContact O-N 3.16Å; D121-I123 VanDerWaalsContact C-N 3.31Å; D121-I123 PolarHBondContact O-N 3.35Å; I123-K127 HydrophobicContact CG2-CD 3.92Å; I123-K127 HydrophobicContact CG2-CG 4.41Å; I123-K127 WeakPolarHBondContact O-CB 2.96Å; I123-K127 VanDerWaalsContact O-CG 3.28Å; I123-K127 WeakPolarHBondContact O-CG 3.28Å; I123-K127 PolarHBondContact O-N 2.73Å; I123-L145 HydrophobicContact CG2-CD2 4.11Å; I123-D148 HydrophobicContact CD1-CB 3.89Å; I123-D148 HydrophobicContact CG1-CB 4.29Å; I123-D148 HydrophobicContact CG2-CB 4.36Å; I123-V159 HydrophobicContact CD1-CG1 3.45Å; I123-V159 VanDerWaalsContact CD1-CG1 3.45Å; I123-M161 HydrophobicContact CD1-CG 3.91Å; I123-M161 HydrophobicContact CD1-SD 4.48Å; I123-M161 HydrophobicContact CG1-CG 3.64Å; I123-M161 HydrophobicContact CG1-SD 3.83Å
124	K	98.5	Very high	96.8	Very high	108 Å²	108	48.5 Å²	48.5	47%	0.47	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-43.2	178.3	-68.2	170	-165.8	157.2	0	111.1	V120 D121 E122 K127 C128	V120-K124 WeakPolarHBondContact O-CG 3.28Å; V120-K124 PolarHBondContact O-N 2.83Å; D121-K124 WeakPolarHBondContact O-CB 3.47Å; D121-K124 PolarHBondContact O-N 2.92Å; D121-K124 IonicContact OD1-NZ 3.78Å; D121-K124 PolarHBondContact OD1-NZ 2.54Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.34Å; K124-K127 PolarHBondContact O-N 2.89Å; K124-C128 PolarHBondContact O-N 3.49Å
125	L	98.6	Very high	97.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-50.1	176.4	-69.9	160.3	0	0	0	110.5	D121 E122 K127 C128 V129 I207 L408 A411 W413 F418	D121-L125 WeakPolarHBondContact O-CG 3.46Å; D121-L125 PolarHBondContact O-N 2.96Å; E122-L125 PolarHBondContact O-N 3.32Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.57Å; L125-C128 WeakPolarHBondContact O-CB 3.29Å; L125-C128 PolarHBondContact O-N 2.88Å; L125-C128 VanDerWaalsContact O-N 3.13Å; L125-V129 WeakPolarHBondContact O-CG2 3.43Å; L125-V129 PolarHBondContact O-N 2.96Å; L125-I207 HydrophobicContact CB-CD1 4.29Å; L125-I207 HydrophobicContact CD2-CD1 3.72Å; L125-I207 HydrophobicContact CD2-CG1 3.79Å; L125-I207 HydrophobicContact CD2-CG2 4.19Å; L125-L408 HydrophobicContact CB-CD2 4.2Å; L125-A411 HydrophobicContact CD1-CB 4.07Å; L125-A411 WeakPolarHBondContact CD1-O 3.35Å; L125-W413 HydrophobicContact CD2-CD2 3.98Å; L125-W413 HydrophobicContact CD2-CE3 4.4Å; L125-W413 HydrophobicContact CD2-CH2 4.03Å; L125-W413 HydrophobicContact CD2-CZ2 3.59Å; L125-W413 HydrophobicContact CD2-CZ3 4.42Å; L125-W413 HydrophobicContact CG-CZ2 4.23Å; L125-F418 HydrophobicContact CD1-CE2 4.34Å
126	L	98.6	Very high	97.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-38.7	177.6	-73.8	168.8	0	0	0	113.2	E122 V129 R130 V143 L145 M161 L163 L408	E122-L126 HydrophobicContact CG-CD1 4.01Å; E122-L126 HydrophobicContact CG-CG 4.5Å; E122-L126 WeakPolarHBondContact O-CB 3.12Å; E122-L126 WeakPolarHBondContact O-CG 3.43Å; E122-L126 PolarHBondContact O-N 3.4Å; L126-V129 PolarHBondContact O-N 3.36Å; L126-R130 PolarHBondContact O-N 2.98Å; L126-R130 VanDerWaalsContact O-N 3.09Å; L126-V143 HydrophobicContact CD2-CG1 4.04Å; L126-L145 HydrophobicContact CB-CB 3.83Å; L126-L145 HydrophobicContact CB-CD2 4.11Å; L126-L145 HydrophobicContact CD1-CB 4.31Å; L126-L145 HydrophobicContact CD1-CD1 4.31Å; L126-M161 HydrophobicContact CD1-SD 4.17Å; L126-L163 HydrophobicContact CD1-CD2 4.21Å; L126-L408 HydrophobicContact CD2-CD1 4.24Å; L126-L408 HydrophobicContact CD2-CD2 4.21Å
127	K	98.6	Very high	97.4	Very high	68 Å²	68	51.4 Å²	51.4	30%	0.296	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-42.9	174.2	-78	174.7	177.1	165.8	0	111.4	I123 K124 L125 R130 D131 L145 D148	I123-K127 HydrophobicContact CG2-CD 3.92Å; I123-K127 HydrophobicContact CG2-CG 4.41Å; I123-K127 WeakPolarHBondContact O-CB 2.96Å; I123-K127 VanDerWaalsContact O-CG 3.28Å; I123-K127 WeakPolarHBondContact O-CG 3.28Å; I123-K127 PolarHBondContact O-N 2.73Å; K124-K127 PolarHBondContact O-N 2.89Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.57Å; K127-R130 WeakPolarHBondContact O-CB 3.31Å; K127-R130 PolarHBondContact O-N 3.48Å; K127-D131 VanDerWaalsContact O-CB 3.27Å; K127-D131 WeakPolarHBondContact O-CB 3.42Å; K127-D131 PolarHBondContact O-N 2.91Å; K127-L145 HydrophobicContact CG-CD2 3.94Å; K127-D148 WeakPolarHBondContact CE-OD1 3.29Å; K127-D148 VanDerWaalsContact NZ-CG 3.33Å; K127-D148 IonicContact NZ-OD1 2.98Å; K127-D148 PolarHBondContact NZ-OD1 2.87Å; K127-D148 IonicContact NZ-OD2 2.6Å; K127-D148 PolarHBondContact NZ-OD2 2.71Å
128	C	98.4	Very high	97.5	Very high	29 Å²	29	47.7 Å²	47.7	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-39.2	175.8	174.9	0	0	0	0	113.2	K124 L125 R130 D131 S132 W413	K124-C128 PolarHBondContact O-N 3.49Å; L125-C128 WeakPolarHBondContact O-CB 3.29Å; L125-C128 PolarHBondContact O-N 2.88Å; L125-C128 VanDerWaalsContact O-N 3.13Å; C128-R130 PolarHBondContact O-N 2.75Å; C128-D131 PolarHBondContact O-N 3.1Å; C128-S132 VanDerWaalsContact O-CB 3.3Å; C128-S132 WeakPolarHBondContact O-CB 3.49Å; C128-S132 PolarHBondContact O-N 3.05Å; C128-S132 PolarHBondContact O-OG 3.37Å; C128-S132 PolarHBondContact SG-OG 3.48Å; C128-W413 HydrophobicContact CB-CH2 3.35Å; C128-W413 HydrophobicContact CB-CZ2 4.3Å; C128-W413 HydrophobicContact CB-CZ3 4.08Å; C128-W413 WeakPolarHBondContact SG-CH2 3.35Å; C128-W413 WeakPolarHBondContact SG-CZ3 3.29Å
129	V	98.4	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.2	-47.2	171.8	170.3	0	0	0	0	110.4	L125 L126 D131 I142 Y200 L201 I207 L408	L125-V129 WeakPolarHBondContact O-CG2 3.43Å; L125-V129 PolarHBondContact O-N 2.96Å; L126-V129 PolarHBondContact O-N 3.36Å; V129-D131 PolarHBondContact O-N 3.28Å; V129-I142 HydrophobicContact CG1-CB 4Å; V129-I142 HydrophobicContact CG1-CD1 4Å; V129-I142 HydrophobicContact CG1-CG2 3.74Å; V129-Y200 HydrophobicContact CG1-CE1 4.11Å; V129-Y200 WeakPolarHBondContact O-CE1 3.42Å; V129-Y200 PolarHBondContact O-OH 3Å; V129-L201 HydrophobicContact CG2-CD2 3.6Å; V129-I207 HydrophobicContact CG2-CD1 3.9Å; V129-L408 HydrophobicContact CG2-CD2 3.81Å
130	R	97.1	Very high	97.7	Very high	74 Å²	74	50.4 Å²	50.4	28%	0.279	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-40.6	179.8	-173	-173.3	66.2	-159.4	-5.2	112.9	L126 K127 C128 R139	L126-R130 PolarHBondContact O-N 2.98Å; L126-R130 VanDerWaalsContact O-N 3.09Å; K127-R130 WeakPolarHBondContact O-CB 3.31Å; K127-R130 PolarHBondContact O-N 3.48Å; C128-R130 PolarHBondContact O-N 2.75Å; R130-R139 PolarHBondContact O-NH1 3.11Å
131	D	97.5	Very high	97.7	Very high	91 Å²	91	49.3 Å²	49.3	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-100.7	-14.7	-163.7	-59.4	-21.3	0	0	0	114.2	K127 C128 V129	K127-D131 VanDerWaalsContact O-CB 3.27Å; K127-D131 WeakPolarHBondContact O-CB 3.42Å; K127-D131 PolarHBondContact O-N 2.91Å; C128-D131 PolarHBondContact O-N 3.1Å; V129-D131 PolarHBondContact O-N 3.28Å
132	S	97.8	Very high	97.8	Very high	49 Å²	49	47.2 Å²	47.2	34%	0.343	25%	0.254	S	S	.	.	S	Bend	trans	-65.9	-51.7	-174.2	-65.4	0	0	0	0	114.3	C128	C128-S132 VanDerWaalsContact O-CB 3.3Å; C128-S132 WeakPolarHBondContact O-CB 3.49Å; C128-S132 PolarHBondContact O-N 3.05Å; C128-S132 PolarHBondContact O-OG 3.37Å; C128-S132 PolarHBondContact SG-OG 3.48Å
133	D	97.8	Very high	97.8	Very high	34 Å²	34	47 Å²	47	18%	0.182	25%	0.253	C	S	.	.			trans	-146.9	87.7	172.8	-174.1	-10.5	0	0	0	109.9	S135 D136 Y200 K204	D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 VanDerWaalsContact O-N 3.09Å; D133-S135 PolarHBondContact OD1-N 3.46Å; D133-S135 VanDerWaalsContact OD1-N 3.17Å; D133-S135 PolarHBondContact OD1-OG 3.39Å; D133-D136 HydrophobicContact CB-CB 4.25Å; D133-D136 PolarHBondContact O-N 3.19Å; D133-D136 PolarHBondContact OD1-N 2.92Å; D133-Y200 HydrophobicContact CB-CE2 4.05Å; D133-Y200 PolarHBondContact N-OH 3.04Å; D133-Y200 VanDerWaalsContact N-OH 3.14Å; D133-Y200 PolarHBondContact O-OH 3.18Å; D133-K204 HydrophobicContact CB-CD 4.22Å; D133-K204 HydrophobicContact CB-CG 4.38Å; D133-K204 IonicContact OD2-NZ 3.22Å; D133-K204 PolarHBondContact OD2-NZ 3.04Å
134	P	96.1	Very high	97.8	Very high	79 Å²	79	47.5 Å²	47.5	51%	0.513	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.4	-177.9	-26.4	36.9	0	0	0	115.6	R139	P134-R139 VanDerWaalsContact CB-NH1 3.32Å
135	S	97.6	Very high	97.8	Very high	103 Å²	103	42.5 Å²	42.5	72%	0.72	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.2	-178.6	71.9	0	0	0	0	113	D133 P137	D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 VanDerWaalsContact O-N 3.09Å; D133-S135 PolarHBondContact OD1-N 3.46Å; D133-S135 VanDerWaalsContact OD1-N 3.17Å; D133-S135 PolarHBondContact OD1-OG 3.39Å; S135-P137 WeakPolarHBondContact O-CD 3.38Å
136	D	97.9	Very high	97.7	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.112	24%	0.242	C	C	.	.			trans	-75.5	117.8	179.9	-165.7	-34.4	0	0	0	110.4	D133 K138 R139 Y200 K204	D133-D136 HydrophobicContact CB-CB 4.25Å; D133-D136 PolarHBondContact O-N 3.19Å; D133-D136 PolarHBondContact OD1-N 2.92Å; D136-K138 PolarHBondContact O-N 3.28Å; D136-K138 VanDerWaalsContact OD1-CB 3.23Å; D136-K138 WeakPolarHBondContact OD1-CB 3.13Å; D136-K138 WeakPolarHBondContact OD1-CG 3.4Å; D136-K138 PolarHBondContact OD1-N 3.18Å; D136-R139 VanDerWaalsContact O-CB 3.24Å; D136-R139 WeakPolarHBondContact O-CB 3.43Å; D136-R139 PolarHBondContact O-N 2.71Å; D136-R139 VanDerWaalsContact O-N 3.14Å; D136-Y200 HydrophobicContact CB-CD2 3.94Å; D136-Y200 HydrophobicContact CB-CE2 3.81Å; D136-K204 WeakPolarHBondContact OD2-CE 3.42Å; D136-K204 IonicContact OD2-NZ 3.49Å
137	P	97.4	Very high	97.7	Very high	103 Å²	103	45.8 Å²	45.8	67%	0.669	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.9	-179.5	27.7	-35.9	0	0	0	113	S135 R139 E140	S135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-R139 PolarHBondContact O-N 2.69Å; P137-E140 WeakPolarHBondContact O-CB 3.28Å; P137-E140 PolarHBondContact O-N 3Å; P137-E140 VanDerWaalsContact O-N 3.1Å
138	K	97.8	Very high	97.7	Very high	58 Å²	58	45 Å²	45	25%	0.252	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-63	-25.9	176.9	-64.1	174.5	-176.4	171	0	111.8	D136 E140 T141 H196 D199 Y200	D136-K138 PolarHBondContact O-N 3.28Å; D136-K138 VanDerWaalsContact OD1-CB 3.23Å; D136-K138 WeakPolarHBondContact OD1-CB 3.13Å; D136-K138 WeakPolarHBondContact OD1-CG 3.4Å; D136-K138 PolarHBondContact OD1-N 3.18Å; K138-E140 PolarHBondContact O-N 2.87Å; K138-E140 VanDerWaalsContact O-N 3.15Å; K138-T141 WeakPolarHBondContact O-CB 3.14Å; K138-T141 PolarHBondContact O-N 2.79Å; K138-T141 PolarHBondContact O-OG1 3.34Å; K138-H196 HydrophobicContact CB-CB 4.42Å; K138-H196 HydrophobicContact CG-CB 4.07Å; K138-D199 IonicContact NZ-OD2 2.9Å; K138-D199 PolarHBondContact NZ-OD2 3.01Å; K138-Y200 HydrophobicContact CB-CD2 4.41Å; K138-Y200 HydrophobicContact CB-CG 4.46Å
139	R	97.4	Very high	97.7	Very high	41 Å²	41	44.7 Å²	44.7	16%	0.155	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-53.3	-35.1	173	-171.1	-171.8	70.8	177.4	-9.2	112.4	R130 P134 D136 P137 T141 I142 Q144 Y200	R130-R139 PolarHBondContact O-NH1 3.11Å; P134-R139 VanDerWaalsContact CB-NH1 3.32Å; D136-R139 VanDerWaalsContact O-CB 3.24Å; D136-R139 WeakPolarHBondContact O-CB 3.43Å; D136-R139 PolarHBondContact O-N 2.71Å; D136-R139 VanDerWaalsContact O-N 3.14Å; P137-R139 PolarHBondContact O-N 2.69Å; R139-T141 PolarHBondContact O-N 3.16Å; R139-T141 VanDerWaalsContact O-N 3.16Å; R139-I142 PolarHBondContact O-N 2.87Å; R139-I142 VanDerWaalsContact O-N 3.1Å; R139-Q144 PolarHBondContact O-NE2 2.84Å; R139-Q144 VanDerWaalsContact O-NE2 3.09Å; R139-Y200 HydrophobicContact CB-CD1 4.39Å; R139-Y200 HydrophobicContact CB-CD2 4.2Å; R139-Y200 HydrophobicContact CB-CE1 3.95Å; R139-Y200 HydrophobicContact CB-CE2 3.77Å; R139-Y200 HydrophobicContact CG-CE1 3.76Å; R139-Y200 HydrophobicContact CG-CE2 4.29Å
140	E	96.4	Very high	97.7	Very high	89 Å²	89	51.3 Å²	51.3	42%	0.416	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-70	-9.4	-178.2	-61.2	-56.6	141.7	0	0	113.5	P137 K138 I142 K404	P137-E140 WeakPolarHBondContact O-CB 3.28Å; P137-E140 PolarHBondContact O-N 3Å; P137-E140 VanDerWaalsContact O-N 3.1Å; K138-E140 PolarHBondContact O-N 2.87Å; K138-E140 VanDerWaalsContact O-N 3.15Å; E140-I142 VanDerWaalsContact C-N 3.26Å; E140-K404 WeakPolarHBondContact O-CD 3.3Å; E140-K404 WeakPolarHBondContact O-CE 3.21Å; E140-K404 PolarHBondContact O-NZ 3.12Å; E140-K404 IonicContact OE2-NZ 3.71Å
141	T	97.9	Very high	97.7	Very high	15 Å²	15	48.6 Å²	48.6	9%	0.092	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-85.8	5.7	172.2	66.7	0	0	0	0	113.3	K138 R139 H196 G197 K404 I405	K138-T141 WeakPolarHBondContact O-CB 3.14Å; K138-T141 PolarHBondContact O-N 2.79Å; K138-T141 PolarHBondContact O-OG1 3.34Å; R139-T141 PolarHBondContact O-N 3.16Å; R139-T141 VanDerWaalsContact O-N 3.16Å; T141-H196 HydrophobicContact CG2-CB 4.13Å; T141-G197 WeakPolarHBondContact OG1-CA 3.35Å; T141-G197 PolarHBondContact OG1-N 3.35Å; T141-G197 VanDerWaalsContact OG1-N 3.07Å; T141-K404 CarbonylContact O-C 3.6Å; T141-K404 WeakPolarHBondContact O-CA 3.37Å; T141-I405 PolarHBondContact O-N 3.19Å
142	I	98.5	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-122.8	142.7	176.1	-55	149.5	0	0	0	108.2	V129 R139 E140 Q144 Y200 L201 L408	V129-I142 HydrophobicContact CG1-CB 4Å; V129-I142 HydrophobicContact CG1-CD1 4Å; V129-I142 HydrophobicContact CG1-CG2 3.74Å; R139-I142 PolarHBondContact O-N 2.87Å; R139-I142 VanDerWaalsContact O-N 3.1Å; E140-I142 VanDerWaalsContact C-N 3.26Å; I142-Q144 PolarHBondContact O-N 3.03Å; I142-Q144 PolarHBondContact O-NE2 2.78Å; I142-Y200 HydrophobicContact CD1-CD1 3.42Å; I142-Y200 VanDerWaalsContact CD1-CD1 3.42Å; I142-Y200 HydrophobicContact CD1-CE1 4.19Å; I142-Y200 HydrophobicContact CD1-CG 4.22Å; I142-L201 HydrophobicContact CD1-CD1 4.48Å; I142-L201 HydrophobicContact CD1-CD2 3.75Å; I142-L201 HydrophobicContact CD1-CG 3.72Å; I142-L201 HydrophobicContact CG1-CD2 4.5Å; I142-L201 HydrophobicContact CG1-CG 4.35Å; I142-L408 HydrophobicContact CG2-CD1 4.32Å
143	V	97.9	Very high	97.4	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.055	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-57.9	134.6	178.8	67.8	0	0	0	0	111.7	L126 L163 E164 L166 I405 A406 L408	L126-V143 HydrophobicContact CD2-CG1 4.04Å; V143-L163 HydrophobicContact CG2-CB 4.27Å; V143-L163 HydrophobicContact CG2-CD2 4.11Å; V143-E164 HydrophobicContact CG2-CG 4.2Å; V143-L166 HydrophobicContact CB-CD1 4.19Å; V143-L166 HydrophobicContact CG2-CD1 3.88Å; V143-I405 PolarHBondContact N-O 2.93Å; V143-A406 HydrophobicContact CB-CB 4.33Å; V143-A406 HydrophobicContact CG1-CB 4.19Å; V143-L408 HydrophobicContact CG1-CD1 4.48Å
144	Q	97.4	Very high	97.1	Very high	23 Å²	23	52.5 Å²	52.5	11%	0.107	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-99.5	130.5	-176.4	-61	-58.4	-53.2	0	0	113.1	R139 I142 L163 E164	R139-Q144 PolarHBondContact O-NE2 2.84Å; R139-Q144 VanDerWaalsContact O-NE2 3.09Å; I142-Q144 PolarHBondContact O-N 3.03Å; I142-Q144 PolarHBondContact O-NE2 2.78Å; Q144-L163 WeakPolarHBondContact O-CA 3.45Å; Q144-E164 PolarHBondContact N-OE1 3.43Å; Q144-E164 PolarHBondContact O-N 2.77Å
145	L	98.3	Very high	97	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.7	169.5	-177.1	74.3	0	0	0	111.1	I123 L126 K127 D147 M161 L163	I123-L145 HydrophobicContact CG2-CD2 4.11Å; L126-L145 HydrophobicContact CB-CB 3.83Å; L126-L145 HydrophobicContact CB-CD2 4.11Å; L126-L145 HydrophobicContact CD1-CB 4.31Å; L126-L145 HydrophobicContact CD1-CD1 4.31Å; K127-L145 HydrophobicContact CG-CD2 3.94Å; L145-D147 WeakPolarHBondContact CD1-O 3.43Å; L145-M161 HydrophobicContact CD1-CB 3.89Å; L145-M161 HydrophobicContact CD1-CG 4.13Å; L145-L163 HydrophobicContact CB-CD2 4.39Å; L145-L163 HydrophobicContact CD1-CD2 4.1Å
146	I	97.6	Very high	96.9	Very high	36 Å²	36	46 Å²	46	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-45.4	-179.2	-63.5	170.4	0	0	0	111.5	V104 V162 L163 E164	V104-I146 HydrophobicContact CB-CD1 4.41Å; V104-I146 HydrophobicContact CG1-CD1 3.76Å; I146-V162 WeakPolarHBondContact CA-O 3.35Å; I146-V162 HydrophobicContact CB-CB 4.34Å; I146-V162 HydrophobicContact CB-CG1 4.09Å; I146-V162 WeakPolarHBondContact CB-O 3.47Å; I146-V162 HydrophobicContact CG2-CG1 4.2Å; I146-V162 PolarHBondContact N-O 3.18Å; I146-L163 VanDerWaalsContact CD1-C 3.47Å; I146-L163 WeakPolarHBondContact CD1-O 3.4Å; I146-E164 HydrophobicContact CD1-CB 4.42Å
147	D	98.3	Very high	96.9	Very high	37 Å²	37	48.1 Å²	48.1	20%	0.198	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.4	-176.6	-165.6	17.9	0	0	0	109.9	R77 Y78 L145 V162	R77-D147 IonicContact NH1-OD2 2.74Å; Y78-D147 WeakPolarHBondContact CE2-OD2 3.35Å; Y78-D147 WeakPolarHBondContact OH-CB 3.5Å; Y78-D147 PolarHBondContact OH-OD2 3.34Å; L145-D147 WeakPolarHBondContact CD1-O 3.43Å; D147-V162 HydrophobicContact CB-CB 3.89Å; D147-V162 HydrophobicContact CB-CG2 3.93Å; D147-V162 PolarHBondContact N-O 2.79Å; D147-V162 WeakPolarHBondContact O-CB 3.34Å; D147-V162 PolarHBondContact O-N 3.43Å
148	D	98.5	Very high	97	Very high	52 Å²	52	43.2 Å²	43.2	28%	0.278	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.3	173.6	66.5	-84.1	0	0	0	111.1	I123 K127 C160	I123-D148 HydrophobicContact CD1-CB 3.89Å; I123-D148 HydrophobicContact CG1-CB 4.29Å; I123-D148 HydrophobicContact CG2-CB 4.36Å; K127-D148 WeakPolarHBondContact CE-OD1 3.29Å; K127-D148 VanDerWaalsContact NZ-CG 3.33Å; K127-D148 IonicContact NZ-OD1 2.98Å; K127-D148 PolarHBondContact NZ-OD1 2.87Å; K127-D148 IonicContact NZ-OD2 2.6Å; K127-D148 PolarHBondContact NZ-OD2 2.71Å; D148-C160 WeakPolarHBondContact CA-O 3.46Å
149	F	98.6	Very high	97	Very high	21 Å²	21	40.6 Å²	40.6	9%	0.092	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	175	179.4	57.7	-91	0	0	0	111.3	F74 N75 Y78 L106 I151 C160 V162	F74-F149 HydrophobicContact CB-CE2 3.99Å; F74-F149 HydrophobicContact CB-CZ 3.82Å; N75-F149 HydrophobicContact CB-CD1 4.03Å; N75-F149 HydrophobicContact CB-CD2 4.14Å; N75-F149 HydrophobicContact CB-CE1 4.03Å; N75-F149 HydrophobicContact CB-CE2 4.15Å; N75-F149 HydrophobicContact CB-CG 4.09Å; N75-F149 HydrophobicContact CB-CZ 4.1Å; Y78-F149 AromaticContact CD2-CE1 3.63Å; Y78-F149 HydrophobicContact CD2-CE1 3.63Å; Y78-F149 HydrophobicContact CD2-CZ 4.02Å; Y78-F149 HydrophobicContact CE2-CD1 4.29Å; Y78-F149 AromaticContact CE2-CE1 3.65Å; Y78-F149 HydrophobicContact CE2-CE1 3.65Å; Y78-F149 HydrophobicContact CE2-CZ 4.47Å; L106-F149 HydrophobicContact CD1-CE1 4.08Å; L106-F149 HydrophobicContact CD1-CZ 3.69Å; F149-I151 HydrophobicContact CD2-CG2 3.7Å; F149-I151 HydrophobicContact CE2-CG2 3.5Å; F149-C160 HydrophobicContact CD1-CB 4.37Å; F149-C160 HydrophobicContact CD2-CB 3.78Å; F149-C160 HydrophobicContact CE1-CB 4.15Å; F149-C160 HydrophobicContact CE2-CB 3.51Å; F149-C160 HydrophobicContact CG-CB 4.19Å; F149-C160 HydrophobicContact CZ-CB 3.71Å; F149-C160 PolarHBondContact N-O 3Å; F149-C160 WeakPolarHBondContact O-CB 3.38Å; F149-C160 PolarHBondContact O-N 3.32Å; F149-V162 HydrophobicContact CD1-CG2 4.39Å; F149-V162 HydrophobicContact CE1-CG2 3.67Å
150	R	98.3	Very high	97	Very high	139 Å²	139	38.7 Å²	38.7	53%	0.525	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.2	175	-67.2	177.9	-178.2	-93.8	-0.6	110.7	V157 H158	R150-V157 HydrophobicContact CB-CG1 3.95Å; R150-V157 HydrophobicContact CG-CG1 4.34Å; R150-H158 VanDerWaalsContact CA-O 3.29Å; R150-H158 WeakPolarHBondContact CA-O 3.33Å
151	I	96.9	Very high	97.1	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.1	174.4	62.7	176.7	0	0	0	110	Y66 F74 V108 F149 V157 H158	Y66-I151 HydrophobicContact CD1-CD1 4.01Å; Y66-I151 HydrophobicContact CD2-CD1 3.59Å; Y66-I151 HydrophobicContact CD2-CG1 4.14Å; Y66-I151 HydrophobicContact CE1-CD1 4.1Å; Y66-I151 HydrophobicContact CE2-CD1 3.65Å; Y66-I151 HydrophobicContact CE2-CG1 4.14Å; Y66-I151 HydrophobicContact CG-CD1 3.76Å; F74-I151 HydrophobicContact CD1-CD1 4.12Å; F74-I151 HydrophobicContact CD1-CG2 3.8Å; F74-I151 HydrophobicContact CE1-CD1 3.5Å; F74-I151 HydrophobicContact CE1-CG2 4.21Å; F74-I151 HydrophobicContact CZ-CD1 4.22Å; V108-I151 HydrophobicContact CG1-CD1 3.93Å; F149-I151 HydrophobicContact CD2-CG2 3.7Å; F149-I151 HydrophobicContact CE2-CG2 3.5Å; I151-V157 CarbonylContact O-C 3.57Å; I151-V157 WeakPolarHBondContact O-CA 3.5Å; I151-H158 HydrophobicContact CD1-CB 4.26Å; I151-H158 HydrophobicContact CG1-CB 3.75Å; I151-H158 PolarHBondContact N-O 2.9Å; I151-H158 PolarHBondContact O-N 2.93Å
152	S	96.6	Very high	97.2	Very high	102 Å²	102	33.7 Å²	33.7	71%	0.713	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.2	172.9	-63.1	0	0	0	0	109.4
153	G	92.2	Very high	97.2	Very high	27 Å²	27	34.8 Å²	34.8	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	179.9	176.4	0	0	0	0	0	112.3	N155 G156	G153-N155 PolarHBondContact O-N 2.87Å; G153-G156 PolarHBondContact N-O 2.8Å; G153-G156 PolarHBondContact O-N 3.43Å
154	V	91.8	Very high	97.1	Very high	126 Å²	126	36.5 Å²	36.5	76%	0.764	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.4	175.1	-65.5	0	0	0	0	112.7	P67	P67-V154 HydrophobicContact CG-CG2 4.36Å
155	N	94.1	Very high	97	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.091	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-11.7	-175.7	-70.3	-14.2	0	0	0	113.4	Y60 C61 R62 G63 Y65 S111 G153	Y60-N155 VanDerWaalsContact C-ND2 3.34Å; Y60-N155 PolarHBondContact O-ND2 2.81Å; C61-N155 VanDerWaalsContact C-CG 3.41Å; C61-N155 WeakPolarHBondContact O-CB 3.38Å; C61-N155 PolarHBondContact O-ND2 3.37Å; C61-N155 PolarHBondContact O-OD1 2.83Å; R62-N155 WeakPolarHBondContact CA-O 3.46Å; G63-N155 PolarHBondContact N-O 3.41Å; Y65-N155 PolarHBondContact O-ND2 2.85Å; S111-N155 PolarHBondContact OG-O 2.88Å; G153-N155 PolarHBondContact O-N 2.87Å
156	G	95.9	Very high	96.9	Very high	28 Å²	28	37.3 Å²	37.3	29%	0.289	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-162.6	-179.8	0	0	0	0	0	112.4	G153 H158	G153-G156 PolarHBondContact N-O 2.8Å; G153-G156 PolarHBondContact O-N 3.43Å; G156-H158 PolarHBondContact O-CD2 3.43Å; G156-H158 VanDerWaalsContact O-CD2 3.3Å
157	V	97.6	Very high	96.6	Very high	67 Å²	67	36.2 Å²	36.2	41%	0.406	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.1	171	-179.8	0	0	0	0	107.8	S111 R150 I151	S111-V157 WeakPolarHBondContact CB-O 3.47Å; R150-V157 HydrophobicContact CB-CG1 3.95Å; R150-V157 HydrophobicContact CG-CG1 4.34Å; I151-V157 CarbonylContact O-C 3.57Å; I151-V157 WeakPolarHBondContact O-CA 3.5Å
158	H	98.3	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.5	-178.1	-59.2	-105.7	0	0	0	109.8	G64 Y66 V108 V109 S111 R150 I151 G156	G64-H158 PolarHBondContact O-CE1 3.42Å; Y66-H158 AromaticContact CD2-CD2 3.58Å; Y66-H158 AromaticContact CD2-NE2 3.76Å; Y66-H158 PolarHBondContact N-CE1 2.99Å; V108-H158 HydrophobicContact CG1-CB 4.15Å; V109-H158 WeakPolarHBondContact O-CB 3.3Å; V109-H158 PolarHBondContact O-ND1 2.74Å; S111-H158 VanDerWaalsContact CB-CE1 3.46Å; S111-H158 WeakPolarHBondContact CB-CE1 3.4Å; S111-H158 PolarHBondContact OG-CE1 3.05Å; R150-H158 VanDerWaalsContact CA-O 3.29Å; R150-H158 WeakPolarHBondContact CA-O 3.33Å; I151-H158 HydrophobicContact CD1-CB 4.26Å; I151-H158 HydrophobicContact CG1-CB 3.75Å; I151-H158 PolarHBondContact N-O 2.9Å; I151-H158 PolarHBondContact O-N 2.93Å; G156-H158 PolarHBondContact O-CD2 3.43Å; G156-H158 VanDerWaalsContact O-CD2 3.3Å
159	V	98.4	Very high	96	Very high	3 Å²	3	33 Å²	33	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.7	171.4	178.6	0	0	0	0	108.6	V109 T116 A119 V120 I123	V109-V159 PolarHBondContact N-O 3.4Å; T116-V159 HydrophobicContact CG2-CG2 3.86Å; A119-V159 HydrophobicContact CB-CB 4.07Å; A119-V159 HydrophobicContact CB-CG1 3.99Å; A119-V159 HydrophobicContact CB-CG2 4.48Å; V120-V159 HydrophobicContact CG2-CG2 4.4Å; I123-V159 HydrophobicContact CD1-CG1 3.45Å; I123-V159 VanDerWaalsContact CD1-CG1 3.45Å
160	C	98.5	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.5	179.5	-64.4	0	0	0	0	110	L106 K107 D148 F149	L106-C160 HydrophobicContact CD1-CB 4.04Å; K107-C160 VanDerWaalsContact O-CA 3.31Å; K107-C160 WeakPolarHBondContact O-CA 3.47Å; D148-C160 WeakPolarHBondContact CA-O 3.46Å; F149-C160 HydrophobicContact CD1-CB 4.37Å; F149-C160 HydrophobicContact CD2-CB 3.78Å; F149-C160 HydrophobicContact CE1-CB 4.15Å; F149-C160 HydrophobicContact CE2-CB 3.51Å; F149-C160 HydrophobicContact CG-CB 4.19Å; F149-C160 HydrophobicContact CZ-CB 3.71Å; F149-C160 PolarHBondContact N-O 3Å; F149-C160 WeakPolarHBondContact O-CB 3.38Å; F149-C160 PolarHBondContact O-N 3.32Å
161	M	98.6	Very high	95.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.8	173.9	-67.5	170	-84.4	0	0	109	L106 K107 V109 A119 E122 I123 L126 L145	L106-M161 WeakPolarHBondContact CA-O 3.31Å; K107-M161 HydrophobicContact CB-CB 4.35Å; K107-M161 HydrophobicContact CD-CE 3.64Å; K107-M161 HydrophobicContact CG-CE 4.04Å; K107-M161 PolarHBondContact N-O 3.24Å; K107-M161 PolarHBondContact O-N 2.93Å; V109-M161 HydrophobicContact CG2-CE 3.67Å; A119-M161 HydrophobicContact CB-CE 4.42Å; E122-M161 HydrophobicContact CG-SD 4.21Å; E122-M161 WeakPolarHBondContact OE2-CE 3.18Å; I123-M161 HydrophobicContact CD1-CG 3.91Å; I123-M161 HydrophobicContact CD1-SD 4.48Å; I123-M161 HydrophobicContact CG1-CG 3.64Å; I123-M161 HydrophobicContact CG1-SD 3.83Å; L126-M161 HydrophobicContact CD1-SD 4.17Å; L145-M161 HydrophobicContact CD1-CB 3.89Å; L145-M161 HydrophobicContact CD1-CG 4.13Å
162	V	98.6	Very high	95.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.4	174.2	-173.7	0	0	0	0	107.6	Y78 V104 A105 L106 I146 D147 F149	Y78-V162 HydrophobicContact CD1-CG1 4.31Å; Y78-V162 HydrophobicContact CD2-CG2 4.18Å; Y78-V162 HydrophobicContact CE1-CG1 3.71Å; Y78-V162 HydrophobicContact CE1-CG2 4.12Å; Y78-V162 HydrophobicContact CE2-CG2 3.75Å; V104-V162 HydrophobicContact CB-CG1 3.62Å; V104-V162 HydrophobicContact CG1-CG1 3.99Å; V104-V162 HydrophobicContact CG2-CG1 3.61Å; A105-V162 CarbonylContact O-C 3.44Å; A105-V162 WeakPolarHBondContact O-CA 3.48Å; L106-V162 HydrophobicContact CD1-CG2 3.89Å; I146-V162 WeakPolarHBondContact CA-O 3.35Å; I146-V162 HydrophobicContact CB-CB 4.34Å; I146-V162 HydrophobicContact CB-CG1 4.09Å; I146-V162 WeakPolarHBondContact CB-O 3.47Å; I146-V162 HydrophobicContact CG2-CG1 4.2Å; I146-V162 PolarHBondContact N-O 3.18Å; D147-V162 HydrophobicContact CB-CB 3.89Å; D147-V162 HydrophobicContact CB-CG2 3.93Å; D147-V162 PolarHBondContact N-O 2.79Å; D147-V162 WeakPolarHBondContact O-CB 3.34Å; D147-V162 PolarHBondContact O-N 3.43Å; F149-V162 HydrophobicContact CD1-CG2 4.39Å; F149-V162 HydrophobicContact CE1-CG2 3.67Å
163	L	98.3	Very high	95.4	Very high	22 Å²	22	22.7 Å²	22.7	12%	0.115	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	163.3	-176.2	-59.5	162.1	0	0	0	109.1	A105 K107 L126 V143 Q144 L145 I146	A105-L163 HydrophobicContact CB-CB 4.42Å; A105-L163 PolarHBondContact N-O 3.42Å; A105-L163 PolarHBondContact O-N 2.64Å; K107-L163 HydrophobicContact CB-CD1 4.46Å; L126-L163 HydrophobicContact CD1-CD2 4.21Å; V143-L163 HydrophobicContact CG2-CB 4.27Å; V143-L163 HydrophobicContact CG2-CD2 4.11Å; Q144-L163 WeakPolarHBondContact O-CA 3.45Å; L145-L163 HydrophobicContact CB-CD2 4.39Å; L145-L163 HydrophobicContact CD1-CD2 4.1Å; I146-L163 VanDerWaalsContact CD1-C 3.47Å; I146-L163 WeakPolarHBondContact CD1-O 3.4Å
164	E	96.1	Very high	95.6	Very high	45 Å²	45	21.4 Å²	21.4	21%	0.21	13%	0.127	C	C	.	.			trans	-62.4	155.7	166.3	66	-170.5	131.5	0	0	111.6	V143 Q144 I146 L166 K404	V143-E164 HydrophobicContact CG2-CG 4.2Å; Q144-E164 PolarHBondContact N-OE1 3.43Å; Q144-E164 PolarHBondContact O-N 2.77Å; I146-E164 HydrophobicContact CD1-CB 4.42Å; E164-L166 HydrophobicContact CG-CD2 4.38Å; E164-L166 HydrophobicContact CG-CG 4.22Å; E164-K404 VanDerWaalsContact OE1-CD 3.28Å; E164-K404 WeakPolarHBondContact OE1-CD 3.32Å; E164-K404 WeakPolarHBondContact OE1-CE 3.38Å; E164-K404 IonicContact OE1-NZ 3.56Å; E164-K404 PolarHBondContact OE1-NZ 3.24Å; E164-K404 VanDerWaalsContact OE2-CE 3.29Å; E164-K404 WeakPolarHBondContact OE2-CE 3.28Å; E164-K404 IonicContact OE2-NZ 2.8Å; E164-K404 PolarHBondContact OE2-NZ 2.84Å
165	V	96.4	Very high	95.6	Very high	17 Å²	17	18.4 Å²	18.4	10%	0.103	11%	0.106	C	C	.	.			trans	-82.5	123.8	176.8	-177	0	0	0	0	108.8	L94 F103 V104 V221 I226	L94-V165 HydrophobicContact CD1-CG1 4.2Å; L94-V165 HydrophobicContact CD1-CG2 3.7Å; F103-V165 HydrophobicContact CB-CG2 4.02Å; V104-V165 VanDerWaalsContact C-CG2 3.43Å; V165-V221 HydrophobicContact CG1-CG2 4.5Å; V165-I226 HydrophobicContact CB-CD1 3.85Å; V165-I226 HydrophobicContact CB-CG1 4.48Å; V165-I226 HydrophobicContact CG1-CD1 3.91Å; V165-I226 HydrophobicContact CG1-CG1 3.99Å; V165-I226 HydrophobicContact CG1-CG2 4.38Å
166	L	95.6	Very high	95.6	Very high	27 Å²	27	20.1 Å²	20.1	14%	0.141	11%	0.112	C	C	.	.			trans	-115.7	165.3	172.7	-63.4	169.5	0	0	0	109.7	V143 E164 L218 K404	V143-L166 HydrophobicContact CB-CD1 4.19Å; V143-L166 HydrophobicContact CG2-CD1 3.88Å; E164-L166 HydrophobicContact CG-CD2 4.38Å; E164-L166 HydrophobicContact CG-CG 4.22Å; L166-L218 HydrophobicContact CB-CB 3.94Å; L166-L218 HydrophobicContact CB-CD1 3.97Å; L166-L218 HydrophobicContact CD1-CB 3.99Å; L166-L218 HydrophobicContact CD1-CD1 3.69Å; L166-L218 HydrophobicContact CD1-CG 4.48Å; L166-L218 HydrophobicContact CG-CD1 4.47Å; L166-K404 HydrophobicContact CD1-CB 4.08Å; L166-K404 HydrophobicContact CD1-CD 4.43Å; L166-K404 HydrophobicContact CD2-CB 4.42Å; L166-K404 HydrophobicContact CD2-CD 3.98Å; L166-K404 HydrophobicContact CD2-CG 4.09Å
167	G	92.2	Very high	95.5	Very high	12 Å²	12	19.5 Å²	19.5	12%	0.124	10%	0.103	C	C	.	.			trans	-87.1	-147.6	177.4	0	0	0	0	0	112.8	L219 V221	G167-L219 VanDerWaalsContact CA-O 3.27Å; G167-L219 WeakPolarHBondContact CA-O 3.41Å; G167-L219 PolarHBondContact N-O 3.04Å; G167-V221 VanDerWaalsContact CA-CG1 3.46Å
168	H	90.2	Very high	95.5	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.051	12%	0.116	C	C	.	.			trans	-78.2	148.8	-176.2	-60.7	-51.3	0	0	0	112.9	K172 L219 C361	H168-K172 HydrophobicContact CB-CB 4.43Å; H168-K172 HydrophobicContact CB-CD 3.74Å; H168-K172 PolarHBondContact CD2-NZ 2.73Å; H168-K172 VanDerWaalsContact CD2-NZ 3.3Å; H168-K172 PolarHBondContact CE1-NZ 2.86Å; H168-K172 PolarHBondContact ND1-NZ 2.7Å; H168-K172 VanDerWaalsContact ND1-NZ 3.16Å; H168-K172 PolarHBondContact NE2-NZ 3.48Å; H168-L219 PolarHBondContact O-N 3.15Å; H168-C361 PolarHBondContact ND1-O 2.89Å
169	Q	93.5	Very high	95.3	Very high	11 Å²	11	28 Å²	28	5%	0.051	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-67.4	155.6	168	72.7	-161.8	58.2	0	0	112.2	L171 K172 E215 I217 L218 A359	Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 HydrophobicContact CG-CB 4.18Å; Q169-L171 PolarHBondContact O-N 3.23Å; Q169-K172 WeakPolarHBondContact O-CB 3.34Å; Q169-K172 PolarHBondContact O-N 3.43Å; Q169-E215 WeakPolarHBondContact CB-O 3.46Å; Q169-I217 CarbonylContact C-O 3.55Å; Q169-I217 VanDerWaalsContact CA-O 3.28Å; Q169-I217 WeakPolarHBondContact CA-O 3.46Å; Q169-L218 HydrophobicContact CB-CD2 3.75Å; Q169-A359 PolarHBondContact OE1-O 3.22Å
170	L	96.8	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-31.1	-178	-66.2	-178.1	0	0	0	113.4	K172 W173 I174 I190 P214 I217 L219 L454	L170-K172 PolarHBondContact O-N 2.71Å; L170-K172 VanDerWaalsContact O-N 3.15Å; L170-W173 WeakPolarHBondContact O-CA 3.37Å; L170-W173 WeakPolarHBondContact O-CB 3.45Å; L170-W173 PolarHBondContact O-N 3.24Å; L170-I174 PolarHBondContact O-N 3.22Å; L170-I190 HydrophobicContact CD1-CD1 4.3Å; L170-I190 HydrophobicContact CD1-CG2 3.5Å; L170-I190 VanDerWaalsContact CD1-CG2 3.5Å; L170-I190 HydrophobicContact CD2-CD1 3.93Å; L170-P214 HydrophobicContact CB-CB 3.99Å; L170-P214 WeakPolarHBondContact CB-O 3.29Å; L170-P214 PolarHBondContact N-O 2.84Å; L170-I217 HydrophobicContact CD1-CB 3.7Å; L170-I217 HydrophobicContact CD1-CG1 4.39Å; L170-I217 HydrophobicContact CD1-CG2 3.55Å; L170-I217 HydrophobicContact CG-CB 3.98Å; L170-I217 HydrophobicContact CG-CG2 3.97Å; L170-I217 PolarHBondContact N-O 2.89Å; L170-L219 HydrophobicContact CD2-CD1 4.49Å; L170-L219 HydrophobicContact CD2-CG 4.3Å; L170-L454 HydrophobicContact CB-CD2 4.16Å; L170-L454 HydrophobicContact CD1-CD1 4.01Å; L170-L454 HydrophobicContact CD1-CD2 4Å
171	L	94.4	Very high	95.2	Very high	32 Å²	32	35.5 Å²	35.5	17%	0.168	18%	0.176	C	C	.	.	H	α-helix	trans	-53.2	-38.7	175.5	178.6	61.3	0	0	0	111.8	Q169 W173 I174 I175 P214 E215	Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 HydrophobicContact CG-CB 4.18Å; Q169-L171 PolarHBondContact O-N 3.23Å; L171-W173 PolarHBondContact O-N 3.13Å; L171-I174 WeakPolarHBondContact O-CB 3.45Å; L171-I174 PolarHBondContact O-N 3.23Å; L171-I175 HydrophobicContact CD1-CD1 4.41Å; L171-I175 HydrophobicContact CD1-CG1 4.44Å; L171-I175 HydrophobicContact CG-CD1 4.05Å; L171-I175 WeakPolarHBondContact O-CG1 3.45Å; L171-I175 PolarHBondContact O-N 3.45Å; L171-P214 HydrophobicContact CB-CB 4.1Å; L171-P214 PolarHBondContact N-O 3.17Å; L171-E215 HydrophobicContact CB-CG 4.05Å; L171-E215 HydrophobicContact CD2-CG 3.57Å; L171-E215 HydrophobicContact CG-CG 4.43Å
172	K	90.9	Very high	95.2	Very high	18 Å²	18	35.9 Å²	35.9	8%	0.078	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-33.9	177.1	-170.2	-178.1	-179	-175.8	0	112.2	H168 Q169 L170 K176 I363	H168-K172 HydrophobicContact CB-CB 4.43Å; H168-K172 HydrophobicContact CB-CD 3.74Å; H168-K172 PolarHBondContact CD2-NZ 2.73Å; H168-K172 VanDerWaalsContact CD2-NZ 3.3Å; H168-K172 PolarHBondContact CE1-NZ 2.86Å; H168-K172 PolarHBondContact ND1-NZ 2.7Å; H168-K172 VanDerWaalsContact ND1-NZ 3.16Å; H168-K172 PolarHBondContact NE2-NZ 3.48Å; Q169-K172 WeakPolarHBondContact O-CB 3.34Å; Q169-K172 PolarHBondContact O-N 3.43Å; L170-K172 PolarHBondContact O-N 2.71Å; L170-K172 VanDerWaalsContact O-N 3.15Å; K172-K176 VanDerWaalsContact O-CG 3.31Å; K172-K176 WeakPolarHBondContact O-CG 3.23Å; K172-K176 PolarHBondContact O-N 2.96Å; K172-I363 PolarHBondContact NZ-O 3.06Å
173	W	95.4	Very high	95.2	Very high	13 Å²	13	37.3 Å²	37.3	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-80.1	-32.4	178.8	-66.9	99.6	0	0	0	112.5	L170 L171 I175 K176 S177 L219 N391 P392 L393	L170-W173 WeakPolarHBondContact O-CA 3.37Å; L170-W173 WeakPolarHBondContact O-CB 3.45Å; L170-W173 PolarHBondContact O-N 3.24Å; L171-W173 PolarHBondContact O-N 3.13Å; W173-I175 VanDerWaalsContact C-N 3.34Å; W173-K176 HydrophobicContact CD2-CD 4.26Å; W173-K176 HydrophobicContact CE3-CD 3.64Å; W173-K176 HydrophobicContact CZ3-CD 3.8Å; W173-K176 PolarHBondContact O-N 3.02Å; W173-S177 PolarHBondContact O-N 3.29Å; W173-L219 HydrophobicContact CG-CD1 4.48Å; W173-L219 HydrophobicContact CZ2-CD1 4.35Å; W173-N391 WeakPolarHBondContact CZ3-OD1 3.36Å; W173-P392 HydrophobicContact CB-CG 4Å; W173-P392 HydrophobicContact CD2-CG 3.37Å; W173-P392 HydrophobicContact CE3-CG 3.64Å; W173-P392 HydrophobicContact CG-CG 3.55Å; W173-P392 HydrophobicContact CZ2-CG 4.35Å; W173-P392 HydrophobicContact CZ3-CG 4.24Å; W173-L393 HydrophobicContact CE3-CD1 4.28Å; W173-L393 HydrophobicContact CE3-CG 4.07Å; W173-L393 HydrophobicContact CZ3-CG 4.49Å
174	I	95.3	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-48.2	168	-63	172.7	0	0	0	109.5	L170 L171 K176 S177 N178 Y179 L182 P214 E453 L454	L170-I174 PolarHBondContact O-N 3.22Å; L171-I174 WeakPolarHBondContact O-CB 3.45Å; L171-I174 PolarHBondContact O-N 3.23Å; I174-K176 PolarHBondContact O-N 2.93Å; I174-S177 WeakPolarHBondContact O-CB 3.45Å; I174-S177 PolarHBondContact O-N 3.39Å; I174-S177 VanDerWaalsContact O-N 3.11Å; I174-S177 PolarHBondContact O-OG 3.19Å; I174-N178 PolarHBondContact O-N 3.28Å; I174-Y179 HydrophobicContact CG2-CD1 3.65Å; I174-Y179 HydrophobicContact CG2-CE1 4.06Å; I174-Y179 HydrophobicContact CG2-CG 4.41Å; I174-Y179 PolarHBondContact O-N 3.08Å; I174-Y179 VanDerWaalsContact O-N 3.08Å; I174-L182 HydrophobicContact CG1-CD1 4.16Å; I174-P214 HydrophobicContact CD1-CB 3.82Å; I174-P214 HydrophobicContact CD1-CG 3.72Å; I174-E453 HydrophobicContact CD1-CG 4.16Å; I174-E453 WeakPolarHBondContact CD1-OE1 3.2Å; I174-L454 HydrophobicContact CD1-CD2 3.91Å; I174-L454 HydrophobicContact CG1-CD2 4.08Å
175	I	93.5	Very high	95.2	Very high	64 Å²	64	38.5 Å²	38.5	33%	0.328	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-46.5	175.9	-65.3	165.4	0	0	0	111.1	L171 W173 S177 N178 Y179	L171-I175 HydrophobicContact CD1-CD1 4.41Å; L171-I175 HydrophobicContact CD1-CG1 4.44Å; L171-I175 HydrophobicContact CG-CD1 4.05Å; L171-I175 WeakPolarHBondContact O-CG1 3.45Å; L171-I175 PolarHBondContact O-N 3.45Å; W173-I175 VanDerWaalsContact C-N 3.34Å; I175-S177 PolarHBondContact O-N 3.28Å; I175-N178 WeakPolarHBondContact O-CA 3.39Å; I175-N178 PolarHBondContact O-N 3.33Å; I175-Y179 HydrophobicContact CG1-CE1 4.44Å; I175-Y179 HydrophobicContact CG1-CE2 4.45Å
176	K	93.3	Very high	95.3	Very high	53 Å²	53	37.7 Å²	37.7	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-26.9	177.1	-75.7	-179.1	-167.8	-173.6	0	113.9	K172 W173 I174 N178 L364 L393	K172-K176 VanDerWaalsContact O-CG 3.31Å; K172-K176 WeakPolarHBondContact O-CG 3.23Å; K172-K176 PolarHBondContact O-N 2.96Å; W173-K176 HydrophobicContact CD2-CD 4.26Å; W173-K176 HydrophobicContact CE3-CD 3.64Å; W173-K176 HydrophobicContact CZ3-CD 3.8Å; W173-K176 PolarHBondContact O-N 3.02Å; I174-K176 PolarHBondContact O-N 2.93Å; K176-N178 PolarHBondContact O-N 2.92Å; K176-L364 HydrophobicContact CD-CD1 4Å; K176-L364 VanDerWaalsContact NZ-CD1 3.31Å; K176-L393 HydrophobicContact CB-CD1 4.2Å
177	S	94.8	Very high	95.4	Very high	14 Å²	14	36.4 Å²	36.4	10%	0.098	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.6	172.5	78.2	0	0	0	0	112.5	W173 I174 I175 Y179 Q180 G181	W173-S177 PolarHBondContact O-N 3.29Å; I174-S177 WeakPolarHBondContact O-CB 3.45Å; I174-S177 PolarHBondContact O-N 3.39Å; I174-S177 VanDerWaalsContact O-N 3.11Å; I174-S177 PolarHBondContact O-OG 3.19Å; I175-S177 PolarHBondContact O-N 3.28Å; S177-Y179 VanDerWaalsContact C-N 3.26Å; S177-Y179 PolarHBondContact O-N 3.42Å; S177-Y179 PolarHBondContact OG-N 3.36Å; S177-Q180 WeakPolarHBondContact O-CB 3.46Å; S177-Q180 VanDerWaalsContact O-CG 3.3Å; S177-Q180 WeakPolarHBondContact O-CG 3.25Å; S177-Q180 PolarHBondContact O-N 3.08Å; S177-Q180 PolarHBondContact OG-N 2.76Å; S177-G181 WeakPolarHBondContact CB-O 3.27Å
178	N	96	Very high	95.7	Very high	127 Å²	127	37.2 Å²	37.2	68%	0.679	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	41.7	-167.6	-56.4	-50.4	0	0	0	111.9	I174 I175 K176 Q180	I174-N178 PolarHBondContact O-N 3.28Å; I175-N178 WeakPolarHBondContact O-CA 3.39Å; I175-N178 PolarHBondContact O-N 3.33Å; K176-N178 PolarHBondContact O-N 2.92Å; N178-Q180 PolarHBondContact O-N 2.93Å; N178-Q180 PolarHBondContact O-NE2 3.08Å
179	Y	95.6	Very high	96.1	Very high	118 Å²	118	37 Å²	37	46%	0.463	19%	0.188	S	C	.	.	S	Bend	trans	53.7	36.9	-178.2	-56.2	-92	0	0	0	112.9	I174 I175 S177	I174-Y179 HydrophobicContact CG2-CD1 3.65Å; I174-Y179 HydrophobicContact CG2-CE1 4.06Å; I174-Y179 HydrophobicContact CG2-CG 4.41Å; I174-Y179 PolarHBondContact O-N 3.08Å; I174-Y179 VanDerWaalsContact O-N 3.08Å; I175-Y179 HydrophobicContact CG1-CE1 4.44Å; I175-Y179 HydrophobicContact CG1-CE2 4.45Å; S177-Y179 VanDerWaalsContact C-N 3.26Å; S177-Y179 PolarHBondContact O-N 3.42Å; S177-Y179 PolarHBondContact OG-N 3.36Å
180	Q	96.9	Very high	96.4	Very high	152 Å²	152	36.5 Å²	36.5	71%	0.71	19%	0.186	S	C	*	.	S	Bend	trans	-99	4.1	175.1	-62.1	-61	-67.7	0	0	112.7	S177 N178	S177-Q180 WeakPolarHBondContact O-CB 3.46Å; S177-Q180 VanDerWaalsContact O-CG 3.3Å; S177-Q180 WeakPolarHBondContact O-CG 3.25Å; S177-Q180 PolarHBondContact O-N 3.08Å; S177-Q180 PolarHBondContact OG-N 2.76Å; N178-Q180 PolarHBondContact O-N 2.93Å; N178-Q180 PolarHBondContact O-NE2 3.08Å
181	G	96.9	Very high	96.5	Very high	10 Å²	10	36.5 Å²	36.5	10%	0.103	19%	0.186	C	C	.	.			trans	79.5	172.8	-173.1	0	0	0	0	0	113.5	S177 L454	S177-G181 WeakPolarHBondContact CB-O 3.27Å; G181-L454 CarbonylContact C-O 3.2Å
182	L	98.3	Very high	96.7	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	19%	0.188	C	C	.	.			trans	-101.9	155.2	175.9	-80.3	66.8	0	0	0	109.5	I174 V184 V187 I190 P392 L393 L454	I174-L182 HydrophobicContact CG1-CD1 4.16Å; L182-V184 PolarHBondContact O-N 3.06Å; L182-V187 HydrophobicContact CB-CG2 3.89Å; L182-I190 HydrophobicContact CD2-CD1 3.92Å; L182-P392 HydrophobicContact CD2-CB 4.06Å; L182-P392 HydrophobicContact CD2-CG 4.45Å; L182-L393 HydrophobicContact CD1-CD2 4.47Å; L182-L393 HydrophobicContact CG-CD2 4.19Å; L182-L454 WeakPolarHBondContact CB-O 3.41Å; L182-L454 HydrophobicContact CD1-CD2 4.41Å; L182-L454 HydrophobicContact CD2-CD2 4.44Å; L182-L454 PolarHBondContact N-O 3.4Å
183	P	98.2	Very high	97	Very high	31 Å²	31	37.9 Å²	37.9	20%	0.201	19%	0.189	C	C	.	.			trans	-54.4	132.5	172.9	-24.5	32.9	0	0	0	112.4	P185 C186 V187 P392 L393 P395	P183-P185 VanDerWaalsContact C-CD 3.41Å; P183-P185 VanDerWaalsContact C-N 3.31Å; P183-P185 VanDerWaalsContact O-N 3.15Å; P183-C186 WeakPolarHBondContact O-CA 3.33Å; P183-C186 VanDerWaalsContact O-CB 3.27Å; P183-C186 WeakPolarHBondContact O-CB 3.46Å; P183-C186 PolarHBondContact O-N 2.94Å; P183-V187 PolarHBondContact O-N 3.1Å; P183-P392 WeakPolarHBondContact CD-O 3.48Å; P183-L393 VanDerWaalsContact CG-O 3.27Å; P183-L393 WeakPolarHBondContact CG-O 3.35Å; P183-P395 HydrophobicContact CB-CB 4.13Å; P183-P395 HydrophobicContact CB-CG 3.82Å; P183-P395 HydrophobicContact CG-CG 3.91Å
184	V	97.4	Very high	97.2	Very high	26 Å²	26	37.3 Å²	37.3	16%	0.158	19%	0.187	C	C	.	.	H	α-helix	trans	-49.7	-41.4	-178.4	176.6	0	0	0	0	113.8	L182 C186 V187 K188 W528 W562	L182-V184 PolarHBondContact O-N 3.06Å; V184-C186 VanDerWaalsContact C-N 3.28Å; V184-C186 PolarHBondContact O-N 3.13Å; V184-V187 PolarHBondContact O-N 2.72Å; V184-K188 HydrophobicContact CG1-CD 4.33Å; V184-K188 HydrophobicContact CG1-CG 4.38Å; V184-K188 WeakPolarHBondContact O-CG 3.31Å; V184-K188 PolarHBondContact O-N 3.33Å; V184-W528 HydrophobicContact CG2-CH2 3.68Å; V184-W528 HydrophobicContact CG2-CZ2 4.1Å; V184-W528 HydrophobicContact CG2-CZ3 4.24Å; V184-W562 HydrophobicContact CG1-CZ2 4.26Å
185	P	97.8	Very high	97.4	Very high	66 Å²	66	37.3 Å²	37.3	43%	0.429	19%	0.187	S	C	.	.	H	α-helix	trans	-58.2	-38.1	174.6	-26.1	36.4	0	0	0	113.6	P183 S189 A398	P183-P185 VanDerWaalsContact C-CD 3.41Å; P183-P185 VanDerWaalsContact C-N 3.31Å; P183-P185 VanDerWaalsContact O-N 3.15Å; P185-S189 PolarHBondContact O-N 3.1Å; P185-S189 VanDerWaalsContact O-N 3.1Å; P185-A398 HydrophobicContact CB-CB 3.93Å
186	C	98.4	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.5	-42.4	176.4	-60.2	0	0	0	0	111	P183 V184 K188 S189 I190 P392 E394 I401	P183-C186 WeakPolarHBondContact O-CA 3.33Å; P183-C186 VanDerWaalsContact O-CB 3.27Å; P183-C186 WeakPolarHBondContact O-CB 3.46Å; P183-C186 PolarHBondContact O-N 2.94Å; V184-C186 VanDerWaalsContact C-N 3.28Å; V184-C186 PolarHBondContact O-N 3.13Å; C186-K188 PolarHBondContact O-N 3.24Å; C186-S189 WeakPolarHBondContact O-CB 3.27Å; C186-S189 PolarHBondContact O-N 3.28Å; C186-S189 VanDerWaalsContact O-N 3.16Å; C186-I190 VanDerWaalsContact O-CG1 3.31Å; C186-I190 WeakPolarHBondContact O-CG1 3.3Å; C186-I190 PolarHBondContact O-N 3.4Å; C186-P392 PolarHBondContact SG-O 3.19Å; C186-P392 VanDerWaalsContact SG-O 3.35Å; C186-E394 PolarHBondContact SG-O 3.42Å; C186-I401 HydrophobicContact CB-CD1 3.63Å
187	V	98.6	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-48	174.9	-176.5	0	0	0	0	110.7	L182 P183 V184 S189 I190 V191 L454 A455 W562	L182-V187 HydrophobicContact CB-CG2 3.89Å; P183-V187 PolarHBondContact O-N 3.1Å; V184-V187 PolarHBondContact O-N 2.72Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 2.84Å; V187-I190 PolarHBondContact O-N 3.09Å; V187-V191 HydrophobicContact CG1-CG2 4.01Å; V187-V191 WeakPolarHBondContact O-CB 3.49Å; V187-V191 VanDerWaalsContact O-CG2 3.32Å; V187-V191 WeakPolarHBondContact O-CG2 3.33Å; V187-V191 PolarHBondContact O-N 3.41Å; V187-L454 HydrophobicContact CG1-CB 4.05Å; V187-L454 HydrophobicContact CG2-CB 4.15Å; V187-A455 HydrophobicContact CG1-CB 4.41Å; V187-A455 HydrophobicContact CG2-CB 4.34Å; V187-W562 HydrophobicContact CG1-CH2 4.19Å
188	K	98.5	Very high	98.1	Very high	29 Å²	29	34 Å²	34	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-55.1	-45.2	174.4	-72.1	178.7	177.4	-157.6	0	111.7	V184 C186 R192 W562 L563	V184-K188 HydrophobicContact CG1-CD 4.33Å; V184-K188 HydrophobicContact CG1-CG 4.38Å; V184-K188 WeakPolarHBondContact O-CG 3.31Å; V184-K188 PolarHBondContact O-N 3.33Å; C186-K188 PolarHBondContact O-N 3.24Å; K188-R192 VanDerWaalsContact O-CB 3.27Å; K188-R192 WeakPolarHBondContact O-CB 3.46Å; K188-R192 PolarHBondContact O-N 3.49Å; K188-W562 HydrophobicContact CB-CH2 4.33Å; K188-W562 HydrophobicContact CB-CZ3 4.48Å; K188-W562 HydrophobicContact CD-CD2 4.46Å; K188-W562 HydrophobicContact CD-CZ2 4.34Å; K188-W562 VanDerWaalsContact CD-O 3.25Å; K188-W562 WeakPolarHBondContact CD-O 3.17Å; K188-W562 VanDerWaalsContact CE-CE2 3.4Å; K188-W562 VanDerWaalsContact CE-NE1 3.32Å; K188-W562 WeakPolarHBondContact CE-O 2.84Å; K188-W562 HydrophobicContact CG-CD2 4.03Å; K188-W562 HydrophobicContact CG-CE3 4.07Å; K188-W562 HydrophobicContact CG-CH2 3.51Å; K188-W562 HydrophobicContact CG-CZ2 3.46Å; K188-W562 VanDerWaalsContact CG-CZ2 3.46Å; K188-W562 HydrophobicContact CG-CZ3 3.83Å; K188-W562 PolarHBondContact NZ-O 3.35Å; K188-L563 HydrophobicContact CB-CD2 4.3Å; K188-L563 WeakPolarHBondContact O-CD2 3.49Å
189	S	98.1	Very high	98.2	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-43.7	178.5	-171.4	0	0	0	0	113.3	P185 C186 V187 Q193 A398	P185-S189 PolarHBondContact O-N 3.1Å; P185-S189 VanDerWaalsContact O-N 3.1Å; C186-S189 WeakPolarHBondContact O-CB 3.27Å; C186-S189 PolarHBondContact O-N 3.28Å; C186-S189 VanDerWaalsContact O-N 3.16Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 2.84Å; S189-Q193 WeakPolarHBondContact O-CG 3.48Å; S189-Q193 PolarHBondContact O-N 2.86Å; S189-Q193 PolarHBondContact O-NE2 2.97Å; S189-Q193 VanDerWaalsContact O-NE2 3.07Å; S189-Q193 PolarHBondContact OG-NE2 2.77Å; S189-A398 VanDerWaalsContact CB-O 3.23Å; S189-A398 WeakPolarHBondContact CB-O 3.49Å; S189-A398 PolarHBondContact OG-O 3.37Å
190	I	98.6	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-54.8	178.6	-69.1	165.2	0	0	0	110.2	L170 L182 C186 V187 R192 Q193 V194 I401 I403 L454	L170-I190 HydrophobicContact CD1-CD1 4.3Å; L170-I190 HydrophobicContact CD1-CG2 3.5Å; L170-I190 VanDerWaalsContact CD1-CG2 3.5Å; L170-I190 HydrophobicContact CD2-CD1 3.93Å; L182-I190 HydrophobicContact CD2-CD1 3.92Å; C186-I190 VanDerWaalsContact O-CG1 3.31Å; C186-I190 WeakPolarHBondContact O-CG1 3.3Å; C186-I190 PolarHBondContact O-N 3.4Å; V187-I190 PolarHBondContact O-N 3.09Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 2.92Å; I190-Q193 PolarHBondContact O-N 3.34Å; I190-V194 HydrophobicContact CG2-CG2 4.37Å; I190-V194 WeakPolarHBondContact O-CG2 3.49Å; I190-V194 PolarHBondContact O-N 2.89Å; I190-I401 HydrophobicContact CG1-CG2 3.82Å; I190-I403 HydrophobicContact CG1-CG2 4.31Å; I190-L454 HydrophobicContact CG2-CD1 4Å
191	V	98.8	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-40.1	-175.9	172.7	0	0	0	0	111.1	V187 Q193 V194 L195 T447 A451 F539 W562 L563	V187-V191 HydrophobicContact CG1-CG2 4.01Å; V187-V191 WeakPolarHBondContact O-CB 3.49Å; V187-V191 VanDerWaalsContact O-CG2 3.32Å; V187-V191 WeakPolarHBondContact O-CG2 3.33Å; V187-V191 PolarHBondContact O-N 3.41Å; V191-Q193 VanDerWaalsContact C-N 3.32Å; V191-Q193 PolarHBondContact O-N 3.46Å; V191-V194 PolarHBondContact O-N 3.45Å; V191-L195 HydrophobicContact CG1-CD1 3.87Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 WeakPolarHBondContact O-CG 3.38Å; V191-L195 PolarHBondContact O-N 3.44Å; V191-T447 HydrophobicContact CG1-CG2 4.45Å; V191-A451 HydrophobicContact CG2-CB 3.72Å; V191-F539 HydrophobicContact CG1-CE1 3.93Å; V191-F539 HydrophobicContact CG1-CZ 3.84Å; V191-W562 HydrophobicContact CB-CZ3 4.5Å; V191-W562 HydrophobicContact CG1-CZ3 4.45Å; V191-L563 HydrophobicContact CG1-CD2 4.43Å
192	R	98.8	Very high	98.6	Very high	59 Å²	59	16.2 Å²	16.2	22%	0.223	8%	0.084	C	C	.	.	H	α-helix	trans	-57.9	-43.5	174.6	-164.6	-175.1	-51	99.4	1.1	112.5	K188 I190 L195 H196 L558 L563	K188-R192 VanDerWaalsContact O-CB 3.27Å; K188-R192 WeakPolarHBondContact O-CB 3.46Å; K188-R192 PolarHBondContact O-N 3.49Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 2.92Å; R192-L195 PolarHBondContact O-N 3.21Å; R192-H196 PolarHBondContact O-N 2.85Å; R192-H196 PolarHBondContact O-ND1 3.23Å; R192-L558 HydrophobicContact CG-CD2 3.83Å; R192-L558 WeakPolarHBondContact O-CD2 3.26Å; R192-L563 HydrophobicContact CB-CD1 4.36Å; R192-L563 HydrophobicContact CB-CD2 4.18Å; R192-L563 HydrophobicContact CG-CD1 4.42Å; R192-L563 PolarHBondContact NE-O 3.24Å; R192-L563 PolarHBondContact NH2-O 3.48Å
193	Q	98.7	Very high	98.6	Very high	21 Å²	21	18.7 Å²	18.7	10%	0.098	10%	0.1	C	C	.	.	H	α-helix	trans	-71.4	-36	179.4	-71.1	175.8	80.8	0	0	112.1	S189 I190 V191 H196 G197 I401 I403	S189-Q193 WeakPolarHBondContact O-CG 3.48Å; S189-Q193 PolarHBondContact O-N 2.86Å; S189-Q193 PolarHBondContact O-NE2 2.97Å; S189-Q193 VanDerWaalsContact O-NE2 3.07Å; S189-Q193 PolarHBondContact OG-NE2 2.77Å; I190-Q193 PolarHBondContact O-N 3.34Å; V191-Q193 VanDerWaalsContact C-N 3.32Å; V191-Q193 PolarHBondContact O-N 3.46Å; Q193-H196 PolarHBondContact O-N 2.89Å; Q193-G197 PolarHBondContact O-N 2.89Å; Q193-G197 VanDerWaalsContact O-N 3.1Å; Q193-I401 PolarHBondContact NE2-O 3.26Å; Q193-I403 HydrophobicContact CB-CD1 3.55Å; Q193-I403 HydrophobicContact CB-CG1 3.54Å; Q193-I403 HydrophobicContact CG-CG1 4.46Å
194	V	98.9	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-46.3	172.6	173.5	0	0	0	0	110.1	I190 V191 H196 G197 L198 I217 I403 I405 T447 M450	I190-V194 HydrophobicContact CG2-CG2 4.37Å; I190-V194 WeakPolarHBondContact O-CG2 3.49Å; I190-V194 PolarHBondContact O-N 2.89Å; V191-V194 PolarHBondContact O-N 3.45Å; V194-H196 VanDerWaalsContact C-N 3.35Å; V194-H196 PolarHBondContact O-N 2.99Å; V194-G197 PolarHBondContact O-N 2.86Å; V194-G197 VanDerWaalsContact O-N 3.09Å; V194-L198 HydrophobicContact CG1-CD1 4.15Å; V194-L198 HydrophobicContact CG1-CG 4.36Å; V194-L198 WeakPolarHBondContact O-CG 3.46Å; V194-L198 PolarHBondContact O-N 3.16Å; V194-I217 HydrophobicContact CG2-CD1 3.92Å; V194-I217 HydrophobicContact CG2-CG1 4.2Å; V194-I217 HydrophobicContact CG2-CG2 4.18Å; V194-I403 HydrophobicContact CG2-CD1 3.89Å; V194-I405 HydrophobicContact CG1-CD1 4.35Å; V194-T447 HydrophobicContact CG1-CG2 4.04Å; V194-M450 HydrophobicContact CB-CE 4.46Å; V194-M450 HydrophobicContact CG1-CE 4.03Å; V194-M450 HydrophobicContact CG2-CE 4Å
195	L	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-36.1	178	-68.6	166.8	0	0	0	112.6	V191 R192 G197 L198 D199 I444 T447 F539 M543 A554 C557 L558 L563	V191-L195 HydrophobicContact CG1-CD1 3.87Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 WeakPolarHBondContact O-CG 3.38Å; V191-L195 PolarHBondContact O-N 3.44Å; R192-L195 PolarHBondContact O-N 3.21Å; L195-G197 VanDerWaalsContact C-N 3.32Å; L195-G197 PolarHBondContact O-N 3.3Å; L195-L198 PolarHBondContact O-N 3.3Å; L195-D199 VanDerWaalsContact O-CB 3.3Å; L195-D199 WeakPolarHBondContact O-CB 3.43Å; L195-D199 PolarHBondContact O-N 3.18Å; L195-I444 HydrophobicContact CD2-CD1 4.24Å; L195-T447 HydrophobicContact CD2-CG2 4.21Å; L195-F539 HydrophobicContact CD1-CZ 4.02Å; L195-M543 HydrophobicContact CD2-CE 4.29Å; L195-A554 HydrophobicContact CD2-CB 4.24Å; L195-C557 HydrophobicContact CD1-CB 3.58Å; L195-C557 HydrophobicContact CD2-CB 3.92Å; L195-C557 HydrophobicContact CG-CB 4.36Å; L195-L558 HydrophobicContact CB-CD1 4.38Å; L195-L558 HydrophobicContact CB-CD2 3.83Å; L195-L558 HydrophobicContact CB-CG 3.85Å; L195-L563 HydrophobicContact CD1-CD1 3.65Å
196	H	98.8	Very high	98.7	Very high	62 Å²	62	22.4 Å²	22.4	29%	0.287	10%	0.104	S	C	.	.	H	α-helix	trans	-58	-44.3	169.8	-76.7	150.7	0	0	0	112.2	K138 T141 R192 Q193 V194 D199 Y200 L558	K138-H196 HydrophobicContact CB-CB 4.42Å; K138-H196 HydrophobicContact CG-CB 4.07Å; T141-H196 HydrophobicContact CG2-CB 4.13Å; R192-H196 PolarHBondContact O-N 2.85Å; R192-H196 PolarHBondContact O-ND1 3.23Å; Q193-H196 PolarHBondContact O-N 2.89Å; V194-H196 VanDerWaalsContact C-N 3.35Å; V194-H196 PolarHBondContact O-N 2.99Å; H196-D199 PolarHBondContact O-N 3.1Å; H196-Y200 PolarHBondContact O-N 3.36Å; H196-Y200 VanDerWaalsContact O-N 3.12Å; H196-L558 VanDerWaalsContact CD2-CD1 3.42Å; H196-L558 WeakPolarHBondContact CD2-CD1 3.38Å
197	G	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.1	-44.7	178.5	0	0	0	0	0	112.6	T141 Q193 V194 L195 D199 Y200 L201	T141-G197 WeakPolarHBondContact OG1-CA 3.35Å; T141-G197 PolarHBondContact OG1-N 3.35Å; T141-G197 VanDerWaalsContact OG1-N 3.07Å; Q193-G197 PolarHBondContact O-N 2.89Å; Q193-G197 VanDerWaalsContact O-N 3.1Å; V194-G197 PolarHBondContact O-N 2.86Å; V194-G197 VanDerWaalsContact O-N 3.09Å; L195-G197 VanDerWaalsContact C-N 3.32Å; L195-G197 PolarHBondContact O-N 3.3Å; G197-D199 PolarHBondContact O-N 2.92Å; G197-Y200 PolarHBondContact O-N 3.42Å; G197-L201 WeakPolarHBondContact O-CG 3.29Å; G197-L201 PolarHBondContact O-N 3.19Å
198	L	98.9	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-42.3	175.8	-69.8	-178.3	0	0	0	111.9	V194 L195 Y200 L201 H202 H209 I212 I405 D443 I444 T447 A554	V194-L198 HydrophobicContact CG1-CD1 4.15Å; V194-L198 HydrophobicContact CG1-CG 4.36Å; V194-L198 WeakPolarHBondContact O-CG 3.46Å; V194-L198 PolarHBondContact O-N 3.16Å; L195-L198 PolarHBondContact O-N 3.3Å; L198-Y200 VanDerWaalsContact C-N 3.3Å; L198-Y200 PolarHBondContact O-N 3.4Å; L198-L201 HydrophobicContact CD2-CD1 4.32Å; L198-L201 PolarHBondContact O-N 3.33Å; L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 3.37Å; L198-H202 PolarHBondContact O-CD2 3.08Å; L198-H202 PolarHBondContact O-N 2.84Å; L198-H209 HydrophobicContact CD2-CB 4.44Å; L198-I212 HydrophobicContact CD2-CD1 3.9Å; L198-I212 HydrophobicContact CD2-CG1 4.08Å; L198-I405 HydrophobicContact CD2-CD1 4.11Å; L198-I405 HydrophobicContact CG-CD1 4.11Å; L198-D443 HydrophobicContact CD1-CB 4.05Å; L198-D443 HydrophobicContact CD2-CB 3.87Å; L198-I444 HydrophobicContact CD1-CD1 4.26Å; L198-T447 WeakPolarHBondContact CD1-OG1 3.48Å; L198-A554 HydrophobicContact CB-CB 4.1Å
199	D	98.9	Very high	98.7	Very high	13 Å²	13	21 Å²	21	7%	0.07	10%	0.098	C	C	.	.	H	α-helix	trans	-58.5	-42.9	175.5	-175.3	50.4	0	0	0	111.4	K138 L195 H196 G197 T203 A554 L558	K138-D199 IonicContact NZ-OD2 2.9Å; K138-D199 PolarHBondContact NZ-OD2 3.01Å; L195-D199 VanDerWaalsContact O-CB 3.3Å; L195-D199 WeakPolarHBondContact O-CB 3.43Å; L195-D199 PolarHBondContact O-N 3.18Å; H196-D199 PolarHBondContact O-N 3.1Å; G197-D199 PolarHBondContact O-N 2.92Å; D199-T203 VanDerWaalsContact O-CB 3.26Å; D199-T203 WeakPolarHBondContact O-CB 3.36Å; D199-T203 VanDerWaalsContact O-CG2 3.3Å; D199-T203 WeakPolarHBondContact O-CG2 3.48Å; D199-T203 PolarHBondContact O-N 2.99Å; D199-T203 PolarHBondContact O-OG1 3.32Å; D199-T203 VanDerWaalsContact OD1-CG2 3.24Å; D199-T203 WeakPolarHBondContact OD1-CG2 3.48Å; D199-A554 HydrophobicContact CB-CB 3.81Å; D199-L558 HydrophobicContact CB-CD1 4.38Å
200	Y	98.9	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-44.9	174.6	-177.3	-93.1	0	0	0	112.8	V129 D133 D136 K138 R139 I142 H196 G197 L198 H202 K204 C205	V129-Y200 HydrophobicContact CG1-CE1 4.11Å; V129-Y200 WeakPolarHBondContact O-CE1 3.42Å; V129-Y200 PolarHBondContact O-OH 3Å; D133-Y200 HydrophobicContact CB-CE2 4.05Å; D133-Y200 PolarHBondContact N-OH 3.04Å; D133-Y200 VanDerWaalsContact N-OH 3.14Å; D133-Y200 PolarHBondContact O-OH 3.18Å; D136-Y200 HydrophobicContact CB-CD2 3.94Å; D136-Y200 HydrophobicContact CB-CE2 3.81Å; K138-Y200 HydrophobicContact CB-CD2 4.41Å; K138-Y200 HydrophobicContact CB-CG 4.46Å; R139-Y200 HydrophobicContact CB-CD1 4.39Å; R139-Y200 HydrophobicContact CB-CD2 4.2Å; R139-Y200 HydrophobicContact CB-CE1 3.95Å; R139-Y200 HydrophobicContact CB-CE2 3.77Å; R139-Y200 HydrophobicContact CG-CE1 3.76Å; R139-Y200 HydrophobicContact CG-CE2 4.29Å; I142-Y200 HydrophobicContact CD1-CD1 3.42Å; I142-Y200 VanDerWaalsContact CD1-CD1 3.42Å; I142-Y200 HydrophobicContact CD1-CE1 4.19Å; I142-Y200 HydrophobicContact CD1-CG 4.22Å; H196-Y200 PolarHBondContact O-N 3.36Å; H196-Y200 VanDerWaalsContact O-N 3.12Å; G197-Y200 PolarHBondContact O-N 3.42Å; L198-Y200 VanDerWaalsContact C-N 3.3Å; L198-Y200 PolarHBondContact O-N 3.4Å; Y200-H202 PolarHBondContact O-N 3.29Å; Y200-K204 HydrophobicContact CD2-CB 3.98Å; Y200-K204 HydrophobicContact CD2-CG 3.63Å; Y200-K204 HydrophobicContact CE2-CB 3.91Å; Y200-K204 HydrophobicContact CE2-CG 3.84Å; Y200-K204 HydrophobicContact CG-CB 4.42Å; Y200-K204 HydrophobicContact CG-CG 4.34Å; Y200-K204 WeakPolarHBondContact O-CA 3.48Å; Y200-K204 VanDerWaalsContact O-CB 3.3Å; Y200-K204 WeakPolarHBondContact O-CB 3.4Å; Y200-K204 PolarHBondContact O-N 3.16Å; Y200-C205 VanDerWaalsContact CD1-SG 3.58Å; Y200-C205 WeakPolarHBondContact CE1-SG 3.24Å; Y200-C205 PolarHBondContact O-N 2.98Å; Y200-C205 VanDerWaalsContact O-N 3.16Å
201	L	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-60.1	-46.3	177.3	-72.1	177.2	0	0	0	111.6	V129 I142 G197 L198 C205 K206 I207 H209	V129-L201 HydrophobicContact CG2-CD2 3.6Å; I142-L201 HydrophobicContact CD1-CD1 4.48Å; I142-L201 HydrophobicContact CD1-CD2 3.75Å; I142-L201 HydrophobicContact CD1-CG 3.72Å; I142-L201 HydrophobicContact CG1-CD2 4.5Å; I142-L201 HydrophobicContact CG1-CG 4.35Å; G197-L201 WeakPolarHBondContact O-CG 3.29Å; G197-L201 PolarHBondContact O-N 3.19Å; L198-L201 HydrophobicContact CD2-CD1 4.32Å; L198-L201 PolarHBondContact O-N 3.33Å; L201-C205 CarbonylContact O-C 3.47Å; L201-C205 WeakPolarHBondContact O-CA 3.32Å; L201-C205 WeakPolarHBondContact O-CB 3.5Å; L201-C205 PolarHBondContact O-N 3.46Å; L201-K206 PolarHBondContact O-N 3.16Å; L201-I207 CarbonylContact C-O 3.58Å; L201-I207 HydrophobicContact CB-CB 4.49Å; L201-I207 HydrophobicContact CD2-CB 4.27Å; L201-I207 HydrophobicContact CD2-CD1 4.45Å; L201-I207 HydrophobicContact CD2-CG2 4.25Å; L201-I207 PolarHBondContact O-N 2.89Å; L201-H209 HydrophobicContact CD1-CB 4.42Å
202	H	98.8	Very high	98.7	Very high	20 Å²	20	21 Å²	21	9%	0.093	10%	0.098	C	C	.	.	I	π-helix	trans	-75.2	-44.1	-174.7	-61.5	178	0	0	0	111.9	L198 Y200 K206 I207 P440 D443	L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 3.37Å; L198-H202 PolarHBondContact O-CD2 3.08Å; L198-H202 PolarHBondContact O-N 2.84Å; Y200-H202 PolarHBondContact O-N 3.29Å; H202-K206 WeakPolarHBondContact O-CD 3.3Å; H202-K206 PolarHBondContact O-NZ 2.81Å; H202-I207 PolarHBondContact CD2-O 3.47Å; H202-I207 VanDerWaalsContact CD2-O 3.29Å; H202-P440 HydrophobicContact CB-CB 4.18Å; H202-P440 PolarHBondContact CE1-O 3.19Å; H202-D443 IonicContact CD2-OD2 2.71Å; H202-D443 IonicContact CE1-OD2 3.86Å; H202-D443 IonicContact NE2-OD2 2.77Å; H202-D443 PolarHBondContact NE2-OD2 3Å
203	T	98.6	Very high	98.7	Very high	60 Å²	60	18.4 Å²	18.4	37%	0.368	9%	0.088	S	C	.	.	I	π-helix	trans	-87.4	-44.5	-172.2	67.2	0	0	0	0	112.9	D199 K206	D199-T203 VanDerWaalsContact O-CB 3.26Å; D199-T203 WeakPolarHBondContact O-CB 3.36Å; D199-T203 VanDerWaalsContact O-CG2 3.3Å; D199-T203 WeakPolarHBondContact O-CG2 3.48Å; D199-T203 PolarHBondContact O-N 2.99Å; D199-T203 PolarHBondContact O-OG1 3.32Å; D199-T203 VanDerWaalsContact OD1-CG2 3.24Å; D199-T203 WeakPolarHBondContact OD1-CG2 3.48Å; T203-K206 WeakPolarHBondContact O-CE 3.32Å; T203-K206 PolarHBondContact O-NZ 2.82Å
204	K	98.5	Very high	98.7	Very high	87 Å²	87	17.4 Å²	17.4	38%	0.378	8%	0.083	S	C	.	.	I	π-helix	trans	-90.8	-46	-176	-53.4	-63.9	-175.4	143	0	111.9	D133 D136 Y200	D133-K204 HydrophobicContact CB-CD 4.22Å; D133-K204 HydrophobicContact CB-CG 4.38Å; D133-K204 IonicContact OD2-NZ 3.22Å; D133-K204 PolarHBondContact OD2-NZ 3.04Å; D136-K204 WeakPolarHBondContact OD2-CE 3.42Å; D136-K204 IonicContact OD2-NZ 3.49Å; Y200-K204 HydrophobicContact CD2-CB 3.98Å; Y200-K204 HydrophobicContact CD2-CG 3.63Å; Y200-K204 HydrophobicContact CE2-CB 3.91Å; Y200-K204 HydrophobicContact CE2-CG 3.84Å; Y200-K204 HydrophobicContact CG-CB 4.42Å; Y200-K204 HydrophobicContact CG-CG 4.34Å; Y200-K204 WeakPolarHBondContact O-CA 3.48Å; Y200-K204 VanDerWaalsContact O-CB 3.3Å; Y200-K204 WeakPolarHBondContact O-CB 3.4Å; Y200-K204 PolarHBondContact O-N 3.16Å
205	C	98.6	Very high	98.5	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.041	9%	0.09	C	C	.	.	I	π-helix	trans	-89.4	-24.2	-172.9	-49.6	0	0	0	0	113.2	Y200 L201 I207 W413	Y200-C205 VanDerWaalsContact CD1-SG 3.58Å; Y200-C205 WeakPolarHBondContact CE1-SG 3.24Å; Y200-C205 PolarHBondContact O-N 2.98Å; Y200-C205 VanDerWaalsContact O-N 3.16Å; L201-C205 CarbonylContact O-C 3.47Å; L201-C205 WeakPolarHBondContact O-CA 3.32Å; L201-C205 WeakPolarHBondContact O-CB 3.5Å; L201-C205 PolarHBondContact O-N 3.46Å; C205-I207 VanDerWaalsContact C-N 3.26Å; C205-I207 HydrophobicContact CB-CB 4.17Å; C205-I207 HydrophobicContact CB-CD1 3.68Å; C205-I207 HydrophobicContact CB-CG1 3.77Å; C205-I207 PolarHBondContact O-N 2.95Å; C205-W413 VanDerWaalsContact O-CZ3 3.23Å; C205-W413 WeakPolarHBondContact O-CZ3 3.45Å
206	K	98.7	Very high	98.5	Very high	107 Å²	107	19 Å²	19	47%	0.465	9%	0.091	S	C	.	.			trans	57.4	41.2	-169.1	-50.1	-62.8	167.3	-161.1	0	112	L201 H202 T203 W413 V414	L201-K206 PolarHBondContact O-N 3.16Å; H202-K206 WeakPolarHBondContact O-CD 3.3Å; H202-K206 PolarHBondContact O-NZ 2.81Å; T203-K206 WeakPolarHBondContact O-CE 3.32Å; T203-K206 PolarHBondContact O-NZ 2.82Å; K206-W413 WeakPolarHBondContact O-CA 3.13Å; K206-V414 HydrophobicContact CB-CB 4.42Å; K206-V414 HydrophobicContact CB-CG2 4.34Å; K206-V414 WeakPolarHBondContact O-CG2 3.45Å; K206-V414 PolarHBondContact O-N 2.88Å
207	I	98.8	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.3	176.9	-67.1	174.4	0	0	0	108.9	L125 V129 L201 H202 C205 A411 C412 W413	L125-I207 HydrophobicContact CB-CD1 4.29Å; L125-I207 HydrophobicContact CD2-CD1 3.72Å; L125-I207 HydrophobicContact CD2-CG1 3.79Å; L125-I207 HydrophobicContact CD2-CG2 4.19Å; V129-I207 HydrophobicContact CG2-CD1 3.9Å; L201-I207 CarbonylContact C-O 3.58Å; L201-I207 HydrophobicContact CB-CB 4.49Å; L201-I207 HydrophobicContact CD2-CB 4.27Å; L201-I207 HydrophobicContact CD2-CD1 4.45Å; L201-I207 HydrophobicContact CD2-CG2 4.25Å; L201-I207 PolarHBondContact O-N 2.89Å; H202-I207 PolarHBondContact CD2-O 3.47Å; H202-I207 VanDerWaalsContact CD2-O 3.29Å; C205-I207 VanDerWaalsContact C-N 3.26Å; C205-I207 HydrophobicContact CB-CB 4.17Å; C205-I207 HydrophobicContact CB-CD1 3.68Å; C205-I207 HydrophobicContact CB-CG1 3.77Å; C205-I207 PolarHBondContact O-N 2.95Å; I207-A411 HydrophobicContact CG2-CB 4.06Å; I207-C412 CarbonylContact C-O 3.59Å; I207-C412 WeakPolarHBondContact CA-O 3.41Å; I207-W413 HydrophobicContact CD1-CE3 4.39Å; I207-W413 HydrophobicContact CD1-CH2 3.91Å; I207-W413 HydrophobicContact CD1-CZ3 3.72Å; I207-W413 HydrophobicContact CG1-CD2 4.4Å; I207-W413 HydrophobicContact CG1-CE3 3.58Å; I207-W413 HydrophobicContact CG1-CH2 4Å; I207-W413 HydrophobicContact CG1-CZ3 3.35Å
208	I	98.8	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.9	167.1	-49.1	167	0	0	0	106.2	T210 A411 C412 V414 Y438 P440	I208-T210 HydrophobicContact CB-CG2 3.99Å; I208-T210 HydrophobicContact CG2-CG2 3.66Å; I208-A411 VanDerWaalsContact O-CA 3.27Å; I208-A411 WeakPolarHBondContact O-CA 3.48Å; I208-A411 VanDerWaalsContact O-CB 3.3Å; I208-A411 WeakPolarHBondContact O-CB 3.44Å; I208-C412 PolarHBondContact N-O 3.14Å; I208-C412 PolarHBondContact O-N 3.02Å; I208-V414 HydrophobicContact CD1-CG2 4.14Å; I208-V414 HydrophobicContact CG1-CG2 3.73Å; I208-Y438 HydrophobicContact CD1-CD2 4.09Å; I208-Y438 HydrophobicContact CD1-CE2 3.87Å; I208-P440 HydrophobicContact CG1-CG 4.23Å
209	H	98.8	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.			trans	-71.3	-40.9	-177.7	-172.2	-85.8	0	0	0	111.7	L198 L201 D211 I212 A406 D407 A411 D443	L198-H209 HydrophobicContact CD2-CB 4.44Å; L201-H209 HydrophobicContact CD1-CB 4.42Å; H209-D211 PolarHBondContact CE1-O 3.21Å; H209-D211 VanDerWaalsContact ND1-C 3.32Å; H209-D211 PolarHBondContact ND1-N 3.49Å; H209-D211 PolarHBondContact ND1-O 3.35Å; H209-D211 PolarHBondContact O-N 2.87Å; H209-D211 VanDerWaalsContact O-N 3.11Å; H209-I212 HydrophobicContact CB-CD1 3.89Å; H209-I212 HydrophobicContact CB-CG1 4.03Å; H209-I212 WeakPolarHBondContact ND1-CD1 3.12Å; H209-A406 PolarHBondContact NE2-O 3.2Å; H209-A406 VanDerWaalsContact NE2-O 3.13Å; H209-D407 PolarHBondContact NE2-O 3.24Å; H209-A411 VanDerWaalsContact O-CA 3.31Å; H209-A411 WeakPolarHBondContact O-CA 3.28Å; H209-A411 PolarHBondContact O-N 3.01Å; H209-D443 PolarHBondContact N-OD1 2.87Å; H209-D443 PolarHBondContact N-OD2 2.65Å
210	T	98.6	Very high	98.1	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	10%	0.099	C	C	.	.			trans	67.3	-3.7	175.5	76.3	0	0	0	0	116.7	I208 N410 I422 Q423 Y438 D443	I208-T210 HydrophobicContact CB-CG2 3.99Å; I208-T210 HydrophobicContact CG2-CG2 3.66Å; T210-N410 PolarHBondContact OG1-O 3.16Å; T210-I422 HydrophobicContact CG2-CD1 4.1Å; T210-I422 HydrophobicContact CG2-CG2 4.25Å; T210-Q423 WeakPolarHBondContact O-CA 3.43Å; T210-Q423 WeakPolarHBondContact O-CG 3.41Å; T210-Q423 PolarHBondContact O-N 3.22Å; T210-Y438 HydrophobicContact CG2-CE2 4.3Å; T210-D443 PolarHBondContact N-OD1 2.7Å
211	D	98.3	Very high	97.9	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.027	11%	0.106	C	C	.	.			trans	-146.3	51.6	178.4	-163.3	35.7	0	0	0	112.2	H209 K213 N216 N410 T424	H209-D211 PolarHBondContact CE1-O 3.21Å; H209-D211 VanDerWaalsContact ND1-C 3.32Å; H209-D211 PolarHBondContact ND1-N 3.49Å; H209-D211 PolarHBondContact ND1-O 3.35Å; H209-D211 PolarHBondContact O-N 2.87Å; H209-D211 VanDerWaalsContact O-N 3.11Å; D211-K213 PolarHBondContact O-N 3.06Å; D211-K213 WeakPolarHBondContact OD2-CE 3.4Å; D211-K213 IonicContact OD2-NZ 2.69Å; D211-N216 PolarHBondContact O-ND2 3.28Å; D211-N216 PolarHBondContact OD2-ND2 3.4Å; D211-N216 VanDerWaalsContact OD2-ND2 3.11Å; D211-N410 HydrophobicContact CB-CB 4.3Å; D211-N410 PolarHBondContact OD2-ND2 3.26Å; D211-T424 WeakPolarHBondContact OD1-CB 3.35Å; D211-T424 PolarHBondContact OD1-N 2.91Å; D211-T424 VanDerWaalsContact OD1-N 3.14Å; D211-T424 PolarHBondContact OD1-OG1 3.44Å
212	I	98.8	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.			trans	-74.8	123.3	175.1	-64.7	-66.5	0	0	0	109.8	L198 H209 I405 D443 S446 M450	L198-I212 HydrophobicContact CD2-CD1 3.9Å; L198-I212 HydrophobicContact CD2-CG1 4.08Å; H209-I212 HydrophobicContact CB-CD1 3.89Å; H209-I212 HydrophobicContact CB-CG1 4.03Å; H209-I212 WeakPolarHBondContact ND1-CD1 3.12Å; I212-I405 HydrophobicContact CD1-CD1 4.41Å; I212-I405 HydrophobicContact CD1-CG2 3.98Å; I212-D443 HydrophobicContact CG1-CB 4.25Å; I212-S446 WeakPolarHBondContact O-CB 3.24Å; I212-M450 HydrophobicContact CG2-CE 3.87Å; I212-M450 HydrophobicContact CG2-SD 4.19Å
213	K	98.4	Very high	96.9	Very high	3 Å²	3	27 Å²	27	1%	0.013	15%	0.151	C	C	.	.	S	Bend	trans	-168.6	164.5	-178.9	59.4	-176.1	-175.5	162.3	0	110.9	D211 E215 N216 T358 T424 Y427 M450	D211-K213 PolarHBondContact O-N 3.06Å; D211-K213 WeakPolarHBondContact OD2-CE 3.4Å; D211-K213 IonicContact OD2-NZ 2.69Å; K213-E215 WeakPolarHBondContact CD-OE1 3.34Å; K213-E215 WeakPolarHBondContact CD-OE2 3.19Å; K213-E215 WeakPolarHBondContact CE-OE1 3.28Å; K213-E215 HydrophobicContact CG-CB 4.45Å; K213-E215 WeakPolarHBondContact CG-OE2 3.37Å; K213-E215 IonicContact NZ-OE1 3.16Å; K213-E215 PolarHBondContact NZ-OE1 3.29Å; K213-E215 PolarHBondContact O-N 3.03Å; K213-E215 VanDerWaalsContact O-N 3.1Å; K213-N216 HydrophobicContact CG-CB 4.36Å; K213-N216 PolarHBondContact O-N 2.61Å; K213-T358 PolarHBondContact NZ-OG1 3.09Å; K213-T424 HydrophobicContact CD-CG2 4.2Å; K213-T424 WeakPolarHBondContact CD-OG1 3.35Å; K213-T424 WeakPolarHBondContact CE-OG1 3.49Å; K213-T424 PolarHBondContact NZ-OG1 3.45Å; K213-Y427 HydrophobicContact CB-CD1 4.35Å; K213-Y427 HydrophobicContact CB-CD2 3.79Å; K213-Y427 HydrophobicContact CB-CE1 4.14Å; K213-Y427 HydrophobicContact CB-CE2 3.51Å; K213-Y427 HydrophobicContact CB-CG 4.19Å; K213-Y427 HydrophobicContact CD-CE2 4.26Å; K213-M450 VanDerWaalsContact C-SD 3.55Å
214	P	98.3	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-55.1	-29.1	-176.8	-26.9	35.5	0	0	0	115.6	L170 L171 I174 N216 Y427 M450 E453	L170-P214 HydrophobicContact CB-CB 3.99Å; L170-P214 WeakPolarHBondContact CB-O 3.29Å; L170-P214 PolarHBondContact N-O 2.84Å; L171-P214 HydrophobicContact CB-CB 4.1Å; L171-P214 PolarHBondContact N-O 3.17Å; I174-P214 HydrophobicContact CD1-CB 3.82Å; I174-P214 HydrophobicContact CD1-CG 3.72Å; P214-N216 VanDerWaalsContact C-N 3.3Å; P214-N216 PolarHBondContact O-N 3.34Å; P214-Y427 WeakPolarHBondContact CD-OH 3.49Å; P214-M450 HydrophobicContact CG-CG 3.97Å; P214-M450 HydrophobicContact CG-SD 4.49Å; P214-E453 WeakPolarHBondContact CG-OE2 3.31Å
215	E	95.1	Very high	96	Very high	30 Å²	30	22.5 Å²	22.5	14%	0.14	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-68.5	-29	177.6	-54.8	97.4	102.8	0	0	113	Q169 L171 K213	Q169-E215 WeakPolarHBondContact CB-O 3.46Å; L171-E215 HydrophobicContact CB-CG 4.05Å; L171-E215 HydrophobicContact CD2-CG 3.57Å; L171-E215 HydrophobicContact CG-CG 4.43Å; K213-E215 WeakPolarHBondContact CD-OE1 3.34Å; K213-E215 WeakPolarHBondContact CD-OE2 3.19Å; K213-E215 WeakPolarHBondContact CE-OE1 3.28Å; K213-E215 HydrophobicContact CG-CB 4.45Å; K213-E215 WeakPolarHBondContact CG-OE2 3.37Å; K213-E215 IonicContact NZ-OE1 3.16Å; K213-E215 PolarHBondContact NZ-OE1 3.29Å; K213-E215 PolarHBondContact O-N 3.03Å; K213-E215 VanDerWaalsContact O-N 3.1Å
216	N	97.6	Very high	95.5	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-96.7	3.3	-175.6	-68.8	-18	0	0	0	112.7	D211 K213 P214 T358 A406	D211-N216 PolarHBondContact O-ND2 3.28Å; D211-N216 PolarHBondContact OD2-ND2 3.4Å; D211-N216 VanDerWaalsContact OD2-ND2 3.11Å; K213-N216 HydrophobicContact CG-CB 4.36Å; K213-N216 PolarHBondContact O-N 2.61Å; P214-N216 VanDerWaalsContact C-N 3.3Å; P214-N216 PolarHBondContact O-N 3.34Å; N216-T358 VanDerWaalsContact OD1-CG2 3.29Å; N216-T358 WeakPolarHBondContact OD1-CG2 3.34Å; N216-A406 PolarHBondContact O-N 2.94Å
217	I	98.4	Very high	95.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.8	173.3	-51.2	-54.1	0	0	0	109.2	Q169 L170 V194 I403 I405 M450	Q169-I217 CarbonylContact C-O 3.55Å; Q169-I217 VanDerWaalsContact CA-O 3.28Å; Q169-I217 WeakPolarHBondContact CA-O 3.46Å; L170-I217 HydrophobicContact CD1-CB 3.7Å; L170-I217 HydrophobicContact CD1-CG1 4.39Å; L170-I217 HydrophobicContact CD1-CG2 3.55Å; L170-I217 HydrophobicContact CG-CB 3.98Å; L170-I217 HydrophobicContact CG-CG2 3.97Å; L170-I217 PolarHBondContact N-O 2.89Å; V194-I217 HydrophobicContact CG2-CD1 3.92Å; V194-I217 HydrophobicContact CG2-CG1 4.2Å; V194-I217 HydrophobicContact CG2-CG2 4.18Å; I217-I403 HydrophobicContact CG2-CB 3.85Å; I217-I403 HydrophobicContact CG2-CD1 4.05Å; I217-I403 HydrophobicContact CG2-CG1 4.09Å; I217-I403 HydrophobicContact CG2-CG2 4.18Å; I217-I405 HydrophobicContact CD1-CB 4.39Å; I217-I405 HydrophobicContact CD1-CG1 3.95Å; I217-I405 HydrophobicContact CD1-CG2 4.44Å; I217-M450 HydrophobicContact CG1-CE 4.11Å; I217-M450 HydrophobicContact CG1-SD 3.74Å
218	L	97.4	Very high	94.5	Very high	36 Å²	36	21.2 Å²	21.2	19%	0.188	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	-175.6	-62.7	172.8	0	0	0	111	L166 Q169 I403 K404 A406	L166-L218 HydrophobicContact CB-CB 3.94Å; L166-L218 HydrophobicContact CB-CD1 3.97Å; L166-L218 HydrophobicContact CD1-CB 3.99Å; L166-L218 HydrophobicContact CD1-CD1 3.69Å; L166-L218 HydrophobicContact CD1-CG 4.48Å; L166-L218 HydrophobicContact CG-CD1 4.47Å; Q169-L218 HydrophobicContact CB-CD2 3.75Å; L218-I403 CarbonylContact O-C 3.6Å; L218-I403 WeakPolarHBondContact O-CA 3.39Å; L218-K404 PolarHBondContact N-O 3Å; L218-K404 PolarHBondContact O-N 2.76Å; L218-A406 HydrophobicContact CD1-CB 3.48Å; L218-A406 VanDerWaalsContact CD1-CB 3.48Å; L218-A406 HydrophobicContact CG-CB 3.98Å
219	L	96.7	Very high	93.8	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.047	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.5	170.6	-74.6	157.9	0	0	0	111.1	G167 H168 L170 W173 P392 I401 K402 I403	G167-L219 VanDerWaalsContact CA-O 3.27Å; G167-L219 WeakPolarHBondContact CA-O 3.41Å; G167-L219 PolarHBondContact N-O 3.04Å; H168-L219 PolarHBondContact O-N 3.15Å; L170-L219 HydrophobicContact CD2-CD1 4.49Å; L170-L219 HydrophobicContact CD2-CG 4.3Å; W173-L219 HydrophobicContact CG-CD1 4.48Å; W173-L219 HydrophobicContact CZ2-CD1 4.35Å; L219-P392 HydrophobicContact CD1-CG 4.29Å; L219-I401 HydrophobicContact CD2-CG2 3.75Å; L219-K402 CarbonylContact C-O 3.53Å; L219-K402 WeakPolarHBondContact CA-O 3.15Å; L219-I403 HydrophobicContact CD2-CG2 3.79Å; L219-I403 HydrophobicContact CG-CG2 4.37Å
220	C	96.1	Very high	93.2	Very high	41 Å²	41	21.6 Å²	21.6	28%	0.277	13%	0.129	S	C	.	.			trans	-71.8	147.9	167.9	-57.7	0	0	0	0	110.2	K402	C220-K402 HydrophobicContact CB-CB 3.79Å; C220-K402 PolarHBondContact N-O 3.03Å
221	V	93.1	Very high	92.6	Very high	25 Å²	25	23.5 Å²	23.5	15%	0.152	15%	0.145	C	C	.	.			trans	-125.3	145.3	175.8	-68.8	0	0	0	0	110	V165 G167 Y225 I226 L389	V165-V221 HydrophobicContact CG1-CG2 4.5Å; G167-V221 VanDerWaalsContact CA-CG1 3.46Å; V221-Y225 HydrophobicContact CB-CD1 3.66Å; V221-Y225 HydrophobicContact CB-CE1 4.32Å; V221-Y225 HydrophobicContact CB-CG 4.38Å; V221-Y225 HydrophobicContact CG1-CD1 3.8Å; V221-Y225 HydrophobicContact CG1-CE1 4.02Å; V221-Y225 HydrophobicContact CG2-CD1 3.95Å; V221-Y225 HydrophobicContact CG2-CE1 4.46Å; V221-I226 HydrophobicContact CG2-CD1 4.04Å; V221-I226 HydrophobicContact CG2-CG1 3.81Å; V221-L389 HydrophobicContact CB-CD2 4.45Å; V221-L389 HydrophobicContact CG1-CD2 3.44Å; V221-L389 VanDerWaalsContact CG1-CD2 3.44Å
222	G	89.6	Confident	91.8	Very high	45 Å²	45	25.8 Å²	25.8	46%	0.464	16%	0.155	S	C	.	.			trans	-76.3	158.2	177.7	0	0	0	0	0	112.5	A224 Y225 I226	G222-A224 PolarHBondContact O-N 3.31Å; G222-Y225 WeakPolarHBondContact O-CB 3.06Å; G222-Y225 PolarHBondContact O-N 2.8Å; G222-I226 PolarHBondContact O-N 3.07Å
223	D	88.3	Confident	91	Very high	107 Å²	107	26 Å²	26	57%	0.572	16%	0.158	S	C	*	.	H	α-helix	trans	-57.5	-33.7	179	-74.9	-22	0	0	0	112.8	Y225 I226 R227	D223-Y225 VanDerWaalsContact C-N 3.34Å; D223-Y225 PolarHBondContact O-N 3.45Å; D223-I226 PolarHBondContact O-N 3.21Å; D223-R227 WeakPolarHBondContact O-CB 3.39Å; D223-R227 WeakPolarHBondContact O-CG 3.44Å; D223-R227 PolarHBondContact O-N 3.3Å
224	A	87.9	Confident	90.1	Very high	40 Å²	40	26.1 Å²	26.1	33%	0.331	16%	0.158	S	C	.	.	H	α-helix	trans	-58.4	-43.6	175.5	0	0	0	0	0	112.6	G222 H228 L388	G222-A224 PolarHBondContact O-N 3.31Å; A224-H228 PolarHBondContact O-N 2.88Å; A224-L388 HydrophobicContact CB-CD1 4.49Å
225	Y	88.9	Confident	89.2	Confident	12 Å²	12	32 Å²	32	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-44.8	176.3	174.3	-101.7	0	0	0	111.2	V221 G222 D223 R227 H228 L229 A385 L388 L389	V221-Y225 HydrophobicContact CB-CD1 3.66Å; V221-Y225 HydrophobicContact CB-CE1 4.32Å; V221-Y225 HydrophobicContact CB-CG 4.38Å; V221-Y225 HydrophobicContact CG1-CD1 3.8Å; V221-Y225 HydrophobicContact CG1-CE1 4.02Å; V221-Y225 HydrophobicContact CG2-CD1 3.95Å; V221-Y225 HydrophobicContact CG2-CE1 4.46Å; G222-Y225 WeakPolarHBondContact O-CB 3.06Å; G222-Y225 PolarHBondContact O-N 2.8Å; D223-Y225 VanDerWaalsContact C-N 3.34Å; D223-Y225 PolarHBondContact O-N 3.45Å; Y225-R227 PolarHBondContact O-N 2.76Å; Y225-H228 WeakPolarHBondContact O-CB 3.46Å; Y225-H228 PolarHBondContact O-N 3.04Å; Y225-L229 HydrophobicContact CD1-CD1 3.97Å; Y225-L229 HydrophobicContact CD1-CG 4.39Å; Y225-L229 HydrophobicContact CE1-CD1 3.35Å; Y225-L229 HydrophobicContact CE1-CG 3.96Å; Y225-L229 HydrophobicContact CE2-CD2 4.42Å; Y225-L229 HydrophobicContact CE2-CG 4.38Å; Y225-L229 PolarHBondContact O-N 3.46Å; Y225-A385 HydrophobicContact CD2-CB 4.31Å; Y225-A385 WeakPolarHBondContact CD2-O 3.39Å; Y225-A385 HydrophobicContact CE2-CB 3.96Å; Y225-L388 HydrophobicContact CD2-CB 4.27Å; Y225-L389 HydrophobicContact CD1-CD2 3.9Å; Y225-L389 HydrophobicContact CD2-CD1 4.47Å; Y225-L389 HydrophobicContact CD2-CD2 3.72Å; Y225-L389 HydrophobicContact CD2-CG 3.76Å; Y225-L389 HydrophobicContact CE1-CD2 3.79Å; Y225-L389 HydrophobicContact CE2-CD1 3.75Å; Y225-L389 HydrophobicContact CE2-CD2 3.64Å; Y225-L389 HydrophobicContact CE2-CG 3.53Å; Y225-L389 HydrophobicContact CG-CD2 3.85Å; Y225-L389 HydrophobicContact CG-CG 4.39Å
226	I	89.9	Confident	88.1	Confident	7 Å²	7	33 Å²	33	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-41.6	-179.8	-55.8	166.6	0	0	0	111	L94 F103 V165 V221 G222 D223 H228 L229 A230	L94-I226 HydrophobicContact CD1-CG2 4.04Å; F103-I226 HydrophobicContact CB-CG2 3.56Å; F103-I226 HydrophobicContact CD1-CG2 4.23Å; F103-I226 HydrophobicContact CD2-CB 4.44Å; F103-I226 HydrophobicContact CD2-CG2 3.56Å; F103-I226 HydrophobicContact CE2-CG2 4.3Å; F103-I226 HydrophobicContact CG-CG2 3.51Å; V165-I226 HydrophobicContact CB-CD1 3.85Å; V165-I226 HydrophobicContact CB-CG1 4.48Å; V165-I226 HydrophobicContact CG1-CD1 3.91Å; V165-I226 HydrophobicContact CG1-CG1 3.99Å; V165-I226 HydrophobicContact CG1-CG2 4.38Å; V221-I226 HydrophobicContact CG2-CD1 4.04Å; V221-I226 HydrophobicContact CG2-CG1 3.81Å; G222-I226 PolarHBondContact O-N 3.07Å; D223-I226 PolarHBondContact O-N 3.21Å; I226-H228 VanDerWaalsContact C-N 3.34Å; I226-L229 PolarHBondContact O-N 2.91Å; I226-A230 PolarHBondContact O-N 3.25Å
227	R	88.3	Confident	86.9	Confident	31 Å²	31	36 Å²	36	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-43.1	175.1	-76.4	-169.4	-62.3	-113.7	-1	111.5	F103 D223 Y225 A230 A231 L287 E294	F103-R227 HydrophobicContact CE2-CG 4.09Å; D223-R227 WeakPolarHBondContact O-CB 3.39Å; D223-R227 WeakPolarHBondContact O-CG 3.44Å; D223-R227 PolarHBondContact O-N 3.3Å; Y225-R227 PolarHBondContact O-N 2.76Å; R227-A230 PolarHBondContact O-N 3.25Å; R227-A231 WeakPolarHBondContact O-CB 3.41Å; R227-A231 PolarHBondContact O-N 3.33Å; R227-L287 HydrophobicContact CG-CD2 4.08Å; R227-E294 IonicContact CZ-OE2 3.9Å; R227-E294 IonicContact NH1-OE2 2.72Å; R227-E294 PolarHBondContact NH1-OE2 3.11Å; R227-E294 VanDerWaalsContact NH2-CD 3.34Å; R227-E294 IonicContact NH2-OE1 3.38Å; R227-E294 PolarHBondContact NH2-OE1 2.81Å; R227-E294 IonicContact NH2-OE2 3.1Å; R227-E294 PolarHBondContact NH2-OE2 3.4Å
228	H	86.5	Confident	85.7	Confident	48 Å²	48	42 Å²	42	22%	0.222	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-48.1	175.4	-173.5	92.5	0	0	0	111.5	A224 Y225 I226 A230 A231 E232 F383 A385 L388	A224-H228 PolarHBondContact O-N 2.88Å; Y225-H228 WeakPolarHBondContact O-CB 3.46Å; Y225-H228 PolarHBondContact O-N 3.04Å; I226-H228 VanDerWaalsContact C-N 3.34Å; H228-A230 PolarHBondContact O-N 2.84Å; H228-A231 WeakPolarHBondContact O-CB 3.33Å; H228-A231 PolarHBondContact O-N 3.33Å; H228-A231 VanDerWaalsContact O-N 3.08Å; H228-E232 IonicContact CD2-OE2 2.7Å; H228-E232 IonicContact NE2-OE1 3.03Å; H228-E232 WeakPolarHBondContact O-CG 3.42Å; H228-E232 PolarHBondContact O-N 2.91Å; H228-F383 PolarHBondContact CE1-O 2.78Å; H228-A385 WeakPolarHBondContact CD2-CB 3.45Å; H228-L388 HydrophobicContact CB-CD1 4.26Å
229	L	85.2	Confident	84.3	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-35.1	175.6	-71.3	179.5	0	0	0	113.2	Y225 I226 A233 I363	Y225-L229 HydrophobicContact CD1-CD1 3.97Å; Y225-L229 HydrophobicContact CD1-CG 4.39Å; Y225-L229 HydrophobicContact CE1-CD1 3.35Å; Y225-L229 HydrophobicContact CE1-CG 3.96Å; Y225-L229 HydrophobicContact CE2-CD2 4.42Å; Y225-L229 HydrophobicContact CE2-CG 4.38Å; Y225-L229 PolarHBondContact O-N 3.46Å; I226-L229 PolarHBondContact O-N 2.91Å; L229-A233 WeakPolarHBondContact O-CB 3.37Å; L229-A233 PolarHBondContact O-N 2.81Å; L229-I363 HydrophobicContact CD2-CD1 4.25Å
230	A	86.4	Confident	82.7	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-77.7	-34.3	177.9	0	0	0	0	0	112.9	V81 L94 F103 I226 R227 H228 T234	V81-A230 HydrophobicContact CG1-CB 4.07Å; L94-A230 HydrophobicContact CD2-CB 4.44Å; F103-A230 HydrophobicContact CE1-CB 3.45Å; F103-A230 VanDerWaalsContact CE1-CB 3.45Å; F103-A230 HydrophobicContact CE2-CB 4.22Å; F103-A230 HydrophobicContact CZ-CB 3.26Å; I226-A230 PolarHBondContact O-N 3.25Å; R227-A230 PolarHBondContact O-N 3.25Å; H228-A230 PolarHBondContact O-N 2.84Å; A230-T234 WeakPolarHBondContact O-CB 3.34Å; A230-T234 PolarHBondContact O-N 2.86Å; A230-T234 PolarHBondContact O-OG1 2.9Å
231	A	85	Confident	80.8	Confident	41 Å²	41	47.5 Å²	47.5	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-50.8	174.9	0	0	0	0	0	110.5	R227 H228 A233 T234 E235	R227-A231 WeakPolarHBondContact O-CB 3.41Å; R227-A231 PolarHBondContact O-N 3.33Å; H228-A231 WeakPolarHBondContact O-CB 3.33Å; H228-A231 PolarHBondContact O-N 3.33Å; H228-A231 VanDerWaalsContact O-N 3.08Å; A231-A233 VanDerWaalsContact C-N 3.31Å; A231-A233 PolarHBondContact O-N 2.85Å; A231-T234 WeakPolarHBondContact O-CA 3.4Å; A231-T234 VanDerWaalsContact O-CB 3.28Å; A231-T234 WeakPolarHBondContact O-CB 3.33Å; A231-T234 PolarHBondContact O-N 3.47Å; A231-E235 PolarHBondContact O-N 3.02Å
232	E	82.6	Confident	78.9	Confident	53 Å²	53	53.8 Å²	53.8	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-53.5	-48.2	174.7	-70.9	-173.5	123	0	0	111.6	H228 T234 E235 W236	H228-E232 IonicContact CD2-OE2 2.7Å; H228-E232 IonicContact NE2-OE1 3.03Å; H228-E232 WeakPolarHBondContact O-CG 3.42Å; H228-E232 PolarHBondContact O-N 2.91Å; E232-T234 VanDerWaalsContact C-N 3.26Å; E232-T234 PolarHBondContact O-N 3.03Å; E232-E235 PolarHBondContact O-N 3.2Å; E232-W236 HydrophobicContact CB-CH2 3.81Å; E232-W236 HydrophobicContact CB-CZ2 3.72Å; E232-W236 HydrophobicContact CB-CZ3 4.42Å; E232-W236 HydrophobicContact CG-CZ2 4.42Å; E232-W236 PolarHBondContact O-N 2.98Å; E232-W236 VanDerWaalsContact O-N 3.16Å
233	A	81	Confident	77.3	Confident	6 Å²	6	52.8 Å²	52.8	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-35.6	177	0	0	0	0	0	112.5	V81 R82 L229 A231 Q237	V81-A233 HydrophobicContact CG1-CB 3.99Å; R82-A233 HydrophobicContact CB-CB 4.09Å; R82-A233 HydrophobicContact CG-CB 4.49Å; L229-A233 WeakPolarHBondContact O-CB 3.37Å; L229-A233 PolarHBondContact O-N 2.81Å; A231-A233 VanDerWaalsContact C-N 3.31Å; A231-A233 PolarHBondContact O-N 2.85Å; A233-Q237 VanDerWaalsContact O-CG 3.26Å; A233-Q237 WeakPolarHBondContact O-CG 3.41Å; A233-Q237 PolarHBondContact O-N 3.48Å; A233-Q237 VanDerWaalsContact O-N 3.13Å
234	T	80.3	Confident	75.5	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-41.9	177.7	-56.2	0	0	0	0	111.8	A230 A231 E232 W236 Q237 Q238 L280 R283 L284	A230-T234 WeakPolarHBondContact O-CB 3.34Å; A230-T234 PolarHBondContact O-N 2.86Å; A230-T234 PolarHBondContact O-OG1 2.9Å; A231-T234 WeakPolarHBondContact O-CA 3.4Å; A231-T234 VanDerWaalsContact O-CB 3.28Å; A231-T234 WeakPolarHBondContact O-CB 3.33Å; A231-T234 PolarHBondContact O-N 3.47Å; E232-T234 VanDerWaalsContact C-N 3.26Å; E232-T234 PolarHBondContact O-N 3.03Å; T234-W236 VanDerWaalsContact C-N 3.34Å; T234-W236 PolarHBondContact O-N 3.2Å; T234-Q237 WeakPolarHBondContact O-CB 3.34Å; T234-Q237 PolarHBondContact O-N 2.79Å; T234-Q238 HydrophobicContact CG2-CG 4.44Å; T234-Q238 WeakPolarHBondContact O-CG 3.33Å; T234-Q238 PolarHBondContact O-N 3.13Å; T234-L280 HydrophobicContact CG2-CD1 3.83Å; T234-R283 PolarHBondContact OG1-NH2 3.19Å; T234-L284 HydrophobicContact CG2-CD1 4.17Å; T234-L284 HydrophobicContact CG2-CD2 4.07Å; T234-L284 HydrophobicContact CG2-CG 4.39Å
235	E	78.5	Confident	73.9	Confident	122 Å²	122	51.6 Å²	51.6	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-62.2	-41.5	178.1	-70.2	175.7	-176.6	0	0	111.5	A231 E232 Q238 S239	A231-E235 PolarHBondContact O-N 3.02Å; E232-E235 PolarHBondContact O-N 3.2Å; E235-Q238 PolarHBondContact O-N 3.32Å; E235-S239 WeakPolarHBondContact O-CB 3.27Å; E235-S239 PolarHBondContact O-N 3.4Å; E235-S239 PolarHBondContact O-OG 3.13Å
236	W	72.9	Confident	72.3	Confident	51 Å²	51	59.5 Å²	59.5	19%	0.193	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-40.1	174.8	-55.2	-30.4	0	0	0	112.1	E232 T234 Q238 S239 G240 P243 P244	E232-W236 HydrophobicContact CB-CH2 3.81Å; E232-W236 HydrophobicContact CB-CZ2 3.72Å; E232-W236 HydrophobicContact CB-CZ3 4.42Å; E232-W236 HydrophobicContact CG-CZ2 4.42Å; E232-W236 PolarHBondContact O-N 2.98Å; E232-W236 VanDerWaalsContact O-N 3.16Å; T234-W236 VanDerWaalsContact C-N 3.34Å; T234-W236 PolarHBondContact O-N 3.2Å; W236-Q238 VanDerWaalsContact C-N 3.3Å; W236-Q238 PolarHBondContact O-N 3.36Å; W236-S239 PolarHBondContact O-OG 2.86Å; W236-G240 PolarHBondContact O-N 2.94Å; W236-G240 VanDerWaalsContact O-N 3.1Å; W236-P243 HydrophobicContact CD2-CB 3.99Å; W236-P243 HydrophobicContact CE3-CB 3.56Å; W236-P243 HydrophobicContact CE3-CG 4.45Å; W236-P243 HydrophobicContact CZ3-CB 3.87Å; W236-P244 HydrophobicContact CH2-CG 3.52Å; W236-P244 HydrophobicContact CZ2-CG 3.27Å; W236-P244 HydrophobicContact CZ3-CG 4.42Å
237	Q	71.6	Confident	70.7	Confident	69 Å²	69	60 Å²	60	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-36.1	175.3	-72.6	179.8	-63.8	0	0	112.9	I70 A233 T234	I70-Q237 HydrophobicContact CG2-CG 4.09Å; A233-Q237 VanDerWaalsContact O-CG 3.26Å; A233-Q237 WeakPolarHBondContact O-CG 3.41Å; A233-Q237 PolarHBondContact O-N 3.48Å; A233-Q237 VanDerWaalsContact O-N 3.13Å; T234-Q237 WeakPolarHBondContact O-CB 3.34Å; T234-Q237 PolarHBondContact O-N 2.79Å
238	Q	72.8	Confident	69.2	Low	125 Å²	125	59 Å²	59	58%	0.584	33%	0.326	S	S	*	.	H	α-helix	trans	-81.4	-41.5	-177.5	-71.4	-178.4	6.7	0	0	112.9	T234 E235 W236 G240 L280	T234-Q238 HydrophobicContact CG2-CG 4.44Å; T234-Q238 WeakPolarHBondContact O-CG 3.33Å; T234-Q238 PolarHBondContact O-N 3.13Å; E235-Q238 PolarHBondContact O-N 3.32Å; W236-Q238 VanDerWaalsContact C-N 3.3Å; W236-Q238 PolarHBondContact O-N 3.36Å; Q238-G240 VanDerWaalsContact C-N 3.28Å; Q238-G240 PolarHBondContact O-N 3.34Å; Q238-L280 HydrophobicContact CG-CD2 4.4Å
239	S	69.7	Low	68.2	Low	80 Å²	80	58.9 Å²	58.9	56%	0.559	33%	0.329	S	S	*	.	H	α-helix	trans	-73.2	-20.5	179	56.9	0	0	0	0	113	E235 W236 A241	E235-S239 WeakPolarHBondContact O-CB 3.27Å; E235-S239 PolarHBondContact O-N 3.4Å; E235-S239 PolarHBondContact O-OG 3.13Å; W236-S239 PolarHBondContact O-OG 2.86Å; S239-A241 PolarHBondContact O-N 3.11Å; S239-A241 WeakPolarHBondContact OG-CB 3.44Å; S239-A241 PolarHBondContact OG-N 3.14Å
240	G	62.2	Low	67.3	Low	70 Å²	70	60.1 Å²	60.1	72%	0.722	34%	0.338	S	S	*	.			trans	68.9	9.5	-170.8	0	0	0	0	0	113	W236 Q238	W236-G240 PolarHBondContact O-N 2.94Å; W236-G240 VanDerWaalsContact O-N 3.1Å; Q238-G240 VanDerWaalsContact C-N 3.28Å; Q238-G240 PolarHBondContact O-N 3.34Å
241	A	56.1	Low	66.1	Low	51 Å²	51	61 Å²	61	42%	0.421	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-71.6	153.1	176	0	0	0	0	0	110.9	S239	S239-A241 PolarHBondContact O-N 3.11Å; S239-A241 WeakPolarHBondContact OG-CB 3.44Å; S239-A241 PolarHBondContact OG-N 3.14Å
242	Q	53.3	Low	64.9	Low	158 Å²	158	59.7 Å²	59.7	74%	0.738	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-70.8	140.2	169.8	-82.2	-176.3	-11.7	0	0	109.7
243	P	56.6	Low	63.8	Low	24 Å²	24	60.7 Å²	60.7	16%	0.156	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-59.1	154.4	171.7	2	1.4	0	0	0	111	W236 S245 T248 V249	W236-P243 HydrophobicContact CD2-CB 3.99Å; W236-P243 HydrophobicContact CE3-CB 3.56Å; W236-P243 HydrophobicContact CE3-CG 4.45Å; W236-P243 HydrophobicContact CZ3-CB 3.87Å; P243-S245 PolarHBondContact O-N 3.16Å; P243-T248 VanDerWaalsContact CB-OG1 3.32Å; P243-T248 WeakPolarHBondContact CB-OG1 3.42Å; P243-V249 HydrophobicContact CB-CG1 4.49Å; P243-V249 HydrophobicContact CG-CB 4.31Å; P243-V249 HydrophobicContact CG-CG1 3.21Å; P243-V249 HydrophobicContact CG-CG2 4.21Å
244	P	49.9	Very low	62.6	Low	103 Å²	103	69 Å²	69	67%	0.669	38%	0.382	S	S	*	.	S	Bend	trans	-61.7	-24.5	178.8	23.9	-32.6	0	0	0	113	W236	W236-P244 HydrophobicContact CH2-CG 3.52Å; W236-P244 HydrophobicContact CZ2-CG 3.27Å; W236-P244 HydrophobicContact CZ3-CG 4.42Å
245	S	53.7	Low	61.4	Low	19 Å²	19	74.8 Å²	74.8	13%	0.133	41%	0.409	C	S	.	.			trans	-128.9	130.7	173.3	176.8	0	0	0	0	111.8	P243 S247 T248	P243-S245 PolarHBondContact O-N 3.16Å; S245-S247 PolarHBondContact O-N 2.6Å; S245-S247 PolarHBondContact OG-N 2.97Å; S245-S247 PolarHBondContact OG-OG 3.26Å; S245-T248 PolarHBondContact O-N 3.21Å; S245-T248 PolarHBondContact O-OG1 3.18Å
246	R	56.3	Low	59.7	Low	178 Å²	178	75 Å²	75	67%	0.672	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-63.7	-24.6	178.7	-69.4	-173.6	177	-171.5	3.7	112.2	Q54 T248 V249	Q54-R246 VanDerWaalsContact NE2-C 3.28Å; Q54-R246 PolarHBondContact NE2-O 3.03Å; R246-T248 PolarHBondContact O-N 2.98Å; R246-V249 WeakPolarHBondContact O-CG2 3.36Å; R246-V249 PolarHBondContact O-N 3.14Å
247	S	56.3	Low	58.4	Low	18 Å²	18	76.5 Å²	76.5	13%	0.126	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-66.5	-17.9	178.4	68.5	0	0	0	0	113.6	S245 V249	S245-S247 PolarHBondContact O-N 2.6Å; S245-S247 PolarHBondContact OG-N 2.97Å; S245-S247 PolarHBondContact OG-OG 3.26Å; S247-V249 VanDerWaalsContact C-N 3.35Å
248	T	56.8	Low	56.7	Low	8 Å²	8	79.4 Å²	79.4	5%	0.049	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-85.8	-6.7	-176	67.8	0	0	0	0	114.2	K83 P243 S245 R246	K83-T248 WeakPolarHBondContact CB-O 3.41Å; K83-T248 PolarHBondContact N-O 3.41Å; P243-T248 VanDerWaalsContact CB-OG1 3.32Å; P243-T248 WeakPolarHBondContact CB-OG1 3.42Å; S245-T248 PolarHBondContact O-N 3.21Å; S245-T248 PolarHBondContact O-OG1 3.18Å; R246-T248 PolarHBondContact O-N 2.98Å
249	V	65.3	Low	56	Low	47 Å²	47	76.5 Å²	76.5	29%	0.285	46%	0.455	S	S	.	.	S	Bend	trans	-112.9	162.1	179.1	-78.2	0	0	0	0	112.1	P243 R246 S247 T251	P243-V249 HydrophobicContact CB-CG1 4.49Å; P243-V249 HydrophobicContact CG-CB 4.31Å; P243-V249 HydrophobicContact CG-CG1 3.21Å; P243-V249 HydrophobicContact CG-CG2 4.21Å; R246-V249 WeakPolarHBondContact O-CG2 3.36Å; R246-V249 PolarHBondContact O-N 3.14Å; S247-V249 VanDerWaalsContact C-N 3.35Å; V249-T251 PolarHBondContact O-N 3.01Å
250	S	65.4	Low	55.6	Low	34 Å²	34	82.7 Å²	82.7	24%	0.238	47%	0.472	C	S	.	.			trans	-67	131.9	172.5	-170.5	0	0	0	0	110.9	V68 A252	V68-S250 WeakPolarHBondContact O-CB 3.42Å; V68-S250 PolarHBondContact O-OG 3.42Å; S250-A252 WeakPolarHBondContact OG-CB 3.43Å; S250-A252 PolarHBondContact OG-N 2.98Å
251	T	61.8	Low	55.8	Low	19 Å²	19	81.5 Å²	81.5	12%	0.117	45%	0.449	C	S	.	.			trans	-97.8	-5.2	176.6	81.9	0	0	0	0	110.7	Q54 E55 V249	Q54-T251 HydrophobicContact CB-CG2 3.85Å; Q54-T251 HydrophobicContact CG-CG2 3.6Å; Q54-T251 VanDerWaalsContact OE1-CB 3.22Å; E55-T251 PolarHBondContact OE1-OG1 2.66Å; E55-T251 PolarHBondContact OE2-OG1 2.93Å; V249-T251 PolarHBondContact O-N 3.01Å
252	A	59.1	Low	57	Low	13 Å²	13	82.4 Å²	82.4	11%	0.107	45%	0.452	C	S	.	.	S	Bend	trans	-50.3	130.4	179.7	0	0	0	0	0	110.3	Y60 P67 S250 Q254	Y60-A252 HydrophobicContact CD1-CB 4.09Å; Y60-A252 HydrophobicContact CE1-CB 3.66Å; Y60-A252 HydrophobicContact CE2-CB 4.47Å; P67-A252 HydrophobicContact CB-CB 3.57Å; S250-A252 WeakPolarHBondContact OG-CB 3.43Å; S250-A252 PolarHBondContact OG-N 2.98Å; A252-Q254 PolarHBondContact O-N 2.96Å
253	P	60.2	Low	58.4	Low	75 Å²	75	83.8 Å²	83.8	49%	0.487	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-49.5	128.1	179.4	-28.2	33.4	0	0	0	111	E255	P253-E255 PolarHBondContact O-N 3.11Å
254	Q	56.2	Low	59.5	Low	181 Å²	181	88.6 Å²	88.6	85%	0.846	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-61.8	130.3	172.2	-69.8	-165.7	2.2	0	0	108	A252 V256	A252-Q254 PolarHBondContact O-N 2.96Å; Q254-V256 PolarHBondContact O-N 3.48Å
255	E	54.1	Low	60.8	Low	126 Å²	126	88 Å²	88	59%	0.589	47%	0.467	S	S	*	.			trans	-52.3	107.6	171.2	-81.9	176.1	-144.2	0	0	108.3	K69 P253 L257	K69-E255 IonicContact NZ-OE1 2.78Å; P253-E255 PolarHBondContact O-N 3.11Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 2.99Å
256	V	42.6	Very low	62.1	Low	126 Å²	126	94.5 Å²	94.5	76%	0.764	49%	0.489	S	S	*	.			trans	-65.6	99	175.2	-174.5	0	0	0	0	106.8	Q254 T258	Q254-V256 PolarHBondContact O-N 3.48Å; V256-T258 VanDerWaalsContact C-N 3.29Å; V256-T258 HydrophobicContact CG1-CG2 3.93Å; V256-T258 PolarHBondContact O-N 2.71Å
257	L	45.8	Very low	63.4	Low	82 Å²	82	91.4 Å²	91.4	43%	0.429	48%	0.48	S	S	.	.			trans	-74.9	84	176.1	-81.7	160.9	0	0	0	108.7	E255 G259 L261 K265	E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 2.99Å; L257-G259 PolarHBondContact O-N 2.83Å; L257-L261 HydrophobicContact CD1-CD1 4.3Å; L257-L261 HydrophobicContact CD1-CD2 4.34Å; L257-L261 HydrophobicContact CD2-CD2 3.77Å; L257-L261 HydrophobicContact CD2-CG 4.2Å; L257-K265 HydrophobicContact CD2-CD 4.38Å
258	T	37.7	Very low	64.7	Low	131 Å²	131	98.3 Å²	98.3	80%	0.804	51%	0.508	S	S	*	.			trans	-74.5	114.6	169.2	50	0	0	0	0	109.4	V256	V256-T258 VanDerWaalsContact C-N 3.29Å; V256-T258 HydrophobicContact CG1-CG2 3.93Å; V256-T258 PolarHBondContact O-N 2.71Å
259	G	57.8	Low	65.5	Low	63 Å²	63	101.5 Å²	101.5	65%	0.649	52%	0.523	S	S	*	.	S	Bend	trans	103.8	168.7	171.4	0	0	0	0	0	117.2	L257 L261	L257-G259 PolarHBondContact O-N 2.83Å; G259-L261 PolarHBondContact O-N 3.47Å; G259-L261 VanDerWaalsContact O-N 3.12Å
260	K	61.3	Low	66.3	Low	210 Å²	210	108.5 Å²	108.5	91%	0.913	55%	0.545	S	S	*	.			trans	-63.3	111.7	178.1	-76.8	-179.8	-179.7	173.4	0	110.1	S262	K260-S262 PolarHBondContact O-N 3.42Å
261	L	66.4	Low	67.3	Low	45 Å²	45	114.9 Å²	114.9	24%	0.236	56%	0.563	C	S	.	*			trans	-49.7	120.1	174.1	-85.2	147.2	0	0	0	112.4	L257 G259 K265 R266 M269	L257-L261 HydrophobicContact CD1-CD1 4.3Å; L257-L261 HydrophobicContact CD1-CD2 4.34Å; L257-L261 HydrophobicContact CD2-CD2 3.77Å; L257-L261 HydrophobicContact CD2-CG 4.2Å; G259-L261 PolarHBondContact O-N 3.47Å; G259-L261 VanDerWaalsContact O-N 3.12Å; L261-K265 HydrophobicContact CD2-CB 4.01Å; L261-K265 HydrophobicContact CD2-CD 3.68Å; L261-K265 HydrophobicContact CD2-CG 3.59Å; L261-R266 HydrophobicContact CB-CG 3.84Å; L261-M269 HydrophobicContact CD1-CE 4Å; L261-M269 HydrophobicContact CD2-CE 3.92Å
262	S	81.2	Confident	68.2	Low	70 Å²	70	118.6 Å²	118.6	49%	0.49	58%	0.578	S	S	.	*			trans	-52.8	145.3	172.2	168.5	0	0	0	0	112	K260 N264 K265 R266	K260-S262 PolarHBondContact O-N 3.42Å; S262-N264 PolarHBondContact O-N 3.24Å; S262-N264 VanDerWaalsContact O-N 3.13Å; S262-N264 PolarHBondContact OG-N 2.93Å; S262-K265 PolarHBondContact O-N 3.45Å; S262-R266 PolarHBondContact O-N 2.7Å
263	K	81.6	Confident	69.1	Low	187 Å²	187	126.7 Å²	126.7	81%	0.813	61%	0.606	S	S	*	*	H	α-helix	trans	-50.3	-38.3	175.8	-71.3	-176.9	178.9	176.4	0	111.8	K267	K263-K267 WeakPolarHBondContact O-CB 3.46Å; K263-K267 PolarHBondContact O-N 3.41Å
264	N	80.8	Confident	70.3	Confident	126 Å²	126	131.1 Å²	131.1	67%	0.674	62%	0.617	S	S	*	*	H	α-helix	trans	-68.3	-41.9	178	-73.1	-10.7	0	0	0	112.4	S262 K267 K268	S262-N264 PolarHBondContact O-N 3.24Å; S262-N264 VanDerWaalsContact O-N 3.13Å; S262-N264 PolarHBondContact OG-N 2.93Å; N264-K267 PolarHBondContact O-N 3.31Å; N264-K268 WeakPolarHBondContact O-CB 3.5Å; N264-K268 PolarHBondContact O-N 3.05Å
265	K	76.9	Confident	71.7	Confident	91 Å²	91	127.7 Å²	127.7	40%	0.396	60%	0.601	S	S	.	*	H	α-helix	trans	-65.6	-41	177.3	-164.5	163.8	176.9	179	0	110.8	L257 L261 S262 K268 M269	L257-K265 HydrophobicContact CD2-CD 4.38Å; L261-K265 HydrophobicContact CD2-CB 4.01Å; L261-K265 HydrophobicContact CD2-CD 3.68Å; L261-K265 HydrophobicContact CD2-CG 3.59Å; S262-K265 PolarHBondContact O-N 3.45Å; K265-K268 PolarHBondContact O-N 3.07Å; K265-M269 WeakPolarHBondContact O-CG 3.49Å; K265-M269 PolarHBondContact O-N 2.92Å
266	R	80.1	Confident	73	Confident	154 Å²	154	124.1 Å²	124.1	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-61.1	-45.8	172.3	-69.7	-175.2	175.6	-175.6	-3.2	112.5	L261 S262 K268 M269 R270	L261-R266 HydrophobicContact CB-CG 3.84Å; S262-R266 PolarHBondContact O-N 2.7Å; R266-K268 PolarHBondContact O-N 3.29Å; R266-M269 PolarHBondContact O-N 3.16Å; R266-R270 PolarHBondContact O-N 3.25Å
267	K	84.6	Confident	74.9	Confident	114 Å²	114	124.5 Å²	124.5	50%	0.496	58%	0.576	S	S	.	*	H	α-helix	trans	-61.9	-41.5	177.4	-170.4	176.8	-178.2	178.3	0	111.7	K263 N264 R270 R271	K263-K267 WeakPolarHBondContact O-CB 3.46Å; K263-K267 PolarHBondContact O-N 3.41Å; N264-K267 PolarHBondContact O-N 3.31Å; K267-R270 PolarHBondContact O-N 3.04Å; K267-R271 WeakPolarHBondContact O-CG 3.25Å; K267-R271 PolarHBondContact O-N 3.34Å
268	K	82.9	Confident	77	Confident	163 Å²	163	128.9 Å²	128.9	71%	0.709	59%	0.587	S	S	*	*	H	α-helix	trans	-63.2	-47.7	175.7	-170.2	178	-178.4	-179.7	0	111.6	N264 K265 R266 R270 R271 K272	N264-K268 WeakPolarHBondContact O-CB 3.5Å; N264-K268 PolarHBondContact O-N 3.05Å; K265-K268 PolarHBondContact O-N 3.07Å; R266-K268 PolarHBondContact O-N 3.29Å; K268-R270 VanDerWaalsContact C-N 3.35Å; K268-R270 PolarHBondContact O-N 3.08Å; K268-R271 PolarHBondContact O-N 3.09Å; K268-K272 PolarHBondContact O-N 3.26Å
269	M	74.6	Confident	79.3	Confident	75 Å²	75	123.7 Å²	123.7	37%	0.369	55%	0.554	S	S	.	*	H	α-helix	trans	-60.7	-41.8	175.9	-72.2	-152.5	-59.3	0	0	112.4	L261 K265 R266 R271 K272 R273	L261-M269 HydrophobicContact CD1-CE 4Å; L261-M269 HydrophobicContact CD2-CE 3.92Å; K265-M269 WeakPolarHBondContact O-CG 3.49Å; K265-M269 PolarHBondContact O-N 2.92Å; R266-M269 PolarHBondContact O-N 3.16Å; M269-R271 PolarHBondContact O-N 2.71Å; M269-K272 PolarHBondContact O-N 3.32Å; M269-R273 PolarHBondContact O-N 3Å
270	R	81.9	Confident	80.5	Confident	194 Å²	194	121.8 Å²	121.8	73%	0.732	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-41.7	176.6	-165.7	177	86	178.2	6.9	112.1	R266 K267 K268 K274	R266-R270 PolarHBondContact O-N 3.25Å; K267-R270 PolarHBondContact O-N 3.04Å; K268-R270 VanDerWaalsContact C-N 3.35Å; K268-R270 PolarHBondContact O-N 3.08Å; R270-K274 PolarHBondContact O-N 3.23Å
271	R	85.1	Confident	81.7	Confident	168 Å²	168	115.6 Å²	115.6	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-62.7	-45.9	174.6	-75.7	178.7	172	-177.7	-4.5	111.5	K267 K268 M269 R273 K274 Q275	K267-R271 WeakPolarHBondContact O-CG 3.25Å; K267-R271 PolarHBondContact O-N 3.34Å; K268-R271 PolarHBondContact O-N 3.09Å; M269-R271 PolarHBondContact O-N 2.71Å; R271-R273 PolarHBondContact O-N 2.9Å; R271-K274 PolarHBondContact O-N 3.2Å; R271-Q275 PolarHBondContact O-N 2.87Å
272	K	80.4	Confident	82.7	Confident	96 Å²	96	116.4 Å²	116.4	42%	0.417	51%	0.506	S	S	.	.	H	α-helix	trans	-59.3	-47.1	176.8	-169.8	176.1	179.8	-179.3	0	111.4	D72 K268 M269 K274 Q275 Q276	D72-K272 IonicContact OD1-NZ 2.81Å; D72-K272 PolarHBondContact OD1-NZ 3Å; K268-K272 PolarHBondContact O-N 3.26Å; M269-K272 PolarHBondContact O-N 3.32Å; K272-K274 PolarHBondContact O-N 3.09Å; K272-Q275 PolarHBondContact O-N 3.37Å; K272-Q276 WeakPolarHBondContact O-CG 3.49Å; K272-Q276 PolarHBondContact O-N 3.38Å
273	R	78.9	Confident	83	Confident	183 Å²	183	113.1 Å²	113.1	69%	0.691	48%	0.483	S	S	*	.	H	α-helix	trans	-60.6	-43.1	175.9	-75.6	-175.6	178.3	-179.3	-1.6	112.9	M269 R271 Q275 Q276 K277	M269-R273 PolarHBondContact O-N 3Å; R271-R273 PolarHBondContact O-N 2.9Å; R273-Q275 VanDerWaalsContact C-N 3.32Å; R273-Q275 PolarHBondContact O-N 2.91Å; R273-Q276 PolarHBondContact O-N 3.17Å; R273-K277 PolarHBondContact O-N 3.35Å
274	K	85.8	Confident	83.2	Confident	169 Å²	169	106.9 Å²	106.9	74%	0.735	46%	0.458	S	S	*	.	H	α-helix	trans	-63.3	-40	177.2	-170.5	177.8	-178.6	-179	0	111.6	R270 R271 K272 R278	R270-K274 PolarHBondContact O-N 3.23Å; R271-K274 PolarHBondContact O-N 3.2Å; K272-K274 PolarHBondContact O-N 3.09Å; K274-R278 PolarHBondContact O-N 3.16Å
275	Q	85.6	Confident	83.5	Confident	109 Å²	109	106.2 Å²	106.2	51%	0.509	45%	0.446	S	S	.	.	H	α-helix	trans	-65.7	-45.5	175.9	-175.8	176	7.3	0	0	111.8	R271 K272 R273 K277 R278 L279	R271-Q275 PolarHBondContact O-N 2.87Å; K272-Q275 PolarHBondContact O-N 3.37Å; R273-Q275 VanDerWaalsContact C-N 3.32Å; R273-Q275 PolarHBondContact O-N 2.91Å; Q275-K277 VanDerWaalsContact C-N 3.33Å; Q275-K277 PolarHBondContact O-N 2.76Å; Q275-R278 PolarHBondContact O-N 3.01Å; Q275-L279 HydrophobicContact CG-CD1 4.21Å; Q275-L279 WeakPolarHBondContact O-CG 3.5Å; Q275-L279 PolarHBondContact O-N 2.67Å
276	Q	81.4	Confident	84.1	Confident	51 Å²	51	102.4 Å²	102.4	24%	0.238	43%	0.43	C	S	.	.	H	α-helix	trans	-58.4	-44.7	175.3	-76	-178.2	-32.1	0	0	111.8	G71 K272 R273 R278 L279 L280	G71-Q276 VanDerWaalsContact C-NE2 3.31Å; G71-Q276 WeakPolarHBondContact O-CG 3.49Å; G71-Q276 PolarHBondContact O-NE2 3.39Å; K272-Q276 WeakPolarHBondContact O-CG 3.49Å; K272-Q276 PolarHBondContact O-N 3.38Å; R273-Q276 PolarHBondContact O-N 3.17Å; Q276-R278 VanDerWaalsContact C-N 3.35Å; Q276-R278 PolarHBondContact O-N 2.89Å; Q276-L279 PolarHBondContact O-N 3.35Å; Q276-L280 WeakPolarHBondContact O-CB 3.3Å; Q276-L280 PolarHBondContact O-N 3.09Å
277	K	82.7	Confident	84.3	Confident	134 Å²	134	95.7 Å²	95.7	58%	0.583	41%	0.405	S	S	*	.	H	α-helix	trans	-59.5	-44.2	175.4	-171.7	175.4	179.7	179	0	111.9	R273 Q275 L280 E281	R273-K277 PolarHBondContact O-N 3.35Å; Q275-K277 VanDerWaalsContact C-N 3.33Å; Q275-K277 PolarHBondContact O-N 2.76Å; K277-L280 PolarHBondContact O-N 3.24Å; K277-E281 WeakPolarHBondContact CE-OE1 3.24Å; K277-E281 WeakPolarHBondContact O-CG 3.18Å; K277-E281 PolarHBondContact O-N 2.67Å
278	R	88.4	Confident	84.4	Confident	174 Å²	174	96.3 Å²	96.3	66%	0.657	41%	0.41	S	S	*	.	H	α-helix	trans	-62	-45.4	177.2	-176.7	-176	175.4	-170.2	0.2	112.2	K274 Q275 Q276 L280 E281 E282	K274-R278 PolarHBondContact O-N 3.16Å; Q275-R278 PolarHBondContact O-N 3.01Å; Q276-R278 VanDerWaalsContact C-N 3.35Å; Q276-R278 PolarHBondContact O-N 2.89Å; R278-L280 VanDerWaalsContact C-N 3.31Å; R278-E281 PolarHBondContact O-N 3.48Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 PolarHBondContact O-N 3.14Å
279	L	87.1	Confident	84.6	Confident	21 Å²	21	96 Å²	96	11%	0.11	40%	0.404	C	S	.	.	H	α-helix	trans	-64.7	-37.3	178.5	-72	169.6	0	0	0	111.8	L73 Q275 Q276 E282 R283	L73-L279 HydrophobicContact CB-CD1 4.48Å; L73-L279 HydrophobicContact CD1-CD1 4.47Å; L73-L279 HydrophobicContact CD2-CD1 4.19Å; Q275-L279 HydrophobicContact CG-CD1 4.21Å; Q275-L279 WeakPolarHBondContact O-CG 3.5Å; Q275-L279 PolarHBondContact O-N 2.67Å; Q276-L279 PolarHBondContact O-N 3.35Å; L279-E282 PolarHBondContact O-N 3.18Å; L279-R283 WeakPolarHBondContact O-CB 3.5Å; L279-R283 PolarHBondContact O-N 3.14Å
280	L	83.7	Confident	85.1	Confident	24 Å²	24	95.1 Å²	95.1	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-48.6	175	-177.2	61.2	0	0	0	111.6	T234 Q238 Q276 K277 R278 E282 R283 L284	T234-L280 HydrophobicContact CG2-CD1 3.83Å; Q238-L280 HydrophobicContact CG-CD2 4.4Å; Q276-L280 WeakPolarHBondContact O-CB 3.3Å; Q276-L280 PolarHBondContact O-N 3.09Å; K277-L280 PolarHBondContact O-N 3.24Å; R278-L280 VanDerWaalsContact C-N 3.31Å; L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 3.1Å; L280-R283 PolarHBondContact O-N 2.83Å; L280-L284 HydrophobicContact CD1-CD1 4.47Å; L280-L284 HydrophobicContact CG-CD1 4.16Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.91Å
281	E	86.2	Confident	85.3	Confident	80 Å²	80	90.5 Å²	90.5	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-37.7	176.4	-72.7	169.5	-171.6	0	0	112.3	K277 R278 R285	K277-E281 WeakPolarHBondContact CE-OE1 3.24Å; K277-E281 WeakPolarHBondContact O-CG 3.18Å; K277-E281 PolarHBondContact O-N 2.67Å; R278-E281 PolarHBondContact O-N 3.48Å; E281-R285 WeakPolarHBondContact O-CG 3.27Å; E281-R285 PolarHBondContact O-N 3.11Å
282	E	87.8	Confident	85.3	Confident	62 Å²	62	85.5 Å²	85.5	29%	0.29	38%	0.382	S	S	.	.	H	α-helix	trans	-66.4	-46.2	175.6	-170.8	176.9	166.5	0	0	111.9	K101 R278 L279 L280 L284 R285 D286	K101-E282 IonicContact NZ-OE1 3.24Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 PolarHBondContact O-N 3.14Å; L279-E282 PolarHBondContact O-N 3.18Å; L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 3.1Å; E282-L284 VanDerWaalsContact C-N 3.34Å; E282-L284 PolarHBondContact O-N 3.36Å; E282-R285 PolarHBondContact O-N 3.22Å; E282-D286 PolarHBondContact O-N 3Å
283	R	87	Confident	85.5	Confident	1 Å²	1	87.2 Å²	87.2	0%	0.004	39%	0.393	C	S	.	.	H	α-helix	trans	-56.3	-47.5	174.4	-179.1	-179.2	75.2	-160	6.9	111.7	W96 T234 L279 L280 R285 D286 L287	W96-R283 HydrophobicContact CB-CG 4.41Å; W96-R283 HydrophobicContact CD2-CG 3.97Å; W96-R283 HydrophobicContact CG-CG 3.87Å; T234-R283 PolarHBondContact OG1-NH2 3.19Å; L279-R283 WeakPolarHBondContact O-CB 3.5Å; L279-R283 PolarHBondContact O-N 3.14Å; L280-R283 PolarHBondContact O-N 2.83Å; R283-R285 VanDerWaalsContact C-N 3.32Å; R283-R285 PolarHBondContact O-N 3.34Å; R283-D286 PolarHBondContact O-N 2.82Å; R283-D286 VanDerWaalsContact O-N 3.16Å; R283-L287 HydrophobicContact CG-CD1 4.1Å; R283-L287 HydrophobicContact CG-CG 4.39Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.1Å
284	L	85.5	Confident	85.7	Confident	55 Å²	55	81.7 Å²	81.7	29%	0.288	38%	0.375	S	S	.	.	H	α-helix	trans	-58.8	-42.5	179.4	-79.1	158.1	0	0	0	112	T234 L280 E282 L287 Q288	T234-L284 HydrophobicContact CG2-CD1 4.17Å; T234-L284 HydrophobicContact CG2-CD2 4.07Å; T234-L284 HydrophobicContact CG2-CG 4.39Å; L280-L284 HydrophobicContact CD1-CD1 4.47Å; L280-L284 HydrophobicContact CG-CD1 4.16Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.91Å; E282-L284 VanDerWaalsContact C-N 3.34Å; E282-L284 PolarHBondContact O-N 3.36Å; L284-L287 PolarHBondContact O-N 3.16Å; L284-Q288 WeakPolarHBondContact O-CG 3.35Å; L284-Q288 PolarHBondContact O-N 3.24Å; L284-Q288 VanDerWaalsContact O-N 3.1Å
285	R	87.4	Confident	85.5	Confident	113 Å²	113	76.4 Å²	76.4	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-40.3	175.1	-74.5	-174.4	-68.1	-99.5	-2.7	112.6	E281 E282 R283 R289	E281-R285 WeakPolarHBondContact O-CG 3.27Å; E281-R285 PolarHBondContact O-N 3.11Å; E282-R285 PolarHBondContact O-N 3.22Å; R283-R285 VanDerWaalsContact C-N 3.32Å; R283-R285 PolarHBondContact O-N 3.34Å; R285-R289 WeakPolarHBondContact O-CG 3.34Å; R285-R289 PolarHBondContact O-N 3.49Å
286	D	88.3	Confident	85.5	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.059	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-40.1	178.4	-68.4	-26.4	0	0	0	111.6	W96 K101 E282 R283 R289 L290	W96-D286 HydrophobicContact CH2-CB 4.37Å; W96-D286 HydrophobicContact CZ2-CB 3.69Å; K101-D286 HydrophobicContact CD-CB 4.45Å; K101-D286 VanDerWaalsContact CD-OD2 3.29Å; K101-D286 WeakPolarHBondContact CD-OD2 3.44Å; K101-D286 VanDerWaalsContact CE-OD2 3.28Å; K101-D286 WeakPolarHBondContact CE-OD2 3.46Å; K101-D286 IonicContact NZ-OD1 2.71Å; K101-D286 IonicContact NZ-OD2 3.63Å; K101-D286 PolarHBondContact NZ-OD2 3.15Å; E282-D286 PolarHBondContact O-N 3Å; R283-D286 PolarHBondContact O-N 2.82Å; R283-D286 VanDerWaalsContact O-N 3.16Å; D286-R289 WeakPolarHBondContact O-CB 3.4Å; D286-R289 PolarHBondContact O-N 2.61Å; D286-R289 IonicContact OD1-NH1 3.31Å; D286-R289 PolarHBondContact OD1-NH1 2.95Å; D286-L290 WeakPolarHBondContact O-CG 3.46Å; D286-L290 PolarHBondContact O-N 3.01Å
287	L	85.7	Confident	85.5	Confident	13 Å²	13	75.6 Å²	75.6	7%	0.068	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-45.4	175.7	-70.3	173.4	0	0	0	112	W96 F103 R227 R283 L284 R289 L290 E291	W96-L287 HydrophobicContact CH2-CD2 4.21Å; W96-L287 HydrophobicContact CZ3-CD2 3.95Å; F103-L287 HydrophobicContact CE2-CD2 3.67Å; F103-L287 HydrophobicContact CZ-CD1 4.37Å; F103-L287 HydrophobicContact CZ-CD2 3.82Å; R227-L287 HydrophobicContact CG-CD2 4.08Å; R283-L287 HydrophobicContact CG-CD1 4.1Å; R283-L287 HydrophobicContact CG-CG 4.39Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.1Å; L284-L287 PolarHBondContact O-N 3.16Å; L287-R289 VanDerWaalsContact C-N 3.26Å; L287-R289 PolarHBondContact O-N 3.1Å; L287-L290 PolarHBondContact O-N 3.32Å; L287-L290 VanDerWaalsContact O-N 3.14Å; L287-E291 WeakPolarHBondContact O-CG 3.25Å; L287-E291 PolarHBondContact O-N 2.7Å
288	Q	86.4	Confident	85.3	Confident	126 Å²	126	75 Å²	75	59%	0.589	37%	0.373	S	S	*	.	H	α-helix	trans	-59	-37.3	175.4	-72.9	173.8	-25.6	0	0	112.5	L284 A292	L284-Q288 WeakPolarHBondContact O-CG 3.35Å; L284-Q288 PolarHBondContact O-N 3.24Å; L284-Q288 VanDerWaalsContact O-N 3.1Å; Q288-A292 WeakPolarHBondContact O-CB 3.27Å; Q288-A292 PolarHBondContact O-N 3.25Å
289	R	87.2	Confident	84.7	Confident	156 Å²	156	69.5 Å²	69.5	59%	0.589	37%	0.365	S	S	*	.	H	α-helix	trans	-67.8	-42.6	175.4	-72.8	174.7	-176.8	155.7	-5.8	112.1	R285 D286 L287 E291 A292 M293	R285-R289 WeakPolarHBondContact O-CG 3.34Å; R285-R289 PolarHBondContact O-N 3.49Å; D286-R289 WeakPolarHBondContact O-CB 3.4Å; D286-R289 PolarHBondContact O-N 2.61Å; D286-R289 IonicContact OD1-NH1 3.31Å; D286-R289 PolarHBondContact OD1-NH1 2.95Å; L287-R289 VanDerWaalsContact C-N 3.26Å; L287-R289 PolarHBondContact O-N 3.1Å; R289-E291 VanDerWaalsContact C-N 3.35Å; R289-A292 PolarHBondContact O-N 3.06Å; R289-M293 WeakPolarHBondContact O-CG 3.31Å; R289-M293 PolarHBondContact O-N 3.09Å
290	L	85.1	Confident	84.1	Confident	57 Å²	57	75.5 Å²	75.5	30%	0.298	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-42.9	177.7	-72.7	171.9	0	0	0	111.3	W96 D286 L287 M293 E294	W96-L290 HydrophobicContact CH2-CD1 3.77Å; W96-L290 HydrophobicContact CZ3-CD1 4.43Å; D286-L290 WeakPolarHBondContact O-CG 3.46Å; D286-L290 PolarHBondContact O-N 3.01Å; L287-L290 PolarHBondContact O-N 3.32Å; L287-L290 VanDerWaalsContact O-N 3.14Å; L290-M293 PolarHBondContact O-N 2.8Å; L290-E294 WeakPolarHBondContact O-CB 3.42Å; L290-E294 PolarHBondContact O-N 3.4Å
291	E	84.8	Confident	83.2	Confident	98 Å²	98	79.4 Å²	79.4	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-42.4	175.3	-72.4	171.4	174.2	0	0	112	L287 R289 E294 A295	L287-E291 WeakPolarHBondContact O-CG 3.25Å; L287-E291 PolarHBondContact O-N 2.7Å; R289-E291 VanDerWaalsContact C-N 3.35Å; E291-E294 PolarHBondContact O-N 3.35Å; E291-A295 WeakPolarHBondContact O-CB 3.48Å; E291-A295 PolarHBondContact O-N 3.49Å
292	A	86.5	Confident	81.8	Confident	63 Å²	63	78.9 Å²	78.9	52%	0.521	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-39.8	176.1	0	0	0	0	0	112.6	Q288 R289 A296	Q288-A292 WeakPolarHBondContact O-CB 3.27Å; Q288-A292 PolarHBondContact O-N 3.25Å; R289-A292 PolarHBondContact O-N 3.06Å; A292-A296 PolarHBondContact O-N 3.33Å; A292-A296 VanDerWaalsContact O-N 3.08Å
293	M	84	Confident	80.1	Confident	132 Å²	132	77.8 Å²	77.8	65%	0.65	42%	0.424	S	S	*	.	H	α-helix	trans	-64.9	-42.7	175.4	-74.6	-179.9	74.7	0	0	111.6	R289 L290 A296 V297	R289-M293 WeakPolarHBondContact O-CG 3.31Å; R289-M293 PolarHBondContact O-N 3.09Å; L290-M293 PolarHBondContact O-N 2.8Å; M293-A296 WeakPolarHBondContact O-CB 3.43Å; M293-A296 PolarHBondContact O-N 3.41Å; M293-V297 WeakPolarHBondContact O-CG2 3.48Å; M293-V297 PolarHBondContact O-N 3.13Å
294	E	83.3	Confident	78.3	Confident	66 Å²	66	81.1 Å²	81.1	31%	0.308	45%	0.447	S	S	.	.	H	α-helix	trans	-66.4	-41	178.6	-170.1	172.7	158.3	0	0	112.2	R227 L290 E291 A296 V297 Q298	R227-E294 IonicContact CZ-OE2 3.9Å; R227-E294 IonicContact NH1-OE2 2.72Å; R227-E294 PolarHBondContact NH1-OE2 3.11Å; R227-E294 VanDerWaalsContact NH2-CD 3.34Å; R227-E294 IonicContact NH2-OE1 3.38Å; R227-E294 PolarHBondContact NH2-OE1 2.81Å; R227-E294 IonicContact NH2-OE2 3.1Å; R227-E294 PolarHBondContact NH2-OE2 3.4Å; L290-E294 WeakPolarHBondContact O-CB 3.42Å; L290-E294 PolarHBondContact O-N 3.4Å; E291-E294 PolarHBondContact O-N 3.35Å; E294-A296 VanDerWaalsContact C-N 3.28Å; E294-A296 PolarHBondContact O-N 2.96Å; E294-V297 PolarHBondContact O-N 2.72Å; E294-Q298 WeakPolarHBondContact O-CG 3.44Å; E294-Q298 PolarHBondContact O-N 2.92Å
295	A	82.5	Confident	76.4	Confident	58 Å²	58	88.7 Å²	88.7	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-37.4	173.6	0	0	0	0	0	112.2	E291 A299	E291-A295 WeakPolarHBondContact O-CB 3.48Å; E291-A295 PolarHBondContact O-N 3.49Å; A295-A299 WeakPolarHBondContact O-CB 3.43Å; A295-A299 PolarHBondContact O-N 3.47Å
296	A	83.9	Confident	74.3	Confident	49 Å²	49	90.7 Å²	90.7	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-45.1	175.6	0	0	0	0	0	111.8	A292 M293 E294 Q298 A299 E300	A292-A296 PolarHBondContact O-N 3.33Å; A292-A296 VanDerWaalsContact O-N 3.08Å; M293-A296 WeakPolarHBondContact O-CB 3.43Å; M293-A296 PolarHBondContact O-N 3.41Å; E294-A296 VanDerWaalsContact C-N 3.28Å; E294-A296 PolarHBondContact O-N 2.96Å; A296-Q298 VanDerWaalsContact C-N 3.34Å; A296-Q298 PolarHBondContact O-N 2.99Å; A296-A299 PolarHBondContact O-N 2.83Å; A296-E300 PolarHBondContact O-N 3.05Å
297	V	82.3	Confident	72	Confident	95 Å²	95	98.7 Å²	98.7	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-41.6	177	173.5	0	0	0	0	111.3	M293 E294 A299 E300 D301	M293-V297 WeakPolarHBondContact O-CG2 3.48Å; M293-V297 PolarHBondContact O-N 3.13Å; E294-V297 PolarHBondContact O-N 2.72Å; V297-A299 VanDerWaalsContact C-N 3.33Å; V297-A299 PolarHBondContact O-N 2.82Å; V297-E300 PolarHBondContact O-N 2.73Å; V297-D301 PolarHBondContact O-N 2.83Å
298	Q	77.6	Confident	69.7	Low	120 Å²	120	109.3 Å²	109.3	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-34.8	176.7	-71	178.6	7.5	0	0	112.6	E294 A296 S302	E294-Q298 WeakPolarHBondContact O-CG 3.44Å; E294-Q298 PolarHBondContact O-N 2.92Å; A296-Q298 VanDerWaalsContact C-N 3.34Å; A296-Q298 PolarHBondContact O-N 2.99Å; Q298-S302 WeakPolarHBondContact O-CB 2.95Å; Q298-S302 PolarHBondContact O-N 3.05Å; Q298-S302 VanDerWaalsContact O-N 3.14Å; Q298-S302 PolarHBondContact O-OG 2.96Å
299	A	76.1	Confident	67.4	Low	60 Å²	60	106.3 Å²	106.3	50%	0.496	57%	0.57	S	S	.	*	H	α-helix	trans	-68.7	-36.4	175	0	0	0	0	0	112.4	A295 A296 V297 S302 G303	A295-A299 WeakPolarHBondContact O-CB 3.43Å; A295-A299 PolarHBondContact O-N 3.47Å; A296-A299 PolarHBondContact O-N 2.83Å; V297-A299 VanDerWaalsContact C-N 3.33Å; V297-A299 PolarHBondContact O-N 2.82Å; A299-S302 WeakPolarHBondContact CA-OG 3.18Å; A299-S302 PolarHBondContact O-OG 3.32Å; A299-S302 VanDerWaalsContact O-OG 3.11Å; A299-G303 PolarHBondContact O-N 3.23Å
300	E	75.4	Confident	65	Low	146 Å²	146	104.9 Å²	104.9	68%	0.682	58%	0.584	S	S	*	*	H	α-helix	trans	-70.5	-41.4	176	-71.8	-178.8	177.7	0	0	112.4	A296 V297 S302 G303 S304	A296-E300 PolarHBondContact O-N 3.05Å; V297-E300 PolarHBondContact O-N 2.73Å; E300-S302 PolarHBondContact O-N 2.76Å; E300-G303 PolarHBondContact O-N 3.19Å; E300-S304 PolarHBondContact O-N 2.96Å
301	D	64.9	Low	62.4	Low	107 Å²	107	106.1 Å²	106.1	57%	0.572	61%	0.61	S	S	*	*	H	α-helix	trans	-66.2	-38.3	178.2	-167.2	35.5	0	0	0	111.7	V297 S304 R305	V297-D301 PolarHBondContact O-N 2.83Å; D301-S304 PolarHBondContact O-N 3.05Å; D301-S304 PolarHBondContact O-OG 3.27Å; D301-R305 PolarHBondContact O-N 3.08Å
302	S	56.8	Low	59.8	Low	69 Å²	69	106.7 Å²	106.7	48%	0.483	63%	0.625	S	S	.	*	H	α-helix	trans	-72.4	-31	174.5	49.7	0	0	0	0	113.7	Q298 A299 E300	Q298-S302 WeakPolarHBondContact O-CB 2.95Å; Q298-S302 PolarHBondContact O-N 3.05Å; Q298-S302 VanDerWaalsContact O-N 3.14Å; Q298-S302 PolarHBondContact O-OG 2.96Å; A299-S302 WeakPolarHBondContact CA-OG 3.18Å; A299-S302 PolarHBondContact O-OG 3.32Å; A299-S302 VanDerWaalsContact O-OG 3.11Å; E300-S302 PolarHBondContact O-N 2.76Å
303	G	51.9	Low	57.1	Low	38 Å²	38	110.2 Å²	110.2	39%	0.392	64%	0.64	S	S	.	*	H	α-helix	trans	-67	-36.4	170.7	0	0	0	0	0	113.2	A299 E300 R305 L306	A299-G303 PolarHBondContact O-N 3.23Å; E300-G303 PolarHBondContact O-N 3.19Å; G303-R305 VanDerWaalsContact C-N 3.32Å; G303-R305 PolarHBondContact O-N 2.88Å; G303-L306 PolarHBondContact O-N 3.39Å
304	S	50	Low	54.5	Low	71 Å²	71	108.8 Å²	108.8	50%	0.497	64%	0.643	S	S	.	*	H	α-helix	trans	-70.3	-24.4	179	81.4	0	0	0	0	114	E300 D301	E300-S304 PolarHBondContact O-N 2.96Å; D301-S304 PolarHBondContact O-N 3.05Å; D301-S304 PolarHBondContact O-OG 3.27Å
305	R	45	Very low	51.8	Low	215 Å²	215	110.6 Å²	110.6	81%	0.811	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-18.8	176.5	-104.3	179.4	177.2	-177.4	0.6	114.2	D301 G303	D301-R305 PolarHBondContact O-N 3.08Å; G303-R305 VanDerWaalsContact C-N 3.32Å; G303-R305 PolarHBondContact O-N 2.88Å
306	L	43.1	Very low	49.3	Very low	154 Å²	154	113.7 Å²	113.7	81%	0.806	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-15.8	179.6	-75.6	162.1	0	0	0	113.5	G303	G303-L306 PolarHBondContact O-N 3.39Å
307	E	39.3	Very low	46.5	Very low	179 Å²	179	114.7 Å²	114.7	84%	0.836	70%	0.697	S	S	*	*	S	Bend	trans	-92.9	-4.5	-179.6	-78.4	-112.2	142.7	0	0	114.5
308	R	38.7	Very low	43.8	Very low	237 Å²	237	116.7 Å²	116.7	89%	0.894	71%	0.713	S	S	*	*	S	Bend	trans	-98.9	17	-178.1	-138.2	172.7	-154.4	-107.7	0.8	115.6
309	G	36.8	Very low	41.4	Very low	63 Å²	63	119.5 Å²	119.5	65%	0.649	73%	0.726	S	S	*	*	S	Bend	trans	-114.3	55.5	179.5	0	0	0	0	0	113.5
310	S	38	Very low	39.5	Very low	126 Å²	126	122.6 Å²	122.6	88%	0.881	74%	0.741	S	S	*	*			trans	-173.6	116.2	161.8	-79.2	0	0	0	0	111
311	G	29	Very low	37.2	Very low	83 Å²	83	124.9 Å²	124.9	86%	0.856	75%	0.752	S	S	*	*			trans	145.8	82.8	165.9	0	0	0	0	0	114.5
312	S	31.1	Very low	35.4	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	76%	0.763	S	S	*	*			trans	-82.5	138.1	159.1	44.4	0	0	0	0	109.9
313	T	30.2	Very low	34	Very low	136 Å²	136	126.4 Å²	126.4	83%	0.834	78%	0.778	S	S	*	*			trans	177.4	119.2	132.5	30.1	0	0	0	0	112.4
314	S	28.1	Very low	32.9	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	80%	0.801	S	S	*	*			trans	24.4	129.1	141.6	57.1	0	0	0	0	124.7
315	S	28	Very low	31.9	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	82%	0.817	S	S	*	*				67.5	121.4	128.6	70.5	0	0	0	0	121.6
316	S	29.1	Very low	31	Very low	123 Å²	123	130.5 Å²	130.5	86%	0.86	82%	0.815	S	S	*	*				162.6	137.5	105.9	46.9	0	0	0	0	110.4
317	G	24.7	Very low	30.9	Very low	71 Å²	71	129.3 Å²	129.3	73%	0.732	82%	0.817	S	S	*	*			trans	-96.5	170.6	-172.8	0	0	0	0	0	115
318	C	26.3	Very low	30.5	Very low	136 Å²	136	126 Å²	126	92%	0.919	81%	0.814	S	S	*	*			trans	-174.6	133.1	145.8	26.3	0	0	0	0	111.2
319	H	27.8	Very low	30.4	Very low	179 Å²	179	121 Å²	121	83%	0.829	81%	0.812	S	S	*	*			trans	-71.2	167	159.8	-79.2	-83.9	0	0	0	110.3
320	P	35.5	Very low	30	Very low	126 Å²	126	122.4 Å²	122.4	82%	0.818	82%	0.817	S	S	*	*				-141.9	161	94.3	28.5	-8.6	0	0	0	116
321	E	26.2	Very low	29.4	Very low	193 Å²	193	121.6 Å²	121.6	90%	0.902	81%	0.812	S	S	*	*			trans	-64.5	164.3	171.3	-65.9	171.1	119.5	0	0	114.4
322	G	27.3	Very low	29.4	Very low	79 Å²	79	123.4 Å²	123.4	81%	0.814	81%	0.811	S	S	*	*			trans	-174.5	79.2	170.5	0	0	0	0	0	115.2
323	T	28.7	Very low	29.4	Very low	130 Å²	130	123.7 Å²	123.7	80%	0.798	81%	0.813	S	S	*	*			trans	-40.8	149.5	171.2	-1.5	0	0	0	0	119.9
324	R	28.5	Very low	29.4	Very low	234 Å²	234	123.2 Å²	123.2	88%	0.883	81%	0.812	S	S	*	*				129.3	109.8	124	-93.3	174.6	178.8	-167.4	-0.2	119.4
325	A	28.5	Very low	29.5	Very low	99 Å²	99	122.5 Å²	122.5	82%	0.818	81%	0.813	S	S	*	*				51.5	111.3	119.3	0	0	0	0	0	124.2
326	G	26.3	Very low	29.8	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	82%	0.819	S	S	*	*				64	170.1	126.8	0	0	0	0	0	121.7
327	P	41.3	Very low	29.7	Very low	129 Å²	129	121.7 Å²	121.7	84%	0.838	82%	0.816	S	S	*	*			cis	-132.7	177.1	-7	39.6	-21.3	0	0	0	115.5
328	S	29.9	Very low	29.7	Very low	111 Å²	111	121.9 Å²	121.9	78%	0.776	82%	0.819	S	S	*	*			trans	-67.5	172	169	-45.2	0	0	0	0	114
329	P	38.2	Very low	29.7	Very low	132 Å²	132	123.3 Å²	123.3	86%	0.857	82%	0.817	S	S	*	*				-141.9	171.4	111.8	35.8	-20.2	0	0	0	115.1
330	A	27.3	Very low	29.5	Very low	91 Å²	91	125.6 Å²	125.6	75%	0.752	82%	0.818	S	S	*	*			trans	-102.3	173.4	-167.2	0	0	0	0	0	115.2
331	S	26.6	Very low	28.9	Very low	110 Å²	110	124 Å²	124	77%	0.769	81%	0.81	S	S	*	*			trans	89.5	120.2	148.2	75.9	0	0	0	0	119.9
332	S	28.5	Very low	28.8	Very low	121 Å²	121	124 Å²	124	85%	0.846	81%	0.807	S	S	*	*				161.4	137	99.3	47.3	0	0	0	0	112.1
333	S	29.6	Very low	28.8	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	81%	0.806	S	S	*	*			trans	-78.3	169.2	170.3	-50.1	0	0	0	0	111.5
334	P	31.8	Very low	28.7	Very low	126 Å²	126	125 Å²	125	82%	0.818	81%	0.805	S	S	*	*				-147.7	167.5	92.6	34.5	-15.3	0	0	0	116.1
335	A	28.7	Very low	28.5	Very low	88 Å²	88	119.5 Å²	119.5	73%	0.727	80%	0.802	S	S	*	*			trans	-69.9	171	170	0	0	0	0	0	113.1
336	P	35.3	Very low	28.3	Very low	130 Å²	130	120.4 Å²	120.4	84%	0.844	80%	0.803	S	S	*	*				-140.5	159.5	90.7	29.4	-9.3	0	0	0	112.1
337	G	26.8	Very low	28.3	Very low	79 Å²	79	126 Å²	126	81%	0.814	81%	0.808	S	S	*	*				107.5	111.1	58.7	0	0	0	0	0	108
338	G	24.8	Very low	27.5	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	81%	0.811	S	S	*	*			trans	-86.2	169.9	-170.9	0	0	0	0	0	115
339	D	25.6	Very low	27.3	Very low	165 Å²	165	127 Å²	127	88%	0.882	81%	0.812	S	S	*	*			trans	-158	155.1	149.2	-115.5	-29	0	0	0	113.4
340	R	24.7	Very low	26.7	Very low	227 Å²	227	124.4 Å²	124.4	86%	0.857	81%	0.81	S	S	*	*			trans	-74.3	154.8	-166.9	-62.5	165	165.2	177.6	-4.8	113.5
341	S	23.2	Very low	26.5	Very low	92 Å²	92	129.6 Å²	129.6	64%	0.643	82%	0.816	S	S	*	*				142.4	147.9	105.5	70.7	0	0	0	0	118.2
342	F	24.3	Very low	26.4	Very low	193 Å²	193	130.1 Å²	130.1	85%	0.846	82%	0.819	S	S	*	*			trans	72.3	110.9	154.3	-57.6	-62.9	0	0	0	122.7
343	S	25.4	Very low	26.2	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	81%	0.808	S	S	*	*			trans	-73.3	163.4	154.9	-43.5	0	0	0	0	111.9
344	P	27.1	Very low	26.1	Very low	120 Å²	120	125.3 Å²	125.3	78%	0.779	80%	0.795	S	S	*	*				-134.3	150.9	120.8	32.4	-18.5	0	0	0	114.4
345	S	24.4	Very low	25.8	Very low	117 Å²	117	127.4 Å²	127.4	82%	0.818	80%	0.798	S	S	*	*			trans	-42.5	140.3	172.3	49.2	0	0	0	0	116.7
346	S	25.7	Very low	26	Very low	119 Å²	119	128 Å²	128	83%	0.832	79%	0.785	S	S	*	*			trans	-136.6	136.9	158.2	37.2	0	0	0	0	111.2
347	Q	24.8	Very low	25.7	Very low	193 Å²	193	124.6 Å²	124.6	90%	0.902	76%	0.764	S	S	*	*			trans	-75.6	143.3	-164.2	-62.9	165.9	35.9	0	0	111.6
348	T	24.8	Very low	26	Very low	146 Å²	146	121.8 Å²	121.8	90%	0.896	73%	0.731	S	S	*	*			trans	-80.8	114.4	175.8	55.5	0	0	0	0	109.9
349	S	25.4	Very low	26.3	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	71%	0.705	S	S	*	*			trans	-115.1	115.9	158	58	0	0	0	0	107.8
350	G	25.3	Very low	26.6	Very low	78 Å²	78	114.1 Å²	114.1	80%	0.804	68%	0.68	S	S	*	*			trans	-61.9	147	-174.8	0	0	0	0	0	113.5
351	F	24.1	Very low	26.9	Very low	201 Å²	201	105 Å²	105	88%	0.882	65%	0.65	S	S	*	*			trans	-133.1	106.7	159.9	-150.6	-98.5	0	0	0	107.9
352	S	23.7	Very low	27.4	Very low	121 Å²	121	101.9 Å²	101.9	85%	0.846	63%	0.629	S	S	*	*			trans	-86.9	134.1	169.4	175.4	0	0	0	0	108.1
353	G	25.7	Very low	27.6	Very low	58 Å²	58	95.3 Å²	95.3	60%	0.598	60%	0.602	S	S	*	*			trans	112.3	74	160.1	0	0	0	0	0	115.6
354	S	26.2	Very low	27.9	Very low	77 Å²	77	93.7 Å²	93.7	54%	0.538	58%	0.584	S	S	.	*			trans	-88.5	102.1	159.8	-68.5	0	0	0	0	109.3	F356	S354-F356 WeakPolarHBondContact O-CD2 2.95Å; S354-F356 PolarHBondContact O-N 3.22Å
355	L	25	Very low	28	Very low	170 Å²	170	92.3 Å²	92.3	89%	0.89	58%	0.577	S	S	*	*			trans	-76.8	104.7	160.5	-69.2	165.6	0	0	0	106.8
356	F	34.1	Very low	28.1	Very low	101 Å²	101	90.4 Å²	90.4	44%	0.443	58%	0.576	S	S	.	*			trans	-85.1	129.4	-177.4	-66.3	-76.7	0	0	0	111.4	S354	S354-F356 WeakPolarHBondContact O-CD2 2.95Å; S354-F356 PolarHBondContact O-N 3.22Å
357	S	28.6	Very low	28.1	Very low	57 Å²	57	90.8 Å²	90.8	40%	0.399	58%	0.579	S	S	.	*			trans	-135	104	158.2	177	0	0	0	0	107.9
358	T	32.3	Very low	28.3	Very low	21 Å²	21	87.2 Å²	87.2	13%	0.129	58%	0.575	C	S	.	*			trans	-68	139.7	164.7	8.2	0	0	0	0	108.4	K213 N216 S360	K213-T358 PolarHBondContact NZ-OG1 3.09Å; N216-T358 VanDerWaalsContact OD1-CG2 3.29Å; N216-T358 WeakPolarHBondContact OD1-CG2 3.34Å; T358-S360 PolarHBondContact O-N 2.83Å
359	A	32.1	Very low	28.4	Very low	30 Å²	30	88.2 Å²	88.2	25%	0.248	58%	0.575	C	S	.	*			trans	-60	105.7	-168.8	0	0	0	0	0	113.5	W86 Q169	W86-A359 CarbonylContact O-C 3.59Å; W86-A359 WeakPolarHBondContact O-CA 3.41Å; W86-A359 VanDerWaalsContact O-CB 3.31Å; W86-A359 WeakPolarHBondContact O-CB 3.45Å; Q169-A359 PolarHBondContact OE1-O 3.22Å
360	S	31	Very low	28.6	Very low	50 Å²	50	91.9 Å²	91.9	35%	0.35	58%	0.579	S	S	.	*			trans	-75.7	123.2	177.6	-60.5	0	0	0	0	111.6	W86 T358	W86-S360 PolarHBondContact O-N 3.01Å; T358-S360 PolarHBondContact O-N 2.83Å
361	C	32.2	Very low	28.8	Very low	35 Å²	35	100 Å²	100	24%	0.236	59%	0.586	C	S	.	*			trans	-115.4	100.1	172.1	-64.6	0	0	0	0	111.2	L84 G85 H168	L84-C361 WeakPolarHBondContact O-CB 3.29Å; L84-C361 PolarHBondContact O-SG 3.43Å; G85-C361 VanDerWaalsContact CA-SG 3.52Å; H168-C361 PolarHBondContact ND1-O 2.89Å
362	S	32.2	Very low	29	Very low	26 Å²	26	99.7 Å²	99.7	18%	0.182	59%	0.587	C	S	.	*			trans	-118.3	143.1	180	54.8	0	0	0	0	112.9	D50	D50-S362 PolarHBondContact O-OG 3.2Å
363	I	29	Very low	29.1	Very low	55 Å²	55	100.7 Å²	100.7	28%	0.282	59%	0.588	S	S	.	*			trans	-157	118.4	172.6	-54.9	174.8	0	0	0	105.8	K172 L229	K172-I363 PolarHBondContact NZ-O 3.06Å; L229-I363 HydrophobicContact CD2-CD1 4.25Å
364	L	32.9	Very low	29.2	Very low	79 Å²	79	102.2 Å²	102.2	41%	0.414	60%	0.604	S	S	.	*			trans	-156.1	137.8	152	-93.2	-161	0	0	0	110.7	K176	K176-L364 HydrophobicContact CD-CD1 4Å; K176-L364 VanDerWaalsContact NZ-CD1 3.31Å
365	S	29.2	Very low	29.1	Very low	91 Å²	91	102.2 Å²	102.2	64%	0.636	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-94	144.5	174	26.6	0	0	0	0	111.5
366	G	26	Very low	29.3	Very low	77 Å²	77	101.8 Å²	101.8	79%	0.794	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-85.9	161	-172.4	0	0	0	0	0	116.5
367	S	26.3	Very low	29.5	Very low	127 Å²	127	104.7 Å²	104.7	89%	0.888	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-97.5	124.9	172	-65.3	0	0	0	0	110.3
368	S	27.4	Very low	29.4	Very low	117 Å²	117	107.6 Å²	107.6	82%	0.818	65%	0.653	S	S	*	*			trans	-107.2	120.9	170.5	-54.4	0	0	0	0	109.7	Q370	S368-Q370 PolarHBondContact O-N 3.46Å
369	N	28.6	Very low	29.6	Very low	167 Å²	167	112.1 Å²	112.1	89%	0.893	68%	0.683	S	S	*	*			trans	-67.3	117.5	171.4	-82.3	-21.5	0	0	0	110.8
370	Q	29.2	Very low	29.6	Very low	192 Å²	192	116 Å²	116	90%	0.897	71%	0.708	S	S	*	*			trans	-137.6	138.3	155.1	-74.7	-163.5	44.3	0	0	111.4	S368	S368-Q370 PolarHBondContact O-N 3.46Å
371	R	28.2	Very low	29.7	Very low	249 Å²	249	119.3 Å²	119.3	94%	0.94	73%	0.726	S	S	*	*			trans	-69.4	147.6	-170.7	-71.1	173	172.3	170.3	-3.5	112.5
372	E	29.7	Very low	30.1	Very low	193 Å²	193	123.5 Å²	123.5	90%	0.902	75%	0.753	S	S	*	*			trans	-64.2	134.2	175.2	-63.9	178.6	145.5	0	0	113
373	T	24.6	Very low	30.7	Very low	143 Å²	143	129.9 Å²	129.9	88%	0.877	78%	0.778	S	S	*	*			trans	-143.5	124.2	146.8	50.2	0	0	0	0	108.3
374	G	29.2	Very low	32	Very low	89 Å²	89	129.4 Å²	129.4	92%	0.918	78%	0.779	S	S	*	*			trans	-71.8	159.4	-167.2	0	0	0	0	0	116.7
375	G	23.6	Very low	33.3	Very low	77 Å²	77	126.1 Å²	126.1	79%	0.794	76%	0.764	S	S	*	*			trans	166.8	120.6	170.4	0	0	0	0	0	113.3
376	L	28.4	Very low	34.7	Very low	161 Å²	161	123.9 Å²	123.9	84%	0.843	75%	0.748	S	S	*	*			trans	-12.3	131.3	174.6	-76.9	104.1	0	0	0	121.4
377	L	38.6	Very low	36.8	Very low	163 Å²	163	126 Å²	126	85%	0.853	74%	0.741	S	S	*	*			trans	41.1	105.3	144.9	-63.2	171.2	0	0	0	118.9
378	S	26	Very low	39.4	Very low	117 Å²	117	123.5 Å²	123.5	82%	0.818	72%	0.718	S	S	*	*			trans	-159	156.4	160.3	-81.8	0	0	0	0	111.1
379	P	36.4	Very low	42.2	Very low	117 Å²	117	119.2 Å²	119.2	76%	0.76	69%	0.685	S	S	*	*			trans	-77.5	137.7	-153.6	29.6	-33.7	0	0	0	114.2
380	S	33.9	Very low	45.1	Very low	111 Å²	111	113.6 Å²	113.6	78%	0.776	66%	0.657	S	S	*	*			trans	23.9	109.5	161.7	53.7	0	0	0	0	117.7
381	T	32.4	Very low	48.2	Very low	119 Å²	119	106.3 Å²	106.3	73%	0.73	62%	0.624	S	S	*	*			trans	-47.8	143.2	162.1	44	0	0	0	0	111.8	F383	T381-F383 PolarHBondContact O-N 3.14Å; T381-F383 VanDerWaalsContact O-N 3.14Å
382	P	40.2	Very low	51.4	Low	124 Å²	124	94.5 Å²	94.5	81%	0.805	58%	0.58	S	S	*	*			trans	-66.6	117.3	177.3	26.2	-30.3	0	0	0	109	S384	P382-S384 PolarHBondContact O-N 3.4Å
383	F	44.5	Very low	54.6	Low	160 Å²	160	87.9 Å²	87.9	70%	0.702	55%	0.55	S	S	*	*			trans	-59.2	107.3	168.6	-99.5	-97	0	0	0	108.4	H228 T381	H228-F383 PolarHBondContact CE1-O 2.78Å; T381-F383 PolarHBondContact O-N 3.14Å; T381-F383 VanDerWaalsContact O-N 3.14Å
384	S	55.8	Low	58	Low	44 Å²	44	84.6 Å²	84.6	31%	0.308	53%	0.525	S	S	.	.			trans	-68.4	133.2	175	178.6	0	0	0	0	110.3	P382 S386 N387	P382-S384 PolarHBondContact O-N 3.4Å; S384-S386 WeakPolarHBondContact CB-OG 3.28Å; S384-S386 PolarHBondContact O-N 3.4Å; S384-S386 PolarHBondContact OG-N 3.32Å; S384-S386 PolarHBondContact OG-OG 3.39Å; S384-N387 PolarHBondContact O-N 3.48Å
385	A	60.3	Low	61.2	Low	11 Å²	11	83.4 Å²	83.4	9%	0.091	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-47.6	-31	174	0	0	0	0	0	113.3	Y225 H228 N387 L388	Y225-A385 HydrophobicContact CD2-CB 4.31Å; Y225-A385 WeakPolarHBondContact CD2-O 3.39Å; Y225-A385 HydrophobicContact CE2-CB 3.96Å; H228-A385 WeakPolarHBondContact CD2-CB 3.45Å; A385-N387 PolarHBondContact O-N 3.32Å; A385-L388 PolarHBondContact O-N 3.04Å; A385-L388 VanDerWaalsContact O-N 3.16Å
386	S	60.3	Low	64.6	Low	44 Å²	44	85.5 Å²	85.5	31%	0.308	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-58.7	-31.1	180	56.9	0	0	0	0	113.4	S384 L388 L389	S384-S386 WeakPolarHBondContact CB-OG 3.28Å; S384-S386 PolarHBondContact O-N 3.4Å; S384-S386 PolarHBondContact OG-N 3.32Å; S384-S386 PolarHBondContact OG-OG 3.39Å; S386-L388 PolarHBondContact O-N 3.1Å; S386-L389 PolarHBondContact O-N 2.99Å
387	N	68.8	Low	67.8	Low	120 Å²	120	78.5 Å²	78.5	64%	0.642	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-76	-13.1	-177.6	-64.2	-10	0	0	0	112.7	S384 A385	S384-N387 PolarHBondContact O-N 3.48Å; A385-N387 PolarHBondContact O-N 3.32Å
388	L	80.4	Confident	70.6	Confident	76 Å²	76	71.1 Å²	71.1	40%	0.398	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-91.3	-7.9	176.3	-60.1	174.2	0	0	0	112.5	A224 Y225 H228 A385 S386	A224-L388 HydrophobicContact CB-CD1 4.49Å; Y225-L388 HydrophobicContact CD2-CB 4.27Å; H228-L388 HydrophobicContact CB-CD1 4.26Å; A385-L388 PolarHBondContact O-N 3.04Å; A385-L388 VanDerWaalsContact O-N 3.16Å; S386-L388 PolarHBondContact O-N 3.1Å
389	L	86.2	Confident	73.8	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	41%	0.413	C	S	.	.	S	Bend	trans	-86.5	137.2	176.2	-70	175	0	0	0	110.4	V221 Y225 S386 N391	V221-L389 HydrophobicContact CB-CD2 4.45Å; V221-L389 HydrophobicContact CG1-CD2 3.44Å; V221-L389 VanDerWaalsContact CG1-CD2 3.44Å; Y225-L389 HydrophobicContact CD1-CD2 3.9Å; Y225-L389 HydrophobicContact CD2-CD1 4.47Å; Y225-L389 HydrophobicContact CD2-CD2 3.72Å; Y225-L389 HydrophobicContact CD2-CG 3.76Å; Y225-L389 HydrophobicContact CE1-CD2 3.79Å; Y225-L389 HydrophobicContact CE2-CD1 3.75Å; Y225-L389 HydrophobicContact CE2-CD2 3.64Å; Y225-L389 HydrophobicContact CE2-CG 3.53Å; Y225-L389 HydrophobicContact CG-CD2 3.85Å; Y225-L389 HydrophobicContact CG-CG 4.39Å; S386-L389 PolarHBondContact O-N 2.99Å; L389-N391 PolarHBondContact O-N 3.04Å
390	V	91.4	Very high	76.7	Confident	49 Å²	49	72.7 Å²	72.7	30%	0.297	40%	0.403	S	S	.	.			trans	-67.1	118.8	167.8	-178.9	0	0	0	0	107.9	P392 N397 K400 I401	V390-P392 VanDerWaalsContact O-CD 3.27Å; V390-P392 WeakPolarHBondContact O-CD 3.48Å; V390-N397 HydrophobicContact CG1-CB 3.88Å; V390-K400 HydrophobicContact CG1-CB 4Å; V390-K400 HydrophobicContact CG2-CB 4.35Å; V390-I401 HydrophobicContact CG1-CG1 4.1Å
391	N	93.9	Very high	79.6	Confident	39 Å²	39	67.4 Å²	67.4	21%	0.209	37%	0.366	C	S	.	.			trans	-86.5	109.8	178.6	-177.1	6.1	0	0	0	110.3	W173 L389 L393 E394 N397	W173-N391 WeakPolarHBondContact CZ3-OD1 3.36Å; L389-N391 PolarHBondContact O-N 3.04Å; N391-L393 PolarHBondContact O-N 2.8Å; N391-L393 WeakPolarHBondContact OD1-CB 3.42Å; N391-L393 PolarHBondContact OD1-N 2.64Å; N391-E394 HydrophobicContact CB-CG 4.48Å; N391-E394 PolarHBondContact ND2-OE1 3.27Å; N391-E394 PolarHBondContact O-N 3.01Å; N391-N397 WeakPolarHBondContact O-CB 3.43Å; N391-N397 PolarHBondContact O-ND2 3.05Å
392	P	95.4	Very high	82.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.7	179	34.6	-38.6	0	0	0	113.9	W173 L182 P183 C186 L219 V390 I401	W173-P392 HydrophobicContact CB-CG 4Å; W173-P392 HydrophobicContact CD2-CG 3.37Å; W173-P392 HydrophobicContact CE3-CG 3.64Å; W173-P392 HydrophobicContact CG-CG 3.55Å; W173-P392 HydrophobicContact CZ2-CG 4.35Å; W173-P392 HydrophobicContact CZ3-CG 4.24Å; L182-P392 HydrophobicContact CD2-CB 4.06Å; L182-P392 HydrophobicContact CD2-CG 4.45Å; P183-P392 WeakPolarHBondContact CD-O 3.48Å; C186-P392 PolarHBondContact SG-O 3.19Å; C186-P392 VanDerWaalsContact SG-O 3.35Å; L219-P392 HydrophobicContact CD1-CG 4.29Å; V390-P392 VanDerWaalsContact O-CD 3.27Å; V390-P392 WeakPolarHBondContact O-CD 3.48Å; P392-I401 HydrophobicContact CB-CD1 3.81Å; P392-I401 HydrophobicContact CB-CG1 4.39Å
393	L	96.4	Very high	85.5	Confident	54 Å²	54	61.7 Å²	61.7	28%	0.283	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.7	172.4	-54.8	179.8	0	0	0	112.4	W173 K176 L182 P183 N391	W173-L393 HydrophobicContact CE3-CD1 4.28Å; W173-L393 HydrophobicContact CE3-CG 4.07Å; W173-L393 HydrophobicContact CZ3-CG 4.49Å; K176-L393 HydrophobicContact CB-CD1 4.2Å; L182-L393 HydrophobicContact CD1-CD2 4.47Å; L182-L393 HydrophobicContact CG-CD2 4.19Å; P183-L393 VanDerWaalsContact CG-O 3.27Å; P183-L393 WeakPolarHBondContact CG-O 3.35Å; N391-L393 PolarHBondContact O-N 2.8Å; N391-L393 WeakPolarHBondContact OD1-CB 3.42Å; N391-L393 PolarHBondContact OD1-N 2.64Å
394	E	96.1	Very high	88.1	Confident	74 Å²	74	54.7 Å²	54.7	35%	0.346	29%	0.288	S	S	.	.	S	Bend	trans	-100.6	114.5	179.2	-84.1	172.5	-135.3	0	0	110.1	C186 N391 Q396 N397	C186-E394 PolarHBondContact SG-O 3.42Å; N391-E394 HydrophobicContact CB-CG 4.48Å; N391-E394 PolarHBondContact ND2-OE1 3.27Å; N391-E394 PolarHBondContact O-N 3.01Å; E394-Q396 HydrophobicContact CB-CG 4.4Å; E394-Q396 PolarHBondContact O-N 2.71Å; E394-Q396 VanDerWaalsContact O-N 3.13Å; E394-Q396 PolarHBondContact OE2-NE2 3.34Å; E394-N397 HydrophobicContact CB-CB 4.46Å; E394-N397 VanDerWaalsContact CB-ND2 3.33Å; E394-N397 WeakPolarHBondContact CB-ND2 3.36Å; E394-N397 WeakPolarHBondContact O-CB 3.34Å; E394-N397 PolarHBondContact O-N 2.96Å; E394-N397 PolarHBondContact OE2-ND2 3.49Å
395	P	95.8	Very high	90.2	Very high	65 Å²	65	52.6 Å²	52.6	42%	0.422	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-55	-36.4	-175.6	-21.9	28	0	0	0	113.8	P183 N397 A398	P183-P395 HydrophobicContact CB-CB 4.13Å; P183-P395 HydrophobicContact CB-CG 3.82Å; P183-P395 HydrophobicContact CG-CG 3.91Å; P395-N397 PolarHBondContact O-N 3.34Å; P395-N397 VanDerWaalsContact O-N 3.11Å; P395-A398 WeakPolarHBondContact O-CB 3.33Å; P395-A398 PolarHBondContact O-N 3.4Å; P395-A398 VanDerWaalsContact O-N 3.16Å
396	Q	96.2	Very high	91.9	Very high	121 Å²	121	52.5 Å²	52.5	57%	0.565	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.2	-15	179.1	64.8	-87.8	19.2	0	0	114.4	E394	E394-Q396 HydrophobicContact CB-CG 4.4Å; E394-Q396 PolarHBondContact O-N 2.71Å; E394-Q396 VanDerWaalsContact O-N 3.13Å; E394-Q396 PolarHBondContact OE2-NE2 3.34Å
397	N	95.9	Very high	93.5	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.07	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-91.7	-1.2	-179.9	-68.5	-30.3	0	0	0	112.7	V390 N391 E394 P395 D399 K400 I401	V390-N397 HydrophobicContact CG1-CB 3.88Å; N391-N397 WeakPolarHBondContact O-CB 3.43Å; N391-N397 PolarHBondContact O-ND2 3.05Å; E394-N397 HydrophobicContact CB-CB 4.46Å; E394-N397 VanDerWaalsContact CB-ND2 3.33Å; E394-N397 WeakPolarHBondContact CB-ND2 3.36Å; E394-N397 WeakPolarHBondContact O-CB 3.34Å; E394-N397 PolarHBondContact O-N 2.96Å; E394-N397 PolarHBondContact OE2-ND2 3.49Å; P395-N397 PolarHBondContact O-N 3.34Å; P395-N397 VanDerWaalsContact O-N 3.11Å; N397-D399 VanDerWaalsContact C-N 3.29Å; N397-D399 PolarHBondContact O-N 3Å; N397-D399 VanDerWaalsContact O-N 3.16Å; N397-K400 WeakPolarHBondContact O-CA 3.33Å; N397-K400 WeakPolarHBondContact O-CB 3.49Å; N397-K400 PolarHBondContact O-N 2.95Å; N397-K400 PolarHBondContact OD1-NZ 2.54Å; N397-I401 WeakPolarHBondContact O-CG1 3.42Å; N397-I401 PolarHBondContact O-N 3.15Å; N397-I401 VanDerWaalsContact O-N 3.1Å
398	A	95.9	Very high	94.8	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-47	-46.9	-177.7	0	0	0	0	0	113.8	P185 S189 P395 K400 I401	P185-A398 HydrophobicContact CB-CB 3.93Å; S189-A398 VanDerWaalsContact CB-O 3.23Å; S189-A398 WeakPolarHBondContact CB-O 3.49Å; S189-A398 PolarHBondContact OG-O 3.37Å; P395-A398 WeakPolarHBondContact O-CB 3.33Å; P395-A398 PolarHBondContact O-N 3.4Å; P395-A398 VanDerWaalsContact O-N 3.16Å; A398-K400 VanDerWaalsContact C-N 3.3Å; A398-K400 PolarHBondContact O-N 2.84Å; A398-I401 PolarHBondContact O-N 3.04Å
399	D	94.6	Very high	95.4	Very high	141 Å²	141	43.9 Å²	43.9	75%	0.754	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-75.5	-19.4	-178.4	-61.5	-34.2	0	0	0	113.8	N397	N397-D399 VanDerWaalsContact C-N 3.29Å; N397-D399 PolarHBondContact O-N 3Å; N397-D399 VanDerWaalsContact O-N 3.16Å
400	K	95.7	Very high	95.8	Very high	125 Å²	125	46 Å²	46	54%	0.543	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-86.8	-18.1	178.2	-56	176.3	-167.4	160.5	0	112	V390 N397 A398 K402	V390-K400 HydrophobicContact CG1-CB 4Å; V390-K400 HydrophobicContact CG2-CB 4.35Å; N397-K400 WeakPolarHBondContact O-CA 3.33Å; N397-K400 WeakPolarHBondContact O-CB 3.49Å; N397-K400 PolarHBondContact O-N 2.95Å; N397-K400 PolarHBondContact OD1-NZ 2.54Å; A398-K400 VanDerWaalsContact C-N 3.3Å; A398-K400 PolarHBondContact O-N 2.84Å; K400-K402 PolarHBondContact O-N 3.3Å
401	I	96.4	Very high	96.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.224	C	C	.	.			trans	-63.9	123.2	177.3	-68.5	168.1	0	0	0	108.8	C186 I190 Q193 L219 V390 P392 N397 A398 I403	C186-I401 HydrophobicContact CB-CD1 3.63Å; I190-I401 HydrophobicContact CG1-CG2 3.82Å; Q193-I401 PolarHBondContact NE2-O 3.26Å; L219-I401 HydrophobicContact CD2-CG2 3.75Å; V390-I401 HydrophobicContact CG1-CG1 4.1Å; P392-I401 HydrophobicContact CB-CD1 3.81Å; P392-I401 HydrophobicContact CB-CG1 4.39Å; N397-I401 WeakPolarHBondContact O-CG1 3.42Å; N397-I401 PolarHBondContact O-N 3.15Å; N397-I401 VanDerWaalsContact O-N 3.1Å; A398-I401 PolarHBondContact O-N 3.04Å; I401-I403 HydrophobicContact CG2-CG2 3.92Å
402	K	98.1	Very high	96.3	Very high	120 Å²	120	41.9 Å²	41.9	52%	0.522	22%	0.215	S	C	.	.			trans	-122.1	130.5	168.5	-61.9	-61.2	176.1	-163.2	0	107.9	L219 C220 K400	L219-K402 CarbonylContact C-O 3.53Å; L219-K402 WeakPolarHBondContact CA-O 3.15Å; C220-K402 HydrophobicContact CB-CB 3.79Å; C220-K402 PolarHBondContact N-O 3.03Å; K400-K402 PolarHBondContact O-N 3.3Å
403	I	98.2	Very high	96.5	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.4	177.8	63.4	79.1	0	0	0	110.8	I190 Q193 V194 I217 L218 L219 I401	I190-I403 HydrophobicContact CG1-CG2 4.31Å; Q193-I403 HydrophobicContact CB-CD1 3.55Å; Q193-I403 HydrophobicContact CB-CG1 3.54Å; Q193-I403 HydrophobicContact CG-CG1 4.46Å; V194-I403 HydrophobicContact CG2-CD1 3.89Å; I217-I403 HydrophobicContact CG2-CB 3.85Å; I217-I403 HydrophobicContact CG2-CD1 4.05Å; I217-I403 HydrophobicContact CG2-CG1 4.09Å; I217-I403 HydrophobicContact CG2-CG2 4.18Å; L218-I403 CarbonylContact O-C 3.6Å; L218-I403 WeakPolarHBondContact O-CA 3.39Å; L219-I403 HydrophobicContact CD2-CG2 3.79Å; L219-I403 HydrophobicContact CG-CG2 4.37Å; I401-I403 HydrophobicContact CG2-CG2 3.92Å
404	K	98.7	Very high	96.6	Very high	12 Å²	12	44 Å²	44	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.7	163.2	-58.2	-161.1	-179	-153.3	0	111.2	E140 T141 E164 L166 L218	E140-K404 WeakPolarHBondContact O-CD 3.3Å; E140-K404 WeakPolarHBondContact O-CE 3.21Å; E140-K404 PolarHBondContact O-NZ 3.12Å; E140-K404 IonicContact OE2-NZ 3.71Å; T141-K404 CarbonylContact O-C 3.6Å; T141-K404 WeakPolarHBondContact O-CA 3.37Å; E164-K404 VanDerWaalsContact OE1-CD 3.28Å; E164-K404 WeakPolarHBondContact OE1-CD 3.32Å; E164-K404 WeakPolarHBondContact OE1-CE 3.38Å; E164-K404 IonicContact OE1-NZ 3.56Å; E164-K404 PolarHBondContact OE1-NZ 3.24Å; E164-K404 VanDerWaalsContact OE2-CE 3.29Å; E164-K404 WeakPolarHBondContact OE2-CE 3.28Å; E164-K404 IonicContact OE2-NZ 2.8Å; E164-K404 PolarHBondContact OE2-NZ 2.84Å; L166-K404 HydrophobicContact CD1-CB 4.08Å; L166-K404 HydrophobicContact CD1-CD 4.43Å; L166-K404 HydrophobicContact CD2-CB 4.42Å; L166-K404 HydrophobicContact CD2-CD 3.98Å; L166-K404 HydrophobicContact CD2-CG 4.09Å; L218-K404 PolarHBondContact N-O 3Å; L218-K404 PolarHBondContact O-N 2.76Å
405	I	98.8	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130	164.6	-55.1	176.8	0	0	0	107.8	T141 V143 V194 L198 I212 I217	T141-I405 PolarHBondContact O-N 3.19Å; V143-I405 PolarHBondContact N-O 2.93Å; V194-I405 HydrophobicContact CG1-CD1 4.35Å; L198-I405 HydrophobicContact CD2-CD1 4.11Å; L198-I405 HydrophobicContact CG-CD1 4.11Å; I212-I405 HydrophobicContact CD1-CD1 4.41Å; I212-I405 HydrophobicContact CD1-CG2 3.98Å; I217-I405 HydrophobicContact CD1-CB 4.39Å; I217-I405 HydrophobicContact CD1-CG1 3.95Å; I217-I405 HydrophobicContact CD1-CG2 4.44Å
406	A	96.6	Very high	96.6	Very high	9 Å²	9	50 Å²	50	7%	0.074	25%	0.246	C	C	.	.			trans	-130.3	171.9	-179.3	0	0	0	0	0	111.3	V143 H209 N216 L218	V143-A406 HydrophobicContact CB-CB 4.33Å; V143-A406 HydrophobicContact CG1-CB 4.19Å; H209-A406 PolarHBondContact NE2-O 3.2Å; H209-A406 VanDerWaalsContact NE2-O 3.13Å; N216-A406 PolarHBondContact O-N 2.94Å; L218-A406 HydrophobicContact CD1-CB 3.48Å; L218-A406 VanDerWaalsContact CD1-CB 3.48Å; L218-A406 HydrophobicContact CG-CB 3.98Å
407	D	93.6	Very high	96.6	Very high	45 Å²	45	46.8 Å²	46.8	24%	0.241	23%	0.23	C	C	.	.			trans	61.6	77.7	179.9	-155.5	-4	0	0	0	115.2	K107 H209 G409	K107-D407 IonicContact NZ-OD1 2.88Å; H209-D407 PolarHBondContact NE2-O 3.24Å; D407-G409 PolarHBondContact O-N 2.99Å; D407-G409 PolarHBondContact OD1-N 3.47Å
408	L	96.3	Very high	96.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	17.6	173.6	-79.1	70.8	0	0	0	112.2	E122 L125 L126 V129 I142 V143 N410 A411	E122-L408 HydrophobicContact CG-CB 4.42Å; L125-L408 HydrophobicContact CB-CD2 4.2Å; L126-L408 HydrophobicContact CD2-CD1 4.24Å; L126-L408 HydrophobicContact CD2-CD2 4.21Å; V129-L408 HydrophobicContact CG2-CD2 3.81Å; I142-L408 HydrophobicContact CG2-CD1 4.32Å; V143-L408 HydrophobicContact CG1-CD1 4.48Å; L408-N410 VanDerWaalsContact C-N 3.27Å; L408-N410 PolarHBondContact O-N 3.03Å; L408-A411 HydrophobicContact CB-CB 4.03Å; L408-A411 HydrophobicContact CG-CB 4.21Å; L408-A411 WeakPolarHBondContact O-CB 3.45Å; L408-A411 PolarHBondContact O-N 2.75Å
409	G	93.4	Very high	96.4	Very high	15 Å²	15	53.1 Å²	53.1	16%	0.155	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.4	-177.6	0	0	0	0	0	114.1	T118 D407	T118-G409 WeakPolarHBondContact CG2-O 3.13Å; D407-G409 PolarHBondContact O-N 2.99Å; D407-G409 PolarHBondContact OD1-N 3.47Å
410	N	95.1	Very high	96.4	Very high	70 Å²	70	49.7 Å²	49.7	37%	0.374	24%	0.241	S	C	.	.	S	Bend	trans	-98.7	-11.5	175.8	-67.5	-34	0	0	0	113.1	T210 D211 L408	T210-N410 PolarHBondContact OG1-O 3.16Å; D211-N410 HydrophobicContact CB-CB 4.3Å; D211-N410 PolarHBondContact OD2-ND2 3.26Å; L408-N410 VanDerWaalsContact C-N 3.27Å; L408-N410 PolarHBondContact O-N 3.03Å
411	A	98.1	Very high	96.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.237	C	C	.	.			trans	-63.9	156.3	-175.6	0	0	0	0	0	112	L125 I207 I208 H209 L408 F418	L125-A411 HydrophobicContact CD1-CB 4.07Å; L125-A411 WeakPolarHBondContact CD1-O 3.35Å; I207-A411 HydrophobicContact CG2-CB 4.06Å; I208-A411 VanDerWaalsContact O-CA 3.27Å; I208-A411 WeakPolarHBondContact O-CA 3.48Å; I208-A411 VanDerWaalsContact O-CB 3.3Å; I208-A411 WeakPolarHBondContact O-CB 3.44Å; H209-A411 VanDerWaalsContact O-CA 3.31Å; H209-A411 WeakPolarHBondContact O-CA 3.28Å; H209-A411 PolarHBondContact O-N 3.01Å; L408-A411 HydrophobicContact CB-CB 4.03Å; L408-A411 HydrophobicContact CG-CB 4.21Å; L408-A411 WeakPolarHBondContact O-CB 3.45Å; L408-A411 PolarHBondContact O-N 2.75Å; A411-F418 WeakPolarHBondContact O-CD2 3.47Å; A411-F418 VanDerWaalsContact O-CE2 3.28Å; A411-F418 WeakPolarHBondContact O-CE2 3.47Å
412	C	98.3	Very high	96.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.3	178.8	66.4	0	0	0	0	111.4	I207 I208 F418 Y438	I207-C412 CarbonylContact C-O 3.59Å; I207-C412 WeakPolarHBondContact CA-O 3.41Å; I208-C412 PolarHBondContact N-O 3.14Å; I208-C412 PolarHBondContact O-N 3.02Å; C412-F418 HydrophobicContact CB-CD2 3.71Å; C412-F418 HydrophobicContact CB-CE2 4.08Å; C412-F418 HydrophobicContact CB-CG 4.28Å; C412-Y438 PolarHBondContact SG-OH 3.12Å; C412-Y438 VanDerWaalsContact SG-OH 3.33Å
413	W	98.5	Very high	96.5	Very high	42 Å²	42	42.8 Å²	42.8	16%	0.159	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.6	174.4	-57.2	97.9	0	0	0	110.1	L125 C128 C205 K206 I207 H415 K416 H417	L125-W413 HydrophobicContact CD2-CD2 3.98Å; L125-W413 HydrophobicContact CD2-CE3 4.4Å; L125-W413 HydrophobicContact CD2-CH2 4.03Å; L125-W413 HydrophobicContact CD2-CZ2 3.59Å; L125-W413 HydrophobicContact CD2-CZ3 4.42Å; L125-W413 HydrophobicContact CG-CZ2 4.23Å; C128-W413 HydrophobicContact CB-CH2 3.35Å; C128-W413 HydrophobicContact CB-CZ2 4.3Å; C128-W413 HydrophobicContact CB-CZ3 4.08Å; C128-W413 WeakPolarHBondContact SG-CH2 3.35Å; C128-W413 WeakPolarHBondContact SG-CZ3 3.29Å; C205-W413 VanDerWaalsContact O-CZ3 3.23Å; C205-W413 WeakPolarHBondContact O-CZ3 3.45Å; K206-W413 WeakPolarHBondContact O-CA 3.13Å; I207-W413 HydrophobicContact CD1-CE3 4.39Å; I207-W413 HydrophobicContact CD1-CH2 3.91Å; I207-W413 HydrophobicContact CD1-CZ3 3.72Å; I207-W413 HydrophobicContact CG1-CD2 4.4Å; I207-W413 HydrophobicContact CG1-CE3 3.58Å; I207-W413 HydrophobicContact CG1-CH2 4Å; I207-W413 HydrophobicContact CG1-CZ3 3.35Å; W413-H415 AromaticContact CG-CE1 3.89Å; W413-H415 PolarHBondContact O-N 2.62Å; W413-H415 VanDerWaalsContact O-N 3.08Å; W413-K416 HydrophobicContact CB-CB 4.09Å; W413-K416 PolarHBondContact N-O 2.91Å; W413-K416 CarbonylContact O-C 3.54Å; W413-K416 PolarHBondContact O-N 2.6Å; W413-K416 VanDerWaalsContact O-O 3.13Å; W413-H417 PolarHBondContact O-CD2 3.29Å
414	V	97.8	Very high	96.5	Very high	56 Å²	56	43.4 Å²	43.4	34%	0.339	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.7	173	174.4	0	0	0	0	112.1	K206 I208 P440	K206-V414 HydrophobicContact CB-CB 4.42Å; K206-V414 HydrophobicContact CB-CG2 4.34Å; K206-V414 WeakPolarHBondContact O-CG2 3.45Å; K206-V414 PolarHBondContact O-N 2.88Å; I208-V414 HydrophobicContact CD1-CG2 4.14Å; I208-V414 HydrophobicContact CG1-CG2 3.73Å; V414-P440 HydrophobicContact CG2-CG 3.79Å
415	H	96.4	Very high	96.4	Very high	148 Å²	148	45.2 Å²	45.2	69%	0.685	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	1.1	-179.9	64.1	-86.3	0	0	0	113.6	W413	W413-H415 AromaticContact CG-CE1 3.89Å; W413-H415 PolarHBondContact O-N 2.62Å; W413-H415 VanDerWaalsContact O-N 3.08Å
416	K	96.2	Very high	96.4	Very high	119 Å²	119	47.1 Å²	47.1	52%	0.517	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-153.9	94.1	-178.3	-172.5	-173.8	177.6	-174.2	0	110.8	W413 F418	W413-K416 HydrophobicContact CB-CB 4.09Å; W413-K416 PolarHBondContact N-O 2.91Å; W413-K416 CarbonylContact O-C 3.54Å; W413-K416 PolarHBondContact O-N 2.6Å; W413-K416 VanDerWaalsContact O-O 3.13Å; K416-F418 HydrophobicContact CD-CE1 4.35Å
417	H	96.5	Very high	96.5	Very high	52 Å²	52	46.9 Å²	46.9	24%	0.241	23%	0.232	C	C	.	.			trans	-76.6	143.6	173.1	-61.8	174.6	0	0	0	111.1	W413 Y438	W413-H417 PolarHBondContact O-CD2 3.29Å; H417-Y438 HydrophobicContact CB-CE1 4.42Å; H417-Y438 VanDerWaalsContact CB-OH 3.25Å; H417-Y438 WeakPolarHBondContact CB-OH 3.32Å; H417-Y438 AromaticContact CD2-CE2 3.9Å; H417-Y438 AromaticContact CD2-CZ 3.76Å; H417-Y438 AromaticContact CE1-CE1 3.89Å; H417-Y438 AromaticContact CE1-CE2 3.7Å; H417-Y438 AromaticContact CE1-CZ 3.65Å; H417-Y438 PolarHBondContact CE1-O 3.09Å; H417-Y438 VanDerWaalsContact CE1-O 3.28Å; H417-Y438 AromaticContact CG-CE1 3.96Å; H417-Y438 AromaticContact CG-CZ 3.46Å; H417-Y438 VanDerWaalsContact CG-CZ 3.46Å; H417-Y438 AromaticContact ND1-CE1 3.46Å; H417-Y438 WeakPolarHBondContact ND1-CE1 3.42Å; H417-Y438 AromaticContact ND1-CE2 3.93Å; H417-Y438 AromaticContact ND1-CZ 3.37Å; H417-Y438 AromaticContact NE2-CE2 3.69Å; H417-Y438 AromaticContact NE2-CZ 3.89Å
418	F	93.2	Very high	96.8	Very high	84 Å²	84	45.8 Å²	45.8	37%	0.368	23%	0.225	S	C	.	.	S	Bend	trans	-97.2	-30.6	176.9	-62.5	-45.4	0	0	0	112.8	D121 L125 A411 C412 K416	D121-F418 HydrophobicContact CB-CE2 4.43Å; D121-F418 HydrophobicContact CB-CZ 4.18Å; L125-F418 HydrophobicContact CD1-CE2 4.34Å; A411-F418 WeakPolarHBondContact O-CD2 3.47Å; A411-F418 VanDerWaalsContact O-CE2 3.28Å; A411-F418 WeakPolarHBondContact O-CE2 3.47Å; C412-F418 HydrophobicContact CB-CD2 3.71Å; C412-F418 HydrophobicContact CB-CE2 4.08Å; C412-F418 HydrophobicContact CB-CG 4.28Å; K416-F418 HydrophobicContact CD-CE1 4.35Å
419	T	94.9	Very high	96.9	Very high	71 Å²	71	45.8 Å²	45.8	44%	0.436	23%	0.225	S	C	.	.			trans	-154.8	157.6	179.4	-179.7	0	0	0	0	109.2	D421 I422 Y438	T419-D421 VanDerWaalsContact CG2-O 3.31Å; T419-D421 WeakPolarHBondContact CG2-O 3.46Å; T419-D421 PolarHBondContact OG1-N 3.06Å; T419-I422 HydrophobicContact CG2-CG2 3.94Å; T419-Y438 PolarHBondContact O-OH 3.33Å; T419-Y438 VanDerWaalsContact O-OH 3.1Å
420	E	94.4	Very high	97.1	Very high	70 Å²	70	45.1 Å²	45.1	33%	0.327	22%	0.217	S	C	.	.	S	Bend	trans	-95.4	-15.8	173.5	-57.7	-74.7	130.4	0	0	111.9	I422 R495	E420-I422 PolarHBondContact O-N 2.86Å; E420-R495 IonicContact OE2-CZ 2.76Å; E420-R495 IonicContact OE2-NH1 3.75Å; E420-R495 PolarHBondContact OE2-NH1 3.02Å; E420-R495 VanDerWaalsContact OE2-NH1 3.1Å; E420-R495 IonicContact OE2-NH2 2.83Å; E420-R495 PolarHBondContact OE2-NH2 3.39Å
421	D	95.8	Very high	97.3	Very high	84 Å²	84	41.8 Å²	41.8	45%	0.449	20%	0.2	S	C	.	.			trans	-89.4	95.5	171.7	-178.5	24.6	0	0	0	109	T419 R428	T419-D421 VanDerWaalsContact CG2-O 3.31Å; T419-D421 WeakPolarHBondContact CG2-O 3.46Å; T419-D421 PolarHBondContact OG1-N 3.06Å; D421-R428 IonicContact OD1-CZ 3.75Å; D421-R428 IonicContact OD1-NH1 3.83Å; D421-R428 IonicContact OD1-NH2 3.69Å; D421-R428 PolarHBondContact OD1-NH2 3.08Å
422	I	97.8	Very high	97.3	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	20%	0.203	C	C	.	.			trans	-123	172.4	-179.5	63.1	161.9	0	0	0	111.2	T210 T419 E420 R428 V432 Y438	T210-I422 HydrophobicContact CG2-CD1 4.1Å; T210-I422 HydrophobicContact CG2-CG2 4.25Å; T419-I422 HydrophobicContact CG2-CG2 3.94Å; E420-I422 PolarHBondContact O-N 2.86Å; I422-R428 PolarHBondContact O-NE 3.31Å; I422-R428 PolarHBondContact O-NH2 3.33Å; I422-V432 HydrophobicContact CD1-CG2 3.84Å; I422-V432 HydrophobicContact CG1-CB 4.47Å; I422-V432 HydrophobicContact CG1-CG1 3.83Å; I422-V432 HydrophobicContact CG1-CG2 3.76Å; I422-Y438 HydrophobicContact CD1-CD1 3.97Å; I422-Y438 HydrophobicContact CD1-CD2 3.52Å; I422-Y438 HydrophobicContact CD1-CE1 4.14Å; I422-Y438 HydrophobicContact CD1-CE2 3.73Å; I422-Y438 HydrophobicContact CD1-CG 3.65Å; I422-Y438 HydrophobicContact CG1-CD1 4.5Å; I422-Y438 HydrophobicContact CG2-CE1 4.42Å
423	Q	98.3	Very high	97.3	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.033	20%	0.204	C	C	.	.	S	Bend	trans	63.2	138.8	178.8	-57.6	169.1	-63	0	0	114.4	T210 Y427 R428 V432 A442 S446	T210-Q423 WeakPolarHBondContact O-CA 3.43Å; T210-Q423 WeakPolarHBondContact O-CG 3.41Å; T210-Q423 PolarHBondContact O-N 3.22Å; Q423-Y427 PolarHBondContact NE2-O 3.42Å; Q423-R428 HydrophobicContact CB-CB 4.04Å; Q423-R428 HydrophobicContact CB-CG 4.22Å; Q423-R428 PolarHBondContact O-NE 2.83Å; Q423-R428 PolarHBondContact O-NH2 3.15Å; Q423-V432 VanDerWaalsContact OE1-CG2 3.24Å; Q423-A442 PolarHBondContact NE2-O 2.92Å; Q423-S446 PolarHBondContact NE2-OG 3.45Å
424	T	97.1	Very high	97.3	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.092	20%	0.197	C	C	.	.			trans	-63.7	143.5	165.4	-63.9	0	0	0	0	110.2	D211 K213 Q426 Y427 R428	D211-T424 WeakPolarHBondContact OD1-CB 3.35Å; D211-T424 PolarHBondContact OD1-N 2.91Å; D211-T424 VanDerWaalsContact OD1-N 3.14Å; D211-T424 PolarHBondContact OD1-OG1 3.44Å; K213-T424 HydrophobicContact CD-CG2 4.2Å; K213-T424 WeakPolarHBondContact CD-OG1 3.35Å; K213-T424 WeakPolarHBondContact CE-OG1 3.49Å; K213-T424 PolarHBondContact NZ-OG1 3.45Å; T424-Q426 PolarHBondContact O-N 3.12Å; T424-Y427 HydrophobicContact CG2-CD2 3.97Å; T424-Y427 HydrophobicContact CG2-CE2 4.08Å; T424-Y427 CarbonylContact O-C 3.58Å; T424-Y427 PolarHBondContact O-N 2.87Å; T424-R428 PolarHBondContact O-N 3.47Å
425	R	98	Very high	97.3	Very high	50 Å²	50	38.1 Å²	38.1	19%	0.189	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-43.8	-52.7	-167.8	172.2	57.7	62.5	-179.4	0.8	114.6	Y427 R428 P463 D472 H475	R425-Y427 PolarHBondContact O-N 2.92Å; R425-R428 WeakPolarHBondContact O-CB 3.41Å; R425-R428 PolarHBondContact O-N 3.46Å; R425-P463 HydrophobicContact CG-CG 4.21Å; R425-D472 IonicContact CZ-OD1 3.53Å; R425-D472 VanDerWaalsContact CZ-OD1 3.24Å; R425-D472 IonicContact NH1-OD1 3.4Å; R425-D472 PolarHBondContact NH1-OD1 3.41Å; R425-D472 IonicContact NH2-OD1 3.54Å; R425-D472 PolarHBondContact NH2-OD1 2.92Å; R425-H475 PolarHBondContact O-CE1 3.38Å
426	Q	98.5	Very high	97.4	Very high	40 Å²	40	31.7 Å²	31.7	19%	0.187	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-72.8	-14.4	-173.7	-64.7	80.5	-2.4	0	0	113.5	T424 Y459 F461	T424-Q426 PolarHBondContact O-N 3.12Å; Q426-Y459 HydrophobicContact CB-CD1 3.77Å; Q426-Y459 HydrophobicContact CB-CE1 4.21Å; Q426-Y459 HydrophobicContact CB-CG 4.06Å; Q426-Y459 HydrophobicContact CG-CD1 3.78Å; Q426-Y459 HydrophobicContact CG-CD2 3.89Å; Q426-Y459 HydrophobicContact CG-CE1 4.07Å; Q426-Y459 HydrophobicContact CG-CE2 4.17Å; Q426-Y459 HydrophobicContact CG-CG 3.69Å; Q426-F461 WeakPolarHBondContact CG-O 3.37Å
427	Y	98.8	Very high	97.3	Very high	4 Å²	4	34 Å²	34	2%	0.016	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-112.8	6	-177.7	-46.3	-85.6	0	0	0	112.1	K213 P214 Q423 T424 R425 S446 C449 M450 E453 Y459	K213-Y427 HydrophobicContact CB-CD1 4.35Å; K213-Y427 HydrophobicContact CB-CD2 3.79Å; K213-Y427 HydrophobicContact CB-CE1 4.14Å; K213-Y427 HydrophobicContact CB-CE2 3.51Å; K213-Y427 HydrophobicContact CB-CG 4.19Å; K213-Y427 HydrophobicContact CD-CE2 4.26Å; P214-Y427 WeakPolarHBondContact CD-OH 3.49Å; Q423-Y427 PolarHBondContact NE2-O 3.42Å; T424-Y427 HydrophobicContact CG2-CD2 3.97Å; T424-Y427 HydrophobicContact CG2-CE2 4.08Å; T424-Y427 CarbonylContact O-C 3.58Å; T424-Y427 PolarHBondContact O-N 2.87Å; R425-Y427 PolarHBondContact O-N 2.92Å; Y427-S446 PolarHBondContact O-OG 3.25Å; Y427-C449 HydrophobicContact CD1-CB 3.86Å; Y427-M450 HydrophobicContact CD1-CB 4.36Å; Y427-M450 HydrophobicContact CE1-CB 4.22Å; Y427-E453 WeakPolarHBondContact CE1-OE2 3.31Å; Y427-E453 VanDerWaalsContact CZ-OE2 3.25Å; Y427-E453 PolarHBondContact OH-OE1 2.61Å; Y427-E453 PolarHBondContact OH-OE2 2.95Å; Y427-Y459 WeakPolarHBondContact OH-CE1 3.27Å
428	R	98.8	Very high	97.4	Very high	23 Å²	23	31.9 Å²	31.9	9%	0.087	16%	0.158	C	C	.	.			trans	-77	128.6	-172.4	-174.1	173.1	-69.3	-177.5	-9.6	111	D421 I422 Q423 T424 R425 V432 L433 W445	D421-R428 IonicContact OD1-CZ 3.75Å; D421-R428 IonicContact OD1-NH1 3.83Å; D421-R428 IonicContact OD1-NH2 3.69Å; D421-R428 PolarHBondContact OD1-NH2 3.08Å; I422-R428 PolarHBondContact O-NE 3.31Å; I422-R428 PolarHBondContact O-NH2 3.33Å; Q423-R428 HydrophobicContact CB-CB 4.04Å; Q423-R428 HydrophobicContact CB-CG 4.22Å; Q423-R428 PolarHBondContact O-NE 2.83Å; Q423-R428 PolarHBondContact O-NH2 3.15Å; T424-R428 PolarHBondContact O-N 3.47Å; R425-R428 WeakPolarHBondContact O-CB 3.41Å; R425-R428 PolarHBondContact O-N 3.46Å; R428-V432 HydrophobicContact CG-CB 3.93Å; R428-V432 HydrophobicContact CG-CG1 3.85Å; R428-L433 HydrophobicContact CG-CD2 3.97Å; R428-L433 HydrophobicContact CG-CG 4.22Å; R428-W445 PolarHBondContact O-NE1 2.87Å
429	A	98.7	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.			trans	-76.5	153.8	-177.3	0	0	0	0	0	112.3	E431 V432 L433 A442 W445	A429-E431 VanDerWaalsContact C-N 3.3Å; A429-E431 VanDerWaalsContact CB-CD 3.46Å; A429-E431 HydrophobicContact CB-CG 4.3Å; A429-E431 WeakPolarHBondContact CB-OE1 3.32Å; A429-E431 WeakPolarHBondContact CB-OE2 3.24Å; A429-E431 PolarHBondContact O-N 3.23Å; A429-V432 HydrophobicContact CB-CG2 4.5Å; A429-V432 WeakPolarHBondContact O-CB 3.3Å; A429-V432 PolarHBondContact O-N 3.36Å; A429-L433 PolarHBondContact O-N 3.46Å; A429-L433 VanDerWaalsContact O-N 3.13Å; A429-A442 HydrophobicContact CB-CB 4.5Å; A429-W445 HydrophobicContact CB-CB 3.79Å; A429-W445 HydrophobicContact CB-CD2 4.03Å; A429-W445 HydrophobicContact CB-CG 3.6Å
430	V	98.4	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-37.9	-177.8	63	0	0	0	0	112.7	V432 L433 I434 W445 I479 I486 F490 Y546	V430-V432 PolarHBondContact O-N 2.91Å; V430-L433 PolarHBondContact O-N 3.09Å; V430-I434 HydrophobicContact CG2-CG2 4.41Å; V430-I434 WeakPolarHBondContact O-CG1 3.26Å; V430-I434 PolarHBondContact O-N 3.1Å; V430-W445 HydrophobicContact CB-CH2 4.33Å; V430-W445 HydrophobicContact CG1-CH2 4.28Å; V430-W445 HydrophobicContact CG1-CZ3 4.12Å; V430-I479 HydrophobicContact CB-CD1 4.22Å; V430-I486 HydrophobicContact CG2-CD1 3.91Å; V430-F490 HydrophobicContact CG1-CE1 3.88Å; V430-F490 HydrophobicContact CG1-CZ 4.42Å; V430-Y546 HydrophobicContact CG1-CD1 4.18Å
431	E	98.7	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-35.3	176.2	58.6	-87.5	-155.6	0	0	112	A429 G435 A436 F490 P548 R551	A429-E431 VanDerWaalsContact C-N 3.3Å; A429-E431 VanDerWaalsContact CB-CD 3.46Å; A429-E431 HydrophobicContact CB-CG 4.3Å; A429-E431 WeakPolarHBondContact CB-OE1 3.32Å; A429-E431 WeakPolarHBondContact CB-OE2 3.24Å; A429-E431 PolarHBondContact O-N 3.23Å; E431-G435 PolarHBondContact O-N 3.31Å; E431-G435 VanDerWaalsContact O-N 3.07Å; E431-A436 HydrophobicContact CB-CB 4.12Å; E431-A436 PolarHBondContact O-N 3.45Å; E431-F490 HydrophobicContact CB-CZ 4.02Å; E431-P548 HydrophobicContact CB-CG 4.1Å; E431-P548 HydrophobicContact CG-CG 4.09Å; E431-R551 IonicContact OE1-CZ 2.71Å; E431-R551 IonicContact OE1-NH1 3.79Å; E431-R551 PolarHBondContact OE1-NH1 2.88Å; E431-R551 IonicContact OE1-NH2 3.78Å; E431-R551 IonicContact OE2-CZ 3.08Å; E431-R551 IonicContact OE2-NH1 3.34Å; E431-R551 PolarHBondContact OE2-NH1 3.43Å; E431-R551 IonicContact OE2-NH2 2.64Å; E431-R551 PolarHBondContact OE2-NH2 3Å
432	V	98.6	Very high	98.2	Very high	13 Å²	13	20.6 Å²	20.6	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-73.7	-41.4	178	-179.3	0	0	0	0	110.4	I422 Q423 R428 A429 V430 I434 G435	I422-V432 HydrophobicContact CD1-CG2 3.84Å; I422-V432 HydrophobicContact CG1-CB 4.47Å; I422-V432 HydrophobicContact CG1-CG1 3.83Å; I422-V432 HydrophobicContact CG1-CG2 3.76Å; Q423-V432 VanDerWaalsContact OE1-CG2 3.24Å; R428-V432 HydrophobicContact CG-CB 3.93Å; R428-V432 HydrophobicContact CG-CG1 3.85Å; A429-V432 HydrophobicContact CB-CG2 4.5Å; A429-V432 WeakPolarHBondContact O-CB 3.3Å; A429-V432 PolarHBondContact O-N 3.36Å; V430-V432 PolarHBondContact O-N 2.91Å; V432-I434 PolarHBondContact O-N 3.07Å; V432-G435 PolarHBondContact O-N 2.83Å
433	L	98.5	Very high	98.3	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-46.5	177.1	-64.3	172.9	0	0	0	111.8	R428 A429 V430 G435 H475 I476 I479 F500	R428-L433 HydrophobicContact CG-CD2 3.97Å; R428-L433 HydrophobicContact CG-CG 4.22Å; A429-L433 PolarHBondContact O-N 3.46Å; A429-L433 VanDerWaalsContact O-N 3.13Å; V430-L433 PolarHBondContact O-N 3.09Å; L433-G435 VanDerWaalsContact C-N 3.27Å; L433-G435 PolarHBondContact O-N 3.2Å; L433-H475 HydrophobicContact CD1-CB 4.02Å; L433-I476 HydrophobicContact CB-CD1 4.41Å; L433-I476 HydrophobicContact CB-CG1 4.3Å; L433-I476 HydrophobicContact CD1-CG1 4.01Å; L433-I479 HydrophobicContact CD1-CD1 3.82Å; L433-F500 WeakPolarHBondContact O-CE2 3.44Å
434	I	98.2	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-80.7	-10.2	-179.2	71.8	179.9	0	0	0	112.7	V430 V432 A436 I476 F490 G494 R495 Y496 F501	V430-I434 HydrophobicContact CG2-CG2 4.41Å; V430-I434 WeakPolarHBondContact O-CG1 3.26Å; V430-I434 PolarHBondContact O-N 3.1Å; V432-I434 PolarHBondContact O-N 3.07Å; I434-A436 HydrophobicContact CD1-CB 4.03Å; I434-A436 HydrophobicContact CG1-CB 3.89Å; I434-I476 HydrophobicContact CG2-CD1 4.04Å; I434-F490 HydrophobicContact CD1-CD1 4.35Å; I434-F490 HydrophobicContact CD1-CE1 3.99Å; I434-F490 HydrophobicContact CD1-CE2 4.44Å; I434-F490 HydrophobicContact CD1-CZ 4.04Å; I434-F490 WeakPolarHBondContact CD1-O 3.42Å; I434-G494 CarbonylContact O-C 3.53Å; I434-G494 WeakPolarHBondContact O-CA 3.27Å; I434-R495 PolarHBondContact O-N 3.02Å; I434-R495 VanDerWaalsContact O-N 3.15Å; I434-Y496 PolarHBondContact O-N 3.47Å; I434-F501 HydrophobicContact CG2-CE2 3.83Å
435	G	97.9	Very high	98.4	Very high	5 Å²	5	19.2 Å²	19.2	5%	0.052	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	38.1	-176.8	0	0	0	0	0	113.2	E431 V432 L433 R495	E431-G435 PolarHBondContact O-N 3.31Å; E431-G435 VanDerWaalsContact O-N 3.07Å; V432-G435 PolarHBondContact O-N 2.83Å; L433-G435 VanDerWaalsContact C-N 3.27Å; L433-G435 PolarHBondContact O-N 3.2Å; G435-R495 WeakPolarHBondContact O-CG 3.45Å; G435-R495 PolarHBondContact O-N 3.32Å
436	A	97.3	Very high	98.4	Very high	13 Å²	13	16.8 Å²	16.8	11%	0.107	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-82.1	168.9	163.9	0	0	0	0	0	110.3	E431 I434 Y438 F490	E431-A436 HydrophobicContact CB-CB 4.12Å; E431-A436 PolarHBondContact O-N 3.45Å; I434-A436 HydrophobicContact CD1-CB 4.03Å; I434-A436 HydrophobicContact CG1-CB 3.89Å; A436-Y438 PolarHBondContact O-N 3.32Å; A436-F490 HydrophobicContact CB-CE2 4.46Å
437	E	96	Very high	98.5	Very high	166 Å²	166	14.9 Å²	14.9	78%	0.776	8%	0.081	S	C	*	.	P	Polyproline II helix	trans	-65.6	129	178.1	-172.7	171.5	-174.8	0	0	110.4
438	Y	98.3	Very high	98.5	Very high	9 Å²	9	14.7 Å²	14.7	4%	0.035	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-100.2	159.6	177.5	75.1	-98	0	0	0	111.1	I208 T210 C412 H417 T419 I422 A436	I208-Y438 HydrophobicContact CD1-CD2 4.09Å; I208-Y438 HydrophobicContact CD1-CE2 3.87Å; T210-Y438 HydrophobicContact CG2-CE2 4.3Å; C412-Y438 PolarHBondContact SG-OH 3.12Å; C412-Y438 VanDerWaalsContact SG-OH 3.33Å; H417-Y438 HydrophobicContact CB-CE1 4.42Å; H417-Y438 VanDerWaalsContact CB-OH 3.25Å; H417-Y438 WeakPolarHBondContact CB-OH 3.32Å; H417-Y438 AromaticContact CD2-CE2 3.9Å; H417-Y438 AromaticContact CD2-CZ 3.76Å; H417-Y438 AromaticContact CE1-CE1 3.89Å; H417-Y438 AromaticContact CE1-CE2 3.7Å; H417-Y438 AromaticContact CE1-CZ 3.65Å; H417-Y438 PolarHBondContact CE1-O 3.09Å; H417-Y438 VanDerWaalsContact CE1-O 3.28Å; H417-Y438 AromaticContact CG-CE1 3.96Å; H417-Y438 AromaticContact CG-CZ 3.46Å; H417-Y438 VanDerWaalsContact CG-CZ 3.46Å; H417-Y438 AromaticContact ND1-CE1 3.46Å; H417-Y438 WeakPolarHBondContact ND1-CE1 3.42Å; H417-Y438 AromaticContact ND1-CE2 3.93Å; H417-Y438 AromaticContact ND1-CZ 3.37Å; H417-Y438 AromaticContact NE2-CE2 3.69Å; H417-Y438 AromaticContact NE2-CZ 3.89Å; T419-Y438 PolarHBondContact O-OH 3.33Å; T419-Y438 VanDerWaalsContact O-OH 3.1Å; I422-Y438 HydrophobicContact CD1-CD1 3.97Å; I422-Y438 HydrophobicContact CD1-CD2 3.52Å; I422-Y438 HydrophobicContact CD1-CE1 4.14Å; I422-Y438 HydrophobicContact CD1-CE2 3.73Å; I422-Y438 HydrophobicContact CD1-CG 3.65Å; I422-Y438 HydrophobicContact CG1-CD1 4.5Å; I422-Y438 HydrophobicContact CG2-CE1 4.42Å; A436-Y438 PolarHBondContact O-N 3.32Å
439	G	98.5	Very high	98.5	Very high	13 Å²	13	13.7 Å²	13.7	13%	0.134	8%	0.077	C	C	.	.			trans	-153.8	-163.7	177.2	0	0	0	0	0	111.9	P441 A442	G439-P441 VanDerWaalsContact O-N 3.13Å; G439-A442 VanDerWaalsContact O-CB 3.32Å; G439-A442 WeakPolarHBondContact O-CB 3.23Å; G439-A442 PolarHBondContact O-N 2.97Å
440	P	98.8	Very high	98.5	Very high	32 Å²	32	13.7 Å²	13.7	21%	0.208	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-35.5	171.8	-27.5	35.2	0	0	0	115.8	H202 I208 V414 A442 D443	H202-P440 HydrophobicContact CB-CB 4.18Å; H202-P440 PolarHBondContact CE1-O 3.19Å; I208-P440 HydrophobicContact CG1-CG 4.23Å; V414-P440 HydrophobicContact CG2-CG 3.79Å; P440-A442 PolarHBondContact O-N 2.84Å; P440-A442 VanDerWaalsContact O-N 3.1Å; P440-D443 PolarHBondContact O-N 3.49Å; P440-D443 VanDerWaalsContact O-N 3.11Å
441	P	98.9	Very high	98.5	Very high	27 Å²	27	13.7 Å²	13.7	18%	0.175	8%	0.077	C	C	.	.	H	α-helix	trans	-58.7	-20.4	176.1	-27.5	36.9	0	0	0	115.4	G439 D443 I444 W445 P548 R551	G439-P441 VanDerWaalsContact O-N 3.13Å; P441-D443 VanDerWaalsContact C-N 3.32Å; P441-D443 PolarHBondContact O-N 3.27Å; P441-I444 WeakPolarHBondContact O-CB 3.49Å; P441-I444 PolarHBondContact O-N 3.44Å; P441-W445 PolarHBondContact O-N 3.03Å; P441-W445 VanDerWaalsContact O-N 3.15Å; P441-P548 HydrophobicContact CB-CB 3.98Å; P441-P548 HydrophobicContact CG-CB 4.08Å; P441-P548 VanDerWaalsContact CG-O 3.24Å; P441-P548 WeakPolarHBondContact CG-O 3.38Å; P441-R551 HydrophobicContact CB-CB 4.26Å; P441-R551 WeakPolarHBondContact O-CD 3.06Å; P441-R551 PolarHBondContact O-NH1 2.73Å
442	A	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.7	-38.6	175.4	0	0	0	0	0	111.5	Q423 A429 G439 P440 I444 W445 S446	Q423-A442 PolarHBondContact NE2-O 2.92Å; A429-A442 HydrophobicContact CB-CB 4.5Å; G439-A442 VanDerWaalsContact O-CB 3.32Å; G439-A442 WeakPolarHBondContact O-CB 3.23Å; G439-A442 PolarHBondContact O-N 2.97Å; P440-A442 PolarHBondContact O-N 2.84Å; P440-A442 VanDerWaalsContact O-N 3.1Å; A442-I444 VanDerWaalsContact C-N 3.28Å; A442-I444 PolarHBondContact O-N 3.4Å; A442-W445 PolarHBondContact O-N 2.96Å; A442-S446 PolarHBondContact O-N 3.26Å; A442-S446 VanDerWaalsContact O-N 3.13Å; A442-S446 PolarHBondContact O-OG 3.31Å
443	D	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.3	-32.4	175.9	-68.8	-26.3	0	0	0	111.8	L198 H202 H209 T210 I212 P440 P441 S446 T447	L198-D443 HydrophobicContact CD1-CB 4.05Å; L198-D443 HydrophobicContact CD2-CB 3.87Å; H202-D443 IonicContact CD2-OD2 2.71Å; H202-D443 IonicContact CE1-OD2 3.86Å; H202-D443 IonicContact NE2-OD2 2.77Å; H202-D443 PolarHBondContact NE2-OD2 3Å; H209-D443 PolarHBondContact N-OD1 2.87Å; H209-D443 PolarHBondContact N-OD2 2.65Å; T210-D443 PolarHBondContact N-OD1 2.7Å; I212-D443 HydrophobicContact CG1-CB 4.25Å; P440-D443 PolarHBondContact O-N 3.49Å; P440-D443 VanDerWaalsContact O-N 3.11Å; P441-D443 VanDerWaalsContact C-N 3.32Å; P441-D443 PolarHBondContact O-N 3.27Å; D443-S446 PolarHBondContact O-N 2.98Å; D443-T447 WeakPolarHBondContact O-CB 3.42Å; D443-T447 PolarHBondContact O-N 3.28Å; D443-T447 PolarHBondContact O-OG1 3.4Å
444	I	98.9	Very high	98.5	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-67.5	-42.5	177.4	-56.5	-58.3	0	0	0	110.6	L195 L198 P441 A442 T447 A448 M543 R551 A552 A554	L195-I444 HydrophobicContact CD2-CD1 4.24Å; L198-I444 HydrophobicContact CD1-CD1 4.26Å; P441-I444 WeakPolarHBondContact O-CB 3.49Å; P441-I444 PolarHBondContact O-N 3.44Å; A442-I444 VanDerWaalsContact C-N 3.28Å; A442-I444 PolarHBondContact O-N 3.4Å; I444-T447 WeakPolarHBondContact O-CB 3.11Å; I444-T447 PolarHBondContact O-N 3.01Å; I444-A448 PolarHBondContact O-N 3.19Å; I444-M543 HydrophobicContact CG2-CB 3.7Å; I444-M543 HydrophobicContact CG2-CE 3.93Å; I444-M543 HydrophobicContact CG2-CG 3.87Å; I444-R551 HydrophobicContact CG2-CG 4.38Å; I444-A552 WeakPolarHBondContact CG2-O 3.31Å; I444-A554 HydrophobicContact CD1-CB 3.89Å
445	W	98.9	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59	-48.6	173.6	-178.9	-76	0	0	0	111.8	R428 A429 V430 P441 A442 T447 A448 C449 F461 I479 L483 M544	R428-W445 PolarHBondContact O-NE1 2.87Å; A429-W445 HydrophobicContact CB-CB 3.79Å; A429-W445 HydrophobicContact CB-CD2 4.03Å; A429-W445 HydrophobicContact CB-CG 3.6Å; V430-W445 HydrophobicContact CB-CH2 4.33Å; V430-W445 HydrophobicContact CG1-CH2 4.28Å; V430-W445 HydrophobicContact CG1-CZ3 4.12Å; P441-W445 PolarHBondContact O-N 3.03Å; P441-W445 VanDerWaalsContact O-N 3.15Å; A442-W445 PolarHBondContact O-N 2.96Å; W445-T447 PolarHBondContact O-N 3.15Å; W445-A448 WeakPolarHBondContact O-CB 3.27Å; W445-A448 PolarHBondContact O-N 2.97Å; W445-A448 VanDerWaalsContact O-N 3.12Å; W445-C449 PolarHBondContact O-N 3.27Å; W445-C449 VanDerWaalsContact O-N 3.09Å; W445-C449 PolarHBondContact O-SG 3.09Å; W445-F461 AromaticContact CZ2-CE2 3.71Å; W445-F461 HydrophobicContact CZ2-CE2 3.71Å; W445-F461 HydrophobicContact CZ2-CZ 4.24Å; W445-I479 HydrophobicContact CH2-CD1 4.15Å; W445-I479 HydrophobicContact CH2-CG1 4.28Å; W445-I479 HydrophobicContact CH2-CG2 3.98Å; W445-I479 HydrophobicContact CZ2-CD1 3.7Å; W445-I479 HydrophobicContact CZ2-CG1 3.92Å; W445-I479 HydrophobicContact CZ2-CG2 4.47Å; W445-L483 HydrophobicContact CH2-CD1 4.03Å; W445-L483 HydrophobicContact CZ3-CD1 4.42Å; W445-M544 HydrophobicContact CE3-CB 4.31Å; W445-M544 HydrophobicContact CH2-CE 4.39Å; W445-M544 HydrophobicContact CZ2-CE 4.22Å; W445-M544 HydrophobicContact CZ3-CB 4.12Å; W445-M544 WeakPolarHBondContact CZ3-O 3.47Å
446	S	98.9	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.7	-37.6	176.4	-62.8	0	0	0	0	112.2	I212 Q423 Y427 A442 D443 C449 M450	I212-S446 WeakPolarHBondContact O-CB 3.24Å; Q423-S446 PolarHBondContact NE2-OG 3.45Å; Y427-S446 PolarHBondContact O-OG 3.25Å; A442-S446 PolarHBondContact O-N 3.26Å; A442-S446 VanDerWaalsContact O-N 3.13Å; A442-S446 PolarHBondContact O-OG 3.31Å; D443-S446 PolarHBondContact O-N 2.98Å; S446-C449 PolarHBondContact O-N 3.31Å; S446-M450 WeakPolarHBondContact O-CB 3.3Å; S446-M450 PolarHBondContact O-N 3.12Å
447	T	98.9	Very high	98.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-36.8	176.4	-55.7	0	0	0	0	111.9	V191 V194 L195 L198 D443 I444 W445 M450 A451 M543	V191-T447 HydrophobicContact CG1-CG2 4.45Å; V194-T447 HydrophobicContact CG1-CG2 4.04Å; L195-T447 HydrophobicContact CD2-CG2 4.21Å; L198-T447 WeakPolarHBondContact CD1-OG1 3.48Å; D443-T447 WeakPolarHBondContact O-CB 3.42Å; D443-T447 PolarHBondContact O-N 3.28Å; D443-T447 PolarHBondContact O-OG1 3.4Å; I444-T447 WeakPolarHBondContact O-CB 3.11Å; I444-T447 PolarHBondContact O-N 3.01Å; W445-T447 PolarHBondContact O-N 3.15Å; T447-M450 HydrophobicContact CG2-CE 4.4Å; T447-M450 PolarHBondContact O-N 3.5Å; T447-A451 VanDerWaalsContact O-CB 3.27Å; T447-A451 WeakPolarHBondContact O-CB 3.49Å; T447-A451 PolarHBondContact O-N 2.87Å; T447-M543 HydrophobicContact CG2-CE 3.81Å
448	A	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-46.4	175.1	0	0	0	0	0	111.7	I444 W445 M450 A451 F452 L540 M543 M544	I444-A448 PolarHBondContact O-N 3.19Å; W445-A448 WeakPolarHBondContact O-CB 3.27Å; W445-A448 PolarHBondContact O-N 2.97Å; W445-A448 VanDerWaalsContact O-N 3.12Å; A448-M450 PolarHBondContact O-N 3.06Å; A448-A451 PolarHBondContact O-N 3.5Å; A448-F452 PolarHBondContact O-N 3.36Å; A448-L540 HydrophobicContact CB-CD2 4.14Å; A448-M543 HydrophobicContact CB-CB 3.75Å; A448-M543 HydrophobicContact CB-CE 4.14Å; A448-M543 HydrophobicContact CB-SD 4.44Å; A448-M544 HydrophobicContact CB-CG 3.72Å; A448-M544 HydrophobicContact CB-SD 4.25Å
449	C	98.9	Very high	98.7	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-59.7	-45.7	176	-60.5	0	0	0	0	111.3	Y427 W445 S446 F452 E453	Y427-C449 HydrophobicContact CD1-CB 3.86Å; W445-C449 PolarHBondContact O-N 3.27Å; W445-C449 VanDerWaalsContact O-N 3.09Å; W445-C449 PolarHBondContact O-SG 3.09Å; S446-C449 PolarHBondContact O-N 3.31Å; C449-F452 PolarHBondContact O-N 3.47Å; C449-E453 PolarHBondContact O-N 3.4Å
450	M	98.9	Very high	98.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.1	-39.1	176.6	-179.3	-178.8	67.1	0	0	112.4	V194 I212 K213 P214 I217 Y427 S446 T447 A448 F452 E453 L454	V194-M450 HydrophobicContact CB-CE 4.46Å; V194-M450 HydrophobicContact CG1-CE 4.03Å; V194-M450 HydrophobicContact CG2-CE 4Å; I212-M450 HydrophobicContact CG2-CE 3.87Å; I212-M450 HydrophobicContact CG2-SD 4.19Å; K213-M450 VanDerWaalsContact C-SD 3.55Å; P214-M450 HydrophobicContact CG-CG 3.97Å; P214-M450 HydrophobicContact CG-SD 4.49Å; I217-M450 HydrophobicContact CG1-CE 4.11Å; I217-M450 HydrophobicContact CG1-SD 3.74Å; Y427-M450 HydrophobicContact CD1-CB 4.36Å; Y427-M450 HydrophobicContact CE1-CB 4.22Å; S446-M450 WeakPolarHBondContact O-CB 3.3Å; S446-M450 PolarHBondContact O-N 3.12Å; T447-M450 HydrophobicContact CG2-CE 4.4Å; T447-M450 PolarHBondContact O-N 3.5Å; A448-M450 PolarHBondContact O-N 3.06Å; M450-F452 VanDerWaalsContact C-N 3.33Å; M450-F452 PolarHBondContact O-N 3.36Å; M450-E453 PolarHBondContact O-N 3.43Å; M450-L454 HydrophobicContact CG-CD1 3.95Å; M450-L454 HydrophobicContact CG-CG 4.23Å; M450-L454 WeakPolarHBondContact O-CB 3.23Å; M450-L454 VanDerWaalsContact O-CG 3.23Å; M450-L454 WeakPolarHBondContact O-CG 3.17Å; M450-L454 PolarHBondContact O-N 3.34Å
451	A	98.9	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.2	-41.5	178	0	0	0	0	0	111.4	V191 T447 A448 A455 F536 L540	V191-A451 HydrophobicContact CG2-CB 3.72Å; T447-A451 VanDerWaalsContact O-CB 3.27Å; T447-A451 WeakPolarHBondContact O-CB 3.49Å; T447-A451 PolarHBondContact O-N 2.87Å; A448-A451 PolarHBondContact O-N 3.5Å; A451-A455 WeakPolarHBondContact O-CB 3.39Å; A451-A455 PolarHBondContact O-N 3.29Å; A451-F536 HydrophobicContact CB-CE2 4.47Å; A451-F536 HydrophobicContact CB-CZ 4.4Å; A451-L540 HydrophobicContact CB-CD2 3.91Å
452	F	98.9	Very high	98.7	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-52.6	172.9	179.9	-89.7	0	0	0	111.1	A448 C449 M450 L454 A455 T456 D458 L460 L518 L522 Y526 L540	A448-F452 PolarHBondContact O-N 3.36Å; C449-F452 PolarHBondContact O-N 3.47Å; M450-F452 VanDerWaalsContact C-N 3.33Å; M450-F452 PolarHBondContact O-N 3.36Å; F452-L454 VanDerWaalsContact C-N 3.33Å; F452-L454 PolarHBondContact O-N 3.31Å; F452-A455 WeakPolarHBondContact O-CA 3.33Å; F452-A455 PolarHBondContact O-N 3.08Å; F452-T456 HydrophobicContact CD1-CG2 4.4Å; F452-T456 HydrophobicContact CD2-CG2 4.19Å; F452-T456 HydrophobicContact CE1-CG2 4.14Å; F452-T456 WeakPolarHBondContact CE1-OG1 3.42Å; F452-T456 HydrophobicContact CE2-CG2 3.91Å; F452-T456 HydrophobicContact CG-CG2 4.44Å; F452-T456 HydrophobicContact CZ-CG2 3.9Å; F452-T456 PolarHBondContact O-N 3.46Å; F452-T456 PolarHBondContact O-OG1 3.11Å; F452-D458 WeakPolarHBondContact CD1-O 3.32Å; F452-L460 HydrophobicContact CB-CB 4.25Å; F452-L460 HydrophobicContact CB-CD1 4.46Å; F452-L460 HydrophobicContact CB-CD2 4.34Å; F452-L460 HydrophobicContact CD1-CB 3.71Å; F452-L460 HydrophobicContact CD1-CD1 3.87Å; F452-L460 HydrophobicContact CD1-CG 4.35Å; F452-L460 HydrophobicContact CD2-CD1 3.81Å; F452-L460 HydrophobicContact CE1-CB 4.27Å; F452-L460 HydrophobicContact CE1-CD1 3.96Å; F452-L460 HydrophobicContact CE2-CD1 3.89Å; F452-L460 HydrophobicContact CG-CB 4.07Å; F452-L460 HydrophobicContact CG-CD1 3.79Å; F452-L460 HydrophobicContact CG-CG 4.35Å; F452-L460 HydrophobicContact CZ-CD1 3.95Å; F452-L518 HydrophobicContact CD2-CD1 3.9Å; F452-L518 HydrophobicContact CE2-CD1 3.85Å; F452-L522 HydrophobicContact CD2-CD2 4.46Å; F452-L522 HydrophobicContact CE2-CD2 4.04Å; F452-Y526 HydrophobicContact CE2-CE2 4.36Å; F452-Y526 AromaticContact CZ-CE2 3.69Å; F452-Y526 HydrophobicContact CZ-CE2 3.69Å; F452-L540 HydrophobicContact CB-CD1 4.2Å
453	E	98.8	Very high	98.6	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-59.5	-41.3	179.9	-175.1	-166.8	165.9	0	0	112.8	I174 P214 Y427 C449 M450 A455 T456 G457 D458 Y459	I174-E453 HydrophobicContact CD1-CG 4.16Å; I174-E453 WeakPolarHBondContact CD1-OE1 3.2Å; P214-E453 WeakPolarHBondContact CG-OE2 3.31Å; Y427-E453 WeakPolarHBondContact CE1-OE2 3.31Å; Y427-E453 VanDerWaalsContact CZ-OE2 3.25Å; Y427-E453 PolarHBondContact OH-OE1 2.61Å; Y427-E453 PolarHBondContact OH-OE2 2.95Å; C449-E453 PolarHBondContact O-N 3.4Å; M450-E453 PolarHBondContact O-N 3.43Å; E453-A455 PolarHBondContact O-N 2.77Å; E453-T456 PolarHBondContact O-N 3.24Å; E453-G457 VanDerWaalsContact O-CA 3.22Å; E453-G457 WeakPolarHBondContact O-CA 3.48Å; E453-G457 PolarHBondContact O-N 3.29Å; E453-D458 WeakPolarHBondContact CA-O 3.43Å; E453-D458 WeakPolarHBondContact CB-O 3.45Å; E453-Y459 HydrophobicContact CG-CD1 4.35Å
454	L	98.8	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-29.4	175.5	-73.1	171.6	0	0	0	112.2	L170 I174 G181 L182 V187 I190 M450 F452	L170-L454 HydrophobicContact CB-CD2 4.16Å; L170-L454 HydrophobicContact CD1-CD1 4.01Å; L170-L454 HydrophobicContact CD1-CD2 4Å; I174-L454 HydrophobicContact CD1-CD2 3.91Å; I174-L454 HydrophobicContact CG1-CD2 4.08Å; G181-L454 CarbonylContact C-O 3.2Å; L182-L454 WeakPolarHBondContact CB-O 3.41Å; L182-L454 HydrophobicContact CD1-CD2 4.41Å; L182-L454 HydrophobicContact CD2-CD2 4.44Å; L182-L454 PolarHBondContact N-O 3.4Å; V187-L454 HydrophobicContact CG1-CB 4.05Å; V187-L454 HydrophobicContact CG2-CB 4.15Å; I190-L454 HydrophobicContact CG2-CD1 4Å; M450-L454 HydrophobicContact CG-CD1 3.95Å; M450-L454 HydrophobicContact CG-CG 4.23Å; M450-L454 WeakPolarHBondContact O-CB 3.23Å; M450-L454 VanDerWaalsContact O-CG 3.23Å; M450-L454 WeakPolarHBondContact O-CG 3.17Å; M450-L454 PolarHBondContact O-N 3.34Å; F452-L454 VanDerWaalsContact C-N 3.33Å; F452-L454 PolarHBondContact O-N 3.31Å
455	A	98.7	Very high	98.3	Very high	9 Å²	9	23.3 Å²	23.3	7%	0.074	12%	0.121	C	C	.	.	H	α-helix	trans	-88.6	-30.2	-177.6	0	0	0	0	0	113.4	V187 A451 F452 E453 W528 F536	V187-A455 HydrophobicContact CG1-CB 4.41Å; V187-A455 HydrophobicContact CG2-CB 4.34Å; A451-A455 WeakPolarHBondContact O-CB 3.39Å; A451-A455 PolarHBondContact O-N 3.29Å; F452-A455 WeakPolarHBondContact O-CA 3.33Å; F452-A455 PolarHBondContact O-N 3.08Å; E453-A455 PolarHBondContact O-N 2.77Å; A455-W528 HydrophobicContact CB-CH2 3.82Å; A455-W528 HydrophobicContact CB-CZ2 3.79Å; A455-F536 HydrophobicContact CB-CE1 3.95Å; A455-F536 HydrophobicContact CB-CZ 3.92Å
456	T	98.6	Very high	98.1	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	14%	0.135	C	C	.	.	H	α-helix	trans	-111.3	-23.6	-173.5	63.9	0	0	0	0	113.7	F452 E453 D458 L522 Y526	F452-T456 HydrophobicContact CD1-CG2 4.4Å; F452-T456 HydrophobicContact CD2-CG2 4.19Å; F452-T456 HydrophobicContact CE1-CG2 4.14Å; F452-T456 WeakPolarHBondContact CE1-OG1 3.42Å; F452-T456 HydrophobicContact CE2-CG2 3.91Å; F452-T456 HydrophobicContact CG-CG2 4.44Å; F452-T456 HydrophobicContact CZ-CG2 3.9Å; F452-T456 PolarHBondContact O-N 3.46Å; F452-T456 PolarHBondContact O-OG1 3.11Å; E453-T456 PolarHBondContact O-N 3.24Å; T456-D458 VanDerWaalsContact C-N 3.29Å; T456-D458 PolarHBondContact OG1-N 3.42Å; T456-D458 PolarHBondContact OG1-O 2.89Å; T456-L522 HydrophobicContact CG2-CD2 4.18Å; T456-Y526 HydrophobicContact CG2-CD1 4.11Å; T456-Y526 HydrophobicContact CG2-CD2 4.19Å; T456-Y526 HydrophobicContact CG2-CE1 4.08Å; T456-Y526 HydrophobicContact CG2-CE2 4.14Å; T456-Y526 HydrophobicContact CG2-CG 4.16Å
457	G	97.6	Very high	97.8	Very high	4 Å²	4	33.9 Å²	33.9	4%	0.041	18%	0.178	C	C	.	.	S	Bend	trans	85.7	-8.5	-171.7	0	0	0	0	0	114.9	E453	E453-G457 VanDerWaalsContact O-CA 3.22Å; E453-G457 WeakPolarHBondContact O-CA 3.48Å; E453-G457 PolarHBondContact O-N 3.29Å
458	D	98.3	Very high	97.6	Very high	58 Å²	58	40 Å²	40	31%	0.31	21%	0.21	S	C	.	.	S	Bend	trans	-108.9	150	-177.1	-74.5	-17.5	0	0	0	111.7	F452 E453 T456 K525 Y526	F452-D458 WeakPolarHBondContact CD1-O 3.32Å; E453-D458 WeakPolarHBondContact CA-O 3.43Å; E453-D458 WeakPolarHBondContact CB-O 3.45Å; T456-D458 VanDerWaalsContact C-N 3.29Å; T456-D458 PolarHBondContact OG1-N 3.42Å; T456-D458 PolarHBondContact OG1-O 2.89Å; D458-K525 IonicContact OD2-NZ 3.35Å; D458-K525 PolarHBondContact OD2-NZ 3.41Å; D458-Y526 VanDerWaalsContact CB-OH 3.27Å; D458-Y526 WeakPolarHBondContact CB-OH 3.35Å; D458-Y526 WeakPolarHBondContact OD2-CE1 3.42Å; D458-Y526 PolarHBondContact OD2-OH 2.98Å
459	Y	98.6	Very high	97.4	Very high	81 Å²	81	43.7 Å²	43.7	32%	0.318	23%	0.225	S	C	.	.			trans	-62.6	140	166.9	-62.4	-56.9	0	0	0	111.3	Q426 Y427 E453 F461 E462	Q426-Y459 HydrophobicContact CB-CD1 3.77Å; Q426-Y459 HydrophobicContact CB-CE1 4.21Å; Q426-Y459 HydrophobicContact CB-CG 4.06Å; Q426-Y459 HydrophobicContact CG-CD1 3.78Å; Q426-Y459 HydrophobicContact CG-CD2 3.89Å; Q426-Y459 HydrophobicContact CG-CE1 4.07Å; Q426-Y459 HydrophobicContact CG-CE2 4.17Å; Q426-Y459 HydrophobicContact CG-CG 3.69Å; Y427-Y459 WeakPolarHBondContact OH-CE1 3.27Å; E453-Y459 HydrophobicContact CG-CD1 4.35Å; Y459-F461 VanDerWaalsContact C-N 3.32Å; Y459-E462 HydrophobicContact CD2-CG 4.33Å
460	L	98.4	Very high	97.4	Very high	25 Å²	25	45.9 Å²	45.9	13%	0.131	24%	0.24	C	C	.	.	S	Bend	trans	-67	-37.8	172.7	-175	55.4	0	0	0	111.7	F452 L482 L518 M544	F452-L460 HydrophobicContact CB-CB 4.25Å; F452-L460 HydrophobicContact CB-CD1 4.46Å; F452-L460 HydrophobicContact CB-CD2 4.34Å; F452-L460 HydrophobicContact CD1-CB 3.71Å; F452-L460 HydrophobicContact CD1-CD1 3.87Å; F452-L460 HydrophobicContact CD1-CG 4.35Å; F452-L460 HydrophobicContact CD2-CD1 3.81Å; F452-L460 HydrophobicContact CE1-CB 4.27Å; F452-L460 HydrophobicContact CE1-CD1 3.96Å; F452-L460 HydrophobicContact CE2-CD1 3.89Å; F452-L460 HydrophobicContact CG-CB 4.07Å; F452-L460 HydrophobicContact CG-CD1 3.79Å; F452-L460 HydrophobicContact CG-CG 4.35Å; F452-L460 HydrophobicContact CZ-CD1 3.95Å; L460-L482 HydrophobicContact CD1-CD2 3.73Å; L460-L482 HydrophobicContact CD2-CD2 4.24Å; L460-L482 HydrophobicContact CG-CD2 4.1Å; L460-L518 HydrophobicContact CD1-CD1 4.32Å; L460-M544 HydrophobicContact CD2-CE 3.39Å; L460-M544 HydrophobicContact CD2-SD 3.8Å; L460-M544 HydrophobicContact CG-CE 4.44Å
461	F	98.5	Very high	97.3	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	26%	0.262	C	S	.	.			trans	-132	117.7	176.5	-54	-59.5	0	0	0	110.5	Q426 W445 Y459 P463 H475 H478 I479 L482 M544	Q426-F461 WeakPolarHBondContact CG-O 3.37Å; W445-F461 AromaticContact CZ2-CE2 3.71Å; W445-F461 HydrophobicContact CZ2-CE2 3.71Å; W445-F461 HydrophobicContact CZ2-CZ 4.24Å; Y459-F461 VanDerWaalsContact C-N 3.32Å; F461-P463 WeakPolarHBondContact O-CD 3.21Å; F461-H475 VanDerWaalsContact CB-NE2 3.3Å; F461-H475 WeakPolarHBondContact CB-NE2 3.46Å; F461-H475 AromaticContact CD2-NE2 3.8Å; F461-H475 AromaticContact CG-NE2 3.74Å; F461-H478 HydrophobicContact CD1-CB 3.78Å; F461-H478 HydrophobicContact CE1-CB 4.38Å; F461-I479 HydrophobicContact CD1-CG1 4.28Å; F461-I479 HydrophobicContact CD2-CG1 4.36Å; F461-I479 HydrophobicContact CE1-CB 4.46Å; F461-I479 HydrophobicContact CE1-CG1 3.87Å; F461-I479 HydrophobicContact CE2-CG1 3.96Å; F461-I479 HydrophobicContact CG-CG1 4.49Å; F461-I479 HydrophobicContact CZ-CB 4.44Å; F461-I479 HydrophobicContact CZ-CG1 3.68Å; F461-L482 HydrophobicContact CE1-CB 4.24Å; F461-L482 HydrophobicContact CE1-CD2 3.71Å; F461-L482 HydrophobicContact CZ-CD2 3.72Å; F461-M544 HydrophobicContact CE2-CE 3.47Å; F461-M544 VanDerWaalsContact CE2-CE 3.47Å; F461-M544 HydrophobicContact CZ-CE 3.43Å; F461-M544 VanDerWaalsContact CZ-CE 3.43Å
462	E	97.4	Very high	97.3	Very high	100 Å²	100	53.9 Å²	53.9	47%	0.467	27%	0.274	S	S	.	.			trans	-124.3	77.4	176.8	-167.3	173.9	-144.3	0	0	110.7	Y459 H464 H478	Y459-E462 HydrophobicContact CD2-CG 4.33Å; E462-H464 PolarHBondContact O-CE1 3.35Å; E462-H464 PolarHBondContact O-ND1 3.33Å; E462-H478 PolarHBondContact O-CE1 3.03Å
463	P	97.5	Very high	97.2	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.058	27%	0.274	C	S	.	.			trans	-78.8	148.7	-172.4	33.1	-38.8	0	0	0	113.5	R425 F461 R471 D474 H475	R425-P463 HydrophobicContact CG-CG 4.21Å; F461-P463 WeakPolarHBondContact O-CD 3.21Å; P463-R471 HydrophobicContact CB-CG 4.01Å; P463-R471 WeakPolarHBondContact CB-O 3.43Å; P463-R471 HydrophobicContact CG-CG 4.02Å; P463-R471 WeakPolarHBondContact O-CG 3.36Å; P463-D474 VanDerWaalsContact CA-OD2 3.29Å; P463-D474 WeakPolarHBondContact CA-OD2 3.47Å; P463-D474 HydrophobicContact CB-CB 4.3Å; P463-H475 HydrophobicContact CB-CB 3.61Å; P463-H475 HydrophobicContact CG-CB 3.72Å
464	H	96.7	Very high	97.2	Very high	108 Å²	108	54.4 Å²	54.4	50%	0.5	28%	0.277	S	S	.	.			trans	-125.1	155.3	179.2	-60.7	86.1	0	0	0	111.2	E462 D474	E462-H464 PolarHBondContact O-CE1 3.35Å; E462-H464 PolarHBondContact O-ND1 3.33Å; H464-D474 PolarHBondContact N-OD2 3.24Å; H464-D474 WeakPolarHBondContact O-CB 3.46Å
465	S	95	Very high	97.2	Very high	74 Å²	74	54.4 Å²	54.4	52%	0.517	28%	0.277	S	S	.	.			trans	-85.4	135.4	170.3	50.5	0	0	0	0	109.6
466	G	93.9	Very high	97.2	Very high	29 Å²	29	54 Å²	54	30%	0.299	27%	0.274	S	S	.	.			trans	-98.5	-172.6	171.3	0	0	0	0	0	112.4	Y469	G466-Y469 PolarHBondContact N-O 3.49Å; G466-Y469 VanDerWaalsContact N-O 3.08Å
467	E	93.3	Very high	97.2	Very high	194 Å²	194	53.7 Å²	53.7	91%	0.907	27%	0.272	S	S	*	.	S	Bend	trans	-66.2	-43.2	172	-65.7	-174.1	167.2	0	0	111.4
468	D	94.6	Very high	97.2	Very high	127 Å²	127	55.8 Å²	55.8	68%	0.679	28%	0.28	S	S	*	.	S	Bend	trans	-109.6	-2.5	-171.3	-65.3	-40	0	0	0	114.5	H509	D468-H509 WeakPolarHBondContact O-CB 3.38Å; D468-H509 PolarHBondContact O-CD2 2.91Å; D468-H509 VanDerWaalsContact O-CG 3.23Å
469	Y	95.9	Very high	97.3	Very high	78 Å²	78	53 Å²	53	31%	0.306	27%	0.266	S	S	.	.	S	Bend	trans	-137	147	-177.1	57.4	-98.3	0	0	0	112.4	G466 D474 I510	G466-Y469 PolarHBondContact N-O 3.49Å; G466-Y469 VanDerWaalsContact N-O 3.08Å; Y469-D474 HydrophobicContact CD2-CB 3.88Å; Y469-D474 HydrophobicContact CE2-CB 3.82Å; Y469-I510 HydrophobicContact CD1-CD1 4.2Å; Y469-I510 HydrophobicContact CD1-CG1 3.83Å; Y469-I510 HydrophobicContact CD2-CD1 3.87Å; Y469-I510 HydrophobicContact CD2-CG1 4.38Å; Y469-I510 HydrophobicContact CE1-CG1 4.38Å; Y469-I510 HydrophobicContact CE2-CD1 4.28Å; Y469-I510 HydrophobicContact CG-CD1 3.82Å; Y469-I510 HydrophobicContact CG-CG1 3.83Å
470	S	97.4	Very high	97.2	Very high	48 Å²	48	49.4 Å²	49.4	34%	0.336	25%	0.252	S	S	.	.			trans	-77	160.7	177.2	74.4	0	0	0	0	111.5	D472 E473 D474	S470-D472 PolarHBondContact O-N 3.22Å; S470-D472 PolarHBondContact OG-N 2.9Å; S470-E473 PolarHBondContact O-N 2.62Å; S470-E473 VanDerWaalsContact O-N 3.16Å; S470-E473 PolarHBondContact OG-N 3.41Å; S470-E473 VanDerWaalsContact OG-N 3.11Å; S470-D474 PolarHBondContact O-N 3.43Å
471	R	97.7	Very high	97.2	Very high	122 Å²	122	50.3 Å²	50.3	46%	0.46	26%	0.256	S	S	.	.	H	α-helix	trans	-60.5	-30.1	171.6	-169.1	-177.2	-61.2	134.4	3.2	112.5	P463 H475	P463-R471 HydrophobicContact CB-CG 4.01Å; P463-R471 WeakPolarHBondContact CB-O 3.43Å; P463-R471 HydrophobicContact CG-CG 4.02Å; P463-R471 WeakPolarHBondContact O-CG 3.36Å; R471-H475 WeakPolarHBondContact O-CB 3.23Å; R471-H475 PolarHBondContact O-N 3.33Å; R471-H475 VanDerWaalsContact O-N 3.09Å
472	D	98.1	Very high	97.2	Very high	46 Å²	46	51.2 Å²	51.2	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-70	-39.2	176.1	-68.6	-42.1	0	0	0	111.2	R425 S470 H475 I476 F500	R425-D472 IonicContact CZ-OD1 3.53Å; R425-D472 VanDerWaalsContact CZ-OD1 3.24Å; R425-D472 IonicContact NH1-OD1 3.4Å; R425-D472 PolarHBondContact NH1-OD1 3.41Å; R425-D472 IonicContact NH2-OD1 3.54Å; R425-D472 PolarHBondContact NH2-OD1 2.92Å; S470-D472 PolarHBondContact O-N 3.22Å; S470-D472 PolarHBondContact OG-N 2.9Å; D472-H475 WeakPolarHBondContact O-CB 3.38Å; D472-H475 PolarHBondContact O-N 3.3Å; D472-I476 WeakPolarHBondContact O-CG1 3.22Å; D472-I476 PolarHBondContact O-N 3.36Å; D472-F500 HydrophobicContact CB-CE1 3.73Å; D472-F500 HydrophobicContact CB-CZ 3.63Å
473	E	98.1	Very high	97.2	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-42.2	177.4	-165.7	173.9	174.8	0	0	112.3	S470 H475 I476 A477 F500 L507 R508 H509 I510	S470-E473 PolarHBondContact O-N 2.62Å; S470-E473 VanDerWaalsContact O-N 3.16Å; S470-E473 PolarHBondContact OG-N 3.41Å; S470-E473 VanDerWaalsContact OG-N 3.11Å; E473-H475 VanDerWaalsContact C-N 3.27Å; E473-H475 PolarHBondContact O-N 2.98Å; E473-I476 PolarHBondContact O-N 2.99Å; E473-A477 PolarHBondContact O-N 3.45Å; E473-F500 HydrophobicContact CB-CD1 3.87Å; E473-F500 HydrophobicContact CG-CB 4.4Å; E473-F500 HydrophobicContact CG-CD1 4.31Å; E473-L507 HydrophobicContact CG-CD2 3.93Å; E473-R508 PolarHBondContact OE1-N 3.39Å; E473-H509 VanDerWaalsContact CD-ND1 3.34Å; E473-H509 WeakPolarHBondContact OE1-CB 3.45Å; E473-H509 IonicContact OE1-CG 3.69Å; E473-H509 PolarHBondContact OE1-N 3.22Å; E473-H509 IonicContact OE1-ND1 2.6Å; E473-H509 PolarHBondContact OE1-ND1 3.08Å; E473-H509 IonicContact OE2-CE1 3.74Å; E473-H509 IonicContact OE2-CG 2.87Å; E473-H509 IonicContact OE2-ND1 3.73Å; E473-H509 PolarHBondContact OE2-ND1 2.95Å; E473-I510 HydrophobicContact CG-CD1 4.26Å
474	D	98.4	Very high	97.2	Very high	17 Å²	17	49 Å²	49	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-37.3	173.5	-168.1	59.3	0	0	0	111.8	P463 H464 Y469 S470 I476 A477 H478 I510	P463-D474 VanDerWaalsContact CA-OD2 3.29Å; P463-D474 WeakPolarHBondContact CA-OD2 3.47Å; P463-D474 HydrophobicContact CB-CB 4.3Å; H464-D474 PolarHBondContact N-OD2 3.24Å; H464-D474 WeakPolarHBondContact O-CB 3.46Å; Y469-D474 HydrophobicContact CD2-CB 3.88Å; Y469-D474 HydrophobicContact CE2-CB 3.82Å; S470-D474 PolarHBondContact O-N 3.43Å; D474-I476 PolarHBondContact O-N 2.99Å; D474-A477 WeakPolarHBondContact O-CB 3.39Å; D474-A477 PolarHBondContact O-N 2.94Å; D474-A477 VanDerWaalsContact O-N 3.15Å; D474-H478 PolarHBondContact O-N 3.48Å; D474-H478 IonicContact OD2-CE1 3.65Å; D474-H478 IonicContact OD2-NE2 3.74Å; D474-I510 HydrophobicContact CB-CD1 4.23Å
475	H	98.7	Very high	97.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-43.1	174.4	-161	179.2	0	0	0	112	R425 L433 F461 P463 R471 D472 E473 A477 H478 I479	R425-H475 PolarHBondContact O-CE1 3.38Å; L433-H475 HydrophobicContact CD1-CB 4.02Å; F461-H475 VanDerWaalsContact CB-NE2 3.3Å; F461-H475 WeakPolarHBondContact CB-NE2 3.46Å; F461-H475 AromaticContact CD2-NE2 3.8Å; F461-H475 AromaticContact CG-NE2 3.74Å; P463-H475 HydrophobicContact CB-CB 3.61Å; P463-H475 HydrophobicContact CG-CB 3.72Å; R471-H475 WeakPolarHBondContact O-CB 3.23Å; R471-H475 PolarHBondContact O-N 3.33Å; R471-H475 VanDerWaalsContact O-N 3.09Å; D472-H475 WeakPolarHBondContact O-CB 3.38Å; D472-H475 PolarHBondContact O-N 3.3Å; E473-H475 VanDerWaalsContact C-N 3.27Å; E473-H475 PolarHBondContact O-N 2.98Å; H475-A477 VanDerWaalsContact C-N 3.29Å; H475-A477 PolarHBondContact O-N 3.24Å; H475-H478 PolarHBondContact O-N 3.05Å; H475-I479 WeakPolarHBondContact O-CG1 3.45Å; H475-I479 PolarHBondContact O-N 3.32Å; H475-I479 VanDerWaalsContact O-N 3.14Å
476	I	98.6	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-37.3	174.5	-64.4	166.6	0	0	0	110.5	L433 I434 D472 E473 D474 I479 V480 I486 F500 F501 L507	L433-I476 HydrophobicContact CB-CD1 4.41Å; L433-I476 HydrophobicContact CB-CG1 4.3Å; L433-I476 HydrophobicContact CD1-CG1 4.01Å; I434-I476 HydrophobicContact CG2-CD1 4.04Å; D472-I476 WeakPolarHBondContact O-CG1 3.22Å; D472-I476 PolarHBondContact O-N 3.36Å; E473-I476 PolarHBondContact O-N 2.99Å; D474-I476 PolarHBondContact O-N 2.99Å; I476-I479 WeakPolarHBondContact O-CB 3.2Å; I476-I479 PolarHBondContact O-N 3.27Å; I476-V480 HydrophobicContact CG2-CG2 4.45Å; I476-V480 WeakPolarHBondContact O-CG2 3.46Å; I476-V480 PolarHBondContact O-N 3.25Å; I476-I486 HydrophobicContact CG2-CD1 3.76Å; I476-F500 HydrophobicContact CD1-CB 3.94Å; I476-F500 HydrophobicContact CD1-CD1 4.48Å; I476-F500 HydrophobicContact CD1-CD2 3.52Å; I476-F500 HydrophobicContact CD1-CE2 4.15Å; I476-F500 HydrophobicContact CD1-CG 3.72Å; I476-F501 HydrophobicContact CD1-CE2 4.2Å; I476-F501 HydrophobicContact CD1-CZ 4.25Å; I476-F501 HydrophobicContact CG2-CE1 3.98Å; I476-F501 HydrophobicContact CG2-CE2 4.47Å; I476-F501 HydrophobicContact CG2-CZ 3.53Å; I476-L507 HydrophobicContact CB-CD2 4.25Å; I476-L507 HydrophobicContact CG2-CD2 3.75Å
477	A	98.4	Very high	97.4	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-48.8	175.1	0	0	0	0	0	112	E473 D474 H475 I479 V480 E481 L507 I510 L513	E473-A477 PolarHBondContact O-N 3.45Å; D474-A477 WeakPolarHBondContact O-CB 3.39Å; D474-A477 PolarHBondContact O-N 2.94Å; D474-A477 VanDerWaalsContact O-N 3.15Å; H475-A477 VanDerWaalsContact C-N 3.29Å; H475-A477 PolarHBondContact O-N 3.24Å; A477-I479 VanDerWaalsContact C-N 3.26Å; A477-I479 PolarHBondContact O-N 3.38Å; A477-V480 PolarHBondContact O-N 3.02Å; A477-V480 VanDerWaalsContact O-N 3.09Å; A477-E481 WeakPolarHBondContact O-CG 3.27Å; A477-E481 PolarHBondContact O-N 3.42Å; A477-L507 HydrophobicContact CB-CD1 3.68Å; A477-I510 HydrophobicContact CB-CD1 3.77Å; A477-I510 HydrophobicContact CB-CG2 4.07Å; A477-L513 HydrophobicContact CB-CD2 3.68Å
478	H	98.4	Very high	97.6	Very high	48 Å²	48	42 Å²	42	22%	0.222	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-39.1	175.7	-68.7	175.5	0	0	0	112.5	F461 E462 D474 H475 E481 L482	F461-H478 HydrophobicContact CD1-CB 3.78Å; F461-H478 HydrophobicContact CE1-CB 4.38Å; E462-H478 PolarHBondContact O-CE1 3.03Å; D474-H478 PolarHBondContact O-N 3.48Å; D474-H478 IonicContact OD2-CE1 3.65Å; D474-H478 IonicContact OD2-NE2 3.74Å; H475-H478 PolarHBondContact O-N 3.05Å; H478-E481 IonicContact CD2-OE2 2.86Å; H478-E481 PolarHBondContact O-N 3.48Å; H478-L482 WeakPolarHBondContact O-CB 3.27Å; H478-L482 PolarHBondContact O-N 3.4Å; H478-L482 VanDerWaalsContact O-N 3.12Å
479	I	98.6	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175.6	-71	168.9	0	0	0	110.5	V430 L433 W445 F461 H475 I476 A477 L482 L483 Y546	V430-I479 HydrophobicContact CB-CD1 4.22Å; L433-I479 HydrophobicContact CD1-CD1 3.82Å; W445-I479 HydrophobicContact CH2-CD1 4.15Å; W445-I479 HydrophobicContact CH2-CG1 4.28Å; W445-I479 HydrophobicContact CH2-CG2 3.98Å; W445-I479 HydrophobicContact CZ2-CD1 3.7Å; W445-I479 HydrophobicContact CZ2-CG1 3.92Å; W445-I479 HydrophobicContact CZ2-CG2 4.47Å; F461-I479 HydrophobicContact CD1-CG1 4.28Å; F461-I479 HydrophobicContact CD2-CG1 4.36Å; F461-I479 HydrophobicContact CE1-CB 4.46Å; F461-I479 HydrophobicContact CE1-CG1 3.87Å; F461-I479 HydrophobicContact CE2-CG1 3.96Å; F461-I479 HydrophobicContact CG-CG1 4.49Å; F461-I479 HydrophobicContact CZ-CB 4.44Å; F461-I479 HydrophobicContact CZ-CG1 3.68Å; H475-I479 WeakPolarHBondContact O-CG1 3.45Å; H475-I479 PolarHBondContact O-N 3.32Å; H475-I479 VanDerWaalsContact O-N 3.14Å; I476-I479 WeakPolarHBondContact O-CB 3.2Å; I476-I479 PolarHBondContact O-N 3.27Å; A477-I479 VanDerWaalsContact C-N 3.26Å; A477-I479 PolarHBondContact O-N 3.38Å; I479-L482 PolarHBondContact O-N 3.03Å; I479-L483 HydrophobicContact CG2-CD1 4.29Å; I479-L483 WeakPolarHBondContact O-CB 3.21Å; I479-L483 PolarHBondContact O-N 2.86Å; I479-Y546 HydrophobicContact CG2-CD1 4.44Å; I479-Y546 HydrophobicContact CG2-CE1 3.51Å
480	V	98.2	Very high	97.8	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-39.9	178.9	175.4	0	0	0	0	111.7	I476 A477 L482 G484 I486 L513	I476-V480 HydrophobicContact CG2-CG2 4.45Å; I476-V480 WeakPolarHBondContact O-CG2 3.46Å; I476-V480 PolarHBondContact O-N 3.25Å; A477-V480 PolarHBondContact O-N 3.02Å; A477-V480 VanDerWaalsContact O-N 3.09Å; V480-L482 VanDerWaalsContact C-N 3.27Å; V480-L482 PolarHBondContact O-N 3.3Å; V480-G484 WeakPolarHBondContact CA-O 3.32Å; V480-G484 CarbonylContact O-C 3.59Å; V480-G484 WeakPolarHBondContact O-CA 3.4Å; V480-G484 PolarHBondContact O-N 3.49Å; V480-I486 HydrophobicContact CG2-CD1 3.92Å; V480-I486 HydrophobicContact CG2-CG1 3.97Å; V480-L513 HydrophobicContact CB-CD1 4.33Å; V480-L513 HydrophobicContact CG1-CD1 3.67Å
481	E	98.1	Very high	97.8	Very high	44 Å²	44	35.4 Å²	35.4	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-36.4	177	-74.5	179.1	153.3	0	0	112.5	A477 H478 L513 K514 H515 W516	A477-E481 WeakPolarHBondContact O-CG 3.27Å; A477-E481 PolarHBondContact O-N 3.42Å; H478-E481 IonicContact CD2-OE2 2.86Å; H478-E481 PolarHBondContact O-N 3.48Å; E481-L513 HydrophobicContact CG-CB 3.97Å; E481-L513 HydrophobicContact CG-CD2 3.99Å; E481-L513 WeakPolarHBondContact OE1-CA 3.39Å; E481-K514 WeakPolarHBondContact CB-O 3.46Å; E481-K514 WeakPolarHBondContact CG-O 3.43Å; E481-K514 PolarHBondContact OE1-N 3.36Å; E481-H515 VanDerWaalsContact O-CA 3.3Å; E481-H515 WeakPolarHBondContact O-CA 3.41Å; E481-W516 PolarHBondContact O-N 2.57Å
482	L	98.2	Very high	97.8	Very high	20 Å²	20	33.2 Å²	33.2	11%	0.105	20%	0.197	C	C	.	.	H	α-helix	trans	-82.9	-42.1	-179	-173.2	74.7	0	0	0	113.2	L460 F461 H478 I479 V480 L518 V521 M544	L460-L482 HydrophobicContact CD1-CD2 3.73Å; L460-L482 HydrophobicContact CD2-CD2 4.24Å; L460-L482 HydrophobicContact CG-CD2 4.1Å; F461-L482 HydrophobicContact CE1-CB 4.24Å; F461-L482 HydrophobicContact CE1-CD2 3.71Å; F461-L482 HydrophobicContact CZ-CD2 3.72Å; H478-L482 WeakPolarHBondContact O-CB 3.27Å; H478-L482 PolarHBondContact O-N 3.4Å; H478-L482 VanDerWaalsContact O-N 3.12Å; I479-L482 PolarHBondContact O-N 3.03Å; V480-L482 VanDerWaalsContact C-N 3.27Å; V480-L482 PolarHBondContact O-N 3.3Å; L482-L518 HydrophobicContact CD1-CB 3.97Å; L482-L518 HydrophobicContact CD1-CD1 4.35Å; L482-L518 HydrophobicContact CG-CB 4.43Å; L482-V521 HydrophobicContact CD1-CG2 4.46Å; L482-M544 HydrophobicContact CD2-CE 4.12Å
483	L	97.5	Very high	97.8	Very high	42 Å²	42	34.3 Å²	34.3	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-114.1	-6.6	-166.3	-58.9	179.6	0	0	0	113.9	W445 I479 L541 M544 Y546	W445-L483 HydrophobicContact CH2-CD1 4.03Å; W445-L483 HydrophobicContact CZ3-CD1 4.42Å; I479-L483 HydrophobicContact CG2-CD1 4.29Å; I479-L483 WeakPolarHBondContact O-CB 3.21Å; I479-L483 PolarHBondContact O-N 2.86Å; L483-L541 HydrophobicContact CD2-CD2 3.6Å; L483-M544 HydrophobicContact CD1-CB 3.83Å; L483-M544 HydrophobicContact CD1-CE 4.05Å; L483-M544 HydrophobicContact CD2-CB 4.4Å; L483-M544 HydrophobicContact CD2-SD 4.44Å; L483-Y546 HydrophobicContact CB-CE1 4.18Å; L483-Y546 WeakPolarHBondContact CB-OH 3.45Å; L483-Y546 HydrophobicContact CD1-CE1 3.91Å
484	G	96.3	Very high	97.7	Very high	21 Å²	21	34.8 Å²	34.8	22%	0.216	21%	0.214	C	C	.	.			trans	88.3	-174	-177.3	0	0	0	0	0	113.8	V480 I486 Y546	V480-G484 WeakPolarHBondContact CA-O 3.32Å; V480-G484 CarbonylContact O-C 3.59Å; V480-G484 WeakPolarHBondContact O-CA 3.4Å; V480-G484 PolarHBondContact O-N 3.49Å; G484-I486 PolarHBondContact O-N 3.21Å; G484-Y546 PolarHBondContact O-OH 2.94Å
485	D	95.8	Very high	97.7	Very high	132 Å²	132	40.8 Å²	40.8	71%	0.706	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-62.3	133	-173.8	-71.6	-39.3	0	0	0	113.4
486	I	97.6	Very high	97.6	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.036	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-70.5	129.8	171.6	-59.5	165.1	0	0	0	108.6	V430 I476 V480 G484 P488 F490 A491 F501 Y546	V430-I486 HydrophobicContact CG2-CD1 3.91Å; I476-I486 HydrophobicContact CG2-CD1 3.76Å; V480-I486 HydrophobicContact CG2-CD1 3.92Å; V480-I486 HydrophobicContact CG2-CG1 3.97Å; G484-I486 PolarHBondContact O-N 3.21Å; I486-P488 WeakPolarHBondContact O-CD 3.42Å; I486-F490 HydrophobicContact CG2-CD1 3.81Å; I486-A491 HydrophobicContact CB-CB 4.24Å; I486-A491 HydrophobicContact CG2-CB 3.81Å; I486-F501 HydrophobicContact CD1-CE1 4.45Å; I486-F501 HydrophobicContact CD1-CZ 4Å; I486-Y546 HydrophobicContact CB-CE2 4.49Å; I486-Y546 HydrophobicContact CG1-CD1 4.16Å; I486-Y546 HydrophobicContact CG1-CD2 4.46Å; I486-Y546 HydrophobicContact CG1-CE1 3.84Å; I486-Y546 HydrophobicContact CG1-CE2 4.11Å; I486-Y546 HydrophobicContact CG1-CG 4.44Å; I486-Y546 HydrophobicContact CG2-CG 4.45Å
487	P	97.6	Very high	97.5	Very high	49 Å²	49	45.4 Å²	45.4	32%	0.318	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-51.5	124.6	177.5	-29.2	34.9	0	0	0	111.5	A489 F490 A491 Y546	P487-A489 PolarHBondContact O-N 3.07Å; P487-F490 WeakPolarHBondContact O-CA 3.46Å; P487-F490 PolarHBondContact O-N 3.1Å; P487-A491 PolarHBondContact O-N 3.34Å; P487-Y546 VanDerWaalsContact CD-CD2 3.5Å; P487-Y546 HydrophobicContact CG-CD2 4.47Å
488	P	97.3	Very high	97.4	Very high	71 Å²	71	55.5 Å²	55.5	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-56.4	-33.6	-172.7	-30.8	35.8	0	0	0	114.3	I486 F490 L492	I486-P488 WeakPolarHBondContact O-CD 3.42Å; P488-F490 VanDerWaalsContact C-N 3.27Å; P488-F490 PolarHBondContact O-N 3.16Å; P488-L492 VanDerWaalsContact O-CB 3.31Å; P488-L492 WeakPolarHBondContact O-CB 3.27Å; P488-L492 VanDerWaalsContact O-CG 3.27Å; P488-L492 WeakPolarHBondContact O-CG 3.42Å; P488-L492 PolarHBondContact O-N 2.88Å
489	A	97.2	Very high	97.4	Very high	90 Å²	90	58.9 Å²	58.9	74%	0.744	31%	0.307	S	S	*	.	H	α-helix	trans	-60.2	-37.8	176	0	0	0	0	0	112.3	P487	P487-A489 PolarHBondContact O-N 3.07Å
490	F	97.9	Very high	97.3	Very high	24 Å²	24	59 Å²	59	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-83.3	-45.5	177.8	-178.3	-111.4	0	0	0	111.5	V430 E431 I434 A436 I486 P487 P488 L492 S493 Y546 I547 P548	V430-F490 HydrophobicContact CG1-CE1 3.88Å; V430-F490 HydrophobicContact CG1-CZ 4.42Å; E431-F490 HydrophobicContact CB-CZ 4.02Å; I434-F490 HydrophobicContact CD1-CD1 4.35Å; I434-F490 HydrophobicContact CD1-CE1 3.99Å; I434-F490 HydrophobicContact CD1-CE2 4.44Å; I434-F490 HydrophobicContact CD1-CZ 4.04Å; I434-F490 WeakPolarHBondContact CD1-O 3.42Å; A436-F490 HydrophobicContact CB-CE2 4.46Å; I486-F490 HydrophobicContact CG2-CD1 3.81Å; P487-F490 WeakPolarHBondContact O-CA 3.46Å; P487-F490 PolarHBondContact O-N 3.1Å; P488-F490 VanDerWaalsContact C-N 3.27Å; P488-F490 PolarHBondContact O-N 3.16Å; F490-L492 PolarHBondContact O-N 3.47Å; F490-L492 VanDerWaalsContact O-N 3.09Å; F490-S493 WeakPolarHBondContact O-CB 3.32Å; F490-S493 PolarHBondContact O-N 2.69Å; F490-S493 PolarHBondContact O-OG 3.11Å; F490-Y546 VanDerWaalsContact CE1-O 3.23Å; F490-Y546 WeakPolarHBondContact CE1-O 3.25Å; F490-Y546 VanDerWaalsContact CZ-O 3.25Å; F490-Y546 WeakPolarHBondContact CZ-O 3.23Å; F490-I547 HydrophobicContact CG-CG1 4.47Å; F490-P548 HydrophobicContact CE2-CG 4.47Å; F490-P548 HydrophobicContact CZ-CG 4.41Å
491	A	97.7	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-53.5	-34.4	177.7	0	0	0	0	0	112.6	I486 P487 S497 F501	I486-A491 HydrophobicContact CB-CB 4.24Å; I486-A491 HydrophobicContact CG2-CB 3.81Å; P487-A491 PolarHBondContact O-N 3.34Å; A491-S497 WeakPolarHBondContact O-CB 3.2Å; A491-S497 PolarHBondContact O-OG 2.83Å; A491-F501 HydrophobicContact CB-CD1 4.25Å; A491-F501 HydrophobicContact CB-CD2 4.27Å; A491-F501 HydrophobicContact CB-CE1 4.07Å; A491-F501 HydrophobicContact CB-CE2 4.11Å; A491-F501 HydrophobicContact CB-CG 4.32Å; A491-F501 HydrophobicContact CB-CZ 3.98Å; A491-F501 WeakPolarHBondContact O-CD2 3.48Å
492	L	97.6	Very high	97.2	Very high	75 Å²	75	59.1 Å²	59.1	39%	0.393	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.2	-179.3	-59.7	176.3	0	0	0	114.6	P488 F490 F501 N502	P488-L492 VanDerWaalsContact O-CB 3.31Å; P488-L492 WeakPolarHBondContact O-CB 3.27Å; P488-L492 VanDerWaalsContact O-CG 3.27Å; P488-L492 WeakPolarHBondContact O-CG 3.42Å; P488-L492 PolarHBondContact O-N 2.88Å; F490-L492 PolarHBondContact O-N 3.47Å; F490-L492 VanDerWaalsContact O-N 3.09Å; L492-F501 HydrophobicContact CD2-CB 3.83Å; L492-N502 WeakPolarHBondContact CD2-O 3.49Å
493	S	96.8	Very high	97.1	Very high	70 Å²	70	69.8 Å²	69.8	49%	0.49	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-23.1	-176.8	70.4	0	0	0	0	114.3	F490	F490-S493 WeakPolarHBondContact O-CB 3.32Å; F490-S493 PolarHBondContact O-N 2.69Å; F490-S493 PolarHBondContact O-OG 3.11Å
494	G	97	Very high	96.9	Very high	12 Å²	12	77.2 Å²	77.2	12%	0.124	37%	0.373	C	S	.	.	S	Bend	trans	-80.8	156.9	-173.4	0	0	0	0	0	114.2	I434 Y496 S497	I434-G494 CarbonylContact O-C 3.53Å; I434-G494 WeakPolarHBondContact O-CA 3.27Å; G494-Y496 VanDerWaalsContact C-N 3.26Å; G494-Y496 PolarHBondContact O-N 3.14Å; G494-S497 WeakPolarHBondContact CA-OG 3.47Å; G494-S497 PolarHBondContact N-OG 3.37Å; G494-S497 WeakPolarHBondContact O-CB 3.16Å; G494-S497 PolarHBondContact O-N 2.7Å; G494-S497 PolarHBondContact O-OG 2.94Å
495	R	97.6	Very high	96.8	Very high	143 Å²	143	76.7 Å²	76.7	54%	0.54	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.5	178.8	-66	-173.3	-60.6	-119.1	-7.2	112.9	E420 I434 G435	E420-R495 IonicContact OE2-CZ 2.76Å; E420-R495 IonicContact OE2-NH1 3.75Å; E420-R495 PolarHBondContact OE2-NH1 3.02Å; E420-R495 VanDerWaalsContact OE2-NH1 3.1Å; E420-R495 IonicContact OE2-NH2 2.83Å; E420-R495 PolarHBondContact OE2-NH2 3.39Å; I434-R495 PolarHBondContact O-N 3.02Å; I434-R495 VanDerWaalsContact O-N 3.15Å; G435-R495 WeakPolarHBondContact O-CG 3.45Å; G435-R495 PolarHBondContact O-N 3.32Å
496	Y	97.3	Very high	96.9	Very high	96 Å²	96	75.7 Å²	75.7	38%	0.376	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.4	-177.3	-48.4	-50.7	0	0	0	112.8	I434 G494 R498 E499	I434-Y496 PolarHBondContact O-N 3.47Å; G494-Y496 VanDerWaalsContact C-N 3.26Å; G494-Y496 PolarHBondContact O-N 3.14Å; Y496-R498 PolarHBondContact O-N 3.35Å; Y496-E499 VanDerWaalsContact O-CB 3.31Å; Y496-E499 WeakPolarHBondContact O-CB 3.32Å; Y496-E499 PolarHBondContact O-N 3.05Å
497	S	97.3	Very high	96.8	Very high	2 Å²	2	75.8 Å²	75.8	1%	0.014	36%	0.36	C	S	.	.	H	α-helix	trans	-52.6	-32.1	-175.7	-68.1	0	0	0	0	114.6	A491 G494 E499 F500 F501	A491-S497 WeakPolarHBondContact O-CB 3.2Å; A491-S497 PolarHBondContact O-OG 2.83Å; G494-S497 WeakPolarHBondContact CA-OG 3.47Å; G494-S497 PolarHBondContact N-OG 3.37Å; G494-S497 WeakPolarHBondContact O-CB 3.16Å; G494-S497 PolarHBondContact O-N 2.7Å; G494-S497 PolarHBondContact O-OG 2.94Å; S497-E499 PolarHBondContact O-N 3.19Å; S497-F500 PolarHBondContact O-N 3.04Å; S497-F501 WeakPolarHBondContact O-CB 3.42Å; S497-F501 PolarHBondContact O-N 2.85Å
498	R	96.4	Very high	96.8	Very high	214 Å²	214	78.6 Å²	78.6	81%	0.808	36%	0.364	S	S	*	.	H	α-helix	trans	-69.9	-19.6	-179.4	-68	-177.7	-179	171.8	2.5	113.5	Y496 R508	Y496-R498 PolarHBondContact O-N 3.35Å; R498-R508 VanDerWaalsContact O-CZ 3.3Å; R498-R508 PolarHBondContact O-NE 2.76Å; R498-R508 PolarHBondContact O-NH2 3Å
499	E	96.8	Very high	96.8	Very high	118 Å²	118	79.8 Å²	79.8	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-75.6	-34.8	177	-59.8	178	-152.7	0	0	111	Y496 S497 R508	Y496-E499 VanDerWaalsContact O-CB 3.31Å; Y496-E499 WeakPolarHBondContact O-CB 3.32Å; Y496-E499 PolarHBondContact O-N 3.05Å; S497-E499 PolarHBondContact O-N 3.19Å; E499-R508 WeakPolarHBondContact O-CD 3.31Å
500	F	97.5	Very high	96.7	Very high	4 Å²	4	76.6 Å²	76.6	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-102.9	-35.2	-173.7	-44.6	-51.9	0	0	0	113.3	L433 D472 E473 I476 S497 L507 R508	L433-F500 WeakPolarHBondContact O-CE2 3.44Å; D472-F500 HydrophobicContact CB-CE1 3.73Å; D472-F500 HydrophobicContact CB-CZ 3.63Å; E473-F500 HydrophobicContact CB-CD1 3.87Å; E473-F500 HydrophobicContact CG-CB 4.4Å; E473-F500 HydrophobicContact CG-CD1 4.31Å; I476-F500 HydrophobicContact CD1-CB 3.94Å; I476-F500 HydrophobicContact CD1-CD1 4.48Å; I476-F500 HydrophobicContact CD1-CD2 3.52Å; I476-F500 HydrophobicContact CD1-CE2 4.15Å; I476-F500 HydrophobicContact CD1-CG 3.72Å; S497-F500 PolarHBondContact O-N 3.04Å; F500-L507 HydrophobicContact CB-CD2 4.41Å; F500-L507 CarbonylContact O-C 3.57Å; F500-L507 WeakPolarHBondContact O-CA 3.4Å; F500-R508 WeakPolarHBondContact O-CG 3.42Å; F500-R508 PolarHBondContact O-N 3.3Å
501	F	97.9	Very high	96.5	Very high	4 Å²	4	82 Å²	82	2%	0.018	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-114.4	144.1	-171	-57.1	-80.3	0	0	0	113.8	I434 I476 I486 A491 L492 S497 G505 Q506 L507 R508	I434-F501 HydrophobicContact CG2-CE2 3.83Å; I476-F501 HydrophobicContact CD1-CE2 4.2Å; I476-F501 HydrophobicContact CD1-CZ 4.25Å; I476-F501 HydrophobicContact CG2-CE1 3.98Å; I476-F501 HydrophobicContact CG2-CE2 4.47Å; I476-F501 HydrophobicContact CG2-CZ 3.53Å; I486-F501 HydrophobicContact CD1-CE1 4.45Å; I486-F501 HydrophobicContact CD1-CZ 4Å; A491-F501 HydrophobicContact CB-CD1 4.25Å; A491-F501 HydrophobicContact CB-CD2 4.27Å; A491-F501 HydrophobicContact CB-CE1 4.07Å; A491-F501 HydrophobicContact CB-CE2 4.11Å; A491-F501 HydrophobicContact CB-CG 4.32Å; A491-F501 HydrophobicContact CB-CZ 3.98Å; A491-F501 WeakPolarHBondContact O-CD2 3.48Å; L492-F501 HydrophobicContact CD2-CB 3.83Å; S497-F501 WeakPolarHBondContact O-CB 3.42Å; S497-F501 PolarHBondContact O-N 2.85Å; F501-G505 VanDerWaalsContact CD1-O 3.28Å; F501-G505 WeakPolarHBondContact CD1-O 3.42Å; F501-Q506 CarbonylContact C-O 3.57Å; F501-Q506 VanDerWaalsContact CA-O 3.29Å; F501-Q506 WeakPolarHBondContact CA-O 3.49Å; F501-L507 HydrophobicContact CD1-CD2 4.09Å; F501-L507 HydrophobicContact CE1-CD2 3.81Å; F501-L507 HydrophobicContact CE1-CG 4.41Å; F501-L507 HydrophobicContact CZ-CD2 4.37Å; F501-R508 PolarHBondContact O-NE 2.96Å; F501-R508 PolarHBondContact O-NH2 3.26Å
502	N	96.6	Very high	96.2	Very high	47 Å²	47	89.1 Å²	89.1	25%	0.251	40%	0.397	S	S	.	.			trans	-79.7	177.1	167.7	75.8	22.2	0	0	0	111.2	L492 R504 G505 Q506 R508	L492-N502 WeakPolarHBondContact CD2-O 3.49Å; N502-R504 PolarHBondContact O-N 3.48Å; N502-R504 WeakPolarHBondContact OD1-CA 3.43Å; N502-R504 WeakPolarHBondContact OD1-CB 3.23Å; N502-R504 PolarHBondContact OD1-N 3.16Å; N502-G505 PolarHBondContact O-N 3.39Å; N502-G505 PolarHBondContact OD1-N 2.9Å; N502-Q506 PolarHBondContact N-O 3.21Å; N502-Q506 PolarHBondContact ND2-OE1 3.1Å; N502-Q506 PolarHBondContact OD1-N 3.42Å; N502-R508 HydrophobicContact CB-CG 4.46Å
503	R	95.1	Very high	96.1	Very high	244 Å²	244	87.6 Å²	87.6	92%	0.921	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.8	-178.2	-66.8	-175.2	-177.6	171.1	1.6	115
504	R	94.6	Very high	96	Very high	198 Å²	198	92.5 Å²	92.5	75%	0.747	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.6	176.9	-59.6	-179.6	177.4	178.8	-1.3	112.5	N502 Q506	N502-R504 PolarHBondContact O-N 3.48Å; N502-R504 WeakPolarHBondContact OD1-CA 3.43Å; N502-R504 WeakPolarHBondContact OD1-CB 3.23Å; N502-R504 PolarHBondContact OD1-N 3.16Å; R504-Q506 HydrophobicContact CB-CG 4.37Å
505	G	94.2	Very high	95.9	Very high	11 Å²	11	97.4 Å²	97.4	11%	0.113	42%	0.421	C	S	.	.	S	Bend	trans	83.2	15.2	-175.8	0	0	0	0	0	114.2	F501 N502	F501-G505 VanDerWaalsContact CD1-O 3.28Å; F501-G505 WeakPolarHBondContact CD1-O 3.42Å; N502-G505 PolarHBondContact O-N 3.39Å; N502-G505 PolarHBondContact OD1-N 2.9Å
506	Q	96	Very high	95.8	Very high	110 Å²	110	95.7 Å²	95.7	51%	0.514	41%	0.414	S	S	.	.			trans	-98.3	150.3	177.7	-56.8	171.1	-50	0	0	110.7	F501 N502 R504	F501-Q506 CarbonylContact C-O 3.57Å; F501-Q506 VanDerWaalsContact CA-O 3.29Å; F501-Q506 WeakPolarHBondContact CA-O 3.49Å; N502-Q506 PolarHBondContact N-O 3.21Å; N502-Q506 PolarHBondContact ND2-OE1 3.1Å; N502-Q506 PolarHBondContact OD1-N 3.42Å; R504-Q506 HydrophobicContact CB-CG 4.37Å
507	L	97.5	Very high	95.8	Very high	10 Å²	10	92.1 Å²	92.1	5%	0.052	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-57.6	145.5	176.4	-69.5	177	0	0	0	112.3	E473 I476 A477 F500 F501 I510 L513	E473-L507 HydrophobicContact CG-CD2 3.93Å; I476-L507 HydrophobicContact CB-CD2 4.25Å; I476-L507 HydrophobicContact CG2-CD2 3.75Å; A477-L507 HydrophobicContact CB-CD1 3.68Å; F500-L507 HydrophobicContact CB-CD2 4.41Å; F500-L507 CarbonylContact O-C 3.57Å; F500-L507 WeakPolarHBondContact O-CA 3.4Å; F501-L507 HydrophobicContact CD1-CD2 4.09Å; F501-L507 HydrophobicContact CE1-CD2 3.81Å; F501-L507 HydrophobicContact CE1-CG 4.41Å; F501-L507 HydrophobicContact CZ-CD2 4.37Å; L507-I510 WeakPolarHBondContact CB-O 3.45Å; L507-I510 HydrophobicContact CD1-CB 4.28Å; L507-L513 HydrophobicContact CD1-CD2 4.17Å
508	R	96.1	Very high	95.8	Very high	108 Å²	108	92.2 Å²	92.2	41%	0.408	41%	0.408	S	S	.	.	S	Bend	trans	-86.2	-43.1	-170.6	-81.2	176.7	173.9	-91.5	3	113.4	E473 R498 E499 F500 F501 N502 H511	E473-R508 PolarHBondContact OE1-N 3.39Å; R498-R508 VanDerWaalsContact O-CZ 3.3Å; R498-R508 PolarHBondContact O-NE 2.76Å; R498-R508 PolarHBondContact O-NH2 3Å; E499-R508 WeakPolarHBondContact O-CD 3.31Å; F500-R508 WeakPolarHBondContact O-CG 3.42Å; F500-R508 PolarHBondContact O-N 3.3Å; F501-R508 PolarHBondContact O-NE 2.96Å; F501-R508 PolarHBondContact O-NH2 3.26Å; N502-R508 HydrophobicContact CB-CG 4.46Å; R508-H511 PolarHBondContact O-CE1 2.74Å; R508-H511 PolarHBondContact O-NE2 3.35Å
509	H	97.2	Very high	95.8	Very high	95 Å²	95	85.3 Å²	85.3	44%	0.44	38%	0.382	S	S	.	.	S	Bend	trans	-111.2	-23.3	-171.2	-49.8	101.4	0	0	0	111.3	D468 E473	D468-H509 WeakPolarHBondContact O-CB 3.38Å; D468-H509 PolarHBondContact O-CD2 2.91Å; D468-H509 VanDerWaalsContact O-CG 3.23Å; E473-H509 VanDerWaalsContact CD-ND1 3.34Å; E473-H509 WeakPolarHBondContact OE1-CB 3.45Å; E473-H509 IonicContact OE1-CG 3.69Å; E473-H509 PolarHBondContact OE1-N 3.22Å; E473-H509 IonicContact OE1-ND1 2.6Å; E473-H509 PolarHBondContact OE1-ND1 3.08Å; E473-H509 IonicContact OE2-CE1 3.74Å; E473-H509 IonicContact OE2-CG 2.87Å; E473-H509 IonicContact OE2-ND1 3.73Å; E473-H509 PolarHBondContact OE2-ND1 2.95Å
510	I	95.8	Very high	95.9	Very high	24 Å²	24	83.4 Å²	83.4	12%	0.123	37%	0.373	C	S	.	.			trans	-104	111.9	177	-54.3	174.6	0	0	0	109.5	Y469 E473 D474 A477 L507 L513	Y469-I510 HydrophobicContact CD1-CD1 4.2Å; Y469-I510 HydrophobicContact CD1-CG1 3.83Å; Y469-I510 HydrophobicContact CD2-CD1 3.87Å; Y469-I510 HydrophobicContact CD2-CG1 4.38Å; Y469-I510 HydrophobicContact CE1-CG1 4.38Å; Y469-I510 HydrophobicContact CE2-CD1 4.28Å; Y469-I510 HydrophobicContact CG-CD1 3.82Å; Y469-I510 HydrophobicContact CG-CG1 3.83Å; E473-I510 HydrophobicContact CG-CD1 4.26Å; D474-I510 HydrophobicContact CB-CD1 4.23Å; A477-I510 HydrophobicContact CB-CD1 3.77Å; A477-I510 HydrophobicContact CB-CG2 4.07Å; L507-I510 WeakPolarHBondContact CB-O 3.45Å; L507-I510 HydrophobicContact CD1-CB 4.28Å; I510-L513 HydrophobicContact CG2-CD2 3.87Å
511	H	92.8	Very high	95.9	Very high	137 Å²	137	83.9 Å²	83.9	63%	0.634	38%	0.376	S	S	*	.			trans	-111.9	-25.6	-177.1	-58.4	-46.9	0	0	0	114.2	R508 L513	R508-H511 PolarHBondContact O-CE1 2.74Å; R508-H511 PolarHBondContact O-NE2 3.35Å; H511-L513 PolarHBondContact O-N 3.36Å
512	N	92.7	Very high	95.9	Very high	150 Å²	150	83.7 Å²	83.7	80%	0.802	38%	0.376	S	S	*	.			trans	-100	74.5	-174.2	-66.7	-27.6	0	0	0	110.4
513	L	94.4	Very high	95.9	Very high	43 Å²	43	84.4 Å²	84.4	23%	0.225	38%	0.378	C	S	.	.			trans	-80.8	128.6	179.7	-61.8	169.9	0	0	0	111.1	A477 V480 E481 L507 I510 H511	A477-L513 HydrophobicContact CB-CD2 3.68Å; V480-L513 HydrophobicContact CB-CD1 4.33Å; V480-L513 HydrophobicContact CG1-CD1 3.67Å; E481-L513 HydrophobicContact CG-CB 3.97Å; E481-L513 HydrophobicContact CG-CD2 3.99Å; E481-L513 WeakPolarHBondContact OE1-CA 3.39Å; L507-L513 HydrophobicContact CD1-CD2 4.17Å; I510-L513 HydrophobicContact CG2-CD2 3.87Å; H511-L513 PolarHBondContact O-N 3.36Å
514	K	94.4	Very high	96	Very high	172 Å²	172	78.8 Å²	78.8	75%	0.748	36%	0.362	S	S	*	.			trans	-98.3	91.7	176.3	-65.6	179.7	-176.2	174.4	0	109.6	E481 W516	E481-K514 WeakPolarHBondContact CB-O 3.46Å; E481-K514 WeakPolarHBondContact CG-O 3.43Å; E481-K514 PolarHBondContact OE1-N 3.36Å; K514-W516 PolarHBondContact O-N 3.01Å
515	H	95.7	Very high	96.2	Very high	115 Å²	115	74.4 Å²	74.4	53%	0.532	35%	0.348	S	S	.	.			trans	-66.1	125.4	-179.7	-66.6	78.6	0	0	0	110.9	E481	E481-H515 VanDerWaalsContact O-CA 3.3Å; E481-H515 WeakPolarHBondContact O-CA 3.41Å
516	W	96.5	Very high	96.4	Very high	107 Å²	107	76 Å²	76	41%	0.405	35%	0.351	S	S	.	.			trans	-145.4	98	176.3	-162.4	11.3	0	0	0	108.1	E481 K514 V521 E524 K525	E481-W516 PolarHBondContact O-N 2.57Å; K514-W516 PolarHBondContact O-N 3.01Å; W516-V521 HydrophobicContact CB-CG2 4.03Å; W516-V521 HydrophobicContact CD2-CG2 3.51Å; W516-V521 HydrophobicContact CE3-CG2 4Å; W516-V521 HydrophobicContact CG-CG2 3.49Å; W516-V521 VanDerWaalsContact CG-CG2 3.49Å; W516-E524 HydrophobicContact CZ2-CB 3.9Å; W516-E524 PolarHBondContact NE1-OE2 3.2Å; W516-K525 HydrophobicContact CH2-CB 3.83Å; W516-K525 HydrophobicContact CH2-CG 4.48Å; W516-K525 HydrophobicContact CZ2-CB 4.13Å
517	G	96.5	Very high	96.4	Very high	22 Å²	22	78.9 Å²	78.9	23%	0.227	37%	0.365	C	S	.	.			trans	-63.6	155	-174.4	0	0	0	0	0	112.6	Y519 E520 V521	G517-Y519 VanDerWaalsContact C-N 3.25Å; G517-Y519 PolarHBondContact O-N 2.9Å; G517-E520 VanDerWaalsContact C-OE2 3.27Å; G517-E520 WeakPolarHBondContact CA-OE2 3.45Å; G517-E520 PolarHBondContact O-N 2.99Å; G517-E520 VanDerWaalsContact O-N 3.14Å; G517-V521 WeakPolarHBondContact O-CG2 3.3Å; G517-V521 PolarHBondContact O-N 3.32Å
518	L	96.9	Very high	96.5	Very high	4 Å²	4	80 Å²	80	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-55.6	-39.6	-175.6	178.9	61.7	0	0	0	113.2	F452 L460 L482 L522 L540 L541	F452-L518 HydrophobicContact CD2-CD1 3.9Å; F452-L518 HydrophobicContact CE2-CD1 3.85Å; L460-L518 HydrophobicContact CD1-CD1 4.32Å; L482-L518 HydrophobicContact CD1-CB 3.97Å; L482-L518 HydrophobicContact CD1-CD1 4.35Å; L482-L518 HydrophobicContact CG-CB 4.43Å; L518-L522 HydrophobicContact CD1-CD1 4.32Å; L518-L522 HydrophobicContact CD1-CG 4.43Å; L518-L522 HydrophobicContact CG-CD1 4.23Å; L518-L522 VanDerWaalsContact O-CG 3.27Å; L518-L522 WeakPolarHBondContact O-CG 3.46Å; L518-L522 PolarHBondContact O-N 2.61Å; L518-L540 HydrophobicContact CD2-CB 3.82Å; L518-L540 HydrophobicContact CD2-CD1 4.06Å; L518-L541 HydrophobicContact CD2-CD2 4.38Å; L518-L541 HydrophobicContact CD2-CG 4.44Å
519	Y	96.9	Very high	96.6	Very high	68 Å²	68	78.3 Å²	78.3	27%	0.267	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-45.6	179.1	163.2	-96.7	0	0	0	111.7	G517 L522 M523 L530 A533 T534 S537	G517-Y519 VanDerWaalsContact C-N 3.25Å; G517-Y519 PolarHBondContact O-N 2.9Å; Y519-L522 PolarHBondContact O-N 3.06Å; Y519-M523 HydrophobicContact CE1-CE 3.84Å; Y519-M523 HydrophobicContact CE2-CE 4.34Å; Y519-M523 HydrophobicContact CE2-CG 4.16Å; Y519-M523 HydrophobicContact CE2-SD 3.99Å; Y519-M523 PolarHBondContact O-N 2.89Å; Y519-M523 VanDerWaalsContact O-N 3.12Å; Y519-M523 WeakPolarHBondContact OH-CE 3.36Å; Y519-M523 PolarHBondContact OH-SD 2.9Å; Y519-L530 HydrophobicContact CE2-CD1 3.99Å; Y519-L530 WeakPolarHBondContact OH-CD1 3.45Å; Y519-A533 HydrophobicContact CD2-CB 4.03Å; Y519-A533 HydrophobicContact CE2-CB 4.2Å; Y519-T534 WeakPolarHBondContact CE2-OG1 3.34Å; Y519-S537 VanDerWaalsContact CA-OG 3.31Å; Y519-S537 WeakPolarHBondContact CA-OG 3.44Å; Y519-S537 PolarHBondContact N-OG 3.07Å
520	E	97.6	Very high	96.6	Very high	78 Å²	78	78.9 Å²	78.9	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-43.6	177	-65.6	77.4	-169.9	0	0	110.8	G517 L522 M523 E524	G517-E520 VanDerWaalsContact C-OE2 3.27Å; G517-E520 WeakPolarHBondContact CA-OE2 3.45Å; G517-E520 PolarHBondContact O-N 2.99Å; G517-E520 VanDerWaalsContact O-N 3.14Å; E520-L522 VanDerWaalsContact C-N 3.34Å; E520-L522 PolarHBondContact O-N 3.25Å; E520-M523 PolarHBondContact O-N 2.82Å; E520-E524 VanDerWaalsContact O-CB 3.26Å; E520-E524 WeakPolarHBondContact O-CB 3.49Å; E520-E524 WeakPolarHBondContact O-CG 3.48Å; E520-E524 PolarHBondContact O-N 3.24Å
521	V	97.7	Very high	96.6	Very high	15 Å²	15	84.2 Å²	84.2	9%	0.091	40%	0.402	C	S	.	.	H	α-helix	trans	-56.2	-48.4	175.2	169.1	0	0	0	0	110.9	L482 W516 G517 M523 K525 Y526	L482-V521 HydrophobicContact CD1-CG2 4.46Å; W516-V521 HydrophobicContact CB-CG2 4.03Å; W516-V521 HydrophobicContact CD2-CG2 3.51Å; W516-V521 HydrophobicContact CE3-CG2 4Å; W516-V521 HydrophobicContact CG-CG2 3.49Å; W516-V521 VanDerWaalsContact CG-CG2 3.49Å; G517-V521 WeakPolarHBondContact O-CG2 3.3Å; G517-V521 PolarHBondContact O-N 3.32Å; V521-M523 PolarHBondContact O-N 3.04Å; V521-K525 HydrophobicContact CG1-CB 4.49Å; V521-K525 VanDerWaalsContact O-CB 3.25Å; V521-K525 WeakPolarHBondContact O-CB 3.49Å; V521-K525 PolarHBondContact O-N 3.43Å; V521-Y526 HydrophobicContact CG1-CD2 4.11Å; V521-Y526 HydrophobicContact CG1-CE2 3.75Å; V521-Y526 PolarHBondContact O-N 2.85Å
522	L	98.3	Very high	96.8	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-41.6	-179.9	-72.3	167.4	0	0	0	112.3	F452 T456 L518 Y519 E520 Y526 E527 W528 A533 F536 S537	F452-L522 HydrophobicContact CD2-CD2 4.46Å; F452-L522 HydrophobicContact CE2-CD2 4.04Å; T456-L522 HydrophobicContact CG2-CD2 4.18Å; L518-L522 HydrophobicContact CD1-CD1 4.32Å; L518-L522 HydrophobicContact CD1-CG 4.43Å; L518-L522 HydrophobicContact CG-CD1 4.23Å; L518-L522 VanDerWaalsContact O-CG 3.27Å; L518-L522 WeakPolarHBondContact O-CG 3.46Å; L518-L522 PolarHBondContact O-N 2.61Å; Y519-L522 PolarHBondContact O-N 3.06Å; E520-L522 VanDerWaalsContact C-N 3.34Å; E520-L522 PolarHBondContact O-N 3.25Å; L522-Y526 CarbonylContact O-C 3.47Å; L522-Y526 WeakPolarHBondContact O-CB 3.27Å; L522-Y526 PolarHBondContact O-N 3.42Å; L522-E527 PolarHBondContact O-N 3.2Å; L522-W528 HydrophobicContact CB-CB 4.38Å; L522-W528 HydrophobicContact CB-CG 4.47Å; L522-W528 HydrophobicContact CD2-CD2 4.17Å; L522-W528 HydrophobicContact CD2-CE3 4.4Å; L522-W528 WeakPolarHBondContact O-CB 3.45Å; L522-W528 PolarHBondContact O-N 3.22Å; L522-A533 HydrophobicContact CB-CB 3.89Å; L522-F536 HydrophobicContact CD1-CB 4.48Å; L522-F536 HydrophobicContact CD1-CD1 3.82Å; L522-F536 HydrophobicContact CD2-CD1 4.17Å; L522-F536 HydrophobicContact CD2-CE1 4.48Å; L522-S537 WeakPolarHBondContact CD1-OG 3.44Å
523	M	97.9	Very high	97	Very high	61 Å²	61	74.3 Å²	74.3	30%	0.3	35%	0.351	S	S	.	.	H	α-helix	trans	-76.9	-44.3	179.9	-69.9	-144	-48.9	0	0	113.6	Y519 E520 V521 E527 L530 A533	Y519-M523 HydrophobicContact CE1-CE 3.84Å; Y519-M523 HydrophobicContact CE2-CE 4.34Å; Y519-M523 HydrophobicContact CE2-CG 4.16Å; Y519-M523 HydrophobicContact CE2-SD 3.99Å; Y519-M523 PolarHBondContact O-N 2.89Å; Y519-M523 VanDerWaalsContact O-N 3.12Å; Y519-M523 WeakPolarHBondContact OH-CE 3.36Å; Y519-M523 PolarHBondContact OH-SD 2.9Å; E520-M523 PolarHBondContact O-N 2.82Å; V521-M523 PolarHBondContact O-N 3.04Å; M523-E527 WeakPolarHBondContact O-CA 3.33Å; M523-E527 PolarHBondContact O-N 2.99Å; M523-L530 HydrophobicContact CE-CD1 4.46Å; M523-L530 HydrophobicContact SD-CB 4.22Å; M523-L530 HydrophobicContact SD-CD1 3.8Å; M523-A533 HydrophobicContact CG-CB 3.64Å
524	E	97.4	Very high	97.2	Very high	127 Å²	127	75.5 Å²	75.5	59%	0.593	36%	0.36	S	S	*	.	H	α-helix	trans	-86.6	-39.6	-169.6	-65.2	176.8	175.3	0	0	112.4	W516 E520	W516-E524 HydrophobicContact CZ2-CB 3.9Å; W516-E524 PolarHBondContact NE1-OE2 3.2Å; E520-E524 VanDerWaalsContact O-CB 3.26Å; E520-E524 WeakPolarHBondContact O-CB 3.49Å; E520-E524 WeakPolarHBondContact O-CG 3.48Å; E520-E524 PolarHBondContact O-N 3.24Å
525	K	97.5	Very high	97.4	Very high	105 Å²	105	70.8 Å²	70.8	46%	0.457	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-43.9	179.3	-176.1	-177.8	168.5	-164.5	0	112	D458 W516 V521	D458-K525 IonicContact OD2-NZ 3.35Å; D458-K525 PolarHBondContact OD2-NZ 3.41Å; W516-K525 HydrophobicContact CH2-CB 3.83Å; W516-K525 HydrophobicContact CH2-CG 4.48Å; W516-K525 HydrophobicContact CZ2-CB 4.13Å; V521-K525 HydrophobicContact CG1-CB 4.49Å; V521-K525 VanDerWaalsContact O-CB 3.25Å; V521-K525 WeakPolarHBondContact O-CB 3.49Å; V521-K525 PolarHBondContact O-N 3.43Å
526	Y	97.7	Very high	97.5	Very high	45 Å²	45	65.3 Å²	65.3	18%	0.176	32%	0.315	C	S	.	.	S	Bend	trans	-102.7	0.4	-173.2	-60.3	-80.1	0	0	0	113.7	F452 T456 D458 V521 L522 W528	F452-Y526 HydrophobicContact CE2-CE2 4.36Å; F452-Y526 AromaticContact CZ-CE2 3.69Å; F452-Y526 HydrophobicContact CZ-CE2 3.69Å; T456-Y526 HydrophobicContact CG2-CD1 4.11Å; T456-Y526 HydrophobicContact CG2-CD2 4.19Å; T456-Y526 HydrophobicContact CG2-CE1 4.08Å; T456-Y526 HydrophobicContact CG2-CE2 4.14Å; T456-Y526 HydrophobicContact CG2-CG 4.16Å; D458-Y526 VanDerWaalsContact CB-OH 3.27Å; D458-Y526 WeakPolarHBondContact CB-OH 3.35Å; D458-Y526 WeakPolarHBondContact OD2-CE1 3.42Å; D458-Y526 PolarHBondContact OD2-OH 2.98Å; V521-Y526 HydrophobicContact CG1-CD2 4.11Å; V521-Y526 HydrophobicContact CG1-CE2 3.75Å; V521-Y526 PolarHBondContact O-N 2.85Å; L522-Y526 CarbonylContact O-C 3.47Å; L522-Y526 WeakPolarHBondContact O-CB 3.27Å; L522-Y526 PolarHBondContact O-N 3.42Å; Y526-W528 PolarHBondContact O-N 3.36Å; Y526-W528 VanDerWaalsContact O-N 3.16Å
527	E	98	Very high	97.6	Very high	171 Å²	171	60.5 Å²	60.5	80%	0.799	30%	0.298	S	S	*	.			trans	56.7	31.2	177	-55.5	-176.2	167	0	0	113.3	L522 M523	L522-E527 PolarHBondContact O-N 3.2Å; M523-E527 WeakPolarHBondContact O-CA 3.33Å; M523-E527 PolarHBondContact O-N 2.99Å
528	W	98.1	Very high	97.7	Very high	32 Å²	32	61.7 Å²	61.7	12%	0.121	31%	0.306	C	S	.	.			trans	-67.5	141.7	179.1	-82.7	38.1	0	0	0	111.5	V184 A455 L522 Y526 L530 Q532 A533 F536	V184-W528 HydrophobicContact CG2-CH2 3.68Å; V184-W528 HydrophobicContact CG2-CZ2 4.1Å; V184-W528 HydrophobicContact CG2-CZ3 4.24Å; A455-W528 HydrophobicContact CB-CH2 3.82Å; A455-W528 HydrophobicContact CB-CZ2 3.79Å; L522-W528 HydrophobicContact CB-CB 4.38Å; L522-W528 HydrophobicContact CB-CG 4.47Å; L522-W528 HydrophobicContact CD2-CD2 4.17Å; L522-W528 HydrophobicContact CD2-CE3 4.4Å; L522-W528 WeakPolarHBondContact O-CB 3.45Å; L522-W528 PolarHBondContact O-N 3.22Å; Y526-W528 PolarHBondContact O-N 3.36Å; Y526-W528 VanDerWaalsContact O-N 3.16Å; W528-L530 PolarHBondContact O-N 3.16Å; W528-Q532 HydrophobicContact CE3-CB 3.85Å; W528-Q532 HydrophobicContact CZ3-CB 4.31Å; W528-A533 HydrophobicContact CB-CB 4.1Å; W528-F536 AromaticContact CH2-CD1 3.76Å; W528-F536 HydrophobicContact CH2-CD1 3.76Å; W528-F536 HydrophobicContact CH2-CE1 4.08Å; W528-F536 HydrophobicContact CH2-CG 4.27Å; W528-F536 HydrophobicContact CZ3-CB 3.86Å; W528-F536 AromaticContact CZ3-CD1 3.67Å; W528-F536 HydrophobicContact CZ3-CD1 3.67Å; W528-F536 HydrophobicContact CZ3-CE1 4.45Å; W528-F536 AromaticContact CZ3-CG 3.94Å; W528-F536 HydrophobicContact CZ3-CG 3.94Å
529	P	97.9	Very high	97.8	Very high	74 Å²	74	61.6 Å²	61.6	48%	0.481	31%	0.305	S	S	.	.			trans	-57.4	139.7	170.5	-24	34.1	0	0	0	111.5	E531 Q532 A533	P529-E531 VanDerWaalsContact C-N 3.25Å; P529-E531 PolarHBondContact O-N 3.17Å; P529-E531 VanDerWaalsContact O-N 3.08Å; P529-Q532 HydrophobicContact CB-CG 4.39Å; P529-Q532 PolarHBondContact O-N 3.48Å; P529-A533 PolarHBondContact O-N 2.77Å
530	L	97.1	Very high	97.9	Very high	106 Å²	106	58.3 Å²	58.3	56%	0.555	29%	0.292	S	S	*	.	H	α-helix	trans	-40.5	-51	-179.2	174.9	65.1	0	0	0	113.6	Y519 M523 W528 T534	Y519-L530 HydrophobicContact CE2-CD1 3.99Å; Y519-L530 WeakPolarHBondContact OH-CD1 3.45Å; M523-L530 HydrophobicContact CE-CD1 4.46Å; M523-L530 HydrophobicContact SD-CB 4.22Å; M523-L530 HydrophobicContact SD-CD1 3.8Å; W528-L530 PolarHBondContact O-N 3.16Å; L530-T534 WeakPolarHBondContact O-CB 3.42Å; L530-T534 PolarHBondContact O-N 3.21Å; L530-T534 PolarHBondContact O-OG1 2.84Å
531	E	96.6	Very high	97.9	Very high	137 Å²	137	58.4 Å²	58.4	64%	0.64	30%	0.295	S	S	*	.	H	α-helix	trans	-65.7	-42	-177.5	-175	175.2	-176.3	0	0	112.2	P529 T534 Q535	P529-E531 VanDerWaalsContact C-N 3.25Å; P529-E531 PolarHBondContact O-N 3.17Å; P529-E531 VanDerWaalsContact O-N 3.08Å; E531-T534 PolarHBondContact O-N 3.47Å; E531-Q535 WeakPolarHBondContact O-CB 3.3Å; E531-Q535 VanDerWaalsContact O-CG 3.24Å; E531-Q535 WeakPolarHBondContact O-CG 3.32Å; E531-Q535 PolarHBondContact O-N 3.16Å; E531-Q535 PolarHBondContact OE1-NE2 3.05Å
532	Q	96.6	Very high	98	Very high	79 Å²	79	60.3 Å²	60.3	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-69	-43.7	179.8	-63.8	-170.8	37.4	0	0	111.4	W528 P529 T534 Q535 F536	W528-Q532 HydrophobicContact CE3-CB 3.85Å; W528-Q532 HydrophobicContact CZ3-CB 4.31Å; P529-Q532 HydrophobicContact CB-CG 4.39Å; P529-Q532 PolarHBondContact O-N 3.48Å; Q532-T534 VanDerWaalsContact C-N 3.32Å; Q532-T534 PolarHBondContact O-N 2.96Å; Q532-Q535 PolarHBondContact O-N 2.88Å; Q532-F536 VanDerWaalsContact O-CB 3.27Å; Q532-F536 WeakPolarHBondContact O-CB 3.13Å; Q532-F536 PolarHBondContact O-N 3.14Å
533	A	98.2	Very high	98	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-43.2	176.3	0	0	0	0	0	111.3	Y519 L522 M523 W528 P529 S537	Y519-A533 HydrophobicContact CD2-CB 4.03Å; Y519-A533 HydrophobicContact CE2-CB 4.2Å; L522-A533 HydrophobicContact CB-CB 3.89Å; M523-A533 HydrophobicContact CG-CB 3.64Å; W528-A533 HydrophobicContact CB-CB 4.1Å; P529-A533 PolarHBondContact O-N 2.77Å; A533-S537 VanDerWaalsContact O-CB 3.26Å; A533-S537 WeakPolarHBondContact O-CB 3.25Å; A533-S537 PolarHBondContact O-N 3.4Å; A533-S537 PolarHBondContact O-OG 3.31Å
534	T	98.1	Very high	98	Very high	68 Å²	68	57.5 Å²	57.5	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-52.2	177.4	-57.7	0	0	0	0	111.4	Y519 L530 E531 Q532 F536 S537 A538	Y519-T534 WeakPolarHBondContact CE2-OG1 3.34Å; L530-T534 WeakPolarHBondContact O-CB 3.42Å; L530-T534 PolarHBondContact O-N 3.21Å; L530-T534 PolarHBondContact O-OG1 2.84Å; E531-T534 PolarHBondContact O-N 3.47Å; Q532-T534 VanDerWaalsContact C-N 3.32Å; Q532-T534 PolarHBondContact O-N 2.96Å; T534-F536 PolarHBondContact O-N 2.9Å; T534-S537 PolarHBondContact O-N 3.32Å; T534-A538 WeakPolarHBondContact O-CB 3.21Å; T534-A538 PolarHBondContact O-N 3.49Å
535	Q	98.1	Very high	98.1	Very high	73 Å²	73	54.8 Å²	54.8	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-66.6	-37.6	-176.6	-68.1	173.2	1.4	0	0	112.4	E531 Q532 F539	E531-Q535 WeakPolarHBondContact O-CB 3.3Å; E531-Q535 VanDerWaalsContact O-CG 3.24Å; E531-Q535 WeakPolarHBondContact O-CG 3.32Å; E531-Q535 PolarHBondContact O-N 3.16Å; E531-Q535 PolarHBondContact OE1-NE2 3.05Å; Q532-Q535 PolarHBondContact O-N 2.88Å; Q535-F539 PolarHBondContact O-N 3.11Å
536	F	98.5	Very high	98.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.7	-41.5	179.6	-170	-134.3	0	0	0	111.8	A451 A455 L522 W528 Q532 T534 A538 F539 L540 W562	A451-F536 HydrophobicContact CB-CE2 4.47Å; A451-F536 HydrophobicContact CB-CZ 4.4Å; A455-F536 HydrophobicContact CB-CE1 3.95Å; A455-F536 HydrophobicContact CB-CZ 3.92Å; L522-F536 HydrophobicContact CD1-CB 4.48Å; L522-F536 HydrophobicContact CD1-CD1 3.82Å; L522-F536 HydrophobicContact CD2-CD1 4.17Å; L522-F536 HydrophobicContact CD2-CE1 4.48Å; W528-F536 AromaticContact CH2-CD1 3.76Å; W528-F536 HydrophobicContact CH2-CD1 3.76Å; W528-F536 HydrophobicContact CH2-CE1 4.08Å; W528-F536 HydrophobicContact CH2-CG 4.27Å; W528-F536 HydrophobicContact CZ3-CB 3.86Å; W528-F536 AromaticContact CZ3-CD1 3.67Å; W528-F536 HydrophobicContact CZ3-CD1 3.67Å; W528-F536 HydrophobicContact CZ3-CE1 4.45Å; W528-F536 AromaticContact CZ3-CG 3.94Å; W528-F536 HydrophobicContact CZ3-CG 3.94Å; Q532-F536 VanDerWaalsContact O-CB 3.27Å; Q532-F536 WeakPolarHBondContact O-CB 3.13Å; Q532-F536 PolarHBondContact O-N 3.14Å; T534-F536 PolarHBondContact O-N 2.9Å; F536-A538 PolarHBondContact O-N 3.36Å; F536-F539 HydrophobicContact CD2-CD1 4.38Å; F536-F539 HydrophobicContact CE2-CD1 4.42Å; F536-F539 WeakPolarHBondContact O-CB 3.23Å; F536-F539 PolarHBondContact O-N 2.97Å; F536-F539 VanDerWaalsContact O-N 3.16Å; F536-L540 HydrophobicContact CD1-CD1 4.2Å; F536-L540 HydrophobicContact CD2-CD1 4.43Å; F536-L540 HydrophobicContact CD2-CG 4.25Å; F536-L540 HydrophobicContact CE1-CD1 3.7Å; F536-L540 HydrophobicContact CE2-CD1 3.97Å; F536-L540 HydrophobicContact CE2-CD2 4.07Å; F536-L540 HydrophobicContact CE2-CG 3.97Å; F536-L540 HydrophobicContact CZ-CD1 3.59Å; F536-L540 HydrophobicContact CZ-CD2 4.33Å; F536-L540 HydrophobicContact CZ-CG 4.12Å; F536-L540 PolarHBondContact O-N 2.88Å; F536-W562 HydrophobicContact CD2-CD2 4.2Å; F536-W562 AromaticContact CD2-CE2 3.47Å; F536-W562 VanDerWaalsContact CD2-CE2 3.47Å; F536-W562 AromaticContact CD2-CH2 3.91Å; F536-W562 HydrophobicContact CD2-CH2 3.91Å; F536-W562 AromaticContact CD2-CZ2 3.32Å; F536-W562 HydrophobicContact CD2-CZ2 3.32Å; F536-W562 AromaticContact CD2-NE1 3.74Å; F536-W562 AromaticContact CE2-CH2 3.67Å; F536-W562 HydrophobicContact CE2-CH2 3.67Å; F536-W562 AromaticContact CE2-CZ2 3.51Å; F536-W562 HydrophobicContact CE2-CZ2 3.51Å; F536-W562 HydrophobicContact CE2-CZ3 4.38Å; F536-W562 HydrophobicContact CG-CZ2 4.36Å
537	S	98.4	Very high	98.1	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-45.5	173.2	-57.2	0	0	0	0	111.5	Y519 L522 A533 T534 F539 L540 L541	Y519-S537 VanDerWaalsContact CA-OG 3.31Å; Y519-S537 WeakPolarHBondContact CA-OG 3.44Å; Y519-S537 PolarHBondContact N-OG 3.07Å; L522-S537 WeakPolarHBondContact CD1-OG 3.44Å; A533-S537 VanDerWaalsContact O-CB 3.26Å; A533-S537 WeakPolarHBondContact O-CB 3.25Å; A533-S537 PolarHBondContact O-N 3.4Å; A533-S537 PolarHBondContact O-OG 3.31Å; T534-S537 PolarHBondContact O-N 3.32Å; S537-F539 PolarHBondContact O-N 3.13Å; S537-L540 PolarHBondContact O-N 2.97Å; S537-L541 VanDerWaalsContact O-CG 3.25Å; S537-L541 WeakPolarHBondContact O-CG 3.27Å; S537-L541 PolarHBondContact O-N 3.44Å
538	A	98.4	Very high	98.1	Very high	47 Å²	47	42.4 Å²	42.4	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-30.7	177	0	0	0	0	0	112.9	T534 F536 P542 H560	T534-A538 WeakPolarHBondContact O-CB 3.21Å; T534-A538 PolarHBondContact O-N 3.49Å; F536-A538 PolarHBondContact O-N 3.36Å; A538-P542 WeakPolarHBondContact O-CD 3.4Å; A538-H560 PolarHBondContact O-NE2 3.14Å
539	F	98.7	Very high	98.1	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-76	-42.7	175.4	175	-111.3	0	0	0	113.1	V191 L195 Q535 F536 S537 M543 C557 H560 W562 L563	V191-F539 HydrophobicContact CG1-CE1 3.93Å; V191-F539 HydrophobicContact CG1-CZ 3.84Å; L195-F539 HydrophobicContact CD1-CZ 4.02Å; Q535-F539 PolarHBondContact O-N 3.11Å; F536-F539 HydrophobicContact CD2-CD1 4.38Å; F536-F539 HydrophobicContact CE2-CD1 4.42Å; F536-F539 WeakPolarHBondContact O-CB 3.23Å; F536-F539 PolarHBondContact O-N 2.97Å; F536-F539 VanDerWaalsContact O-N 3.16Å; S537-F539 PolarHBondContact O-N 3.13Å; F539-M543 HydrophobicContact CD1-SD 4.36Å; F539-M543 HydrophobicContact CE1-SD 3.82Å; F539-M543 HydrophobicContact CE2-SD 4.26Å; F539-M543 HydrophobicContact CZ-SD 3.78Å; F539-C557 HydrophobicContact CE2-CB 4.2Å; F539-H560 HydrophobicContact CD2-CB 3.76Å; F539-H560 AromaticContact CD2-CG 3.65Å; F539-H560 AromaticContact CD2-ND1 3.48Å; F539-H560 WeakPolarHBondContact CD2-ND1 3.24Å; F539-H560 HydrophobicContact CE2-CB 4.14Å; F539-H560 AromaticContact CG-ND1 3.99Å; F539-W562 HydrophobicContact CB-CB 3.81Å; F539-W562 HydrophobicContact CB-CD2 4.2Å; F539-W562 HydrophobicContact CB-CE3 4.3Å; F539-W562 HydrophobicContact CB-CG 4Å; F539-W562 AromaticContact CD1-CD2 3.92Å; F539-W562 HydrophobicContact CD1-CD2 3.92Å; F539-W562 AromaticContact CD1-CE3 3.29Å; F539-W562 HydrophobicContact CD1-CE3 3.29Å; F539-W562 HydrophobicContact CD1-CH2 4.42Å; F539-W562 AromaticContact CD1-CZ3 3.59Å; F539-W562 HydrophobicContact CD1-CZ3 3.59Å; F539-W562 HydrophobicContact CD2-CB 4.3Å; F539-W562 HydrophobicContact CD2-CE3 4.03Å; F539-W562 HydrophobicContact CE1-CD2 4.49Å; F539-W562 AromaticContact CE1-CE3 3.46Å; F539-W562 HydrophobicContact CE1-CE3 3.46Å; F539-W562 VanDerWaalsContact CE1-CE3 3.46Å; F539-W562 HydrophobicContact CE1-CH2 4.38Å; F539-W562 AromaticContact CE1-CZ3 3.39Å; F539-W562 HydrophobicContact CE1-CZ3 3.39Å; F539-W562 HydrophobicContact CE2-CE3 4.15Å; F539-W562 HydrophobicContact CG-CB 4.09Å; F539-W562 AromaticContact CG-CD2 4Å; F539-W562 HydrophobicContact CG-CD2 4Å; F539-W562 AromaticContact CG-CE3 3.59Å; F539-W562 HydrophobicContact CG-CE3 3.59Å; F539-W562 HydrophobicContact CG-CG 4.22Å; F539-W562 HydrophobicContact CG-CZ3 4.34Å; F539-W562 AromaticContact CZ-CE3 3.88Å; F539-W562 HydrophobicContact CZ-CE3 3.88Å; F539-W562 AromaticContact CZ-CZ3 3.99Å; F539-W562 HydrophobicContact CZ-CZ3 3.99Å; F539-L563 HydrophobicContact CE2-CD1 3.78Å; F539-L563 HydrophobicContact CE2-CG 3.89Å; F539-L563 HydrophobicContact CZ-CD1 3.87Å; F539-L563 HydrophobicContact CZ-CD2 4.31Å; F539-L563 HydrophobicContact CZ-CG 4.02Å
540	L	98.8	Very high	98.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-78.4	-37.2	-175.3	-67.1	-172.7	0	0	0	113.6	A448 A451 F452 L518 F536 S537 M543 M544	A448-L540 HydrophobicContact CB-CD2 4.14Å; A451-L540 HydrophobicContact CB-CD2 3.91Å; F452-L540 HydrophobicContact CB-CD1 4.2Å; L518-L540 HydrophobicContact CD2-CB 3.82Å; L518-L540 HydrophobicContact CD2-CD1 4.06Å; F536-L540 HydrophobicContact CD1-CD1 4.2Å; F536-L540 HydrophobicContact CD2-CD1 4.43Å; F536-L540 HydrophobicContact CD2-CG 4.25Å; F536-L540 HydrophobicContact CE1-CD1 3.7Å; F536-L540 HydrophobicContact CE2-CD1 3.97Å; F536-L540 HydrophobicContact CE2-CD2 4.07Å; F536-L540 HydrophobicContact CE2-CG 3.97Å; F536-L540 HydrophobicContact CZ-CD1 3.59Å; F536-L540 HydrophobicContact CZ-CD2 4.33Å; F536-L540 HydrophobicContact CZ-CG 4.12Å; F536-L540 PolarHBondContact O-N 2.88Å; S537-L540 PolarHBondContact O-N 2.97Å; L540-M543 HydrophobicContact CD2-SD 4.26Å; L540-M543 WeakPolarHBondContact O-CA 3.37Å; L540-M543 VanDerWaalsContact O-CB 3.27Å; L540-M543 WeakPolarHBondContact O-CB 3.34Å; L540-M543 PolarHBondContact O-N 3.16Å; L540-M544 WeakPolarHBondContact O-CG 3.27Å; L540-M544 PolarHBondContact O-N 3.39Å
541	L	98.6	Very high	98.2	Very high	79 Å²	79	47.3 Å²	47.3	41%	0.414	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-56.9	-44.2	-174.4	-70.5	169.9	0	0	0	113.6	L483 L518 S537 M543 M544 E545	L483-L541 HydrophobicContact CD2-CD2 3.6Å; L518-L541 HydrophobicContact CD2-CD2 4.38Å; L518-L541 HydrophobicContact CD2-CG 4.44Å; S537-L541 VanDerWaalsContact O-CG 3.25Å; S537-L541 WeakPolarHBondContact O-CG 3.27Å; S537-L541 PolarHBondContact O-N 3.44Å; L541-M543 PolarHBondContact O-N 3.48Å; L541-M544 CarbonylContact O-C 3.58Å; L541-M544 PolarHBondContact O-N 3.23Å; L541-E545 PolarHBondContact O-N 3.43Å
542	P	98.8	Very high	98.3	Very high	55 Å²	55	41.5 Å²	41.5	36%	0.357	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.9	-25.9	174.6	-23.6	35.1	0	0	0	114.3	A538 A552	A538-P542 WeakPolarHBondContact O-CD 3.4Å; P542-A552 HydrophobicContact CB-CB 3.92Å; P542-A552 PolarHBondContact O-N 3.47Å
543	M	98.9	Very high	98.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-77.9	-11.1	175.4	-59.8	175.8	66.9	0	0	112.5	L195 I444 T447 A448 F539 L540 L541 R551 C557	L195-M543 HydrophobicContact CD2-CE 4.29Å; I444-M543 HydrophobicContact CG2-CB 3.7Å; I444-M543 HydrophobicContact CG2-CE 3.93Å; I444-M543 HydrophobicContact CG2-CG 3.87Å; T447-M543 HydrophobicContact CG2-CE 3.81Å; A448-M543 HydrophobicContact CB-CB 3.75Å; A448-M543 HydrophobicContact CB-CE 4.14Å; A448-M543 HydrophobicContact CB-SD 4.44Å; F539-M543 HydrophobicContact CD1-SD 4.36Å; F539-M543 HydrophobicContact CE1-SD 3.82Å; F539-M543 HydrophobicContact CE2-SD 4.26Å; F539-M543 HydrophobicContact CZ-SD 3.78Å; L540-M543 HydrophobicContact CD2-SD 4.26Å; L540-M543 WeakPolarHBondContact O-CA 3.37Å; L540-M543 VanDerWaalsContact O-CB 3.27Å; L540-M543 WeakPolarHBondContact O-CB 3.34Å; L540-M543 PolarHBondContact O-N 3.16Å; L541-M543 PolarHBondContact O-N 3.48Å; M543-R551 WeakPolarHBondContact O-CD 3.25Å; M543-R551 WeakPolarHBondContact O-CG 3.48Å; M543-C557 WeakPolarHBondContact CG-SG 3.27Å
544	M	98.4	Very high	98.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-117.2	16.4	-177.4	-59	-177.1	79	0	0	112.6	W445 A448 L460 F461 L482 L483 L540 L541 Y546	W445-M544 HydrophobicContact CE3-CB 4.31Å; W445-M544 HydrophobicContact CH2-CE 4.39Å; W445-M544 HydrophobicContact CZ2-CE 4.22Å; W445-M544 HydrophobicContact CZ3-CB 4.12Å; W445-M544 WeakPolarHBondContact CZ3-O 3.47Å; A448-M544 HydrophobicContact CB-CG 3.72Å; A448-M544 HydrophobicContact CB-SD 4.25Å; L460-M544 HydrophobicContact CD2-CE 3.39Å; L460-M544 HydrophobicContact CD2-SD 3.8Å; L460-M544 HydrophobicContact CG-CE 4.44Å; F461-M544 HydrophobicContact CE2-CE 3.47Å; F461-M544 VanDerWaalsContact CE2-CE 3.47Å; F461-M544 HydrophobicContact CZ-CE 3.43Å; F461-M544 VanDerWaalsContact CZ-CE 3.43Å; L482-M544 HydrophobicContact CD2-CE 4.12Å; L483-M544 HydrophobicContact CD1-CB 3.83Å; L483-M544 HydrophobicContact CD1-CE 4.05Å; L483-M544 HydrophobicContact CD2-CB 4.4Å; L483-M544 HydrophobicContact CD2-SD 4.44Å; L540-M544 WeakPolarHBondContact O-CG 3.27Å; L540-M544 PolarHBondContact O-N 3.39Å; L541-M544 CarbonylContact O-C 3.58Å; L541-M544 PolarHBondContact O-N 3.23Å; M544-Y546 PolarHBondContact O-N 3.22Å
545	E	98.4	Very high	98.5	Very high	70 Å²	70	38.5 Å²	38.5	33%	0.327	21%	0.207	S	C	.	.			trans	-57.6	132.3	172	-179.9	58.6	-141.3	0	0	110.3	L541 I547 K550 R551	L541-E545 PolarHBondContact O-N 3.43Å; E545-I547 PolarHBondContact O-N 3.23Å; E545-K550 HydrophobicContact CG-CB 3.64Å; E545-R551 HydrophobicContact CB-CB 4.06Å; E545-R551 HydrophobicContact CB-CG 4.32Å; E545-R551 VanDerWaalsContact O-CZ 3.3Å; E545-R551 PolarHBondContact O-NE 2.87Å; E545-R551 PolarHBondContact O-NH2 2.99Å
546	Y	97.9	Very high	98.5	Very high	16 Å²	16	39.2 Å²	39.2	6%	0.063	21%	0.213	C	C	.	.	S	Bend	trans	-62.9	-45.3	-173.7	-65	-48.5	0	0	0	113	V430 I479 L483 G484 I486 P487 F490 M544 P548 R551	V430-Y546 HydrophobicContact CG1-CD1 4.18Å; I479-Y546 HydrophobicContact CG2-CD1 4.44Å; I479-Y546 HydrophobicContact CG2-CE1 3.51Å; L483-Y546 HydrophobicContact CB-CE1 4.18Å; L483-Y546 WeakPolarHBondContact CB-OH 3.45Å; L483-Y546 HydrophobicContact CD1-CE1 3.91Å; G484-Y546 PolarHBondContact O-OH 2.94Å; I486-Y546 HydrophobicContact CB-CE2 4.49Å; I486-Y546 HydrophobicContact CG1-CD1 4.16Å; I486-Y546 HydrophobicContact CG1-CD2 4.46Å; I486-Y546 HydrophobicContact CG1-CE1 3.84Å; I486-Y546 HydrophobicContact CG1-CE2 4.11Å; I486-Y546 HydrophobicContact CG1-CG 4.44Å; I486-Y546 HydrophobicContact CG2-CG 4.45Å; P487-Y546 VanDerWaalsContact CD-CD2 3.5Å; P487-Y546 HydrophobicContact CG-CD2 4.47Å; F490-Y546 VanDerWaalsContact CE1-O 3.23Å; F490-Y546 WeakPolarHBondContact CE1-O 3.25Å; F490-Y546 VanDerWaalsContact CZ-O 3.25Å; F490-Y546 WeakPolarHBondContact CZ-O 3.23Å; M544-Y546 PolarHBondContact O-N 3.22Å; Y546-P548 VanDerWaalsContact O-CD 3.27Å; Y546-P548 WeakPolarHBondContact O-CD 3.48Å; Y546-R551 PolarHBondContact O-NH2 3.14Å
547	I	98.2	Very high	98.5	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.185	22%	0.215	C	C	.	.	S	Bend	trans	-79.3	112.4	-176.9	-61.8	172.7	0	0	0	107.7	F490 E545 E549 K550 R551	F490-I547 HydrophobicContact CG-CG1 4.47Å; E545-I547 PolarHBondContact O-N 3.23Å; I547-E549 HydrophobicContact CG2-CB 4.43Å; I547-E549 WeakPolarHBondContact CG2-OE2 3.44Å; I547-E549 PolarHBondContact O-N 3.46Å; I547-E549 VanDerWaalsContact O-N 3.08Å; I547-K550 HydrophobicContact CB-CB 4.35Å; I547-K550 HydrophobicContact CB-CD 4.25Å; I547-K550 HydrophobicContact CB-CG 4.28Å; I547-K550 HydrophobicContact CD1-CD 4.14Å; I547-K550 HydrophobicContact CG2-CD 4.38Å; I547-K550 HydrophobicContact CG2-CG 4.1Å; I547-K550 PolarHBondContact O-N 3.08Å; I547-R551 PolarHBondContact O-N 3.07Å
548	P	98.3	Very high	98.5	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.052	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-54.3	-34.9	-173.4	-29.1	38	0	0	0	113.6	E431 P441 F490 Y546 K550 R551	E431-P548 HydrophobicContact CB-CG 4.1Å; E431-P548 HydrophobicContact CG-CG 4.09Å; P441-P548 HydrophobicContact CB-CB 3.98Å; P441-P548 HydrophobicContact CG-CB 4.08Å; P441-P548 VanDerWaalsContact CG-O 3.24Å; P441-P548 WeakPolarHBondContact CG-O 3.38Å; F490-P548 HydrophobicContact CE2-CG 4.47Å; F490-P548 HydrophobicContact CZ-CG 4.41Å; Y546-P548 VanDerWaalsContact O-CD 3.27Å; Y546-P548 WeakPolarHBondContact O-CD 3.48Å; P548-K550 VanDerWaalsContact C-N 3.25Å; P548-K550 PolarHBondContact O-N 2.97Å; P548-R551 WeakPolarHBondContact O-CB 3.32Å; P548-R551 PolarHBondContact O-N 3.49Å
549	E	97.6	Very high	98.4	Very high	158 Å²	158	45 Å²	45	74%	0.738	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-70.5	-19	-179.7	-59.3	74.4	-161.2	0	0	113.8	I547	I547-E549 HydrophobicContact CG2-CB 4.43Å; I547-E549 WeakPolarHBondContact CG2-OE2 3.44Å; I547-E549 PolarHBondContact O-N 3.46Å; I547-E549 VanDerWaalsContact O-N 3.08Å
550	K	98.3	Very high	98.4	Very high	146 Å²	146	47.3 Å²	47.3	64%	0.635	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-100.2	-13.2	177	-64.4	-175.1	-176	177.7	0	112.8	E545 I547 P548	E545-K550 HydrophobicContact CG-CB 3.64Å; I547-K550 HydrophobicContact CB-CB 4.35Å; I547-K550 HydrophobicContact CB-CD 4.25Å; I547-K550 HydrophobicContact CB-CG 4.28Å; I547-K550 HydrophobicContact CD1-CD 4.14Å; I547-K550 HydrophobicContact CG2-CD 4.38Å; I547-K550 HydrophobicContact CG2-CG 4.1Å; I547-K550 PolarHBondContact O-N 3.08Å; P548-K550 VanDerWaalsContact C-N 3.25Å; P548-K550 PolarHBondContact O-N 2.97Å
551	R	98.8	Very high	98.3	Very high	12 Å²	12	51.5 Å²	51.5	5%	0.045	27%	0.271	C	S	.	.	S	Bend	trans	-65.9	137.7	178.9	-167.1	179.1	-64.8	156.7	6.8	110	E431 P441 I444 M543 E545 Y546 I547 P548 S553	E431-R551 IonicContact OE1-CZ 2.71Å; E431-R551 IonicContact OE1-NH1 3.79Å; E431-R551 PolarHBondContact OE1-NH1 2.88Å; E431-R551 IonicContact OE1-NH2 3.78Å; E431-R551 IonicContact OE2-CZ 3.08Å; E431-R551 IonicContact OE2-NH1 3.34Å; E431-R551 PolarHBondContact OE2-NH1 3.43Å; E431-R551 IonicContact OE2-NH2 2.64Å; E431-R551 PolarHBondContact OE2-NH2 3Å; P441-R551 HydrophobicContact CB-CB 4.26Å; P441-R551 WeakPolarHBondContact O-CD 3.06Å; P441-R551 PolarHBondContact O-NH1 2.73Å; I444-R551 HydrophobicContact CG2-CG 4.38Å; M543-R551 WeakPolarHBondContact O-CD 3.25Å; M543-R551 WeakPolarHBondContact O-CG 3.48Å; E545-R551 HydrophobicContact CB-CB 4.06Å; E545-R551 HydrophobicContact CB-CG 4.32Å; E545-R551 VanDerWaalsContact O-CZ 3.3Å; E545-R551 PolarHBondContact O-NE 2.87Å; E545-R551 PolarHBondContact O-NH2 2.99Å; Y546-R551 PolarHBondContact O-NH2 3.14Å; I547-R551 PolarHBondContact O-N 3.07Å; P548-R551 WeakPolarHBondContact O-CB 3.32Å; P548-R551 PolarHBondContact O-N 3.49Å; R551-S553 PolarHBondContact O-N 3.47Å
552	A	98.8	Very high	98.3	Very high	15 Å²	15	48 Å²	48	12%	0.124	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-53.6	136.6	179.5	0	0	0	0	0	110.6	I444 P542 D556	I444-A552 WeakPolarHBondContact CG2-O 3.31Å; P542-A552 HydrophobicContact CB-CB 3.92Å; P542-A552 PolarHBondContact O-N 3.47Å; A552-D556 HydrophobicContact CB-CB 4.25Å
553	S	98.9	Very high	98.1	Very high	49 Å²	49	45.4 Å²	45.4	34%	0.343	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-78.8	166.1	171.2	71.4	0	0	0	0	110.8	R551 A555 D556 C557	R551-S553 PolarHBondContact O-N 3.47Å; S553-A555 PolarHBondContact O-N 3.43Å; S553-A555 PolarHBondContact OG-N 3Å; S553-D556 VanDerWaalsContact CB-OD2 3.32Å; S553-D556 WeakPolarHBondContact CB-OD2 3.45Å; S553-D556 PolarHBondContact N-OD2 2.97Å; S553-D556 PolarHBondContact O-N 3.12Å; S553-D556 VanDerWaalsContact O-N 3.08Å; S553-D556 PolarHBondContact OG-N 3.43Å; S553-D556 PolarHBondContact OG-OD2 2.79Å; S553-C557 PolarHBondContact O-N 3.02Å; S553-C557 PolarHBondContact O-SG 2.95Å
554	A	98.8	Very high	97.1	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-55.7	-38	173	0	0	0	0	0	112.3	L195 L198 D199 I444 C557 L558	L195-A554 HydrophobicContact CD2-CB 4.24Å; L198-A554 HydrophobicContact CB-CB 4.1Å; D199-A554 HydrophobicContact CB-CB 3.81Å; I444-A554 HydrophobicContact CD1-CB 3.89Å; A554-C557 PolarHBondContact O-N 3.24Å; A554-L558 WeakPolarHBondContact O-CD1 3.39Å; A554-L558 VanDerWaalsContact O-CG 3.23Å; A554-L558 WeakPolarHBondContact O-CG 3.26Å; A554-L558 PolarHBondContact O-N 3.3Å
555	A	98.4	Very high	95.1	Very high	32 Å²	32	57.1 Å²	57.1	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-39.2	176.4	0	0	0	0	0	112.8	S553	S553-A555 PolarHBondContact O-N 3.43Å; S553-A555 PolarHBondContact OG-N 3Å
556	D	98.4	Very high	95	Very high	88 Å²	88	56.5 Å²	56.5	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-67.3	-45.3	176.5	-57.1	-46.5	0	0	0	110.5	A552 S553 L558 Q559	A552-D556 HydrophobicContact CB-CB 4.25Å; S553-D556 VanDerWaalsContact CB-OD2 3.32Å; S553-D556 WeakPolarHBondContact CB-OD2 3.45Å; S553-D556 PolarHBondContact N-OD2 2.97Å; S553-D556 PolarHBondContact O-N 3.12Å; S553-D556 VanDerWaalsContact O-N 3.08Å; S553-D556 PolarHBondContact OG-N 3.43Å; S553-D556 PolarHBondContact OG-OD2 2.79Å; D556-L558 VanDerWaalsContact C-N 3.28Å; D556-L558 PolarHBondContact O-N 3.48Å; D556-Q559 PolarHBondContact O-N 3.25Å
557	C	98.7	Very high	94.8	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-39.3	177.6	-63.2	0	0	0	0	112.3	L195 F539 M543 S553 A554 Q559 H560	L195-C557 HydrophobicContact CD1-CB 3.58Å; L195-C557 HydrophobicContact CD2-CB 3.92Å; L195-C557 HydrophobicContact CG-CB 4.36Å; F539-C557 HydrophobicContact CE2-CB 4.2Å; M543-C557 WeakPolarHBondContact CG-SG 3.27Å; S553-C557 PolarHBondContact O-N 3.02Å; S553-C557 PolarHBondContact O-SG 2.95Å; A554-C557 PolarHBondContact O-N 3.24Å; C557-Q559 PolarHBondContact O-N 2.72Å; C557-H560 VanDerWaalsContact O-CB 3.23Å; C557-H560 WeakPolarHBondContact O-CB 3.21Å; C557-H560 PolarHBondContact O-N 2.91Å
558	L	98.3	Very high	94.6	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.105	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-21.2	178.1	-76.3	165.7	0	0	0	113.6	R192 L195 H196 D199 A554 D556 N564	R192-L558 HydrophobicContact CG-CD2 3.83Å; R192-L558 WeakPolarHBondContact O-CD2 3.26Å; L195-L558 HydrophobicContact CB-CD1 4.38Å; L195-L558 HydrophobicContact CB-CD2 3.83Å; L195-L558 HydrophobicContact CB-CG 3.85Å; H196-L558 VanDerWaalsContact CD2-CD1 3.42Å; H196-L558 WeakPolarHBondContact CD2-CD1 3.38Å; D199-L558 HydrophobicContact CB-CD1 4.38Å; A554-L558 WeakPolarHBondContact O-CD1 3.39Å; A554-L558 VanDerWaalsContact O-CG 3.23Å; A554-L558 WeakPolarHBondContact O-CG 3.26Å; A554-L558 PolarHBondContact O-N 3.3Å; D556-L558 VanDerWaalsContact C-N 3.28Å; D556-L558 PolarHBondContact O-N 3.48Å; L558-N564 PolarHBondContact O-ND2 3.22Å
559	Q	97.7	Very high	94.4	Very high	150 Å²	150	62.9 Å²	62.9	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.6	175.3	-63.8	177	28.2	0	0	112.6	D556 C557	D556-Q559 PolarHBondContact O-N 3.25Å; C557-Q559 PolarHBondContact O-N 2.72Å
560	H	98.1	Very high	94.2	Very high	49 Å²	49	57 Å²	57	23%	0.227	32%	0.317	C	S	.	.	S	Bend	trans	-68.3	135.1	-174.6	-167.3	-91.4	0	0	0	112	A538 F539 C557 W562 L563	A538-H560 PolarHBondContact O-NE2 3.14Å; F539-H560 HydrophobicContact CD2-CB 3.76Å; F539-H560 AromaticContact CD2-CG 3.65Å; F539-H560 AromaticContact CD2-ND1 3.48Å; F539-H560 WeakPolarHBondContact CD2-ND1 3.24Å; F539-H560 HydrophobicContact CE2-CB 4.14Å; F539-H560 AromaticContact CG-ND1 3.99Å; C557-H560 VanDerWaalsContact O-CB 3.23Å; C557-H560 WeakPolarHBondContact O-CB 3.21Å; C557-H560 PolarHBondContact O-N 2.91Å; H560-W562 WeakPolarHBondContact ND1-CB 3.44Å; H560-W562 PolarHBondContact ND1-N 3.08Å; H560-W562 PolarHBondContact O-N 3.47Å; H560-W562 VanDerWaalsContact O-N 3.08Å; H560-L563 PolarHBondContact O-N 3.47Å; H560-L563 VanDerWaalsContact O-N 3.07Å
561	P	96.6	Very high	94	Very high	88 Å²	88	51.1 Å²	51.1	57%	0.571	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27	-176.2	-26.8	34.7	0	0	0	114.8	L563 N564 P565	P561-L563 PolarHBondContact O-N 3.37Å; P561-N564 CarbonylContact O-C 3.1Å; P561-N564 PolarHBondContact O-N 3.26Å; P561-N564 VanDerWaalsContact O-N 3.14Å; P561-P565 WeakPolarHBondContact O-CA 3.35Å; P561-P565 VanDerWaalsContact O-N 3.13Å
562	W	97.6	Very high	93.6	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.027	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-35.7	177.3	-177.2	81.2	0	0	0	112.7	V184 V187 K188 V191 F536 F539 H560	V184-W562 HydrophobicContact CG1-CZ2 4.26Å; V187-W562 HydrophobicContact CG1-CH2 4.19Å; K188-W562 HydrophobicContact CB-CH2 4.33Å; K188-W562 HydrophobicContact CB-CZ3 4.48Å; K188-W562 HydrophobicContact CD-CD2 4.46Å; K188-W562 HydrophobicContact CD-CZ2 4.34Å; K188-W562 VanDerWaalsContact CD-O 3.25Å; K188-W562 WeakPolarHBondContact CD-O 3.17Å; K188-W562 VanDerWaalsContact CE-CE2 3.4Å; K188-W562 VanDerWaalsContact CE-NE1 3.32Å; K188-W562 WeakPolarHBondContact CE-O 2.84Å; K188-W562 HydrophobicContact CG-CD2 4.03Å; K188-W562 HydrophobicContact CG-CE3 4.07Å; K188-W562 HydrophobicContact CG-CH2 3.51Å; K188-W562 HydrophobicContact CG-CZ2 3.46Å; K188-W562 VanDerWaalsContact CG-CZ2 3.46Å; K188-W562 HydrophobicContact CG-CZ3 3.83Å; K188-W562 PolarHBondContact NZ-O 3.35Å; V191-W562 HydrophobicContact CB-CZ3 4.5Å; V191-W562 HydrophobicContact CG1-CZ3 4.45Å; F536-W562 HydrophobicContact CD2-CD2 4.2Å; F536-W562 AromaticContact CD2-CE2 3.47Å; F536-W562 VanDerWaalsContact CD2-CE2 3.47Å; F536-W562 AromaticContact CD2-CH2 3.91Å; F536-W562 HydrophobicContact CD2-CH2 3.91Å; F536-W562 AromaticContact CD2-CZ2 3.32Å; F536-W562 HydrophobicContact CD2-CZ2 3.32Å; F536-W562 AromaticContact CD2-NE1 3.74Å; F536-W562 AromaticContact CE2-CH2 3.67Å; F536-W562 HydrophobicContact CE2-CH2 3.67Å; F536-W562 AromaticContact CE2-CZ2 3.51Å; F536-W562 HydrophobicContact CE2-CZ2 3.51Å; F536-W562 HydrophobicContact CE2-CZ3 4.38Å; F536-W562 HydrophobicContact CG-CZ2 4.36Å; F539-W562 HydrophobicContact CB-CB 3.81Å; F539-W562 HydrophobicContact CB-CD2 4.2Å; F539-W562 HydrophobicContact CB-CE3 4.3Å; F539-W562 HydrophobicContact CB-CG 4Å; F539-W562 AromaticContact CD1-CD2 3.92Å; F539-W562 HydrophobicContact CD1-CD2 3.92Å; F539-W562 AromaticContact CD1-CE3 3.29Å; F539-W562 HydrophobicContact CD1-CE3 3.29Å; F539-W562 HydrophobicContact CD1-CH2 4.42Å; F539-W562 AromaticContact CD1-CZ3 3.59Å; F539-W562 HydrophobicContact CD1-CZ3 3.59Å; F539-W562 HydrophobicContact CD2-CB 4.3Å; F539-W562 HydrophobicContact CD2-CE3 4.03Å; F539-W562 HydrophobicContact CE1-CD2 4.49Å; F539-W562 AromaticContact CE1-CE3 3.46Å; F539-W562 HydrophobicContact CE1-CE3 3.46Å; F539-W562 VanDerWaalsContact CE1-CE3 3.46Å; F539-W562 HydrophobicContact CE1-CH2 4.38Å; F539-W562 AromaticContact CE1-CZ3 3.39Å; F539-W562 HydrophobicContact CE1-CZ3 3.39Å; F539-W562 HydrophobicContact CE2-CE3 4.15Å; F539-W562 HydrophobicContact CG-CB 4.09Å; F539-W562 AromaticContact CG-CD2 4Å; F539-W562 HydrophobicContact CG-CD2 4Å; F539-W562 AromaticContact CG-CE3 3.59Å; F539-W562 HydrophobicContact CG-CE3 3.59Å; F539-W562 HydrophobicContact CG-CG 4.22Å; F539-W562 HydrophobicContact CG-CZ3 4.34Å; F539-W562 AromaticContact CZ-CE3 3.88Å; F539-W562 HydrophobicContact CZ-CE3 3.88Å; F539-W562 AromaticContact CZ-CZ3 3.99Å; F539-W562 HydrophobicContact CZ-CZ3 3.99Å; H560-W562 WeakPolarHBondContact ND1-CB 3.44Å; H560-W562 PolarHBondContact ND1-N 3.08Å; H560-W562 PolarHBondContact O-N 3.47Å; H560-W562 VanDerWaalsContact O-N 3.08Å
563	L	94.8	Very high	93.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-25.2	177.2	-69.2	-179.8	0	0	0	113.3	K188 V191 R192 L195 F539 H560 P561	K188-L563 HydrophobicContact CB-CD2 4.3Å; K188-L563 WeakPolarHBondContact O-CD2 3.49Å; V191-L563 HydrophobicContact CG1-CD2 4.43Å; R192-L563 HydrophobicContact CB-CD1 4.36Å; R192-L563 HydrophobicContact CB-CD2 4.18Å; R192-L563 HydrophobicContact CG-CD1 4.42Å; R192-L563 PolarHBondContact NE-O 3.24Å; R192-L563 PolarHBondContact NH2-O 3.48Å; L195-L563 HydrophobicContact CD1-CD1 3.65Å; F539-L563 HydrophobicContact CE2-CD1 3.78Å; F539-L563 HydrophobicContact CE2-CG 3.89Å; F539-L563 HydrophobicContact CZ-CD1 3.87Å; F539-L563 HydrophobicContact CZ-CD2 4.31Å; F539-L563 HydrophobicContact CZ-CG 4.02Å; H560-L563 PolarHBondContact O-N 3.47Å; H560-L563 VanDerWaalsContact O-N 3.07Å; P561-L563 PolarHBondContact O-N 3.37Å
564	N	78.8	Confident	92.7	Very high	87 Å²	87	57.5 Å²	57.5	47%	0.465	33%	0.328	S	S	.	.			trans	-129.7	71.7	-177.6	-54.8	-43.4	0	0	0	109.6	L558 P561	L558-N564 PolarHBondContact O-ND2 3.22Å; P561-N564 CarbonylContact O-C 3.1Å; P561-N564 PolarHBondContact O-N 3.26Å; P561-N564 VanDerWaalsContact O-N 3.14Å
565	P	56.9	Low	92.2	Very high	162 Å²	162	62.5 Å²	62.5	100%	1.052	36%	0.356	S	S	*	.			trans	-68.4	0	-176.4	28.8	-35	0	0	0	113.4	P561	P561-P565 WeakPolarHBondContact O-CA 3.35Å; P561-P565 VanDerWaalsContact O-N 3.13Å

Retrieved 565 of 565 residues in 186.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).