A0A2K5Y0G8_MANLE Loading...

serine C-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A2K5Y0G8, Species MANLE (Mandrillus leucophaeus, Drill), Gene SPTLC2, Length 560 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	33.8	Very low	25.5	Very low	249 Å²	249	147.7 Å²	147.7	100%	1.227	90%	0.897	S	S	*	*				0	111.2	0	-75.6	173.2	177.4	0	0	108.4
2	R	21.9	Very low	25.3	Very low	245 Å²	245	154.8 Å²	154.8	93%	0.925	90%	0.895	S	S	*	*			trans	-94.5	146.9	166.8	-71.7	-179	179.9	-175.2	-0.5	108.1
3	P	29	Very low	25.1	Very low	130 Å²	130	152.3 Å²	152.3	84%	0.844	88%	0.884	S	S	*	*			trans	-102.8	136.7	148.5	19.6	-2.4	0	0	0	110.2
4	G	24.3	Very low	25.1	Very low	70 Å²	70	151.4 Å²	151.4	72%	0.722	88%	0.881	S	S	*	*			trans	-85.2	-170.3	-179.1	0	0	0	0	0	114.8
5	P	32.2	Very low	24.9	Very low	134 Å²	134	157.7 Å²	157.7	87%	0.87	89%	0.885	S	S	*	*			trans	-100.6	150.1	-152.3	37.5	-32.6	0	0	0	114
6	G	24.3	Very low	24.9	Very low	84 Å²	84	152.9 Å²	152.9	87%	0.866	87%	0.871	S	S	*	*			trans	-105.5	115	168.5	0	0	0	0	0	110.9
7	G	23.1	Very low	24.9	Very low	84 Å²	84	153.9 Å²	153.9	87%	0.866	87%	0.873	S	S	*	*			trans	-84.5	161.5	173.5	0	0	0	0	0	112.9
8	C	22.4	Very low	24.8	Very low	136 Å²	136	149.5 Å²	149.5	92%	0.919	87%	0.867	S	S	*	*			trans	-136.7	123.2	158.8	-163.4	0	0	0	0	109.2
9	C	22.9	Very low	24.8	Very low	116 Å²	116	148.8 Å²	148.8	78%	0.784	87%	0.87	S	S	*	*			trans	-83.2	141.1	179.3	-82.1	0	0	0	0	111.3
10	C	23.7	Very low	24.8	Very low	141 Å²	141	148.5 Å²	148.5	95%	0.953	87%	0.87	S	S	*	*			trans	-140.1	122.6	145.9	-92.3	0	0	0	0	109.5
11	R	22.5	Very low	24.7	Very low	236 Å²	236	145.9 Å²	145.9	89%	0.891	87%	0.865	S	S	*	*			trans	-97.9	159	-177.7	-90.3	-177.9	170	-174.6	-2.8	111.3
12	R	23.3	Very low	24.3	Very low	232 Å²	232	142 Å²	142	88%	0.875	85%	0.849	S	S	*	*			trans	92.8	138	159.9	-72.3	-173.9	169.9	168.8	-2.7	116
13	T	23.3	Very low	24.4	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	84%	0.839	S	S	*	*			cis	-158.2	142.4	14.5	-2.2	0	0	0	0	110.5
14	V	24.8	Very low	24.1	Very low	139 Å²	139	135.5 Å²	135.5	84%	0.842	84%	0.837	S	S	*	*			trans	-75	130.4	165.2	175	0	0	0	0	109
15	R	22.8	Very low	24	Very low	247 Å²	247	139.2 Å²	139.2	93%	0.932	85%	0.845	S	S	*	*			trans	-135.6	123	156.4	-92.7	-170.6	176.3	-175	-0.8	109.2
16	A	24.4	Very low	23.6	Very low	81 Å²	81	143.1 Å²	143.1	67%	0.669	84%	0.843	S	S	*	*			trans	-90.5	160.6	172	0	0	0	0	0	110.9
17	N	24.7	Very low	23.6	Very low	170 Å²	170	147 Å²	147	91%	0.909	84%	0.843	S	S	*	*			trans	92.4	118.3	161.8	-63.5	-6.5	0	0	0	119.1
18	G	23.4	Very low	23.7	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	84%	0.838	S	S	*	*			trans	173	72	166.4	0	0	0	0	0	110.8
19	C	23.6	Very low	23.7	Very low	136 Å²	136	151.1 Å²	151.1	92%	0.919	84%	0.838	S	S	*	*			trans	-58.4	131.4	171.7	-71	0	0	0	0	110.6
20	V	24.8	Very low	23.8	Very low	142 Å²	142	151.7 Å²	151.7	86%	0.861	84%	0.837	S	S	*	*			trans	-133.9	123.7	157.8	-174.8	0	0	0	0	107.8
21	A	23.7	Very low	23.7	Very low	94 Å²	94	156.4 Å²	156.4	78%	0.777	84%	0.835	S	S	*	*			trans	-62.7	137.9	-170	0	0	0	0	0	113.4	G23	A21-G23 PolarHBondContact O-N 2.86Å
22	N	24.6	Very low	23.8	Very low	168 Å²	168	151.6 Å²	151.6	90%	0.898	83%	0.832	S	S	*	*			trans	-71.4	114.5	162.5	-79	-26.7	0	0	0	108.6
23	G	23.8	Very low	23.9	Very low	69 Å²	69	145.4 Å²	145.4	71%	0.711	83%	0.825	S	S	*	*			trans	-70.8	135.6	169.9	0	0	0	0	0	111.4	A21	A21-G23 PolarHBondContact O-N 2.86Å
24	E	22.7	Very low	24.1	Very low	170 Å²	170	145 Å²	145	79%	0.794	83%	0.833	S	S	*	*			trans	-60.6	127	176.2	-63	178.8	145.4	0	0	111.7
25	V	23.8	Very low	24.2	Very low	148 Å²	148	142.7 Å²	142.7	90%	0.897	83%	0.829	S	S	*	*			trans	-90.8	103.4	166.2	179.5	0	0	0	0	107.4
26	R	22.9	Very low	24.4	Very low	216 Å²	216	135.5 Å²	135.5	82%	0.815	82%	0.823	S	S	*	*			trans	-90	137.7	170.4	-90.4	-176.3	172.9	-174.7	-1.5	111
27	N	25.3	Very low	24.5	Very low	164 Å²	164	136.6 Å²	136.6	88%	0.877	83%	0.831	S	S	*	*			trans	-23	124.5	170.7	-64.5	-21.8	0	0	0	116.4
28	G	24.6	Very low	24.6	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	83%	0.828	S	S	*	*			trans	-125.3	91.6	165.6	0	0	0	0	0	110.7
29	Y	21.5	Very low	24.8	Very low	235 Å²	235	134.5 Å²	134.5	92%	0.922	83%	0.831	S	S	*	*			trans	-69.3	128.8	161.4	-111.4	-103.1	0	0	0	108
30	V	25	Very low	25.2	Very low	127 Å²	127	132.9 Å²	132.9	77%	0.77	83%	0.827	S	S	*	*			trans	-119.2	111.2	166.6	179.4	0	0	0	0	108.3	T32	V30-T32 PolarHBondContact O-N 2.84Å
31	R	22.3	Very low	25.4	Very low	240 Å²	240	131.5 Å²	131.5	91%	0.906	82%	0.823	S	S	*	*			trans	-66.6	116.4	164.6	-90.4	178.6	165	175.7	-5.4	108.4
32	T	25.2	Very low	25.6	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	82%	0.824	S	S	*	*			trans	-83	115.2	162.7	27.3	0	0	0	0	109.1	V30	V30-T32 PolarHBondContact O-N 2.84Å
33	S	25.4	Very low	25.7	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	82%	0.823	S	S	*	*			trans	-72.3	131.5	169.8	54.7	0	0	0	0	110.4	A35	S33-A35 PolarHBondContact O-N 3.46Å
34	A	27.7	Very low	25.9	Very low	113 Å²	113	138.9 Å²	138.9	93%	0.934	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	33.4	-171.3	0	0	0	0	0	116.7
35	A	26.7	Very low	26.3	Very low	92 Å²	92	139.3 Å²	139.3	76%	0.76	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	1.3	-175.1	0	0	0	0	0	115.6	S33	S33-A35 PolarHBondContact O-N 3.46Å
36	A	25.4	Very low	26.8	Very low	96 Å²	96	138.6 Å²	138.6	79%	0.793	82%	0.819	S	S	*	*	S	Bend	trans	-106.9	4.4	-179.6	0	0	0	0	0	114.5
37	A	26.6	Very low	27.2	Very low	103 Å²	103	134.4 Å²	134.4	85%	0.851	82%	0.817	S	S	*	*	S	Bend	trans	-85.9	0.4	-175.7	0	0	0	0	0	114.7
38	A	27.7	Very low	27.6	Very low	101 Å²	101	135.7 Å²	135.7	84%	0.835	82%	0.818	S	S	*	*	S	Bend	trans	-104.6	8.5	-167.2	0	0	0	0	0	116.4
39	A	28	Very low	28.3	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	82%	0.823	S	S	*	*	S	Bend	trans	-140.2	30.8	-171.2	0	0	0	0	0	116.5
40	A	30.8	Very low	29.2	Very low	102 Å²	102	130.4 Å²	130.4	84%	0.843	80%	0.798	S	S	*	*			trans	-146.6	68.5	174.4	0	0	0	0	0	113.4
41	S	29	Very low	29.9	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	79%	0.793	S	S	*	*			trans	-158	79.1	161.7	64.2	0	0	0	0	112
42	Q	28.3	Very low	31	Very low	170 Å²	170	119.9 Å²	119.9	79%	0.794	77%	0.77	S	S	*	*			trans	-129.4	85.1	149.2	-80.6	-167.3	-9.5	0	0	107.9
43	I	27.4	Very low	31.9	Very low	169 Å²	169	121.4 Å²	121.4	87%	0.867	76%	0.762	S	S	*	*			trans	-102.7	94	160.7	-60.6	179.4	0	0	0	105.1
44	H	28.2	Very low	32.6	Very low	147 Å²	147	125.2 Å²	125.2	68%	0.681	77%	0.765	S	S	*	*			trans	-78.3	130.9	169	-87.2	-71.3	0	0	0	109.9
45	H	30.7	Very low	33.6	Very low	180 Å²	180	127.4 Å²	127.4	83%	0.833	75%	0.749	S	S	*	*			trans	121.9	86	158.7	-71.2	-66.8	0	0	0	115.1
46	V	33.8	Very low	34.6	Very low	132 Å²	132	127.8 Å²	127.8	80%	0.8	74%	0.744	S	S	*	*	S	Bend	trans	-145.2	141.1	139	-176.7	0	0	0	0	107.5
47	T	31.5	Very low	36.1	Very low	129 Å²	129	126.2 Å²	126.2	79%	0.791	72%	0.719	S	S	*	*			trans	-21.8	138.1	-171.6	31.3	0	0	0	0	121.6	N49	T47-N49 PolarHBondContact O-N 2.76Å
48	Q	34.6	Very low	37.2	Very low	191 Å²	191	127.5 Å²	127.5	89%	0.893	71%	0.712	S	S	*	*	S	Bend	trans	-72.3	87.9	163.1	-71.8	177.8	-23.1	0	0	110.3
49	N	38.3	Very low	38.9	Very low	159 Å²	159	124.8 Å²	124.8	85%	0.85	68%	0.682	S	S	*	*			trans	173.9	104.2	147.7	-94.3	-18.9	0	0	0	109	T47	T47-N49 PolarHBondContact O-N 2.76Å
50	G	39.6	Very low	40.3	Very low	38 Å²	38	124.4 Å²	124.4	39%	0.392	68%	0.679	S	S	.	*			trans	177.8	79.1	177.3	0	0	0	0	0	111.3	L52 Y53	G50-L52 PolarHBondContact O-N 2.68Å; G50-L52 VanDerWaalsContact O-N 3.16Å; G50-Y53 PolarHBondContact O-N 3Å
51	G	41.4	Very low	42.2	Very low	65 Å²	65	122.9 Å²	122.9	67%	0.67	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-26.4	171.8	0	0	0	0	0	112.9
52	L	44.3	Very low	44.7	Very low	80 Å²	80	119 Å²	119	42%	0.419	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-29.2	175.4	-86.1	134.7	0	0	0	114.1	G50 K54 R55	G50-L52 PolarHBondContact O-N 2.68Å; G50-L52 VanDerWaalsContact O-N 3.16Å; L52-K54 PolarHBondContact O-N 3.43Å; L52-R55 PolarHBondContact O-N 3.4Å
53	Y	44.2	Very low	47.2	Very low	169 Å²	169	119 Å²	119	66%	0.663	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-19.5	176.4	-174.3	-101.7	0	0	0	112.7	G50 R55 P326	G50-Y53 PolarHBondContact O-N 3Å; Y53-R55 VanDerWaalsContact C-N 3.27Å; Y53-R55 PolarHBondContact O-N 3.29Å; Y53-P326 HydrophobicContact CE2-CB 4.47Å
54	K	41.1	Very low	49.8	Very low	182 Å²	182	112.1 Å²	112.1	79%	0.791	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-10.1	175.5	-67.4	-173	179.1	-178.4	0	113.4	L52	L52-K54 PolarHBondContact O-N 3.43Å
55	R	48	Very low	52.7	Low	158 Å²	158	105.6 Å²	105.6	60%	0.596	56%	0.559	S	S	*	*	S	Bend	trans	-76.8	132.1	174.5	-67.1	-175.8	177.8	-177.9	-1.6	109	L52 Y53 F57	L52-R55 PolarHBondContact O-N 3.4Å; Y53-R55 VanDerWaalsContact C-N 3.27Å; Y53-R55 PolarHBondContact O-N 3.29Å; R55-F57 PolarHBondContact O-N 2.7Å
56	P	47.4	Very low	55.5	Low	101 Å²	101	103.8 Å²	103.8	66%	0.656	55%	0.553	S	S	*	*			trans	-59.5	122.5	172.4	23.1	-30.1	0	0	0	109.2	N58	P56-N58 PolarHBondContact O-N 2.71Å
57	F	56.5	Low	58.2	Low	62 Å²	62	103.4 Å²	103.4	27%	0.272	55%	0.546	S	S	.	.			trans	-74	78.5	174.5	-168	-93.5	0	0	0	108.9	R55 E59 I322 R324 F361	R55-F57 PolarHBondContact O-N 2.7Å; F57-E59 HydrophobicContact CD1-CG 4.29Å; F57-E59 HydrophobicContact CE1-CB 4.36Å; F57-E59 VanDerWaalsContact CE1-CD 3.44Å; F57-E59 HydrophobicContact CE1-CG 3.64Å; F57-E59 HydrophobicContact CZ-CG 3.98Å; F57-E59 WeakPolarHBondContact CZ-OE1 3.31Å; F57-E59 PolarHBondContact O-N 3.32Å; F57-I322 HydrophobicContact CZ-CB 4.33Å; F57-I322 WeakPolarHBondContact CZ-O 3.4Å; F57-R324 HydrophobicContact CD1-CG 3.86Å; F57-R324 HydrophobicContact CE1-CG 3.49Å; F57-R324 VanDerWaalsContact CE1-CG 3.49Å; F57-R324 HydrophobicContact CZ-CG 4.08Å; F57-F361 HydrophobicContact CD2-CE1 4.3Å; F57-F361 HydrophobicContact CD2-CZ 4.35Å; F57-F361 HydrophobicContact CE2-CE1 4.26Å; F57-F361 AromaticContact CE2-CZ 3.87Å; F57-F361 HydrophobicContact CE2-CZ 3.87Å
58	N	51.2	Low	61.1	Low	131 Å²	131	98 Å²	98	70%	0.701	51%	0.512	S	S	*	.			trans	-90.2	85.5	-177.2	-79.7	-11.7	0	0	0	110.6	P56	P56-N58 PolarHBondContact O-N 2.71Å
59	E	63.3	Low	63.9	Low	44 Å²	44	89.6 Å²	89.6	21%	0.206	48%	0.476	C	S	.	.			trans	-95.8	81.9	161	-70	-171.4	165.1	0	0	108.7	F57 F61 N281 I322 N461	F57-E59 HydrophobicContact CD1-CG 4.29Å; F57-E59 HydrophobicContact CE1-CB 4.36Å; F57-E59 VanDerWaalsContact CE1-CD 3.44Å; F57-E59 HydrophobicContact CE1-CG 3.64Å; F57-E59 HydrophobicContact CZ-CG 3.98Å; F57-E59 WeakPolarHBondContact CZ-OE1 3.31Å; F57-E59 PolarHBondContact O-N 3.32Å; E59-F61 HydrophobicContact CB-CZ 4.38Å; E59-N281 PolarHBondContact OE2-ND2 3.17Å; E59-I322 PolarHBondContact OE1-N 3.07Å; E59-N461 PolarHBondContact OE1-ND2 3.16Å
60	A	57.1	Low	66.5	Low	91 Å²	91	85.4 Å²	85.4	75%	0.752	46%	0.456	S	S	*	.			trans	-115.6	118.9	170.6	0	0	0	0	0	108.5
61	F	70.6	Confident	69.1	Low	71 Å²	71	87.2 Å²	87.2	31%	0.311	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-97.1	137.8	174.4	-51.5	-53.9	0	0	0	108.8	E59 E63 Y459 G460	E59-F61 HydrophobicContact CB-CZ 4.38Å; F61-E63 PolarHBondContact O-N 3.42Å; F61-E63 VanDerWaalsContact O-N 3.16Å; F61-Y459 HydrophobicContact CB-CD1 3.95Å; F61-Y459 HydrophobicContact CB-CE1 3.93Å; F61-Y459 HydrophobicContact CD1-CD1 4.08Å; F61-Y459 HydrophobicContact CD1-CG 4.24Å; F61-Y459 HydrophobicContact CG-CD1 4.03Å; F61-Y459 HydrophobicContact CG-CE1 4.42Å; F61-Y459 HydrophobicContact CG-CG 4.28Å; F61-G460 WeakPolarHBondContact CE1-O 2.97Å
62	E	80.7	Confident	71.6	Confident	31 Å²	31	84.1 Å²	84.1	15%	0.145	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-62.2	120.5	167.9	-172.8	174.9	171.6	0	0	108.2	I457 S538 R539 H540	E62-I457 HydrophobicContact CB-CD1 4.39Å; E62-I457 HydrophobicContact CB-CG1 4.46Å; E62-I457 HydrophobicContact CB-CG2 4.29Å; E62-I457 HydrophobicContact CG-CD1 4.18Å; E62-S538 WeakPolarHBondContact OE2-CA 3.49Å; E62-S538 PolarHBondContact OE2-OG 2.86Å; E62-R539 WeakPolarHBondContact OE1-CB 3.42Å; E62-R539 WeakPolarHBondContact OE1-CG 3.42Å; E62-R539 PolarHBondContact OE1-N 3.1Å; E62-R539 PolarHBondContact OE2-N 2.93Å; E62-H540 IonicContact OE2-CD2 3.8Å
63	E	80.6	Confident	74	Confident	169 Å²	169	86.6 Å²	86.6	79%	0.79	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-60.4	143.8	177.6	-69.1	-171.1	168.2	0	0	110.3	F61 P65	F61-E63 PolarHBondContact O-N 3.42Å; F61-E63 VanDerWaalsContact O-N 3.16Å; E63-P65 WeakPolarHBondContact O-CD 3.41Å; E63-P65 VanDerWaalsContact O-N 3.11Å
64	T	82.6	Confident	76.4	Confident	25 Å²	25	82.5 Å²	82.5	15%	0.153	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-50.7	121.4	177.4	-56.9	0	0	0	0	110.5	M66 V68 A69 Y472	T64-M66 PolarHBondContact O-N 2.98Å; T64-V68 HydrophobicContact CG2-CB 4.45Å; T64-V68 HydrophobicContact CG2-CG1 4.44Å; T64-A69 HydrophobicContact CG2-CB 3.99Å; T64-Y472 HydrophobicContact CG2-CD1 3.75Å; T64-Y472 HydrophobicContact CG2-CE1 3.52Å; T64-Y472 HydrophobicContact CG2-CG 4.39Å; T64-Y472 VanDerWaalsContact OG1-CE1 3.25Å; T64-Y472 WeakPolarHBondContact OG1-CE1 3.3Å
65	P	88.5	Confident	78.9	Confident	10 Å²	10	74.7 Å²	74.7	7%	0.065	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-54	129.6	178.4	-29.8	36.7	0	0	0	111.1	E63 L67 V68 A69 I457	E63-P65 WeakPolarHBondContact O-CD 3.41Å; E63-P65 VanDerWaalsContact O-N 3.11Å; P65-L67 VanDerWaalsContact C-N 3.26Å; P65-L67 PolarHBondContact O-N 3.38Å; P65-L67 VanDerWaalsContact O-N 3.13Å; P65-V68 HydrophobicContact CB-CB 4.25Å; P65-V68 HydrophobicContact CB-CG2 3.92Å; P65-V68 HydrophobicContact CG-CG2 4.37Å; P65-V68 WeakPolarHBondContact O-CA 3.5Å; P65-V68 WeakPolarHBondContact O-CB 3.3Å; P65-V68 PolarHBondContact O-N 3.48Å; P65-A69 PolarHBondContact O-N 3.45Å; P65-I457 HydrophobicContact CG-CD1 4.1Å
66	M	90.1	Very high	81.1	Confident	141 Å²	141	68 Å²	68	70%	0.695	37%	0.368	S	S	*	.	H	α-helix	trans	-55.3	-39.4	-169.9	-149.9	-87.5	-76.3	0	0	113.2	T64 V68 A69 V70	T64-M66 PolarHBondContact O-N 2.98Å; M66-V68 PolarHBondContact O-N 3.48Å; M66-A69 PolarHBondContact O-N 2.93Å; M66-V70 WeakPolarHBondContact O-CG2 3.32Å; M66-V70 PolarHBondContact O-N 3.36Å; M66-V70 HydrophobicContact SD-CG2 3.89Å
67	L	90.9	Very high	83.3	Confident	124 Å²	124	64.8 Å²	64.8	65%	0.649	35%	0.352	S	S	*	.	H	α-helix	trans	-59.7	-43.7	172.7	179.3	62.9	0	0	0	112.3	P65 V70 L71	P65-L67 VanDerWaalsContact C-N 3.26Å; P65-L67 PolarHBondContact O-N 3.38Å; P65-L67 VanDerWaalsContact O-N 3.13Å; L67-V70 PolarHBondContact O-N 3.34Å; L67-L71 HydrophobicContact CD1-CD1 4.21Å; L67-L71 HydrophobicContact CD1-CG 4.25Å; L67-L71 HydrophobicContact CG-CD1 4.04Å; L67-L71 HydrophobicContact CG-CG 4.46Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 2.89Å
68	V	92.3	Very high	85.1	Confident	15 Å²	15	65 Å²	65	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-38.8	179.3	179.6	0	0	0	0	110.8	T64 P65 M66 L71 T72 Y472 Y537	T64-V68 HydrophobicContact CG2-CB 4.45Å; T64-V68 HydrophobicContact CG2-CG1 4.44Å; P65-V68 HydrophobicContact CB-CB 4.25Å; P65-V68 HydrophobicContact CB-CG2 3.92Å; P65-V68 HydrophobicContact CG-CG2 4.37Å; P65-V68 WeakPolarHBondContact O-CA 3.5Å; P65-V68 WeakPolarHBondContact O-CB 3.3Å; P65-V68 PolarHBondContact O-N 3.48Å; M66-V68 PolarHBondContact O-N 3.48Å; V68-L71 PolarHBondContact O-N 3.2Å; V68-T72 VanDerWaalsContact O-CB 3.29Å; V68-T72 WeakPolarHBondContact O-CB 3.39Å; V68-T72 PolarHBondContact O-N 3.08Å; V68-T72 PolarHBondContact O-OG1 2.96Å; V68-Y472 HydrophobicContact CG1-CD1 4.49Å; V68-Y472 HydrophobicContact CG1-CD2 3.49Å; V68-Y472 VanDerWaalsContact CG1-CD2 3.49Å; V68-Y472 HydrophobicContact CG1-CE2 4.25Å; V68-Y472 HydrophobicContact CG1-CG 3.62Å; V68-Y537 HydrophobicContact CG1-CE1 4.23Å; V68-Y537 HydrophobicContact CG2-CD1 3.68Å; V68-Y537 HydrophobicContact CG2-CE1 3.72Å; V68-Y537 HydrophobicContact CG2-CG 4.49Å
69	A	92.3	Very high	87.1	Confident	15 Å²	15	62.2 Å²	62.2	12%	0.124	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-49.7	173.5	0	0	0	0	0	111.3	T64 P65 M66 L71 T72 Y73	T64-A69 HydrophobicContact CG2-CB 3.99Å; P65-A69 PolarHBondContact O-N 3.45Å; M66-A69 PolarHBondContact O-N 2.93Å; A69-L71 PolarHBondContact O-N 3.06Å; A69-T72 WeakPolarHBondContact O-CB 3.47Å; A69-T72 PolarHBondContact O-N 3.16Å; A69-Y73 WeakPolarHBondContact O-CD2 3.28Å; A69-Y73 PolarHBondContact O-N 3.38Å
70	V	94	Very high	88.5	Confident	72 Å²	72	62.2 Å²	62.2	44%	0.436	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-49.1	176.9	172.2	0	0	0	0	111.2	M66 L67 T72 Y73 V74	M66-V70 WeakPolarHBondContact O-CG2 3.32Å; M66-V70 PolarHBondContact O-N 3.36Å; M66-V70 HydrophobicContact SD-CG2 3.89Å; L67-V70 PolarHBondContact O-N 3.34Å; V70-T72 VanDerWaalsContact C-N 3.25Å; V70-T72 PolarHBondContact O-N 3.2Å; V70-Y73 PolarHBondContact O-N 2.91Å; V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.3Å; V70-V74 PolarHBondContact O-N 3.21Å
71	L	94.1	Very high	90.3	Very high	76 Å²	76	63.8 Å²	63.8	40%	0.398	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-33.5	178.2	-71.4	175.7	0	0	0	112.5	L67 V68 A69 G75 M473	L67-L71 HydrophobicContact CD1-CD1 4.21Å; L67-L71 HydrophobicContact CD1-CG 4.25Å; L67-L71 HydrophobicContact CG-CD1 4.04Å; L67-L71 HydrophobicContact CG-CG 4.46Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 2.89Å; V68-L71 PolarHBondContact O-N 3.2Å; A69-L71 PolarHBondContact O-N 3.06Å; L71-G75 PolarHBondContact O-N 2.86Å; L71-M473 HydrophobicContact CB-CE 4.42Å; L71-M473 HydrophobicContact CB-SD 4.45Å
72	T	93.8	Very high	91.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-47.2	175.8	-60.3	0	0	0	0	110.8	V68 A69 V70 G75 Y76 I501 I502	V68-T72 VanDerWaalsContact O-CB 3.29Å; V68-T72 WeakPolarHBondContact O-CB 3.39Å; V68-T72 PolarHBondContact O-N 3.08Å; V68-T72 PolarHBondContact O-OG1 2.96Å; A69-T72 WeakPolarHBondContact O-CB 3.47Å; A69-T72 PolarHBondContact O-N 3.16Å; V70-T72 VanDerWaalsContact C-N 3.25Å; V70-T72 PolarHBondContact O-N 3.2Å; T72-G75 PolarHBondContact O-N 3.5Å; T72-Y76 HydrophobicContact CG2-CD2 4.05Å; T72-Y76 HydrophobicContact CG2-CE2 4.04Å; T72-Y76 WeakPolarHBondContact O-CD2 3.46Å; T72-Y76 PolarHBondContact O-N 2.98Å; T72-I501 HydrophobicContact CG2-CG2 4.36Å; T72-I501 WeakPolarHBondContact CG2-O 3.41Å; T72-I502 HydrophobicContact CG2-CG2 4.42Å
73	Y	94.8	Very high	92	Very high	131 Å²	131	65.1 Å²	65.1	51%	0.514	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-43.6	174.6	-78.2	-65.8	0	0	0	112.4	A69 V70 G75 Y76 G77 I501 I502	A69-Y73 WeakPolarHBondContact O-CD2 3.28Å; A69-Y73 PolarHBondContact O-N 3.38Å; V70-Y73 PolarHBondContact O-N 2.91Å; Y73-G75 VanDerWaalsContact C-N 3.3Å; Y73-G75 PolarHBondContact O-N 3.33Å; Y73-Y76 PolarHBondContact O-N 3.5Å; Y73-G77 PolarHBondContact O-N 2.81Å; Y73-I501 HydrophobicContact CD1-CG2 4.03Å; Y73-I501 HydrophobicContact CE1-CB 4.48Å; Y73-I501 HydrophobicContact CE1-CG2 3.87Å; Y73-I502 HydrophobicContact CD2-CG2 4.04Å; Y73-I502 HydrophobicContact CE1-CG2 4.34Å; Y73-I502 HydrophobicContact CE2-CG2 3.43Å; Y73-I502 VanDerWaalsContact CE2-CG2 3.43Å
74	V	95	Very high	92.6	Very high	84 Å²	84	63.7 Å²	63.7	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-43.4	173.9	171.5	0	0	0	0	110.4	V70 Y76 G77 V78	V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.3Å; V70-V74 PolarHBondContact O-N 3.21Å; V74-Y76 PolarHBondContact O-N 3.26Å; V74-G77 PolarHBondContact O-N 3.41Å; V74-G77 VanDerWaalsContact O-N 3.14Å; V74-V78 HydrophobicContact CG1-CG2 4.34Å; V74-V78 WeakPolarHBondContact O-CG2 3.36Å; V74-V78 PolarHBondContact O-N 3.33Å
75	G	93.6	Very high	93.1	Very high	18 Å²	18	66.7 Å²	66.7	19%	0.186	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-48	177.1	0	0	0	0	0	112.8	L71 T72 Y73 G77 V78 L79	L71-G75 PolarHBondContact O-N 2.86Å; T72-G75 PolarHBondContact O-N 3.5Å; Y73-G75 VanDerWaalsContact C-N 3.3Å; Y73-G75 PolarHBondContact O-N 3.33Å; G75-G77 VanDerWaalsContact C-N 3.35Å; G75-V78 PolarHBondContact O-N 2.96Å; G75-L79 WeakPolarHBondContact O-CG 3.31Å; G75-L79 PolarHBondContact O-N 2.69Å
76	Y	93.3	Very high	93.2	Very high	18 Å²	18	69.2 Å²	69.2	7%	0.071	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-38	173.2	-84.3	-77.8	0	0	0	112.4	T72 Y73 V74 L79 T80 Y120 L124 P474 F496 I501	T72-Y76 HydrophobicContact CG2-CD2 4.05Å; T72-Y76 HydrophobicContact CG2-CE2 4.04Å; T72-Y76 WeakPolarHBondContact O-CD2 3.46Å; T72-Y76 PolarHBondContact O-N 2.98Å; Y73-Y76 PolarHBondContact O-N 3.5Å; V74-Y76 PolarHBondContact O-N 3.26Å; Y76-L79 PolarHBondContact O-N 2.96Å; Y76-T80 WeakPolarHBondContact O-CB 3.41Å; Y76-T80 PolarHBondContact O-N 3.3Å; Y76-T80 PolarHBondContact O-OG1 2.96Å; Y76-Y120 HydrophobicContact CE1-CE2 4.36Å; Y76-L124 HydrophobicContact CD1-CD2 4.18Å; Y76-L124 HydrophobicContact CE1-CD2 4.4Å; Y76-P474 HydrophobicContact CD1-CG 4.38Å; Y76-P474 HydrophobicContact CD2-CB 4.45Å; Y76-P474 HydrophobicContact CD2-CG 3.81Å; Y76-P474 HydrophobicContact CE1-CB 4.09Å; Y76-P474 HydrophobicContact CE1-CG 4.33Å; Y76-P474 HydrophobicContact CE2-CB 3.95Å; Y76-P474 HydrophobicContact CE2-CG 3.76Å; Y76-P474 HydrophobicContact CG-CG 4.15Å; Y76-F496 HydrophobicContact CE1-CB 4.5Å; Y76-I501 HydrophobicContact CD2-CG2 3.53Å; Y76-I501 HydrophobicContact CE2-CB 4.45Å; Y76-I501 HydrophobicContact CE2-CG2 3.72Å; Y76-I501 HydrophobicContact CG-CG2 4.26Å
77	G	94	Very high	93.2	Very high	32 Å²	32	64 Å²	64	33%	0.33	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-47.8	175	0	0	0	0	0	112.3	Y73 V74 G75 T80 L81	Y73-G77 PolarHBondContact O-N 2.81Å; V74-G77 PolarHBondContact O-N 3.41Å; V74-G77 VanDerWaalsContact O-N 3.14Å; G75-G77 VanDerWaalsContact C-N 3.35Å; G77-T80 PolarHBondContact O-N 3.4Å; G77-L81 WeakPolarHBondContact O-CG 3.4Å; G77-L81 PolarHBondContact O-N 3.49Å
78	V	94.8	Very high	93.2	Very high	68 Å²	68	63.5 Å²	63.5	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-48.4	175.6	172.6	0	0	0	0	110.7	V74 G75 T80 L81 F82	V74-V78 HydrophobicContact CG1-CG2 4.34Å; V74-V78 WeakPolarHBondContact O-CG2 3.36Å; V74-V78 PolarHBondContact O-N 3.33Å; G75-V78 PolarHBondContact O-N 2.96Å; V78-T80 VanDerWaalsContact C-N 3.27Å; V78-T80 PolarHBondContact O-N 3.03Å; V78-L81 PolarHBondContact O-N 3.44Å; V78-F82 HydrophobicContact CG1-CD2 3.77Å; V78-F82 HydrophobicContact CG1-CE2 3.93Å; V78-F82 WeakPolarHBondContact O-CD2 3.38Å; V78-F82 PolarHBondContact O-N 2.9Å
79	L	93.1	Very high	93.2	Very high	72 Å²	72	65 Å²	65	38%	0.377	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-39.3	178.1	-71.8	175	0	0	0	112.3	G75 Y76 G83 L124 P474	G75-L79 WeakPolarHBondContact O-CG 3.31Å; G75-L79 PolarHBondContact O-N 2.69Å; Y76-L79 PolarHBondContact O-N 2.96Å; L79-G83 PolarHBondContact O-N 3.17Å; L79-L124 HydrophobicContact CB-CD2 4.15Å; L79-L124 HydrophobicContact CB-CG 4.22Å; L79-P474 HydrophobicContact CD1-CB 3.82Å; L79-P474 HydrophobicContact CD1-CG 3.66Å
80	T	92.8	Very high	93	Very high	43 Å²	43	65.4 Å²	65.4	26%	0.264	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-45.4	176.8	-64.3	0	0	0	0	111.6	Y76 G77 V78 F82 G83 Y84 F119	Y76-T80 WeakPolarHBondContact O-CB 3.41Å; Y76-T80 PolarHBondContact O-N 3.3Å; Y76-T80 PolarHBondContact O-OG1 2.96Å; G77-T80 PolarHBondContact O-N 3.4Å; V78-T80 VanDerWaalsContact C-N 3.27Å; V78-T80 PolarHBondContact O-N 3.03Å; T80-F82 PolarHBondContact O-N 3.35Å; T80-G83 WeakPolarHBondContact O-CA 3.45Å; T80-G83 PolarHBondContact O-N 3.48Å; T80-G83 VanDerWaalsContact O-N 3.09Å; T80-Y84 HydrophobicContact CG2-CD2 3.82Å; T80-Y84 HydrophobicContact CG2-CE2 3.49Å; T80-Y84 VanDerWaalsContact CG2-CE2 3.49Å; T80-Y84 VanDerWaalsContact O-CD2 3.28Å; T80-Y84 WeakPolarHBondContact O-CD2 3.41Å; T80-Y84 PolarHBondContact O-N 3.17Å; T80-F119 HydrophobicContact CG2-CE1 4.09Å; T80-F119 HydrophobicContact CG2-CZ 4.09Å
81	L	95.1	Very high	92.6	Very high	124 Å²	124	69.2 Å²	69.2	65%	0.649	35%	0.345	S	S	*	.	H	α-helix	trans	-59.1	-46.7	175.8	-72.5	171.6	0	0	0	111.6	G77 V78 G83 Y84 L85	G77-L81 WeakPolarHBondContact O-CG 3.4Å; G77-L81 PolarHBondContact O-N 3.49Å; V78-L81 PolarHBondContact O-N 3.44Å; L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 2.89Å; L81-Y84 PolarHBondContact O-N 3.23Å; L81-L85 PolarHBondContact O-N 3.05Å
82	F	93.4	Very high	92.4	Very high	127 Å²	127	73.4 Å²	73.4	56%	0.557	36%	0.356	S	S	*	.	H	α-helix	trans	-64.3	-35.3	174.1	-88.4	-87.3	0	0	0	112.2	V78 T80 L85 R86	V78-F82 HydrophobicContact CG1-CD2 3.77Å; V78-F82 HydrophobicContact CG1-CE2 3.93Å; V78-F82 WeakPolarHBondContact O-CD2 3.38Å; V78-F82 PolarHBondContact O-N 2.9Å; T80-F82 PolarHBondContact O-N 3.35Å; F82-L85 PolarHBondContact O-N 3.22Å; F82-R86 WeakPolarHBondContact O-CB 3.36Å; F82-R86 VanDerWaalsContact O-CG 3.25Å; F82-R86 WeakPolarHBondContact O-CG 2.96Å; F82-R86 PolarHBondContact O-N 2.91Å
83	G	92.6	Very high	92	Very high	3 Å²	3	84.3 Å²	84.3	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-59	-47.6	173.6	0	0	0	0	0	112.4	L79 T80 L81 R86 D87	L79-G83 PolarHBondContact O-N 3.17Å; T80-G83 WeakPolarHBondContact O-CA 3.45Å; T80-G83 PolarHBondContact O-N 3.48Å; T80-G83 VanDerWaalsContact O-N 3.09Å; L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 2.89Å; G83-R86 PolarHBondContact O-N 3.22Å; G83-D87 PolarHBondContact O-N 3.18Å
84	Y	93.7	Very high	91.8	Very high	139 Å²	139	83.9 Å²	83.9	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-40.8	176.4	-76.3	-62.4	0	0	0	112.7	T80 L81 R86 D87 F88 F119	T80-Y84 HydrophobicContact CG2-CD2 3.82Å; T80-Y84 HydrophobicContact CG2-CE2 3.49Å; T80-Y84 VanDerWaalsContact CG2-CE2 3.49Å; T80-Y84 VanDerWaalsContact O-CD2 3.28Å; T80-Y84 WeakPolarHBondContact O-CD2 3.41Å; T80-Y84 PolarHBondContact O-N 3.17Å; L81-Y84 PolarHBondContact O-N 3.23Å; Y84-R86 VanDerWaalsContact C-N 3.28Å; Y84-R86 PolarHBondContact O-N 3.08Å; Y84-D87 PolarHBondContact O-N 3.35Å; Y84-F88 PolarHBondContact O-N 3Å; Y84-F119 HydrophobicContact CD1-CD2 4.33Å; Y84-F119 AromaticContact CD1-CE2 3.7Å; Y84-F119 HydrophobicContact CD1-CE2 3.7Å; Y84-F119 HydrophobicContact CD1-CZ 4.36Å; Y84-F119 HydrophobicContact CD2-CE2 4.16Å; Y84-F119 HydrophobicContact CD2-CZ 4Å; Y84-F119 HydrophobicContact CE1-CD2 4.07Å; Y84-F119 AromaticContact CE1-CE2 3.77Å; Y84-F119 HydrophobicContact CE1-CE2 3.77Å; Y84-F119 HydrophobicContact CE1-CZ 4.34Å; Y84-F119 HydrophobicContact CE2-CE2 4.23Å; Y84-F119 AromaticContact CE2-CZ 3.98Å; Y84-F119 HydrophobicContact CE2-CZ 3.98Å; Y84-F119 AromaticContact CG-CE2 3.9Å; Y84-F119 HydrophobicContact CG-CE2 3.9Å; Y84-F119 HydrophobicContact CG-CZ 4.19Å
85	L	93.8	Very high	91.3	Very high	89 Å²	89	81.6 Å²	81.6	47%	0.466	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-42.8	174	177	61.7	0	0	0	111.3	L81 F82 F88 L89	L81-L85 PolarHBondContact O-N 3.05Å; F82-L85 PolarHBondContact O-N 3.22Å; L85-F88 WeakPolarHBondContact O-CB 3.25Å; L85-F88 PolarHBondContact O-N 3.38Å; L85-L89 HydrophobicContact CG-CD1 4.49Å; L85-L89 WeakPolarHBondContact O-CG 2.82Å; L85-L89 PolarHBondContact O-N 3.2Å
86	R	90.5	Very high	90.6	Very high	63 Å²	63	88.3 Å²	88.3	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-67.2	-40.4	177.5	-72.4	-177.9	75.5	146.1	7.9	112.9	F82 G83 Y84 F88 L89 R90 E95	F82-R86 WeakPolarHBondContact O-CB 3.36Å; F82-R86 VanDerWaalsContact O-CG 3.25Å; F82-R86 WeakPolarHBondContact O-CG 2.96Å; F82-R86 PolarHBondContact O-N 2.91Å; G83-R86 PolarHBondContact O-N 3.22Å; Y84-R86 VanDerWaalsContact C-N 3.28Å; Y84-R86 PolarHBondContact O-N 3.08Å; R86-F88 VanDerWaalsContact C-N 3.27Å; R86-F88 PolarHBondContact O-N 2.79Å; R86-L89 PolarHBondContact O-N 3.19Å; R86-R90 VanDerWaalsContact O-CG 3.31Å; R86-R90 WeakPolarHBondContact O-CG 3.35Å; R86-R90 PolarHBondContact O-N 2.98Å; R86-E95 WeakPolarHBondContact CB-OE2 3.45Å; R86-E95 WeakPolarHBondContact CG-OE2 3.44Å; R86-E95 IonicContact CZ-OE1 3.34Å; R86-E95 VanDerWaalsContact CZ-OE1 3.32Å; R86-E95 IonicContact CZ-OE2 2.71Å; R86-E95 IonicContact NE-OE1 3.56Å; R86-E95 PolarHBondContact NE-OE1 3.49Å; R86-E95 VanDerWaalsContact NE-OE1 3.15Å; R86-E95 IonicContact NE-OE2 3.06Å; R86-E95 PolarHBondContact NE-OE2 2.9Å; R86-E95 IonicContact NH2-OE1 2.67Å; R86-E95 PolarHBondContact NH2-OE1 2.73Å; R86-E95 IonicContact NH2-OE2 3.59Å
87	D	89.6	Confident	89.8	Confident	31 Å²	31	89.9 Å²	89.9	17%	0.166	42%	0.423	C	S	.	.	H	α-helix	trans	-63.4	-37	174.8	-76.4	-17.5	0	0	0	111.6	G83 Y84 R90 H91 F119 R122 N123	G83-D87 PolarHBondContact O-N 3.18Å; Y84-D87 PolarHBondContact O-N 3.35Å; D87-R90 PolarHBondContact O-N 3.3Å; D87-R90 IonicContact OD1-CZ 2.65Å; D87-R90 IonicContact OD1-NH1 2.7Å; D87-R90 PolarHBondContact OD1-NH1 2.95Å; D87-H91 WeakPolarHBondContact O-CB 3.45Å; D87-H91 PolarHBondContact O-N 2.81Å; D87-F119 WeakPolarHBondContact OD2-CD2 3.47Å; D87-R122 IonicContact OD1-CZ 3.62Å; D87-R122 IonicContact OD1-NE 3.32Å; D87-R122 PolarHBondContact OD1-NE 2.9Å; D87-R122 IonicContact OD1-NH2 3.68Å; D87-R122 PolarHBondContact OD1-NH2 3.47Å; D87-R122 VanDerWaalsContact OD1-NH2 3.13Å; D87-R122 IonicContact OD2-CZ 2.86Å; D87-R122 IonicContact OD2-NE 3.15Å; D87-R122 IonicContact OD2-NH2 2.96Å; D87-R122 PolarHBondContact OD2-NH2 3.16Å; D87-N123 PolarHBondContact OD1-ND2 2.88Å; D87-N123 PolarHBondContact OD2-ND2 2.84Å
88	F	91.3	Very high	88.9	Confident	113 Å²	113	92 Å²	92	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-50.5	168.6	173.6	-92	0	0	0	111.5	Y84 L85 R86 R90 H91 W92	Y84-F88 PolarHBondContact O-N 3Å; L85-F88 WeakPolarHBondContact O-CB 3.25Å; L85-F88 PolarHBondContact O-N 3.38Å; R86-F88 VanDerWaalsContact C-N 3.27Å; R86-F88 PolarHBondContact O-N 2.79Å; F88-R90 VanDerWaalsContact C-N 3.28Å; F88-R90 PolarHBondContact O-N 3.49Å; F88-H91 WeakPolarHBondContact O-CB 3.48Å; F88-H91 PolarHBondContact O-N 3.12Å; F88-H91 VanDerWaalsContact O-N 3.1Å; F88-W92 AromaticContact CD2-CD1 3.78Å; F88-W92 AromaticContact CD2-NE1 3.66Å; F88-W92 AromaticContact CE1-CD1 3.77Å; F88-W92 AromaticContact CE2-CD1 3.5Å; F88-W92 AromaticContact CE2-NE1 3.07Å; F88-W92 AromaticContact CZ-CD1 3.49Å; F88-W92 VanDerWaalsContact CZ-CD1 3.49Å; F88-W92 HydrophobicContact CZ-CG 4.45Å; F88-W92 AromaticContact CZ-NE1 3.31Å; F88-W92 VanDerWaalsContact CZ-NE1 3.31Å; F88-W92 VanDerWaalsContact O-CD1 3.24Å; F88-W92 PolarHBondContact O-N 3.26Å
89	L	91.3	Very high	87.8	Confident	48 Å²	48	91.9 Å²	91.9	25%	0.251	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-35.4	178.4	-66.6	176.3	0	0	0	112.8	L85 R86 W92 R93 I94 E95	L85-L89 HydrophobicContact CG-CD1 4.49Å; L85-L89 WeakPolarHBondContact O-CG 2.82Å; L85-L89 PolarHBondContact O-N 3.2Å; R86-L89 PolarHBondContact O-N 3.19Å; L89-W92 CarbonylContact O-C 3.57Å; L89-W92 PolarHBondContact O-N 3.05Å; L89-R93 PolarHBondContact O-N 2.83Å; L89-I94 HydrophobicContact CB-CB 4.28Å; L89-I94 HydrophobicContact CD2-CB 4.21Å; L89-I94 HydrophobicContact CD2-CD1 3.73Å; L89-I94 HydrophobicContact CD2-CG2 4.14Å; L89-I94 WeakPolarHBondContact O-CB 3.38Å; L89-I94 PolarHBondContact O-N 3.46Å; L89-E95 HydrophobicContact CB-CB 4.06Å; L89-E95 PolarHBondContact O-N 2.91Å
90	R	88.3	Confident	86.7	Confident	23 Å²	23	92.5 Å²	92.5	9%	0.087	44%	0.435	C	S	.	.	H	α-helix	trans	-68.7	-39.6	174.2	-70.1	172.9	-168.9	136.6	5.8	112.1	R86 D87 F88 W92 R93 E95 R122 N123	R86-R90 VanDerWaalsContact O-CG 3.31Å; R86-R90 WeakPolarHBondContact O-CG 3.35Å; R86-R90 PolarHBondContact O-N 2.98Å; D87-R90 PolarHBondContact O-N 3.3Å; D87-R90 IonicContact OD1-CZ 2.65Å; D87-R90 IonicContact OD1-NH1 2.7Å; D87-R90 PolarHBondContact OD1-NH1 2.95Å; F88-R90 VanDerWaalsContact C-N 3.28Å; F88-R90 PolarHBondContact O-N 3.49Å; R90-W92 VanDerWaalsContact C-N 3.26Å; R90-W92 PolarHBondContact O-N 2.92Å; R90-R93 PolarHBondContact O-N 3.33Å; R90-E95 HydrophobicContact CG-CB 3.84Å; R90-E95 HydrophobicContact CG-CG 4.1Å; R90-E95 IonicContact CZ-OE1 2.71Å; R90-E95 VanDerWaalsContact CZ-OE1 3.32Å; R90-E95 IonicContact NE-OE1 3.06Å; R90-E95 PolarHBondContact NE-OE1 2.71Å; R90-E95 IonicContact NE-OE2 3.93Å; R90-E95 IonicContact NH2-OE1 2.82Å; R90-E95 PolarHBondContact NH2-OE1 2.82Å; R90-E95 IonicContact NH2-OE2 3.68Å; R90-R122 VanDerWaalsContact NH1-CD 3.34Å; R90-N123 PolarHBondContact NH1-OD1 3.25Å
91	H	86.6	Confident	85.5	Confident	152 Å²	152	95.6 Å²	95.6	70%	0.704	45%	0.454	S	S	*	.	H	α-helix	trans	-59.1	-41.2	175.4	-176.5	79.3	0	0	0	111.2	D87 F88 R93	D87-H91 WeakPolarHBondContact O-CB 3.45Å; D87-H91 PolarHBondContact O-N 2.81Å; F88-H91 WeakPolarHBondContact O-CB 3.48Å; F88-H91 PolarHBondContact O-N 3.12Å; F88-H91 VanDerWaalsContact O-N 3.1Å; H91-R93 PolarHBondContact O-N 2.97Å
92	W	89.6	Confident	84.4	Confident	163 Å²	163	94.5 Å²	94.5	62%	0.617	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	8.7	175	-69	95.3	0	0	0	114.4	F88 L89 R90 I94	F88-W92 AromaticContact CD2-CD1 3.78Å; F88-W92 AromaticContact CD2-NE1 3.66Å; F88-W92 AromaticContact CE1-CD1 3.77Å; F88-W92 AromaticContact CE2-CD1 3.5Å; F88-W92 AromaticContact CE2-NE1 3.07Å; F88-W92 AromaticContact CZ-CD1 3.49Å; F88-W92 VanDerWaalsContact CZ-CD1 3.49Å; F88-W92 HydrophobicContact CZ-CG 4.45Å; F88-W92 AromaticContact CZ-NE1 3.31Å; F88-W92 VanDerWaalsContact CZ-NE1 3.31Å; F88-W92 VanDerWaalsContact O-CD1 3.24Å; F88-W92 PolarHBondContact O-N 3.26Å; L89-W92 CarbonylContact O-C 3.57Å; L89-W92 PolarHBondContact O-N 3.05Å; R90-W92 VanDerWaalsContact C-N 3.26Å; R90-W92 PolarHBondContact O-N 2.92Å; W92-I94 HydrophobicContact CB-CD1 4.02Å; W92-I94 HydrophobicContact CB-CG1 4.21Å; W92-I94 PolarHBondContact O-N 2.8Å; W92-I94 VanDerWaalsContact O-N 3.12Å
93	R	85.9	Confident	83.7	Confident	229 Å²	229	96.6 Å²	96.6	86%	0.864	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	21.5	-179.9	-55.9	-176.3	178.4	-172.6	-0.3	115	L89 R90 H91	L89-R93 PolarHBondContact O-N 2.83Å; R90-R93 PolarHBondContact O-N 3.33Å; H91-R93 PolarHBondContact O-N 2.97Å
94	I	89.2	Confident	83	Confident	122 Å²	122	103.2 Å²	103.2	63%	0.626	48%	0.48	S	S	*	.	S	Bend	trans	-76.5	-40.8	173.4	-61.8	166.2	0	0	0	109.8	L89 W92	L89-I94 HydrophobicContact CB-CB 4.28Å; L89-I94 HydrophobicContact CD2-CB 4.21Å; L89-I94 HydrophobicContact CD2-CD1 3.73Å; L89-I94 HydrophobicContact CD2-CG2 4.14Å; L89-I94 WeakPolarHBondContact O-CB 3.38Å; L89-I94 PolarHBondContact O-N 3.46Å; W92-I94 HydrophobicContact CB-CD1 4.02Å; W92-I94 HydrophobicContact CB-CG1 4.21Å; W92-I94 PolarHBondContact O-N 2.8Å; W92-I94 VanDerWaalsContact O-N 3.12Å
95	E	84.1	Confident	82.5	Confident	37 Å²	37	104.5 Å²	104.5	17%	0.173	49%	0.491	C	S	.	.	S	Bend	trans	-103.5	137	173.2	-173.1	-171.4	150	0	0	110.3	R86 L89 R90 C97	R86-E95 WeakPolarHBondContact CB-OE2 3.45Å; R86-E95 WeakPolarHBondContact CG-OE2 3.44Å; R86-E95 IonicContact CZ-OE1 3.34Å; R86-E95 VanDerWaalsContact CZ-OE1 3.32Å; R86-E95 IonicContact CZ-OE2 2.71Å; R86-E95 IonicContact NE-OE1 3.56Å; R86-E95 PolarHBondContact NE-OE1 3.49Å; R86-E95 VanDerWaalsContact NE-OE1 3.15Å; R86-E95 IonicContact NE-OE2 3.06Å; R86-E95 PolarHBondContact NE-OE2 2.9Å; R86-E95 IonicContact NH2-OE1 2.67Å; R86-E95 PolarHBondContact NH2-OE1 2.73Å; R86-E95 IonicContact NH2-OE2 3.59Å; L89-E95 HydrophobicContact CB-CB 4.06Å; L89-E95 PolarHBondContact O-N 2.91Å; R90-E95 HydrophobicContact CG-CB 3.84Å; R90-E95 HydrophobicContact CG-CG 4.1Å; R90-E95 IonicContact CZ-OE1 2.71Å; R90-E95 VanDerWaalsContact CZ-OE1 3.32Å; R90-E95 IonicContact NE-OE1 3.06Å; R90-E95 PolarHBondContact NE-OE1 2.71Å; R90-E95 IonicContact NE-OE2 3.93Å; R90-E95 IonicContact NH2-OE1 2.82Å; R90-E95 PolarHBondContact NH2-OE1 2.82Å; R90-E95 IonicContact NH2-OE2 3.68Å; E95-C97 PolarHBondContact O-N 2.82Å
96	K	80.3	Confident	81.8	Confident	158 Å²	158	104.2 Å²	104.2	69%	0.687	49%	0.487	S	S	*	.			trans	-66.1	125.5	174	-169.4	175.3	-177.8	177.4	0	110.8	H98	K96-H98 PolarHBondContact O-N 2.92Å
97	C	76	Confident	81.2	Confident	52 Å²	52	106.9 Å²	106.9	35%	0.351	50%	0.5	S	S	.	.			trans	-82	113.1	169.2	-167.2	0	0	0	0	109.4	E95 H99	E95-C97 PolarHBondContact O-N 2.82Å; C97-H99 VanDerWaalsContact C-N 3.33Å
98	H	75.6	Confident	80.9	Confident	77 Å²	77	113.1 Å²	113.1	36%	0.356	53%	0.533	S	S	.	.			trans	-85.2	-10.2	174.4	-69.2	-92.2	0	0	0	112.9	K96 W156	K96-H98 PolarHBondContact O-N 2.92Å; H98-W156 HydrophobicContact CB-CD2 3.42Å; H98-W156 VanDerWaalsContact CB-CD2 3.42Å; H98-W156 HydrophobicContact CB-CE3 3.73Å; H98-W156 HydrophobicContact CB-CG 3.8Å; H98-W156 HydrophobicContact CB-CH2 4.41Å; H98-W156 HydrophobicContact CB-CZ2 4.14Å; H98-W156 HydrophobicContact CB-CZ3 4.22Å
99	H	72.2	Confident	80.5	Confident	64 Å²	64	114.4 Å²	114.4	30%	0.296	54%	0.539	S	S	.	.	S	Bend	trans	-80.3	148	179.7	-162.8	67.7	0	0	0	111	C97 T101 W156	C97-H99 VanDerWaalsContact C-N 3.33Å; H99-T101 PolarHBondContact O-N 2.72Å; H99-W156 HydrophobicContact CB-CH2 3.69Å; H99-W156 HydrophobicContact CB-CZ3 4.03Å; H99-W156 AromaticContact ND1-CH2 3.85Å; H99-W156 AromaticContact ND1-CZ3 3.88Å
100	A	68.6	Low	80	Confident	85 Å²	85	118.6 Å²	118.6	70%	0.702	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-61.5	120.4	168.3	0	0	0	0	0	108.3
101	T	68.4	Low	79.4	Confident	108 Å²	108	119.8 Å²	119.8	66%	0.663	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-90.1	139.3	172.5	42	0	0	0	0	108.1	H99 R103	H99-T101 PolarHBondContact O-N 2.72Å; T101-R103 PolarHBondContact O-N 2.88Å
102	E	71.9	Confident	78.9	Confident	102 Å²	102	120 Å²	120	48%	0.477	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-57.5	133.7	170.8	-74.9	178.6	179.6	0	0	108.6
103	R	77.6	Confident	78.1	Confident	171 Å²	171	119 Å²	119	65%	0.645	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-66.1	149.6	175.2	-61.1	180	-175.4	-175.4	1.9	108.1	T101 E105 Q106	T101-R103 PolarHBondContact O-N 2.88Å; R103-E105 PolarHBondContact O-N 3.1Å; R103-E105 VanDerWaalsContact O-N 3.12Å; R103-Q106 HydrophobicContact CB-CG 4.28Å; R103-Q106 WeakPolarHBondContact O-CA 3.44Å; R103-Q106 PolarHBondContact O-N 2.64Å
104	E	78.2	Confident	77.9	Confident	142 Å²	142	114.5 Å²	114.5	66%	0.664	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-51.6	-38.3	176.4	-72.5	-67.3	149.7	0	0	112	Q106 K107	E104-Q106 PolarHBondContact O-N 3.29Å; E104-Q106 VanDerWaalsContact O-N 3.12Å; E104-K107 VanDerWaalsContact CD-CE 3.47Å; E104-K107 PolarHBondContact O-N 3.13Å; E104-K107 VanDerWaalsContact OE1-CE 3.31Å; E104-K107 WeakPolarHBondContact OE1-CE 3.33Å; E104-K107 IonicContact OE1-NZ 2.94Å; E104-K107 PolarHBondContact OE1-NZ 3.05Å; E104-K107 WeakPolarHBondContact OE2-CE 3.32Å; E104-K107 IonicContact OE2-NZ 2.88Å; E104-K107 PolarHBondContact OE2-NZ 3.39Å
105	E	83.1	Confident	77.5	Confident	166 Å²	166	115.2 Å²	115.2	78%	0.776	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-64.1	-13.1	177	-60.6	168.7	-172.7	0	0	114.4	R103	R103-E105 PolarHBondContact O-N 3.1Å; R103-E105 VanDerWaalsContact O-N 3.12Å
106	Q	80.3	Confident	77.5	Confident	83 Å²	83	118.6 Å²	118.6	39%	0.388	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-114.3	2.6	-173.2	-62	-178.4	-59.3	0	0	113.2	R103 E104 D108 F109	R103-Q106 HydrophobicContact CB-CG 4.28Å; R103-Q106 WeakPolarHBondContact O-CA 3.44Å; R103-Q106 PolarHBondContact O-N 2.64Å; E104-Q106 PolarHBondContact O-N 3.29Å; E104-Q106 VanDerWaalsContact O-N 3.12Å; Q106-D108 PolarHBondContact O-N 2.94Å; Q106-F109 HydrophobicContact CB-CD2 4.23Å; Q106-F109 WeakPolarHBondContact O-CB 3.35Å; Q106-F109 PolarHBondContact O-N 3.1Å
107	K	76.5	Confident	77.7	Confident	118 Å²	118	115.8 Å²	115.8	51%	0.513	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.7	-25.2	-179.2	-76	-177	173.8	170.7	0	114.2	E104 F109	E104-K107 VanDerWaalsContact CD-CE 3.47Å; E104-K107 PolarHBondContact O-N 3.13Å; E104-K107 VanDerWaalsContact OE1-CE 3.31Å; E104-K107 WeakPolarHBondContact OE1-CE 3.33Å; E104-K107 IonicContact OE1-NZ 2.94Å; E104-K107 PolarHBondContact OE1-NZ 3.05Å; E104-K107 WeakPolarHBondContact OE2-CE 3.32Å; E104-K107 IonicContact OE2-NZ 2.88Å; E104-K107 PolarHBondContact OE2-NZ 3.39Å; K107-F109 VanDerWaalsContact C-N 3.29Å
108	D	83.6	Confident	78.2	Confident	162 Å²	162	114.8 Å²	114.8	87%	0.866	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-3.8	178.4	-63.3	-31.6	0	0	0	113.1	Q106	Q106-D108 PolarHBondContact O-N 2.94Å
109	F	83.3	Confident	78.8	Confident	141 Å²	141	111.7 Å²	111.7	62%	0.618	56%	0.555	S	S	*	*	S	Bend	trans	-80.4	147.3	178.1	-73.4	-117.9	0	0	0	110.1	Q106 K107 S111	Q106-F109 HydrophobicContact CB-CD2 4.23Å; Q106-F109 WeakPolarHBondContact O-CB 3.35Å; Q106-F109 PolarHBondContact O-N 3.1Å; K107-F109 VanDerWaalsContact C-N 3.29Å; F109-S111 PolarHBondContact O-N 3.49Å
110	V	81.7	Confident	79.6	Confident	136 Å²	136	109.8 Å²	109.8	82%	0.824	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-63.5	123.3	172.4	-178.9	0	0	0	0	108.3	L112	V110-L112 PolarHBondContact O-N 2.78Å
111	S	75.8	Confident	80.6	Confident	48 Å²	48	108.6 Å²	108.6	34%	0.336	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-59.5	136.1	178.3	-163.6	0	0	0	0	110.5	F109 Y113	F109-S111 PolarHBondContact O-N 3.49Å; S111-Y113 PolarHBondContact O-N 3.28Å; S111-Y113 PolarHBondContact OG-O 3.32Å
112	L	75.7	Confident	81.5	Confident	157 Å²	157	105.7 Å²	105.7	82%	0.822	51%	0.506	S	S	*	.	S	Bend	trans	-73.9	-17.2	178.5	-67.6	175.1	0	0	0	112.7	V110	V110-L112 PolarHBondContact O-N 2.78Å
113	Y	72.6	Confident	82.4	Confident	142 Å²	142	101.3 Å²	101.3	56%	0.557	49%	0.486	S	S	*	.	S	Bend	trans	-127.7	151.8	-173.3	-59.4	-76	0	0	0	110.6	S111 N118	S111-Y113 PolarHBondContact O-N 3.28Å; S111-Y113 PolarHBondContact OG-O 3.32Å; Y113-N118 WeakPolarHBondContact CB-ND2 3.44Å; Y113-N118 WeakPolarHBondContact CB-OD1 3.49Å
114	Q	80.4	Confident	83	Confident	133 Å²	133	93.9 Å²	93.9	62%	0.621	46%	0.459	S	S	*	.			trans	-75	143	172.3	-62.2	-173.1	-1.6	0	0	110.5	F116 E117 N118	Q114-F116 VanDerWaalsContact C-N 3.26Å; Q114-F116 PolarHBondContact O-N 2.91Å; Q114-E117 HydrophobicContact CB-CB 4.43Å; Q114-E117 HydrophobicContact CB-CG 4.16Å; Q114-E117 PolarHBondContact O-N 3.03Å; Q114-E117 VanDerWaalsContact O-N 3.08Å; Q114-N118 PolarHBondContact O-N 3.47Å
115	D	81.4	Confident	83.6	Confident	137 Å²	137	90.6 Å²	90.6	73%	0.733	44%	0.441	S	S	*	.	H	α-helix	trans	-54.3	-42.3	-177.3	-68.9	-27.4	0	0	0	112.9	N118 F119	D115-N118 PolarHBondContact O-N 2.86Å; D115-F119 WeakPolarHBondContact O-CB 3.25Å; D115-F119 PolarHBondContact O-N 2.99Å
116	F	84.8	Confident	84	Confident	109 Å²	109	83.1 Å²	83.1	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-39.9	179.3	179.5	-101.3	0	0	0	112.7	Q114 N118 F119 Y120 F496	Q114-F116 VanDerWaalsContact C-N 3.26Å; Q114-F116 PolarHBondContact O-N 2.91Å; F116-N118 VanDerWaalsContact C-N 3.34Å; F116-F119 PolarHBondContact O-N 2.96Å; F116-Y120 HydrophobicContact CZ-CD2 4.44Å; F116-Y120 VanDerWaalsContact O-CB 3.31Å; F116-Y120 WeakPolarHBondContact O-CB 3.05Å; F116-Y120 PolarHBondContact O-N 3.25Å; F116-F496 AromaticContact CE1-CE1 3.74Å; F116-F496 HydrophobicContact CE1-CE1 3.74Å; F116-F496 AromaticContact CE1-CZ 3.86Å; F116-F496 HydrophobicContact CE1-CZ 3.86Å; F116-F496 AromaticContact CZ-CE1 3.92Å; F116-F496 HydrophobicContact CZ-CE1 3.92Å; F116-F496 HydrophobicContact CZ-CZ 4.21Å
117	E	84.4	Confident	84.4	Confident	98 Å²	98	82 Å²	82	46%	0.458	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-41.6	177.4	-68.2	-177.7	159.3	0	0	111.1	Q114 Y120 T121	Q114-E117 HydrophobicContact CB-CB 4.43Å; Q114-E117 HydrophobicContact CB-CG 4.16Å; Q114-E117 PolarHBondContact O-N 3.03Å; Q114-E117 VanDerWaalsContact O-N 3.08Å; E117-Y120 PolarHBondContact O-N 3.01Å; E117-T121 VanDerWaalsContact O-CB 3.24Å; E117-T121 WeakPolarHBondContact O-CB 3.48Å; E117-T121 PolarHBondContact O-N 2.96Å; E117-T121 PolarHBondContact O-OG1 3.28Å
118	N	85.6	Confident	85.2	Confident	31 Å²	31	77.8 Å²	77.8	17%	0.166	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-47.7	174.2	-82.1	-21.6	0	0	0	111.7	Y113 Q114 D115 F116 R122	Y113-N118 WeakPolarHBondContact CB-ND2 3.44Å; Y113-N118 WeakPolarHBondContact CB-OD1 3.49Å; Q114-N118 PolarHBondContact O-N 3.47Å; D115-N118 PolarHBondContact O-N 2.86Å; F116-N118 VanDerWaalsContact C-N 3.34Å; N118-R122 VanDerWaalsContact O-CB 3.31Å; N118-R122 WeakPolarHBondContact O-CB 3.27Å; N118-R122 PolarHBondContact O-N 2.84Å
119	F	89.1	Confident	85.7	Confident	12 Å²	12	73.6 Å²	73.6	5%	0.053	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-51.7	176.4	173	-93.1	0	0	0	111.5	T80 Y84 D87 D115 F116 T121 R122 N123 L124	T80-F119 HydrophobicContact CG2-CE1 4.09Å; T80-F119 HydrophobicContact CG2-CZ 4.09Å; Y84-F119 HydrophobicContact CD1-CD2 4.33Å; Y84-F119 AromaticContact CD1-CE2 3.7Å; Y84-F119 HydrophobicContact CD1-CE2 3.7Å; Y84-F119 HydrophobicContact CD1-CZ 4.36Å; Y84-F119 HydrophobicContact CD2-CE2 4.16Å; Y84-F119 HydrophobicContact CD2-CZ 4Å; Y84-F119 HydrophobicContact CE1-CD2 4.07Å; Y84-F119 AromaticContact CE1-CE2 3.77Å; Y84-F119 HydrophobicContact CE1-CE2 3.77Å; Y84-F119 HydrophobicContact CE1-CZ 4.34Å; Y84-F119 HydrophobicContact CE2-CE2 4.23Å; Y84-F119 AromaticContact CE2-CZ 3.98Å; Y84-F119 HydrophobicContact CE2-CZ 3.98Å; Y84-F119 AromaticContact CG-CE2 3.9Å; Y84-F119 HydrophobicContact CG-CE2 3.9Å; Y84-F119 HydrophobicContact CG-CZ 4.19Å; D87-F119 WeakPolarHBondContact OD2-CD2 3.47Å; D115-F119 WeakPolarHBondContact O-CB 3.25Å; D115-F119 PolarHBondContact O-N 2.99Å; F116-F119 PolarHBondContact O-N 2.96Å; F119-T121 PolarHBondContact O-N 2.82Å; F119-R122 PolarHBondContact O-N 2.9Å; F119-N123 VanDerWaalsContact CD2-ND2 3.34Å; F119-N123 WeakPolarHBondContact CD2-ND2 3.35Å; F119-N123 WeakPolarHBondContact CE2-ND2 3.27Å; F119-N123 WeakPolarHBondContact O-CB 3.46Å; F119-N123 PolarHBondContact O-N 2.92Å; F119-N123 PolarHBondContact O-ND2 2.86Å; F119-L124 HydrophobicContact CE1-CD1 4.2Å
120	Y	89.6	Confident	86.1	Confident	25 Å²	25	67.9 Å²	67.9	10%	0.098	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-46.4	-178.6	-173.6	-93.3	0	0	0	111.2	Y76 F116 E117 L124 Y125 F496	Y76-Y120 HydrophobicContact CE1-CE2 4.36Å; F116-Y120 HydrophobicContact CZ-CD2 4.44Å; F116-Y120 VanDerWaalsContact O-CB 3.31Å; F116-Y120 WeakPolarHBondContact O-CB 3.05Å; F116-Y120 PolarHBondContact O-N 3.25Å; E117-Y120 PolarHBondContact O-N 3.01Å; Y120-L124 HydrophobicContact CD2-CB 4.05Å; Y120-L124 HydrophobicContact CD2-CD2 3.69Å; Y120-L124 HydrophobicContact CD2-CG 4.34Å; Y120-L124 HydrophobicContact CE2-CB 3.87Å; Y120-L124 HydrophobicContact CE2-CD2 3.4Å; Y120-L124 HydrophobicContact CE2-CG 4.23Å; Y120-L124 HydrophobicContact CG-CB 4.44Å; Y120-L124 WeakPolarHBondContact O-CA 3.4Å; Y120-L124 WeakPolarHBondContact O-CB 3.35Å; Y120-L124 PolarHBondContact O-N 3.12Å; Y120-Y125 PolarHBondContact O-N 3Å; Y120-F496 HydrophobicContact CD2-CD1 4.15Å; Y120-F496 HydrophobicContact CD2-CE1 4.13Å; Y120-F496 HydrophobicContact CE1-CD1 4.45Å; Y120-F496 AromaticContact CE2-CD1 3.58Å; Y120-F496 HydrophobicContact CE2-CD1 3.58Å; Y120-F496 HydrophobicContact CE2-CE1 4.03Å; Y120-F496 AromaticContact CZ-CD1 3.75Å; Y120-F496 PolarHBondContact OH-O 3.17Å
121	T	88.6	Confident	86.7	Confident	59 Å²	59	62.1 Å²	62.1	36%	0.362	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-56.6	-179.9	-60.9	0	0	0	0	110	E117 F119 N123 Y125 M126	E117-T121 VanDerWaalsContact O-CB 3.24Å; E117-T121 WeakPolarHBondContact O-CB 3.48Å; E117-T121 PolarHBondContact O-N 2.96Å; E117-T121 PolarHBondContact O-OG1 3.28Å; F119-T121 PolarHBondContact O-N 2.82Å; T121-N123 PolarHBondContact O-N 3.29Å; T121-Y125 HydrophobicContact CG2-CD1 4.2Å; T121-Y125 PolarHBondContact O-N 2.85Å; T121-M126 VanDerWaalsContact O-CG 3.26Å; T121-M126 WeakPolarHBondContact O-CG 3.44Å; T121-M126 PolarHBondContact O-N 2.98Å; T121-M126 VanDerWaalsContact O-N 3.1Å
122	R	88.1	Confident	87.5	Confident	48 Å²	48	62.4 Å²	62.4	18%	0.181	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-39.2	-174.6	180	172.1	62.8	-125.7	-0.1	113.4	D87 R90 N118 F119 W156	D87-R122 IonicContact OD1-CZ 3.62Å; D87-R122 IonicContact OD1-NE 3.32Å; D87-R122 PolarHBondContact OD1-NE 2.9Å; D87-R122 IonicContact OD1-NH2 3.68Å; D87-R122 PolarHBondContact OD1-NH2 3.47Å; D87-R122 VanDerWaalsContact OD1-NH2 3.13Å; D87-R122 IonicContact OD2-CZ 2.86Å; D87-R122 IonicContact OD2-NE 3.15Å; D87-R122 IonicContact OD2-NH2 2.96Å; D87-R122 PolarHBondContact OD2-NH2 3.16Å; R90-R122 VanDerWaalsContact NH1-CD 3.34Å; N118-R122 VanDerWaalsContact O-CB 3.31Å; N118-R122 WeakPolarHBondContact O-CB 3.27Å; N118-R122 PolarHBondContact O-N 2.84Å; F119-R122 PolarHBondContact O-N 2.9Å; R122-W156 HydrophobicContact CG-CH2 4.14Å; R122-W156 HydrophobicContact CG-CZ2 4Å
123	N	89.8	Confident	88.2	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.053	28%	0.279	C	S	.	.	H	α-helix	trans	-99	-35.5	-169.7	-68.7	-50.8	0	0	0	113.7	D87 R90 F119 T121 R127	D87-N123 PolarHBondContact OD1-ND2 2.88Å; D87-N123 PolarHBondContact OD2-ND2 2.84Å; R90-N123 PolarHBondContact NH1-OD1 3.25Å; F119-N123 VanDerWaalsContact CD2-ND2 3.34Å; F119-N123 WeakPolarHBondContact CD2-ND2 3.35Å; F119-N123 WeakPolarHBondContact CE2-ND2 3.27Å; F119-N123 WeakPolarHBondContact O-CB 3.46Å; F119-N123 PolarHBondContact O-N 2.92Å; F119-N123 PolarHBondContact O-ND2 2.86Å; T121-N123 PolarHBondContact O-N 3.29Å; N123-R127 VanDerWaalsContact O-CG 3.26Å; N123-R127 WeakPolarHBondContact O-CG 3.42Å
124	L	90.6	Very high	89.1	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.073	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-61.1	-173.7	-75.3	70	0	0	0	111.3	Y76 L79 F119 Y120 M126 R127	Y76-L124 HydrophobicContact CD1-CD2 4.18Å; Y76-L124 HydrophobicContact CE1-CD2 4.4Å; L79-L124 HydrophobicContact CB-CD2 4.15Å; L79-L124 HydrophobicContact CB-CG 4.22Å; F119-L124 HydrophobicContact CE1-CD1 4.2Å; Y120-L124 HydrophobicContact CD2-CB 4.05Å; Y120-L124 HydrophobicContact CD2-CD2 3.69Å; Y120-L124 HydrophobicContact CD2-CG 4.34Å; Y120-L124 HydrophobicContact CE2-CB 3.87Å; Y120-L124 HydrophobicContact CE2-CD2 3.4Å; Y120-L124 HydrophobicContact CE2-CG 4.23Å; Y120-L124 HydrophobicContact CG-CB 4.44Å; Y120-L124 WeakPolarHBondContact O-CA 3.4Å; Y120-L124 WeakPolarHBondContact O-CB 3.35Å; Y120-L124 PolarHBondContact O-N 3.12Å; L124-M126 PolarHBondContact O-N 2.88Å; L124-R127 WeakPolarHBondContact O-CB 3.4Å; L124-R127 PolarHBondContact O-N 3.33Å
125	Y	90.6	Very high	89.7	Confident	73 Å²	73	52.3 Å²	52.3	29%	0.286	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.1	-46	-174	174.3	-105.4	0	0	0	112.7	Y120 T121 R127 I128 R129 W132	Y120-Y125 PolarHBondContact O-N 3Å; T121-Y125 HydrophobicContact CG2-CD1 4.2Å; T121-Y125 PolarHBondContact O-N 2.85Å; Y125-R127 PolarHBondContact O-N 2.89Å; Y125-R127 VanDerWaalsContact O-N 3.09Å; Y125-I128 PolarHBondContact O-N 2.84Å; Y125-I128 VanDerWaalsContact O-N 3.17Å; Y125-R129 HydrophobicContact CE1-CB 4.32Å; Y125-R129 HydrophobicContact CE1-CG 4.01Å; Y125-R129 PolarHBondContact O-N 2.99Å; Y125-R129 VanDerWaalsContact O-N 3.11Å; Y125-W132 HydrophobicContact CD2-CZ3 4.03Å; Y125-W132 AromaticContact CE2-CE3 3.84Å; Y125-W132 HydrophobicContact CE2-CE3 3.84Å; Y125-W132 AromaticContact CE2-CZ3 3.77Å; Y125-W132 HydrophobicContact CE2-CZ3 3.77Å
126	M	90.8	Very high	90.3	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.049	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31	-179.8	-68.4	-49.2	-72	0	0	112.6	T121 L124 I128 R129 N155 W156	T121-M126 VanDerWaalsContact O-CG 3.26Å; T121-M126 WeakPolarHBondContact O-CG 3.44Å; T121-M126 PolarHBondContact O-N 2.98Å; T121-M126 VanDerWaalsContact O-N 3.1Å; L124-M126 PolarHBondContact O-N 2.88Å; M126-I128 PolarHBondContact O-N 3.02Å; M126-I128 VanDerWaalsContact O-N 3.16Å; M126-R129 PolarHBondContact O-N 2.92Å; M126-N155 WeakPolarHBondContact CE-O 3.36Å; M126-N155 WeakPolarHBondContact O-CB 3.22Å; M126-N155 PolarHBondContact O-ND2 3.05Å; M126-W156 HydrophobicContact CE-CB 4.16Å; M126-W156 HydrophobicContact CE-CD2 3.75Å; M126-W156 HydrophobicContact CE-CE3 4.02Å; M126-W156 HydrophobicContact CE-CG 3.82Å; M126-W156 HydrophobicContact CG-CH2 4.43Å; M126-W156 HydrophobicContact CG-CZ2 4.07Å
127	R	90.4	Very high	90.8	Very high	58 Å²	58	47.8 Å²	47.8	22%	0.219	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-65.9	-22.7	-176.6	-58.2	-67.2	153.3	-157	-13.7	114.6	N123 L124 Y125 N155 R482	N123-R127 VanDerWaalsContact O-CG 3.26Å; N123-R127 WeakPolarHBondContact O-CG 3.42Å; L124-R127 WeakPolarHBondContact O-CB 3.4Å; L124-R127 PolarHBondContact O-N 3.33Å; Y125-R127 PolarHBondContact O-N 2.89Å; Y125-R127 VanDerWaalsContact O-N 3.09Å; R127-N155 PolarHBondContact O-ND2 3.4Å; R127-R482 PolarHBondContact O-NH2 3.3Å
128	I	92.6	Very high	91.3	Very high	30 Å²	30	45 Å²	45	15%	0.154	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-125.9	7.6	-176.5	55	170.4	0	0	0	112.5	Y125 M126 D130 N131 W132 I477	Y125-I128 PolarHBondContact O-N 2.84Å; Y125-I128 VanDerWaalsContact O-N 3.17Å; M126-I128 PolarHBondContact O-N 3.02Å; M126-I128 VanDerWaalsContact O-N 3.16Å; I128-D130 VanDerWaalsContact C-OD1 3.31Å; I128-D130 PolarHBondContact O-N 3.06Å; I128-N131 WeakPolarHBondContact O-CB 3.33Å; I128-N131 PolarHBondContact O-N 2.65Å; I128-N131 PolarHBondContact O-ND2 3.09Å; I128-W132 HydrophobicContact CB-CH2 4.36Å; I128-W132 HydrophobicContact CB-CZ3 4.28Å; I128-W132 HydrophobicContact CD1-CH2 3.53Å; I128-W132 HydrophobicContact CD1-CZ3 4.17Å; I128-W132 HydrophobicContact CG1-CH2 3.65Å; I128-W132 HydrophobicContact CG1-CZ3 3.74Å; I128-W132 WeakPolarHBondContact O-CZ3 3.37Å; I128-I477 HydrophobicContact CD1-CG2 4.4Å
129	R	92.9	Very high	91.6	Very high	74 Å²	74	46 Å²	46	28%	0.279	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-54.4	-26.2	-178.1	-178.6	179.5	171.3	-145.5	8	113.9	Y125 M126 N131 W132 N155 W156 F158	Y125-R129 HydrophobicContact CE1-CB 4.32Å; Y125-R129 HydrophobicContact CE1-CG 4.01Å; Y125-R129 PolarHBondContact O-N 2.99Å; Y125-R129 VanDerWaalsContact O-N 3.11Å; M126-R129 PolarHBondContact O-N 2.92Å; R129-N131 PolarHBondContact O-N 2.89Å; R129-N131 VanDerWaalsContact O-N 3.1Å; R129-W132 PolarHBondContact O-N 2.89Å; R129-W132 VanDerWaalsContact O-N 3.11Å; R129-N155 HydrophobicContact CB-CB 4.09Å; R129-N155 PolarHBondContact NH1-O 3.08Å; R129-W156 PolarHBondContact NH1-O 3.15Å; R129-F158 HydrophobicContact CG-CE2 4.15Å
130	D	93.1	Very high	91.7	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.112	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.1	-16.1	175.8	60.1	-67.6	0	0	0	114.3	I128 R134 R149 N155 F158 R482	I128-D130 VanDerWaalsContact C-OD1 3.31Å; I128-D130 PolarHBondContact O-N 3.06Å; D130-R134 PolarHBondContact O-NE 3.34Å; D130-R134 PolarHBondContact O-NH2 3.2Å; D130-R134 VanDerWaalsContact O-NH2 3.13Å; D130-R149 VanDerWaalsContact C-NH2 3.31Å; D130-R149 PolarHBondContact O-NH2 2.91Å; D130-N155 PolarHBondContact OD1-ND2 3.4Å; D130-F158 HydrophobicContact CB-CE1 3.87Å; D130-F158 HydrophobicContact CB-CZ 3.94Å; D130-R482 IonicContact OD1-CZ 3.94Å; D130-R482 IonicContact OD1-NE 3.93Å; D130-R482 IonicContact OD1-NH2 3.75Å; D130-R482 PolarHBondContact OD1-NH2 3.01Å; D130-R482 IonicContact OD2-CZ 2.87Å; D130-R482 IonicContact OD2-NE 3.8Å; D130-R482 PolarHBondContact OD2-NE 3.43Å; D130-R482 IonicContact OD2-NH2 2.63Å; D130-R482 PolarHBondContact OD2-NH2 3.39Å
131	N	93.4	Very high	91.8	Very high	15 Å²	15	46.8 Å²	46.8	8%	0.08	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-76.3	-18.6	175.3	-70.2	-84.5	0	0	0	113.9	I128 R129 G478 G481 R482 V493	I128-N131 WeakPolarHBondContact O-CB 3.33Å; I128-N131 PolarHBondContact O-N 2.65Å; I128-N131 PolarHBondContact O-ND2 3.09Å; R129-N131 PolarHBondContact O-N 2.89Å; R129-N131 VanDerWaalsContact O-N 3.1Å; N131-G478 WeakPolarHBondContact ND2-CA 3.23Å; N131-G478 PolarHBondContact OD1-O 2.97Å; N131-G481 VanDerWaalsContact OD1-CA 3.32Å; N131-G481 WeakPolarHBondContact OD1-CA 3.22Å; N131-R482 PolarHBondContact OD1-N 2.99Å; N131-V493 HydrophobicContact CB-CG2 3.99Å
132	W	92.2	Very high	92.1	Very high	54 Å²	54	44.8 Å²	44.8	21%	0.205	23%	0.229	C	C	.	.	S	Bend	trans	-122.1	162.2	-173.7	-56.4	-79.4	0	0	0	114.4	Y125 I128 R129 R134 R149 I477 V493	Y125-W132 HydrophobicContact CD2-CZ3 4.03Å; Y125-W132 AromaticContact CE2-CE3 3.84Å; Y125-W132 HydrophobicContact CE2-CE3 3.84Å; Y125-W132 AromaticContact CE2-CZ3 3.77Å; Y125-W132 HydrophobicContact CE2-CZ3 3.77Å; I128-W132 HydrophobicContact CB-CH2 4.36Å; I128-W132 HydrophobicContact CB-CZ3 4.28Å; I128-W132 HydrophobicContact CD1-CH2 3.53Å; I128-W132 HydrophobicContact CD1-CZ3 4.17Å; I128-W132 HydrophobicContact CG1-CH2 3.65Å; I128-W132 HydrophobicContact CG1-CZ3 3.74Å; I128-W132 WeakPolarHBondContact O-CZ3 3.37Å; R129-W132 PolarHBondContact O-N 2.89Å; R129-W132 VanDerWaalsContact O-N 3.11Å; W132-R134 VanDerWaalsContact C-N 3.32Å; W132-R134 PolarHBondContact O-N 3.16Å; W132-R149 VanDerWaalsContact O-CZ 3.28Å; W132-R149 PolarHBondContact O-NH1 3.12Å; W132-R149 VanDerWaalsContact O-NH1 3.08Å; W132-R149 PolarHBondContact O-NH2 3.32Å; W132-I477 HydrophobicContact CZ2-CG2 4.44Å; W132-V493 HydrophobicContact CZ2-CG2 4.03Å; W132-V493 PolarHBondContact NE1-O 3.16Å
133	N	90.4	Very high	92.5	Very high	118 Å²	118	47.9 Å²	47.9	63%	0.631	24%	0.241	S	C	*	.			trans	61.3	36.7	176.3	-50.6	-44.6	0	0	0	113.4	P135 R149	N133-P135 WeakPolarHBondContact O-CD 3.47Å; N133-R149 VanDerWaalsContact C-NH1 3.32Å; N133-R149 PolarHBondContact O-NH1 3.42Å
134	R	91.4	Very high	92.9	Very high	63 Å²	63	47.8 Å²	47.8	24%	0.238	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-78.4	122.5	174.2	-69.5	169.6	173.6	-113.9	5.6	108.8	D130 W132 I136 I146	D130-R134 PolarHBondContact O-NE 3.34Å; D130-R134 PolarHBondContact O-NH2 3.2Å; D130-R134 VanDerWaalsContact O-NH2 3.13Å; W132-R134 VanDerWaalsContact C-N 3.32Å; W132-R134 PolarHBondContact O-N 3.16Å; R134-I136 PolarHBondContact O-N 3.05Å; R134-I146 HydrophobicContact CB-CG2 3.93Å
135	P	93.6	Very high	93.2	Very high	40 Å²	40	49.1 Å²	49.1	26%	0.26	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-66.3	134.4	178.3	-18.7	31.4	0	0	0	111.1	N133 M147 Y160	N133-P135 WeakPolarHBondContact O-CD 3.47Å; P135-M147 HydrophobicContact CB-CB 4.1Å; P135-M147 HydrophobicContact CG-CB 4.38Å; P135-M147 PolarHBondContact O-N 3.05Å; P135-Y160 HydrophobicContact CG-CE1 3.77Å
136	I	94.4	Very high	93.5	Very high	91 Å²	91	46.1 Å²	46.1	47%	0.467	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-88.7	146.3	167.8	62	173	0	0	0	109.7	R134 P140 V144 D145	R134-I136 PolarHBondContact O-N 3.05Å; I136-P140 HydrophobicContact CD1-CB 4.14Å; I136-V144 HydrophobicContact CG2-CB 4.37Å; I136-V144 HydrophobicContact CG2-CG2 4.48Å; I136-D145 CarbonylContact C-O 3.52Å; I136-D145 VanDerWaalsContact CA-O 3.29Å; I136-D145 WeakPolarHBondContact CA-O 3.38Å
137	C	94.6	Very high	93.7	Very high	60 Å²	60	47.4 Å²	47.4	41%	0.405	24%	0.243	S	C	.	.			trans	-117.7	6	-178.6	-60.5	0	0	0	0	113	D145 I164	C137-D145 HydrophobicContact CB-CB 4.27Å; C137-D145 PolarHBondContact N-O 3.35Å; C137-I164 HydrophobicContact CB-CD1 4.38Å
138	S	94.6	Very high	93.9	Very high	39 Å²	39	47.2 Å²	47.2	27%	0.273	24%	0.244	S	C	.	.	S	Bend	trans	-131	179	178.2	68.5	0	0	0	0	110.7	V144 D145	S138-V144 VanDerWaalsContact OG-CA 3.3Å; S138-V144 WeakPolarHBondContact OG-CA 3.43Å; S138-D145 PolarHBondContact OG-N 3.4Å
139	V	92.6	Very high	94	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.309	24%	0.243	S	C	.	.			trans	-58.9	146.3	165.9	-65.6	0	0	0	0	111.3	G141 N182	V139-G141 PolarHBondContact O-N 3.29Å; V139-N182 HydrophobicContact CG1-CB 3.55Å
140	P	90.7	Very high	94	Very high	46 Å²	46	48.3 Å²	48.3	30%	0.299	25%	0.25	S	S	.	.	S	Bend	trans	-79.6	52	180	35	-37.2	0	0	0	112.5	I136 N175 A180	I136-P140 HydrophobicContact CD1-CB 4.14Å; P140-N175 PolarHBondContact O-ND2 3.34Å; P140-A180 HydrophobicContact CG-CB 3.94Å
141	G	93.2	Very high	94	Very high	9 Å²	9	48.8 Å²	48.8	9%	0.093	26%	0.255	C	S	.	.	S	Bend	trans	-81.2	-162.3	178.7	0	0	0	0	0	113.5	V139 R143 N170	V139-G141 PolarHBondContact O-N 3.29Å; G141-R143 PolarHBondContact O-N 3.06Å; G141-N170 VanDerWaalsContact O-CB 3.28Å; G141-N170 WeakPolarHBondContact O-CB 3.34Å; G141-N170 PolarHBondContact O-ND2 3.37Å
142	A	95.1	Very high	93.9	Very high	17 Å²	17	54.7 Å²	54.7	14%	0.14	28%	0.282	C	S	.	.	S	Bend	trans	-61.8	-24.2	176.1	0	0	0	0	0	113.4	N170 A513 I518	A142-N170 PolarHBondContact O-N 2.82Å; A142-A513 HydrophobicContact CB-CB 3.94Å; A142-A513 VanDerWaalsContact CB-O 3.31Å; A142-A513 WeakPolarHBondContact CB-O 3.24Å; A142-I518 HydrophobicContact CB-CD1 4.26Å
143	R	96.4	Very high	93.8	Very high	113 Å²	113	53.5 Å²	53.5	43%	0.426	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.3	168.9	-67.5	-177.8	178.2	-91.2	-0.8	109.5	G141 G167 V168	G141-R143 PolarHBondContact O-N 3.06Å; R143-G167 PolarHBondContact NH1-O 2.9Å; R143-V168 CarbonylContact C-O 3.18Å; R143-V168 WeakPolarHBondContact CA-O 3.15Å
144	V	96.6	Very high	93.7	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.1	177.8	-65.9	0	0	0	0	111.4	I136 S138 I146 V168 N170	I136-V144 HydrophobicContact CG2-CB 4.37Å; I136-V144 HydrophobicContact CG2-CG2 4.48Å; S138-V144 VanDerWaalsContact OG-CA 3.3Å; S138-V144 WeakPolarHBondContact OG-CA 3.43Å; V144-I146 HydrophobicContact CG2-CD1 4.33Å; V144-I146 HydrophobicContact CG2-CG1 4.11Å; V144-V168 HydrophobicContact CG2-CB 4.33Å; V144-V168 PolarHBondContact N-O 2.95Å; V144-V168 VanDerWaalsContact O-CB 3.31Å; V144-V168 WeakPolarHBondContact O-CB 3.37Å; V144-V168 PolarHBondContact O-N 3Å; V144-N170 HydrophobicContact CG1-CB 4.04Å; V144-N170 HydrophobicContact CG2-CB 4.18Å
145	D	97.1	Very high	93.7	Very high	42 Å²	42	53.8 Å²	53.8	23%	0.225	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.1	168.6	-70.8	-5.5	0	0	0	108.9	I136 C137 S138 I164 I165 K166 G167	I136-D145 CarbonylContact C-O 3.52Å; I136-D145 VanDerWaalsContact CA-O 3.29Å; I136-D145 WeakPolarHBondContact CA-O 3.38Å; C137-D145 HydrophobicContact CB-CB 4.27Å; C137-D145 PolarHBondContact N-O 3.35Å; S138-D145 PolarHBondContact OG-N 3.4Å; D145-I164 HydrophobicContact CB-CG2 3.64Å; D145-I165 WeakPolarHBondContact CA-O 3.39Å; D145-K166 VanDerWaalsContact OD1-CA 3.26Å; D145-K166 WeakPolarHBondContact OD1-CA 3.06Å; D145-G167 PolarHBondContact OD1-N 3.33Å
146	I	96.6	Very high	93.5	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.056	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.1	-175.6	-60.8	-177.6	0	0	0	110	R134 V144 E148 I165 V168 L485	R134-I146 HydrophobicContact CB-CG2 3.93Å; V144-I146 HydrophobicContact CG2-CD1 4.33Å; V144-I146 HydrophobicContact CG2-CG1 4.11Å; I146-E148 PolarHBondContact O-N 2.92Å; I146-I165 HydrophobicContact CB-CB 4.49Å; I146-I165 PolarHBondContact N-O 2.94Å; I146-I165 PolarHBondContact O-N 3.41Å; I146-V168 HydrophobicContact CD1-CB 4.09Å; I146-V168 HydrophobicContact CD1-CG1 3.9Å; I146-V168 HydrophobicContact CD1-CG2 4.03Å; I146-V168 HydrophobicContact CG1-CB 4.41Å; I146-V168 HydrophobicContact CG1-CG2 4.18Å; I146-L485 HydrophobicContact CD1-CD1 3.9Å
147	M	96.1	Very high	93.4	Very high	37 Å²	37	52.6 Å²	52.6	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	120.4	172.1	179.9	55.5	62.1	0	0	109.8	P135 Y160 I164	P135-M147 HydrophobicContact CB-CB 4.1Å; P135-M147 HydrophobicContact CG-CB 4.38Å; P135-M147 PolarHBondContact O-N 3.05Å; M147-Y160 HydrophobicContact CG-CD1 3.55Å; M147-Y160 HydrophobicContact CG-CE1 4.15Å; M147-Y160 HydrophobicContact CG-CG 3.98Å; M147-I164 HydrophobicContact CE-CG1 4.24Å
148	E	94.9	Very high	93.3	Very high	54 Å²	54	51.9 Å²	51.9	25%	0.252	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.6	174.5	-177.9	-175.1	-129	0	0	110.1	I146 T161 N163 I165	I146-E148 PolarHBondContact O-N 2.92Å; E148-T161 WeakPolarHBondContact CB-OG1 3.47Å; E148-T161 HydrophobicContact CG-CG2 4Å; E148-T161 WeakPolarHBondContact CG-OG1 3.28Å; E148-T161 PolarHBondContact O-N 2.89Å; E148-T161 VanDerWaalsContact O-N 3.12Å; E148-T161 PolarHBondContact O-OG1 3.06Å; E148-T161 WeakPolarHBondContact OE2-CB 3.2Å; E148-T161 WeakPolarHBondContact OE2-CG2 3.19Å; E148-T161 PolarHBondContact OE2-OG1 2.94Å; E148-N163 HydrophobicContact CB-CB 4.2Å; E148-N163 WeakPolarHBondContact CB-O 3.15Å; E148-N163 PolarHBondContact N-O 3Å; E148-N163 WeakPolarHBondContact OE2-CB 3.28Å; E148-N163 PolarHBondContact OE2-ND2 3.13Å; E148-I165 HydrophobicContact CB-CD1 4.47Å; E148-I165 HydrophobicContact CB-CG1 4.3Å
149	R	94.6	Very high	93.4	Very high	36 Å²	36	56.8 Å²	56.8	14%	0.136	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.3	176.6	67.9	-174	-177.6	174.2	3.4	110.2	D130 W132 N133 F158 K159 Y160	D130-R149 VanDerWaalsContact C-NH2 3.31Å; D130-R149 PolarHBondContact O-NH2 2.91Å; W132-R149 VanDerWaalsContact O-CZ 3.28Å; W132-R149 PolarHBondContact O-NH1 3.12Å; W132-R149 VanDerWaalsContact O-NH1 3.08Å; W132-R149 PolarHBondContact O-NH2 3.32Å; N133-R149 VanDerWaalsContact C-NH1 3.32Å; N133-R149 PolarHBondContact O-NH1 3.42Å; R149-F158 HydrophobicContact CB-CB 4.24Å; R149-F158 HydrophobicContact CB-CD1 4.38Å; R149-F158 HydrophobicContact CG-CB 4.41Å; R149-F158 HydrophobicContact CG-CD1 3.85Å; R149-F158 HydrophobicContact CG-CG 4.32Å; R149-K159 VanDerWaalsContact CA-O 3.28Å; R149-K159 WeakPolarHBondContact CA-O 3.46Å; R149-Y160 HydrophobicContact CB-CD1 3.95Å; R149-Y160 HydrophobicContact CB-CE1 4.32Å
150	Q	93.3	Very high	93.5	Very high	90 Å²	90	61.5 Å²	61.5	42%	0.421	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.9	177.3	-66.9	-178.8	16.5	0	0	110.1	F158 K159 T161	Q150-F158 CarbonylContact O-C 3.6Å; Q150-F158 WeakPolarHBondContact O-CA 3.43Å; Q150-K159 PolarHBondContact N-O 3.03Å; Q150-K159 PolarHBondContact O-N 3.47Å; Q150-T161 HydrophobicContact CB-CG2 4.31Å; Q150-T161 HydrophobicContact CG-CG2 3.66Å
151	S	92.8	Very high	93.7	Very high	31 Å²	31	61.7 Å²	61.7	22%	0.217	29%	0.288	C	S	.	.			trans	-121	138	173.2	177.9	0	0	0	0	109.5	D153 N155 S157	S151-D153 PolarHBondContact OG-N 3.23Å; S151-D153 PolarHBondContact OG-OD1 3Å; S151-N155 WeakPolarHBondContact OG-CA 3.34Å; S151-N155 PolarHBondContact OG-N 3.15Å; S151-S157 WeakPolarHBondContact CB-O 3.37Å; S151-S157 PolarHBondContact OG-O 2.74Å
152	H	91.1	Very high	93.7	Very high	139 Å²	139	64 Å²	64	64%	0.644	31%	0.312	S	S	*	.	S	Bend	trans	-113.9	7.9	176.2	-54.2	-68.4	0	0	0	112.2
153	D	89.7	Confident	93.7	Very high	30 Å²	30	67.9 Å²	67.9	16%	0.16	33%	0.33	C	S	.	.	S	Bend	trans	-133.9	30.3	-174.1	63.7	2.6	0	0	0	111.6	S151 W156 S157	S151-D153 PolarHBondContact OG-N 3.23Å; S151-D153 PolarHBondContact OG-OD1 3Å; D153-W156 HydrophobicContact CB-CB 4.38Å; D153-W156 PolarHBondContact OD1-N 3.39Å; D153-W156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S157 VanDerWaalsContact CG-N 3.32Å; D153-S157 VanDerWaalsContact CG-OG 3.29Å; D153-S157 PolarHBondContact OD1-N 3.4Å; D153-S157 PolarHBondContact OD1-OG 2.82Å; D153-S157 WeakPolarHBondContact OD2-CB 3.34Å; D153-S157 PolarHBondContact OD2-N 2.67Å; D153-S157 PolarHBondContact OD2-OG 3.41Å
154	Y	87.6	Confident	93.8	Very high	166 Å²	166	66 Å²	66	65%	0.651	33%	0.328	S	S	*	.	S	Bend	trans	60.1	49	-178.5	-53.5	-86.8	0	0	0	113.5	W156	Y154-W156 VanDerWaalsContact C-N 3.31Å; Y154-W156 PolarHBondContact O-N 3.39Å
155	N	92	Very high	93.8	Very high	21 Å²	21	67.4 Å²	67.4	11%	0.112	34%	0.335	C	S	.	.	S	Bend	trans	67.7	16.9	176.3	-52.1	-35.8	0	0	0	116	M126 R127 R129 D130 S151 F158	M126-N155 WeakPolarHBondContact CE-O 3.36Å; M126-N155 WeakPolarHBondContact O-CB 3.22Å; M126-N155 PolarHBondContact O-ND2 3.05Å; R127-N155 PolarHBondContact O-ND2 3.4Å; R129-N155 HydrophobicContact CB-CB 4.09Å; R129-N155 PolarHBondContact NH1-O 3.08Å; D130-N155 PolarHBondContact OD1-ND2 3.4Å; S151-N155 WeakPolarHBondContact OG-CA 3.34Å; S151-N155 PolarHBondContact OG-N 3.15Å; N155-F158 HydrophobicContact CB-CE1 4.36Å; N155-F158 HydrophobicContact CB-CE2 4.32Å; N155-F158 HydrophobicContact CB-CZ 3.69Å
156	W	89.7	Confident	93.8	Very high	47 Å²	47	72.7 Å²	72.7	18%	0.178	36%	0.356	C	S	.	.	S	Bend	trans	-70	-45.5	173.4	-78.2	79.6	0	0	0	111.4	H98 H99 R122 M126 R129 D153 Y154	H98-W156 HydrophobicContact CB-CD2 3.42Å; H98-W156 VanDerWaalsContact CB-CD2 3.42Å; H98-W156 HydrophobicContact CB-CE3 3.73Å; H98-W156 HydrophobicContact CB-CG 3.8Å; H98-W156 HydrophobicContact CB-CH2 4.41Å; H98-W156 HydrophobicContact CB-CZ2 4.14Å; H98-W156 HydrophobicContact CB-CZ3 4.22Å; H99-W156 HydrophobicContact CB-CH2 3.69Å; H99-W156 HydrophobicContact CB-CZ3 4.03Å; H99-W156 AromaticContact ND1-CH2 3.85Å; H99-W156 AromaticContact ND1-CZ3 3.88Å; R122-W156 HydrophobicContact CG-CH2 4.14Å; R122-W156 HydrophobicContact CG-CZ2 4Å; M126-W156 HydrophobicContact CE-CB 4.16Å; M126-W156 HydrophobicContact CE-CD2 3.75Å; M126-W156 HydrophobicContact CE-CE3 4.02Å; M126-W156 HydrophobicContact CE-CG 3.82Å; M126-W156 HydrophobicContact CG-CH2 4.43Å; M126-W156 HydrophobicContact CG-CZ2 4.07Å; R129-W156 PolarHBondContact NH1-O 3.15Å; D153-W156 HydrophobicContact CB-CB 4.38Å; D153-W156 PolarHBondContact OD1-N 3.39Å; D153-W156 WeakPolarHBondContact OD2-CB 3.27Å; Y154-W156 VanDerWaalsContact C-N 3.31Å; Y154-W156 PolarHBondContact O-N 3.39Å
157	S	91.3	Very high	93.7	Very high	58 Å²	58	73.3 Å²	73.3	41%	0.406	37%	0.365	S	S	.	.	S	Bend	trans	-124	156	170.4	66.5	0	0	0	0	111	S151 D153	S151-S157 WeakPolarHBondContact CB-O 3.37Å; S151-S157 PolarHBondContact OG-O 2.74Å; D153-S157 VanDerWaalsContact CG-N 3.32Å; D153-S157 VanDerWaalsContact CG-OG 3.29Å; D153-S157 PolarHBondContact OD1-N 3.4Å; D153-S157 PolarHBondContact OD1-OG 2.82Å; D153-S157 WeakPolarHBondContact OD2-CB 3.34Å; D153-S157 PolarHBondContact OD2-N 2.67Å; D153-S157 PolarHBondContact OD2-OG 3.41Å
158	F	94.3	Very high	93.8	Very high	45 Å²	45	71.5 Å²	71.5	20%	0.197	36%	0.356	C	S	.	.			trans	-124.9	134.4	173.7	-68.9	-78.9	0	0	0	109	R129 D130 R149 Q150 N155	R129-F158 HydrophobicContact CG-CE2 4.15Å; D130-F158 HydrophobicContact CB-CE1 3.87Å; D130-F158 HydrophobicContact CB-CZ 3.94Å; R149-F158 HydrophobicContact CB-CB 4.24Å; R149-F158 HydrophobicContact CB-CD1 4.38Å; R149-F158 HydrophobicContact CG-CB 4.41Å; R149-F158 HydrophobicContact CG-CD1 3.85Å; R149-F158 HydrophobicContact CG-CG 4.32Å; Q150-F158 CarbonylContact O-C 3.6Å; Q150-F158 WeakPolarHBondContact O-CA 3.43Å; N155-F158 HydrophobicContact CB-CE1 4.36Å; N155-F158 HydrophobicContact CB-CE2 4.32Å; N155-F158 HydrophobicContact CB-CZ 3.69Å
159	K	95.3	Very high	94	Very high	142 Å²	142	69.1 Å²	69.1	62%	0.617	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	131	168.3	-65.8	-176	179.7	-178.2	0	108.4	R149 Q150	R149-K159 VanDerWaalsContact CA-O 3.28Å; R149-K159 WeakPolarHBondContact CA-O 3.46Å; Q150-K159 PolarHBondContact N-O 3.03Å; Q150-K159 PolarHBondContact O-N 3.47Å
160	Y	95.2	Very high	94.1	Very high	150 Å²	150	68.4 Å²	68.4	59%	0.588	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.5	170	-59.2	-47.2	0	0	0	108.9	P135 M147 R149 G162	P135-Y160 HydrophobicContact CG-CE1 3.77Å; M147-Y160 HydrophobicContact CG-CD1 3.55Å; M147-Y160 HydrophobicContact CG-CE1 4.15Å; M147-Y160 HydrophobicContact CG-CG 3.98Å; R149-Y160 HydrophobicContact CB-CD1 3.95Å; R149-Y160 HydrophobicContact CB-CE1 4.32Å; Y160-G162 VanDerWaalsContact C-N 3.31Å
161	T	94.2	Very high	94.3	Very high	50 Å²	50	64.1 Å²	64.1	31%	0.307	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-16.6	-178.6	62.4	0	0	0	0	112.1	E148 Q150 N163	E148-T161 WeakPolarHBondContact CB-OG1 3.47Å; E148-T161 HydrophobicContact CG-CG2 4Å; E148-T161 WeakPolarHBondContact CG-OG1 3.28Å; E148-T161 PolarHBondContact O-N 2.89Å; E148-T161 VanDerWaalsContact O-N 3.12Å; E148-T161 PolarHBondContact O-OG1 3.06Å; E148-T161 WeakPolarHBondContact OE2-CB 3.2Å; E148-T161 WeakPolarHBondContact OE2-CG2 3.19Å; E148-T161 PolarHBondContact OE2-OG1 2.94Å; Q150-T161 HydrophobicContact CB-CG2 4.31Å; Q150-T161 HydrophobicContact CG-CG2 3.66Å; T161-N163 WeakPolarHBondContact OG1-CB 3.34Å; T161-N163 PolarHBondContact OG1-N 3.5Å
162	G	93.4	Very high	94.3	Very high	58 Å²	58	63.5 Å²	63.5	60%	0.598	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	85.2	-11.1	-169.8	0	0	0	0	0	113.3	Y160	Y160-G162 VanDerWaalsContact C-N 3.31Å
163	N	95.9	Very high	94.4	Very high	98 Å²	98	58.5 Å²	58.5	52%	0.524	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	148.8	175.1	-59	-37.1	0	0	0	111.1	E148 T161	E148-N163 HydrophobicContact CB-CB 4.2Å; E148-N163 WeakPolarHBondContact CB-O 3.15Å; E148-N163 PolarHBondContact N-O 3Å; E148-N163 WeakPolarHBondContact OE2-CB 3.28Å; E148-N163 PolarHBondContact OE2-ND2 3.13Å; T161-N163 WeakPolarHBondContact OG1-CB 3.34Å; T161-N163 PolarHBondContact OG1-N 3.5Å
164	I	97.2	Very high	94.7	Very high	74 Å²	74	59.9 Å²	59.9	38%	0.379	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.3	177.3	-61.1	176.4	0	0	0	108.5	C137 D145 M147 K166	C137-I164 HydrophobicContact CB-CD1 4.38Å; D145-I164 HydrophobicContact CB-CG2 3.64Å; M147-I164 HydrophobicContact CE-CG1 4.24Å; I164-K166 HydrophobicContact CG2-CG 4.06Å; I164-K166 PolarHBondContact O-N 3.44Å
165	I	96.7	Very high	95.1	Very high	37 Å²	37	52.3 Å²	52.3	19%	0.19	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	105.7	169.7	-52	172.2	0	0	0	106.5	D145 I146 E148 V168 L485 N488	D145-I165 WeakPolarHBondContact CA-O 3.39Å; I146-I165 HydrophobicContact CB-CB 4.49Å; I146-I165 PolarHBondContact N-O 2.94Å; I146-I165 PolarHBondContact O-N 3.41Å; E148-I165 HydrophobicContact CB-CD1 4.47Å; E148-I165 HydrophobicContact CB-CG1 4.3Å; I165-V168 HydrophobicContact CB-CG2 4.24Å; I165-V168 HydrophobicContact CG2-CG2 3.58Å; I165-L485 HydrophobicContact CD1-CD2 4.12Å; I165-N488 WeakPolarHBondContact CG2-OD1 3.21Å
166	K	97	Very high	95.4	Very high	153 Å²	153	51.3 Å²	51.3	67%	0.665	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.9	-172.2	-66.3	-169.1	176.4	-173.7	0	112.8	D145 I164 V168	D145-K166 VanDerWaalsContact OD1-CA 3.26Å; D145-K166 WeakPolarHBondContact OD1-CA 3.06Å; I164-K166 HydrophobicContact CG2-CG 4.06Å; I164-K166 PolarHBondContact O-N 3.44Å; K166-V168 VanDerWaalsContact C-N 3.31Å; K166-V168 PolarHBondContact O-N 3.47Å
167	G	96	Very high	95.8	Very high	23 Å²	23	49 Å²	49	24%	0.237	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.6	28.3	165.4	0	0	0	0	0	115	R143 D145 I169	R143-G167 PolarHBondContact NH1-O 2.9Å; D145-G167 PolarHBondContact OD1-N 3.33Å; G167-I169 PolarHBondContact O-N 2.85Å
168	V	98.1	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.1	176.7	-179.5	0	0	0	0	109.2	R143 V144 I146 I165 K166 N170 N488 G490	R143-V168 CarbonylContact C-O 3.18Å; R143-V168 WeakPolarHBondContact CA-O 3.15Å; V144-V168 HydrophobicContact CG2-CB 4.33Å; V144-V168 PolarHBondContact N-O 2.95Å; V144-V168 VanDerWaalsContact O-CB 3.31Å; V144-V168 WeakPolarHBondContact O-CB 3.37Å; V144-V168 PolarHBondContact O-N 3Å; I146-V168 HydrophobicContact CD1-CB 4.09Å; I146-V168 HydrophobicContact CD1-CG1 3.9Å; I146-V168 HydrophobicContact CD1-CG2 4.03Å; I146-V168 HydrophobicContact CG1-CB 4.41Å; I146-V168 HydrophobicContact CG1-CG2 4.18Å; I165-V168 HydrophobicContact CB-CG2 4.24Å; I165-V168 HydrophobicContact CG2-CG2 3.58Å; K166-V168 VanDerWaalsContact C-N 3.31Å; K166-V168 PolarHBondContact O-N 3.47Å; V168-N170 PolarHBondContact O-N 3.33Å; V168-N488 CarbonylContact C-O 3.53Å; V168-N488 WeakPolarHBondContact CA-O 3.41Å; V168-G490 VanDerWaalsContact CG1-N 3.25Å
169	I	98.2	Very high	96	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	121.3	176.5	-61.3	175.9	0	0	0	108.4	G167 M171 N488 V489 G490 I518 T521	G167-I169 PolarHBondContact O-N 2.85Å; I169-M171 HydrophobicContact CG2-CG 3.93Å; I169-M171 HydrophobicContact CG2-SD 3.79Å; I169-M171 PolarHBondContact O-N 2.74Å; I169-N488 PolarHBondContact N-O 3.39Å; I169-V489 HydrophobicContact CB-CG1 4.48Å; I169-V489 HydrophobicContact CD1-CG2 4.35Å; I169-G490 WeakPolarHBondContact O-CA 3.31Å; I169-G490 PolarHBondContact O-N 3.4Å; I169-I518 HydrophobicContact CD1-CG2 4.23Å; I169-I518 HydrophobicContact CG1-CG2 4.3Å; I169-I518 HydrophobicContact CG2-CG2 3.51Å; I169-T521 HydrophobicContact CD1-CG2 3.88Å
170	N	97.4	Very high	95.9	Very high	20 Å²	20	38.7 Å²	38.7	11%	0.107	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	102.9	-177.1	-178.7	8.7	0	0	0	110.3	G141 A142 V144 V168 G172 S173 H514	G141-N170 VanDerWaalsContact O-CB 3.28Å; G141-N170 WeakPolarHBondContact O-CB 3.34Å; G141-N170 PolarHBondContact O-ND2 3.37Å; A142-N170 PolarHBondContact O-N 2.82Å; V144-N170 HydrophobicContact CG1-CB 4.04Å; V144-N170 HydrophobicContact CG2-CB 4.18Å; V168-N170 PolarHBondContact O-N 3.33Å; N170-G172 PolarHBondContact OD1-N 3.39Å; N170-S173 WeakPolarHBondContact ND2-CB 3.37Å; N170-S173 PolarHBondContact OD1-N 2.8Å; N170-H514 PolarHBondContact O-CE1 3.25Å; N170-H514 PolarHBondContact O-NE2 3.23Å
171	M	97.2	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.			trans	-108.8	14.1	175.3	-55	-64	-70.3	0	0	112.8	I169 F447 V489 G490 F508 C509 L510 L519 A522	I169-M171 HydrophobicContact CG2-CG 3.93Å; I169-M171 HydrophobicContact CG2-SD 3.79Å; I169-M171 PolarHBondContact O-N 2.74Å; M171-F447 HydrophobicContact CE-CD2 4.24Å; M171-F447 HydrophobicContact CE-CE1 4.32Å; M171-F447 HydrophobicContact CE-CE2 3.64Å; M171-F447 HydrophobicContact CE-CZ 3.68Å; M171-V489 HydrophobicContact CG-CG1 3.96Å; M171-G490 PolarHBondContact N-O 3.11Å; M171-F508 HydrophobicContact CB-CD1 3.73Å; M171-F508 HydrophobicContact CB-CE1 4.4Å; M171-F508 HydrophobicContact CE-CD1 4.33Å; M171-F508 HydrophobicContact CG-CD1 4.32Å; M171-F508 CarbonylContact O-C 3.55Å; M171-F508 VanDerWaalsContact O-CA 3.31Å; M171-F508 WeakPolarHBondContact O-CA 3.34Å; M171-C509 PolarHBondContact O-N 3.49Å; M171-L510 HydrophobicContact CE-CD1 3.77Å; M171-L519 HydrophobicContact CE-CD2 4.04Å; M171-A522 HydrophobicContact CE-CB 4.44Å; M171-A522 HydrophobicContact SD-CB 4.3Å
172	G	93.4	Very high	95.5	Very high	19 Å²	19	39.1 Å²	39.1	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	-120.7	-1.6	-171.1	0	0	0	0	0	115.3	N170	N170-G172 PolarHBondContact OD1-N 3.39Å
173	S	93.6	Very high	95.4	Very high	34 Å²	34	40.8 Å²	40.8	24%	0.238	22%	0.215	C	C	.	.			trans	-94.1	145.8	-176.9	-179.4	0	0	0	0	111.9	N170 N175 C509	N170-S173 WeakPolarHBondContact ND2-CB 3.37Å; N170-S173 PolarHBondContact OD1-N 2.8Å; S173-N175 PolarHBondContact O-N 3.29Å; S173-N175 WeakPolarHBondContact OG-CB 3.27Å; S173-N175 PolarHBondContact OG-N 3.07Å; S173-C509 WeakPolarHBondContact O-CB 3.4Å
174	Y	95.4	Very high	95.2	Very high	58 Å²	58	37.7 Å²	37.7	23%	0.227	21%	0.207	C	C	.	.			trans	-85.7	20.9	172.4	-53.8	-41.2	0	0	0	113.4	Y176 H345 K377 R507 C509	Y174-Y176 WeakPolarHBondContact O-CD2 3.44Å; Y174-Y176 PolarHBondContact O-N 3.22Å; Y174-H345 AromaticContact CD1-CE1 3.79Å; Y174-H345 AromaticContact CD2-CE1 3.98Å; Y174-H345 AromaticContact CE1-CE1 3.6Å; Y174-H345 AromaticContact CE2-CE1 3.79Å; Y174-H345 AromaticContact CG-CE1 3.98Å; Y174-H345 AromaticContact CZ-CE1 3.59Å; Y174-K377 HydrophobicContact CD2-CD 3.76Å; Y174-K377 HydrophobicContact CD2-CG 4.1Å; Y174-K377 HydrophobicContact CG-CD 3.81Å; Y174-K377 HydrophobicContact CG-CG 4.18Å; Y174-K377 CarbonylContact O-C 3.59Å; Y174-K377 WeakPolarHBondContact O-CA 3.31Å; Y174-K377 VanDerWaalsContact O-CB 3.32Å; Y174-K377 WeakPolarHBondContact O-CB 3.37Å; Y174-R507 PolarHBondContact OH-NE 3.41Å; Y174-R507 PolarHBondContact OH-NH2 2.95Å; Y174-C509 HydrophobicContact CD1-CB 4.19Å; Y174-C509 VanDerWaalsContact CD1-SG 3.56Å; Y174-C509 WeakPolarHBondContact CE1-SG 3.4Å
175	N	96.3	Very high	95.1	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	21%	0.207	C	C	.	.			trans	-74.5	62.4	174.8	-174.3	18.5	0	0	0	110.5	P140 S173 L177 G178 F179 A180 S511	P140-N175 PolarHBondContact O-ND2 3.34Å; S173-N175 PolarHBondContact O-N 3.29Å; S173-N175 WeakPolarHBondContact OG-CB 3.27Å; S173-N175 PolarHBondContact OG-N 3.07Å; N175-L177 PolarHBondContact O-N 2.82Å; N175-G178 PolarHBondContact O-N 3.4Å; N175-G178 VanDerWaalsContact O-N 3.1Å; N175-G178 VanDerWaalsContact OD1-C 3.23Å; N175-G178 WeakPolarHBondContact OD1-CA 3.34Å; N175-G178 PolarHBondContact OD1-N 2.63Å; N175-F179 PolarHBondContact OD1-N 2.9Å; N175-F179 VanDerWaalsContact OD1-N 3.13Å; N175-A180 PolarHBondContact ND2-O 2.89Å; N175-A180 PolarHBondContact OD1-N 2.85Å; N175-A180 VanDerWaalsContact OD1-N 3.14Å; N175-S511 WeakPolarHBondContact O-CB 3.42Å; N175-S511 PolarHBondContact O-OG 2.89Å
176	Y	97.7	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-45.3	-168.3	-67.9	-57.8	0	0	0	113.2	Y174 H345 A349 K377 S378 P465 V466 C509 L510 S511 A512	Y174-Y176 WeakPolarHBondContact O-CD2 3.44Å; Y174-Y176 PolarHBondContact O-N 3.22Å; Y176-H345 AromaticContact CE2-ND1 3.86Å; Y176-H345 AromaticContact CZ-ND1 3.77Å; Y176-H345 PolarHBondContact OH-ND1 3.19Å; Y176-A349 HydrophobicContact CD2-CB 4.24Å; Y176-A349 HydrophobicContact CG-CB 4.28Å; Y176-K377 HydrophobicContact CD2-CB 4.07Å; Y176-K377 HydrophobicContact CE2-CB 4.1Å; Y176-K377 HydrophobicContact CE2-CD 4.04Å; Y176-S378 WeakPolarHBondContact CD2-OG 3.39Å; Y176-P465 HydrophobicContact CD1-CB 3.78Å; Y176-P465 HydrophobicContact CD1-CG 3.72Å; Y176-P465 HydrophobicContact CE1-CB 3.74Å; Y176-P465 HydrophobicContact CE1-CG 3.52Å; Y176-P465 HydrophobicContact CG-CG 4.5Å; Y176-V466 WeakPolarHBondContact OH-CG2 3.37Å; Y176-C509 HydrophobicContact CE1-CB 4.45Å; Y176-L510 VanDerWaalsContact CD1-O 3.29Å; Y176-L510 WeakPolarHBondContact CD1-O 3.38Å; Y176-S511 CarbonylContact O-C 3.53Å; Y176-S511 VanDerWaalsContact O-CA 3.28Å; Y176-S511 WeakPolarHBondContact O-CA 3.12Å; Y176-A512 PolarHBondContact O-N 3.32Å
177	L	97.2	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	0.9	178.9	-63.1	179.1	0	0	0	113.3	N175 F179 G348 I424 C436 V437 L440	N175-L177 PolarHBondContact O-N 2.82Å; L177-F179 VanDerWaalsContact C-N 3.29Å; L177-F179 HydrophobicContact CB-CD2 3.57Å; L177-F179 HydrophobicContact CB-CE2 3.58Å; L177-F179 HydrophobicContact CD1-CD2 4.29Å; L177-F179 HydrophobicContact CD1-CE2 3.81Å; L177-F179 HydrophobicContact CG-CE2 4.36Å; L177-F179 PolarHBondContact O-N 2.96Å; L177-G348 WeakPolarHBondContact CD1-O 3.25Å; L177-G348 VanDerWaalsContact CD2-O 3.26Å; L177-G348 WeakPolarHBondContact CD2-O 3.47Å; L177-G348 WeakPolarHBondContact CG-O 3.29Å; L177-I424 HydrophobicContact CD1-CD1 3.49Å; L177-I424 VanDerWaalsContact CD1-CD1 3.49Å; L177-I424 HydrophobicContact CD1-CG1 3.73Å; L177-C436 HydrophobicContact CB-CB 4.44Å; L177-C436 HydrophobicContact CD2-CB 3.98Å; L177-V437 HydrophobicContact CD1-CG2 4.39Å; L177-V437 HydrophobicContact CD2-CG2 3.85Å; L177-L440 HydrophobicContact CD2-CD2 4.26Å
178	G	95.7	Very high	95	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.			trans	72.3	16.9	177.3	0	0	0	0	0	114.1	N175 A180 R181	N175-G178 PolarHBondContact O-N 3.4Å; N175-G178 VanDerWaalsContact O-N 3.1Å; N175-G178 VanDerWaalsContact OD1-C 3.23Å; N175-G178 WeakPolarHBondContact OD1-CA 3.34Å; N175-G178 PolarHBondContact OD1-N 2.63Å; G178-A180 VanDerWaalsContact C-N 3.29Å; G178-A180 PolarHBondContact O-N 3.17Å; G178-R181 WeakPolarHBondContact O-CG 3.35Å; G178-R181 PolarHBondContact O-NE 3.26Å; G178-R181 PolarHBondContact O-NH2 3Å
179	F	95.8	Very high	94.9	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.044	21%	0.209	C	C	.	.			trans	-73.4	-15.7	-179.4	-72.3	-63.1	0	0	0	114.2	N175 L177 R181 S378 Q416 C423 I424	N175-F179 PolarHBondContact OD1-N 2.9Å; N175-F179 VanDerWaalsContact OD1-N 3.13Å; L177-F179 VanDerWaalsContact C-N 3.29Å; L177-F179 HydrophobicContact CB-CD2 3.57Å; L177-F179 HydrophobicContact CB-CE2 3.58Å; L177-F179 HydrophobicContact CD1-CD2 4.29Å; L177-F179 HydrophobicContact CD1-CE2 3.81Å; L177-F179 HydrophobicContact CG-CE2 4.36Å; L177-F179 PolarHBondContact O-N 2.96Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.46Å; F179-S378 WeakPolarHBondContact CD2-O 3.33Å; F179-Q416 PolarHBondContact O-NE2 3.19Å; F179-C423 HydrophobicContact CE1-CB 4.16Å; F179-C423 HydrophobicContact CZ-CB 4.09Å; F179-I424 HydrophobicContact CE2-CD1 3.92Å; F179-I424 HydrophobicContact CE2-CG1 3.69Å; F179-I424 HydrophobicContact CZ-CG1 4.14Å
180	A	92.6	Very high	94.9	Very high	18 Å²	18	37.8 Å²	37.8	15%	0.149	22%	0.215	C	C	.	.			trans	-76.4	80	173	0	0	0	0	0	111.3	P140 N175 G178	P140-A180 HydrophobicContact CG-CB 3.94Å; N175-A180 PolarHBondContact ND2-O 2.89Å; N175-A180 PolarHBondContact OD1-N 2.85Å; N175-A180 VanDerWaalsContact OD1-N 3.14Å; G178-A180 VanDerWaalsContact C-N 3.29Å; G178-A180 PolarHBondContact O-N 3.17Å
181	R	90.9	Very high	94.9	Very high	109 Å²	109	38.6 Å²	38.6	41%	0.411	22%	0.224	S	C	.	.			trans	-135	159.1	179.2	-71.2	-176	-93.1	179.6	-8.8	110.3	G178 F179	G178-R181 WeakPolarHBondContact O-CG 3.35Å; G178-R181 PolarHBondContact O-NE 3.26Å; G178-R181 PolarHBondContact O-NH2 3Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.46Å
182	N	89.9	Confident	94.9	Very high	100 Å²	100	45.4 Å²	45.4	54%	0.535	25%	0.253	S	S	.	.	S	Bend	trans	-97.8	22.7	176.9	62.2	-23.6	0	0	0	113.3	V139 Q187	V139-N182 HydrophobicContact CG1-CB 3.55Å; N182-Q187 PolarHBondContact O-OE1 3.29Å
183	T	91.8	Very high	95.1	Very high	92 Å²	92	44.9 Å²	44.9	56%	0.564	25%	0.246	S	C	*	.	S	Bend	trans	-145.4	152.4	-178.6	57	0	0	0	0	109.5
184	G	92.2	Very high	95.3	Very high	34 Å²	34	46.8 Å²	46.8	35%	0.351	25%	0.253	S	S	.	.	S	Bend	trans	91.9	-177.9	174.5	0	0	0	0	0	113.3	C186 Q187 E188	G184-C186 VanDerWaalsContact C-N 3.3Å; G184-C186 PolarHBondContact O-N 3.48Å; G184-C186 VanDerWaalsContact O-N 3.13Å; G184-Q187 PolarHBondContact O-N 2.93Å; G184-E188 PolarHBondContact O-N 3.3Å
185	S	93.8	Very high	95.4	Very high	54 Å²	54	52.2 Å²	52.2	38%	0.378	28%	0.281	S	S	.	.	H	α-helix	trans	-52.9	-41.7	-166.4	57.6	0	0	0	0	114.3	Q187 E188 A189	S185-Q187 PolarHBondContact O-N 2.92Å; S185-E188 PolarHBondContact O-N 3.16Å; S185-A189 VanDerWaalsContact O-CB 3.22Å; S185-A189 WeakPolarHBondContact O-CB 3.42Å; S185-A189 PolarHBondContact O-N 3.19Å
186	C	95.3	Very high	95.5	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-43.7	-180	-62.6	0	0	0	0	112.1	G184 A190 Q416 T419	G184-C186 VanDerWaalsContact C-N 3.3Å; G184-C186 PolarHBondContact O-N 3.48Å; G184-C186 VanDerWaalsContact O-N 3.13Å; C186-A190 VanDerWaalsContact O-CB 3.32Å; C186-A190 WeakPolarHBondContact O-CB 3.46Å; C186-A190 PolarHBondContact O-N 3.21Å; C186-Q416 VanDerWaalsContact CB-OE1 3.31Å; C186-T419 HydrophobicContact CB-CG2 4.33Å
187	Q	95.4	Very high	95.4	Very high	70 Å²	70	61 Å²	61	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-69.7	-43.1	179.1	176.5	-87	-57.4	0	0	111.5	N182 G184 S185 A190 A191	N182-Q187 PolarHBondContact O-OE1 3.29Å; G184-Q187 PolarHBondContact O-N 2.93Å; S185-Q187 PolarHBondContact O-N 2.92Å; Q187-A190 PolarHBondContact O-N 3.35Å; Q187-A191 WeakPolarHBondContact O-CB 3.48Å; Q187-A191 PolarHBondContact O-N 2.82Å
188	E	96.9	Very high	95.3	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-62.5	-45.2	178.9	-69.3	166.7	-161.9	0	0	111.3	G184 S185 A191 K192	G184-E188 PolarHBondContact O-N 3.3Å; S185-E188 PolarHBondContact O-N 3.16Å; E188-A191 PolarHBondContact O-N 2.93Å; E188-K192 PolarHBondContact O-N 3Å
189	A	96.8	Very high	95.3	Very high	21 Å²	21	67.6 Å²	67.6	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-45.3	177.1	0	0	0	0	0	111.8	S185 A191 K192 I193 E415 T419	S185-A189 VanDerWaalsContact O-CB 3.22Å; S185-A189 WeakPolarHBondContact O-CB 3.42Å; S185-A189 PolarHBondContact O-N 3.19Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 2.91Å; A189-K192 PolarHBondContact O-N 3.05Å; A189-I193 PolarHBondContact O-N 3.01Å; A189-E415 HydrophobicContact CB-CG 3.76Å; A189-T419 HydrophobicContact CB-CG2 4.48Å; A189-T419 WeakPolarHBondContact CB-OG1 3.44Å
190	A	97.5	Very high	95.2	Very high	17 Å²	17	68.8 Å²	68.8	14%	0.14	38%	0.38	C	S	.	.	H	α-helix	trans	-61.9	-40.6	176.9	0	0	0	0	0	112.4	C186 Q187 I193 L194 P412	C186-A190 VanDerWaalsContact O-CB 3.32Å; C186-A190 WeakPolarHBondContact O-CB 3.46Å; C186-A190 PolarHBondContact O-N 3.21Å; Q187-A190 PolarHBondContact O-N 3.35Å; A190-I193 PolarHBondContact O-N 3.41Å; A190-L194 WeakPolarHBondContact O-CB 3.32Å; A190-L194 PolarHBondContact O-N 3.35Å; A190-P412 HydrophobicContact CB-CB 4.33Å; A190-P412 WeakPolarHBondContact CB-O 3.13Å; A190-P412 WeakPolarHBondContact O-CB 3.11Å
191	A	97.4	Very high	95	Very high	36 Å²	36	69.8 Å²	69.8	30%	0.298	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.9	0	0	0	0	0	112.1	Q187 E188 A189 L194 E195	Q187-A191 WeakPolarHBondContact O-CB 3.48Å; Q187-A191 PolarHBondContact O-N 2.82Å; E188-A191 PolarHBondContact O-N 2.93Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 2.91Å; A191-L194 WeakPolarHBondContact O-CB 3.3Å; A191-L194 PolarHBondContact O-N 2.94Å; A191-E195 PolarHBondContact O-N 3.3Å
192	K	97.9	Very high	95.1	Very high	143 Å²	143	70.4 Å²	70.4	62%	0.622	40%	0.404	S	S	*	.	H	α-helix	trans	-61.7	-46.6	175.8	-176.3	-177.2	174.7	-172.9	0	112.1	E188 A189 L194 E195 E196	E188-K192 PolarHBondContact O-N 3Å; A189-K192 PolarHBondContact O-N 3.05Å; K192-L194 VanDerWaalsContact C-N 3.28Å; K192-L194 PolarHBondContact O-N 3.2Å; K192-E195 PolarHBondContact O-N 3.08Å; K192-E195 VanDerWaalsContact O-N 3.16Å; K192-E196 PolarHBondContact O-N 3.28Å
193	I	97.8	Very high	95.2	Very high	9 Å²	9	66.2 Å²	66.2	5%	0.046	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-31.6	178.8	-69.9	-58.1	0	0	0	112	A189 A190 E195 E196 Y197 P411 E415	A189-I193 PolarHBondContact O-N 3.01Å; A190-I193 PolarHBondContact O-N 3.41Å; I193-E195 VanDerWaalsContact C-N 3.32Å; I193-E195 PolarHBondContact O-N 3.46Å; I193-E196 PolarHBondContact O-N 3.19Å; I193-Y197 HydrophobicContact CD1-CD2 4.26Å; I193-Y197 HydrophobicContact CD1-CE2 4.18Å; I193-Y197 HydrophobicContact CG2-CD2 4.09Å; I193-Y197 PolarHBondContact O-N 3.47Å; I193-P411 HydrophobicContact CG2-CB 3.69Å; I193-E415 HydrophobicContact CB-CB 4.01Å; I193-E415 HydrophobicContact CB-CG 4.22Å; I193-E415 HydrophobicContact CG1-CB 3.72Å; I193-E415 HydrophobicContact CG1-CG 3.47Å; I193-E415 VanDerWaalsContact CG1-CG 3.47Å; I193-E415 HydrophobicContact CG2-CB 4.25Å
194	L	97.7	Very high	95.3	Very high	73 Å²	73	62.7 Å²	62.7	38%	0.382	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-41.9	171.8	174.1	65.3	0	0	0	111.9	A190 A191 K192 E196 G198 V199 P412	A190-L194 WeakPolarHBondContact O-CB 3.32Å; A190-L194 PolarHBondContact O-N 3.35Å; A191-L194 WeakPolarHBondContact O-CB 3.3Å; A191-L194 PolarHBondContact O-N 2.94Å; K192-L194 VanDerWaalsContact C-N 3.28Å; K192-L194 PolarHBondContact O-N 3.2Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-G198 WeakPolarHBondContact O-CA 3.49Å; L194-G198 PolarHBondContact O-N 3.13Å; L194-V199 HydrophobicContact CD1-CB 4.31Å; L194-V199 HydrophobicContact CD1-CG2 3.49Å; L194-V199 VanDerWaalsContact CD1-CG2 3.49Å; L194-P412 HydrophobicContact CB-CB 4.16Å; L194-P412 HydrophobicContact CB-CG 4.37Å; L194-P412 HydrophobicContact CD1-CG 4.27Å
195	E	97.7	Very high	95.2	Very high	173 Å²	173	62.9 Å²	62.9	81%	0.808	35%	0.351	S	S	*	.	H	α-helix	trans	-66.8	-33.8	177.8	-69.1	176.4	-178.1	0	0	112.4	A191 K192 I193	A191-E195 PolarHBondContact O-N 3.3Å; K192-E195 PolarHBondContact O-N 3.08Å; K192-E195 VanDerWaalsContact O-N 3.16Å; I193-E195 VanDerWaalsContact C-N 3.32Å; I193-E195 PolarHBondContact O-N 3.46Å
196	E	96.8	Very high	95	Very high	125 Å²	125	64.8 Å²	64.8	58%	0.584	35%	0.354	S	S	*	.	H	α-helix	trans	-84.4	-47.3	-176.2	-175.3	176.3	179.8	0	0	113.5	K192 I193 L194	K192-E196 PolarHBondContact O-N 3.28Å; I193-E196 PolarHBondContact O-N 3.19Å; L194-E196 VanDerWaalsContact C-N 3.32Å
197	Y	96.3	Very high	94.7	Very high	65 Å²	65	71.2 Å²	71.2	26%	0.255	38%	0.383	S	S	.	.	H	α-helix	trans	-105.1	-12.3	-173.6	-73.1	-102.7	0	0	0	113.7	I193 L211 D212 K213 P411	I193-Y197 HydrophobicContact CD1-CD2 4.26Å; I193-Y197 HydrophobicContact CD1-CE2 4.18Å; I193-Y197 HydrophobicContact CG2-CD2 4.09Å; I193-Y197 PolarHBondContact O-N 3.47Å; Y197-L211 HydrophobicContact CD1-CD1 3.7Å; Y197-L211 HydrophobicContact CD1-CD2 4.38Å; Y197-L211 HydrophobicContact CE1-CD1 4.18Å; Y197-L211 HydrophobicContact CE1-CD2 4.48Å; Y197-D212 WeakPolarHBondContact CE1-OD1 3.46Å; Y197-D212 PolarHBondContact OH-OD1 2.78Å; Y197-D212 PolarHBondContact OH-OD2 3.14Å; Y197-K213 HydrophobicContact CE1-CG 4.44Å; Y197-K213 HydrophobicContact CE2-CG 4.35Å; Y197-P411 HydrophobicContact CG-CB 4.24Å
198	G	96	Very high	94.5	Very high	29 Å²	29	74.6 Å²	74.6	30%	0.299	40%	0.402	S	S	.	.			trans	75.6	-170.5	-171.4	0	0	0	0	0	113.8	L194 P412	L194-G198 WeakPolarHBondContact O-CA 3.49Å; L194-G198 PolarHBondContact O-N 3.13Å; G198-P412 WeakPolarHBondContact O-CD 3.45Å
199	V	95.4	Very high	94.3	Very high	110 Å²	110	68.8 Å²	68.8	67%	0.667	38%	0.375	S	S	*	.	S	Bend	trans	-77	-29	-171.6	177.2	0	0	0	0	112.8	L194 S410	L194-V199 HydrophobicContact CD1-CB 4.31Å; L194-V199 HydrophobicContact CD1-CG2 3.49Å; L194-V199 VanDerWaalsContact CD1-CG2 3.49Å; V199-S410 VanDerWaalsContact O-CB 3.27Å; V199-S410 WeakPolarHBondContact O-CB 3.32Å; V199-S410 PolarHBondContact O-OG 3.29Å
200	G	92.4	Very high	94.2	Very high	35 Å²	35	70.6 Å²	70.6	36%	0.361	38%	0.382	S	S	.	.			trans	-173.4	159.3	-174.7	0	0	0	0	0	113.7
201	V	90.1	Very high	94.1	Very high	40 Å²	40	71.6 Å²	71.6	24%	0.242	38%	0.384	C	S	.	.			trans	-85.8	-21.7	-178.5	-159	0	0	0	0	112.4	S203 I208 L211	V201-S203 PolarHBondContact O-N 3.31Å; V201-I208 WeakPolarHBondContact CG1-O 3.38Å; V201-L211 HydrophobicContact CG2-CD1 3.54Å; V201-L211 HydrophobicContact CG2-CD2 4.39Å; V201-L211 HydrophobicContact CG2-CG 3.85Å
202	C	91.6	Very high	94	Very high	122 Å²	122	74 Å²	74	82%	0.824	39%	0.393	S	S	*	.			trans	57.3	26.8	179.4	-58.1	0	0	0	0	114.8
203	S	93.4	Very high	94	Very high	12 Å²	12	68.6 Å²	68.6	8%	0.084	37%	0.369	C	S	.	.	S	Bend	trans	-143.4	170	175.8	-178.5	0	0	0	0	110.3	V201 E207 I208 G209 S408	V201-S203 PolarHBondContact O-N 3.31Å; S203-E207 WeakPolarHBondContact OG-CB 3.29Å; S203-E207 PolarHBondContact OG-OE2 2.92Å; S203-I208 WeakPolarHBondContact OG-CG1 3.07Å; S203-I208 PolarHBondContact OG-N 3.33Å; S203-G209 PolarHBondContact OG-N 2.8Å; S203-S408 PolarHBondContact O-N 3.48Å; S203-S408 PolarHBondContact O-OG 3.38Å
204	T	92.9	Very high	94	Very high	17 Å²	17	68.2 Å²	68.2	10%	0.104	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-85.5	160.2	178.6	70.8	0	0	0	0	110.9	Q206 E207 G209 V404 A406	T204-Q206 PolarHBondContact O-N 2.97Å; T204-E207 PolarHBondContact O-N 3.46Å; T204-G209 WeakPolarHBondContact O-CA 3.29Å; T204-G209 PolarHBondContact O-N 3.13Å; T204-V404 WeakPolarHBondContact CB-O 3.14Å; T204-V404 WeakPolarHBondContact CG2-O 3.46Å; T204-A406 WeakPolarHBondContact CA-O 3.44Å; T204-A406 WeakPolarHBondContact CB-O 3.38Å; T204-A406 WeakPolarHBondContact CG2-O 3.13Å
205	R	89.9	Confident	93.9	Very high	38 Å²	38	69.2 Å²	69.2	14%	0.143	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.8	179.4	-68.6	-67.1	-62.8	-70.9	0.2	113.5	N210 E218 S408	R205-N210 PolarHBondContact NE-OD1 3.36Å; R205-N210 PolarHBondContact NH2-OD1 2.88Å; R205-E218 IonicContact CZ-OE1 3.76Å; R205-E218 IonicContact NH1-OE1 3.13Å; R205-E218 PolarHBondContact NH1-OE1 2.87Å; R205-E218 IonicContact NH2-OE1 2.87Å; R205-E218 PolarHBondContact NH2-OE1 3.41Å; R205-E218 IonicContact NH2-OE2 3.85Å; R205-S408 WeakPolarHBondContact CD-OG 3.41Å; R205-S408 WeakPolarHBondContact CG-OG 3.33Å
206	Q	89.3	Confident	94	Very high	95 Å²	95	63.4 Å²	63.4	44%	0.444	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.7	178.8	-76.5	-159.1	-4.5	0	0	114.8	T204 R397 V404	T204-Q206 PolarHBondContact O-N 2.97Å; Q206-R397 PolarHBondContact NE2-O 3.13Å; Q206-V404 VanDerWaalsContact NE2-CG2 3.32Å
207	E	90.1	Very high	94	Very high	143 Å²	143	57.5 Å²	57.5	67%	0.668	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-109.4	179.1	-66.6	177.8	151.8	0	0	109.9	S203 T204	S203-E207 WeakPolarHBondContact OG-CB 3.29Å; S203-E207 PolarHBondContact OG-OE2 2.92Å; T204-E207 PolarHBondContact O-N 3.46Å
208	I	91.5	Very high	94.2	Very high	142 Å²	142	54.7 Å²	54.7	73%	0.728	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	13.4	-179.3	60.4	173.3	0	0	0	111.7	V201 S203 N210	V201-I208 WeakPolarHBondContact CG1-O 3.38Å; S203-I208 WeakPolarHBondContact OG-CG1 3.07Å; S203-I208 PolarHBondContact OG-N 3.33Å; I208-N210 VanDerWaalsContact C-N 3.34Å
209	G	92.3	Very high	94.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.315	C	S	.	.			trans	-84.7	2.3	-177.1	0	0	0	0	0	115.2	S203 T204 S408	S203-G209 PolarHBondContact OG-N 2.8Å; T204-G209 WeakPolarHBondContact O-CA 3.29Å; T204-G209 PolarHBondContact O-N 3.13Å; G209-S408 WeakPolarHBondContact O-CB 3.12Å; G209-S408 PolarHBondContact O-OG 2.69Å
210	N	93.8	Very high	94.4	Very high	59 Å²	59	53.4 Å²	53.4	32%	0.316	28%	0.283	S	S	.	.			trans	-92.8	127.7	-178.4	-167.9	58.3	0	0	0	110.8	R205 I208 E215	R205-N210 PolarHBondContact NE-OD1 3.36Å; R205-N210 PolarHBondContact NH2-OD1 2.88Å; I208-N210 VanDerWaalsContact C-N 3.34Å; N210-E215 PolarHBondContact ND2-OE1 2.45Å
211	L	95.5	Very high	94.7	Very high	37 Å²	37	51.9 Å²	51.9	19%	0.194	27%	0.266	C	S	.	.			trans	-119.1	157.5	175.8	-58.2	173.5	0	0	0	108.7	Y197 V201 K213 H214 E215 P411	Y197-L211 HydrophobicContact CD1-CD1 3.7Å; Y197-L211 HydrophobicContact CD1-CD2 4.38Å; Y197-L211 HydrophobicContact CE1-CD1 4.18Å; Y197-L211 HydrophobicContact CE1-CD2 4.48Å; V201-L211 HydrophobicContact CG2-CD1 3.54Å; V201-L211 HydrophobicContact CG2-CD2 4.39Å; V201-L211 HydrophobicContact CG2-CG 3.85Å; L211-K213 PolarHBondContact O-N 2.74Å; L211-H214 WeakPolarHBondContact CB-ND1 3.4Å; L211-H214 PolarHBondContact N-ND1 2.77Å; L211-H214 VanDerWaalsContact N-ND1 3.13Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 2.85Å; L211-E215 PolarHBondContact O-N 3.43Å; L211-P411 HydrophobicContact CD1-CB 4.42Å; L211-P411 HydrophobicContact CD1-CG 3.66Å
212	D	96.3	Very high	95.1	Very high	88 Å²	88	50.4 Å²	50.4	47%	0.471	26%	0.258	S	S	.	.	H	α-helix	trans	-50.3	-38.3	170.1	61.7	-28.6	0	0	0	112.5	Y197 H214 E215 E216	Y197-D212 WeakPolarHBondContact CE1-OD1 3.46Å; Y197-D212 PolarHBondContact OH-OD1 2.78Å; Y197-D212 PolarHBondContact OH-OD2 3.14Å; D212-H214 VanDerWaalsContact C-N 3.29Å; D212-H214 PolarHBondContact O-N 2.92Å; D212-E215 WeakPolarHBondContact O-CB 3.28Å; D212-E215 PolarHBondContact O-N 3.2Å; D212-E215 VanDerWaalsContact O-N 3.1Å; D212-E216 PolarHBondContact O-N 2.91Å
213	K	96.9	Very high	95.5	Very high	28 Å²	28	50 Å²	50	12%	0.122	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-32.9	175	-71.2	-71.8	168.4	-176.6	0	114.4	Y197 L211 E216 L217 V414 E415 I418	Y197-K213 HydrophobicContact CE1-CG 4.44Å; Y197-K213 HydrophobicContact CE2-CG 4.35Å; L211-K213 PolarHBondContact O-N 2.74Å; K213-E216 IonicContact NZ-OE2 2.72Å; K213-E216 PolarHBondContact NZ-OE2 2.86Å; K213-L217 WeakPolarHBondContact O-CB 3.49Å; K213-L217 PolarHBondContact O-N 3.4Å; K213-V414 HydrophobicContact CB-CG1 4Å; K213-V414 VanDerWaalsContact O-CG1 3.23Å; K213-V414 WeakPolarHBondContact O-CG1 3.48Å; K213-E415 WeakPolarHBondContact CD-OE2 3.15Å; K213-E415 WeakPolarHBondContact CE-OE2 3.49Å; K213-E415 IonicContact NZ-OE1 3.88Å; K213-E415 IonicContact NZ-OE2 2.77Å; K213-E415 PolarHBondContact NZ-OE2 3.37Å; K213-I418 HydrophobicContact CD-CD1 4.39Å
214	H	97.3	Very high	95.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-35.8	175.4	-63.2	101.7	0	0	0	111.8	L211 D212 E218 L409	L211-H214 WeakPolarHBondContact CB-ND1 3.4Å; L211-H214 PolarHBondContact N-ND1 2.77Å; L211-H214 VanDerWaalsContact N-ND1 3.13Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 2.85Å; D212-H214 VanDerWaalsContact C-N 3.29Å; D212-H214 PolarHBondContact O-N 2.92Å; H214-E218 WeakPolarHBondContact O-CG 3.39Å; H214-E218 PolarHBondContact O-N 3.24Å; H214-L409 PolarHBondContact NE2-O 2.87Å
215	E	97.3	Very high	95.9	Very high	95 Å²	95	49 Å²	49	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-69.5	-45.3	176.4	-61	-177.3	176.9	0	0	110.5	N210 L211 D212 L217 E218 E219	N210-E215 PolarHBondContact ND2-OE1 2.45Å; L211-E215 PolarHBondContact O-N 3.43Å; D212-E215 WeakPolarHBondContact O-CB 3.28Å; D212-E215 PolarHBondContact O-N 3.2Å; D212-E215 VanDerWaalsContact O-N 3.1Å; E215-L217 VanDerWaalsContact C-N 3.27Å; E215-L217 PolarHBondContact O-N 3.33Å; E215-E218 PolarHBondContact O-N 2.63Å; E215-E218 VanDerWaalsContact O-N 3.17Å; E215-E219 WeakPolarHBondContact O-CG 3.48Å; E215-E219 PolarHBondContact O-N 3.03Å
216	E	98.3	Very high	96.3	Very high	51 Å²	51	49.2 Å²	49.2	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-54.1	-45.4	173.2	-174.9	-175.6	175.1	0	0	111.3	D212 K213 L220 I418 K422	D212-E216 PolarHBondContact O-N 2.91Å; K213-E216 IonicContact NZ-OE2 2.72Å; K213-E216 PolarHBondContact NZ-OE2 2.86Å; E216-L220 VanDerWaalsContact O-CB 3.28Å; E216-L220 WeakPolarHBondContact O-CB 3.29Å; E216-L220 PolarHBondContact O-N 3.44Å; E216-I418 HydrophobicContact CB-CD1 4.16Å; E216-I418 HydrophobicContact CG-CD1 3.98Å; E216-K422 IonicContact OE1-NZ 3.86Å; E216-K422 PolarHBondContact OE1-NZ 2.73Å
217	L	98.6	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-48.9	177	172.5	62.1	0	0	0	112.2	K213 E215 E219 L220 V221 A232 F375 L409 V414 I417 I418	K213-L217 WeakPolarHBondContact O-CB 3.49Å; K213-L217 PolarHBondContact O-N 3.4Å; E215-L217 VanDerWaalsContact C-N 3.27Å; E215-L217 PolarHBondContact O-N 3.33Å; L217-E219 VanDerWaalsContact C-N 3.34Å; L217-E219 PolarHBondContact O-N 3.01Å; L217-L220 PolarHBondContact O-N 3.25Å; L217-V221 HydrophobicContact CD1-CG2 3.81Å; L217-V221 HydrophobicContact CG-CG2 4.28Å; L217-V221 WeakPolarHBondContact O-CB 3.26Å; L217-V221 WeakPolarHBondContact O-CG2 3.48Å; L217-V221 PolarHBondContact O-N 3.44Å; L217-A232 HydrophobicContact CD2-CB 3.82Å; L217-A232 HydrophobicContact CG-CB 4.41Å; L217-F375 HydrophobicContact CD1-CZ 4.29Å; L217-F375 HydrophobicContact CD2-CE2 4.43Å; L217-L409 HydrophobicContact CD2-CD1 4.15Å; L217-V414 HydrophobicContact CB-CG1 3.87Å; L217-V414 HydrophobicContact CD2-CB 4.47Å; L217-V414 HydrophobicContact CD2-CG1 4.01Å; L217-V414 HydrophobicContact CD2-CG2 4.14Å; L217-V414 HydrophobicContact CG-CG1 4.49Å; L217-I417 HydrophobicContact CD1-CB 3.97Å; L217-I417 HydrophobicContact CD1-CG2 3.42Å; L217-I417 VanDerWaalsContact CD1-CG2 3.42Å; L217-I417 HydrophobicContact CD2-CD1 4.25Å; L217-I418 HydrophobicContact CB-CD1 4.19Å; L217-I418 HydrophobicContact CB-CG1 4.11Å; L217-I418 HydrophobicContact CD1-CG1 4.19Å
218	E	98.5	Very high	97.1	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-41.4	-178.4	-78	179.4	-175.6	0	0	112.1	R205 H214 E215 V221 A222 A230 A232 R397	R205-E218 IonicContact CZ-OE1 3.76Å; R205-E218 IonicContact NH1-OE1 3.13Å; R205-E218 PolarHBondContact NH1-OE1 2.87Å; R205-E218 IonicContact NH2-OE1 2.87Å; R205-E218 PolarHBondContact NH2-OE1 3.41Å; R205-E218 IonicContact NH2-OE2 3.85Å; H214-E218 WeakPolarHBondContact O-CG 3.39Å; H214-E218 PolarHBondContact O-N 3.24Å; E215-E218 PolarHBondContact O-N 2.63Å; E215-E218 VanDerWaalsContact O-N 3.17Å; E218-V221 PolarHBondContact O-N 3.03Å; E218-A222 WeakPolarHBondContact O-CB 3.37Å; E218-A222 PolarHBondContact O-N 3.31Å; E218-A230 WeakPolarHBondContact CB-O 3.33Å; E218-A230 WeakPolarHBondContact CG-O 3.19Å; E218-A232 HydrophobicContact CG-CB 4.25Å; E218-A232 PolarHBondContact OE1-N 3.4Å; E218-R397 IonicContact OE2-CZ 2.89Å; E218-R397 IonicContact OE2-NE 3.09Å; E218-R397 IonicContact OE2-NH2 2.9Å; E218-R397 PolarHBondContact OE2-NH2 3.14Å
219	E	98.7	Very high	97.4	Very high	112 Å²	112	38.4 Å²	38.4	52%	0.523	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-41.9	174.1	-69.7	-179.1	-179.1	0	0	112.2	E215 L217 A222 R223	E215-E219 WeakPolarHBondContact O-CG 3.48Å; E215-E219 PolarHBondContact O-N 3.03Å; L217-E219 VanDerWaalsContact C-N 3.34Å; L217-E219 PolarHBondContact O-N 3.01Å; E219-A222 PolarHBondContact O-N 3.42Å; E219-R223 WeakPolarHBondContact O-CG 3.39Å; E219-R223 PolarHBondContact O-N 3.39Å; E219-R223 IonicContact OE2-NH1 2.74Å
220	L	98.7	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-42.6	178	-174.4	67.7	0	0	0	111.3	E216 L217 R223 F224 I418 M421 K422 M425	E216-L220 VanDerWaalsContact O-CB 3.28Å; E216-L220 WeakPolarHBondContact O-CB 3.29Å; E216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 3.25Å; L220-R223 PolarHBondContact O-N 3.41Å; L220-F224 WeakPolarHBondContact O-CB 3.34Å; L220-F224 PolarHBondContact O-N 2.84Å; L220-I418 HydrophobicContact CD2-CB 4.25Å; L220-I418 HydrophobicContact CD2-CG1 4.31Å; L220-I418 HydrophobicContact CD2-CG2 4.1Å; L220-M421 HydrophobicContact CB-SD 4.44Å; L220-M421 HydrophobicContact CD2-CB 3.9Å; L220-M421 HydrophobicContact CD2-CG 4.02Å; L220-M421 HydrophobicContact CD2-SD 3.98Å; L220-M421 HydrophobicContact CG-CG 4.08Å; L220-M421 HydrophobicContact CG-SD 3.71Å; L220-K422 HydrophobicContact CD1-CG 4.24Å; L220-K422 HydrophobicContact CD2-CG 4.03Å; L220-M425 HydrophobicContact CD1-SD 3.74Å; L220-M425 HydrophobicContact CG-SD 4.45Å
221	V	98.7	Very high	97.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-45.4	175.3	173.6	0	0	0	0	110.4	L217 E218 R223 F224 L225 A230 F375 Y385 M421	L217-V221 HydrophobicContact CD1-CG2 3.81Å; L217-V221 HydrophobicContact CG-CG2 4.28Å; L217-V221 WeakPolarHBondContact O-CB 3.26Å; L217-V221 WeakPolarHBondContact O-CG2 3.48Å; L217-V221 PolarHBondContact O-N 3.44Å; E218-V221 PolarHBondContact O-N 3.03Å; V221-R223 PolarHBondContact O-N 3.12Å; V221-F224 PolarHBondContact O-N 3.33Å; V221-F224 VanDerWaalsContact O-N 3.16Å; V221-L225 HydrophobicContact CG1-CD1 3.77Å; V221-L225 HydrophobicContact CG1-CG 4.28Å; V221-L225 VanDerWaalsContact O-CG 3.29Å; V221-L225 WeakPolarHBondContact O-CG 3.49Å; V221-L225 PolarHBondContact O-N 2.9Å; V221-A230 HydrophobicContact CB-CB 3.91Å; V221-A230 HydrophobicContact CG1-CB 3.53Å; V221-F375 HydrophobicContact CG2-CE1 4.02Å; V221-F375 HydrophobicContact CG2-CZ 3.76Å; V221-Y385 HydrophobicContact CG1-CD1 4.33Å; V221-Y385 HydrophobicContact CG1-CD2 3.8Å; V221-Y385 HydrophobicContact CG1-CE2 4.34Å; V221-Y385 HydrophobicContact CG1-CG 3.8Å; V221-M421 HydrophobicContact CG2-CE 3.91Å; V221-M421 HydrophobicContact CG2-SD 4.15Å
222	A	98.6	Very high	97.9	Very high	9 Å²	9	34.6 Å²	34.6	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-46.3	177.3	0	0	0	0	0	111.7	E218 E219 F224 L225 G226 V227 A230	E218-A222 WeakPolarHBondContact O-CB 3.37Å; E218-A222 PolarHBondContact O-N 3.31Å; E219-A222 PolarHBondContact O-N 3.42Å; A222-F224 VanDerWaalsContact C-N 3.35Å; A222-F224 PolarHBondContact O-N 3.02Å; A222-L225 PolarHBondContact O-N 2.86Å; A222-G226 PolarHBondContact O-N 3.06Å; A222-V227 HydrophobicContact CB-CG2 4.4Å; A222-V227 PolarHBondContact O-N 2.81Å; A222-A230 HydrophobicContact CB-CB 4.19Å
223	R	98.3	Very high	97.9	Very high	114 Å²	114	30.8 Å²	30.8	43%	0.43	16%	0.157	S	C	.	.	H	α-helix	trans	-63.4	-37.5	174.4	-70.8	-171.5	-60.4	-97.8	0.7	113	E219 L220 V221 G226 M425	E219-R223 WeakPolarHBondContact O-CG 3.39Å; E219-R223 PolarHBondContact O-N 3.39Å; E219-R223 IonicContact OE2-NH1 2.74Å; L220-R223 PolarHBondContact O-N 3.41Å; V221-R223 PolarHBondContact O-N 3.12Å; R223-G226 PolarHBondContact O-N 2.94Å; R223-M425 HydrophobicContact CB-CE 4.33Å
224	F	98.3	Very high	97.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-42.8	178.9	-175.3	-106.4	0	0	0	111.6	L220 V221 A222 I347 G354 R355 F379 M421 I424 M425	L220-F224 WeakPolarHBondContact O-CB 3.34Å; L220-F224 PolarHBondContact O-N 2.84Å; V221-F224 PolarHBondContact O-N 3.33Å; V221-F224 VanDerWaalsContact O-N 3.16Å; A222-F224 VanDerWaalsContact C-N 3.35Å; A222-F224 PolarHBondContact O-N 3.02Å; F224-I347 HydrophobicContact CD1-CD1 4.15Å; F224-I347 HydrophobicContact CE1-CD1 3.56Å; F224-I347 HydrophobicContact CE1-CG1 3.88Å; F224-G354 WeakPolarHBondContact CZ-O 3.21Å; F224-R355 HydrophobicContact CD1-CG 4.43Å; F224-R355 HydrophobicContact CD2-CG 4.36Å; F224-R355 HydrophobicContact CE1-CG 4.06Å; F224-R355 HydrophobicContact CE2-CG 3.98Å; F224-R355 HydrophobicContact CZ-CG 3.83Å; F224-R355 WeakPolarHBondContact O-CD 3.4Å; F224-R355 WeakPolarHBondContact O-CG 3.41Å; F224-R355 PolarHBondContact O-NE 3.28Å; F224-F379 HydrophobicContact CE1-CZ 4.09Å; F224-M421 HydrophobicContact CB-CE 4.46Å; F224-M421 HydrophobicContact CB-CG 4.1Å; F224-M421 HydrophobicContact CB-SD 3.58Å; F224-M421 VanDerWaalsContact CB-SD 3.58Å; F224-M421 HydrophobicContact CD1-CE 4.24Å; F224-M421 HydrophobicContact CD1-SD 4.36Å; F224-M421 HydrophobicContact CD2-CG 3.86Å; F224-M421 HydrophobicContact CD2-SD 4.41Å; F224-M421 HydrophobicContact CE2-CG 4.45Å; F224-M421 HydrophobicContact CG-CE 4.35Å; F224-M421 HydrophobicContact CG-CG 3.93Å; F224-M421 HydrophobicContact CG-SD 3.87Å; F224-I424 HydrophobicContact CE2-CB 4.34Å; F224-I424 HydrophobicContact CE2-CG2 3.73Å; F224-I424 HydrophobicContact CZ-CG2 4Å; F224-M425 HydrophobicContact CB-SD 4.18Å; F224-M425 HydrophobicContact CD2-CG 3.53Å; F224-M425 HydrophobicContact CD2-SD 3.81Å; F224-M425 HydrophobicContact CE2-CG 4Å; F224-M425 HydrophobicContact CG-SD 4.49Å
225	L	98.1	Very high	97.3	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-77.8	-22.3	179.1	-61.6	172.9	0	0	0	113	V221 A222 V227 I347 P365 M371 Y385	V221-L225 HydrophobicContact CG1-CD1 3.77Å; V221-L225 HydrophobicContact CG1-CG 4.28Å; V221-L225 VanDerWaalsContact O-CG 3.29Å; V221-L225 WeakPolarHBondContact O-CG 3.49Å; V221-L225 PolarHBondContact O-N 2.9Å; A222-L225 PolarHBondContact O-N 2.86Å; L225-V227 HydrophobicContact CB-CG1 4.08Å; L225-V227 HydrophobicContact CB-CG2 3.9Å; L225-V227 HydrophobicContact CD1-CG2 4.19Å; L225-I347 HydrophobicContact CD2-CD1 3.9Å; L225-P365 WeakPolarHBondContact O-CB 3.39Å; L225-P365 WeakPolarHBondContact O-CG 3.42Å; L225-M371 HydrophobicContact CB-SD 4.34Å; L225-M371 HydrophobicContact CD1-CB 4.44Å; L225-M371 HydrophobicContact CD2-CE 4.08Å; L225-Y385 HydrophobicContact CD1-CD2 3.84Å; L225-Y385 HydrophobicContact CD1-CE2 3.48Å; L225-Y385 VanDerWaalsContact CD1-CE2 3.48Å; L225-Y385 HydrophobicContact CD2-CE2 3.87Å; L225-Y385 HydrophobicContact CG-CE2 4.2Å
226	G	97.4	Very high	96.9	Very high	43 Å²	43	32.4 Å²	32.4	44%	0.443	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	35.2	-172.4	0	0	0	0	0	112.7	A222 R223	A222-G226 PolarHBondContact O-N 3.06Å; R223-G226 PolarHBondContact O-N 2.94Å
227	V	98.1	Very high	96.8	Very high	24 Å²	24	34 Å²	34	15%	0.145	19%	0.185	C	C	.	.	S	Bend	trans	-118.3	164.5	-179.8	-58.9	0	0	0	0	111.1	A222 L225 A229 P365 M371	A222-V227 HydrophobicContact CB-CG2 4.4Å; A222-V227 PolarHBondContact O-N 2.81Å; L225-V227 HydrophobicContact CB-CG1 4.08Å; L225-V227 HydrophobicContact CB-CG2 3.9Å; L225-V227 HydrophobicContact CD1-CG2 4.19Å; V227-A229 WeakPolarHBondContact CG2-O 3.41Å; V227-A229 PolarHBondContact O-N 2.87Å; V227-P365 HydrophobicContact CG1-CB 4.16Å; V227-M371 HydrophobicContact CG1-SD 3.74Å
228	E	98.4	Very high	96.6	Very high	116 Å²	116	34.9 Å²	34.9	54%	0.542	19%	0.193	S	C	.	.	S	Bend	trans	-64.7	-38.9	-176.4	-63.2	176.1	-164.2	0	0	113.6	G388 K390	E228-G388 PolarHBondContact N-O 2.96Å; E228-K390 HydrophobicContact CB-CB 4.17Å; E228-K390 WeakPolarHBondContact OE2-CB 3.47Å; E228-K390 PolarHBondContact OE2-N 3.41Å
229	A	98.5	Very high	96.4	Very high	14 Å²	14	34.5 Å²	34.5	12%	0.116	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.3	-179	0	0	0	0	0	111.8	V227 G387 G388 K390 I393	V227-A229 WeakPolarHBondContact CG2-O 3.41Å; V227-A229 PolarHBondContact O-N 2.87Å; A229-G387 WeakPolarHBondContact O-CA 3.39Å; A229-G388 PolarHBondContact N-O 3.23Å; A229-G388 VanDerWaalsContact N-O 3.13Å; A229-G388 PolarHBondContact O-N 3.17Å; A229-K390 HydrophobicContact CB-CB 4.3Å; A229-I393 HydrophobicContact CB-CB 3.85Å; A229-I393 HydrophobicContact CB-CG1 3.75Å; A229-I393 HydrophobicContact CB-CG2 4.07Å; A229-I393 WeakPolarHBondContact O-CG1 3.45Å
230	A	98.4	Very high	96.4	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	161.1	171.2	0	0	0	0	0	111.7	E218 V221 A222 I386	E218-A230 WeakPolarHBondContact CB-O 3.33Å; E218-A230 WeakPolarHBondContact CG-O 3.19Å; V221-A230 HydrophobicContact CB-CB 3.91Å; V221-A230 HydrophobicContact CG1-CB 3.53Å; A222-A230 HydrophobicContact CB-CB 4.19Å; A230-I386 CarbonylContact C-O 3.55Å; A230-I386 VanDerWaalsContact CA-O 3.25Å; A230-I386 WeakPolarHBondContact CA-O 3.33Å
231	M	96.4	Very high	96.2	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.034	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.5	174.4	-176.8	171.2	-165	0	0	110.2	Y233 Y385 I386 I393 R397 A403	M231-Y233 HydrophobicContact CB-CE2 4.32Å; M231-Y233 HydrophobicContact CE-CE1 4.38Å; M231-Y233 HydrophobicContact CG-CE1 4.28Å; M231-Y233 HydrophobicContact CG-CE2 4.24Å; M231-Y233 WeakPolarHBondContact O-CE2 3.34Å; M231-Y233 HydrophobicContact SD-CE1 4.02Å; M231-Y233 PolarHBondContact SD-OH 3.08Å; M231-Y385 CarbonylContact O-C 3.14Å; M231-Y385 WeakPolarHBondContact O-CA 3.28Å; M231-Y385 WeakPolarHBondContact O-CB 3.45Å; M231-I386 PolarHBondContact N-O 2.8Å; M231-I386 PolarHBondContact O-N 2.99Å; M231-I393 HydrophobicContact CB-CG2 4.05Å; M231-R397 HydrophobicContact CE-CG 3.99Å; M231-R397 HydrophobicContact SD-CB 4.39Å; M231-R397 HydrophobicContact SD-CG 3.65Å; M231-A403 HydrophobicContact CE-CB 3.34Å; M231-A403 HydrophobicContact SD-CB 4.27Å
232	A	96.8	Very high	96	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.3	178.4	0	0	0	0	0	112.2	L217 E218 F375 G384 L409	L217-A232 HydrophobicContact CD2-CB 3.82Å; L217-A232 HydrophobicContact CG-CB 4.41Å; E218-A232 HydrophobicContact CG-CB 4.25Å; E218-A232 PolarHBondContact OE1-N 3.4Å; A232-F375 HydrophobicContact CB-CE2 4.27Å; A232-G384 CarbonylContact C-O 3.38Å; A232-G384 WeakPolarHBondContact CA-O 3.48Å; A232-L409 HydrophobicContact CB-CD1 3.93Å
233	Y	95.2	Very high	95.9	Very high	8 Å²	8	32.1 Å²	32.1	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.5	-177.7	-58.9	-82.2	0	0	0	111.7	M231 M235 T239 N243 G383 G384 I386	M231-Y233 HydrophobicContact CB-CE2 4.32Å; M231-Y233 HydrophobicContact CE-CE1 4.38Å; M231-Y233 HydrophobicContact CG-CE1 4.28Å; M231-Y233 HydrophobicContact CG-CE2 4.24Å; M231-Y233 WeakPolarHBondContact O-CE2 3.34Å; M231-Y233 HydrophobicContact SD-CE1 4.02Å; M231-Y233 PolarHBondContact SD-OH 3.08Å; Y233-M235 VanDerWaalsContact C-N 3.26Å; Y233-M235 PolarHBondContact O-N 3.37Å; Y233-T239 WeakPolarHBondContact CB-OG1 3.26Å; Y233-T239 HydrophobicContact CD2-CG2 3.61Å; Y233-T239 HydrophobicContact CE2-CG2 4.06Å; Y233-T239 HydrophobicContact CG-CG2 4.36Å; Y233-N243 WeakPolarHBondContact CE1-ND2 3.2Å; Y233-N243 PolarHBondContact OH-OD1 2.86Å; Y233-N243 VanDerWaalsContact OH-OD1 3.13Å; Y233-G383 CarbonylContact O-C 3.5Å; Y233-G383 WeakPolarHBondContact O-CA 3.29Å; Y233-G384 PolarHBondContact N-O 3.33Å; Y233-G384 PolarHBondContact O-N 3.31Å; Y233-I386 HydrophobicContact CE2-CB 3.97Å; Y233-I386 HydrophobicContact CE2-CD1 3.92Å; Y233-I386 HydrophobicContact CE2-CG1 3.8Å
234	G	91.4	Very high	95.8	Very high	36 Å²	36	26.7 Å²	26.7	37%	0.371	16%	0.159	S	C	.	.	S	Bend	trans	-64	-18.7	-177.5	0	0	0	0	0	116.4
235	M	90.5	Very high	95.8	Very high	112 Å²	112	28.1 Å²	28.1	55%	0.552	17%	0.169	S	C	*	.			trans	-147.7	133.5	-175.6	179.9	-175.7	-72.6	0	0	112.3	Y233 F237 A238 T239	Y233-M235 VanDerWaalsContact C-N 3.26Å; Y233-M235 PolarHBondContact O-N 3.37Å; M235-F237 HydrophobicContact CG-CB 4.37Å; M235-F237 HydrophobicContact SD-CB 4.31Å; M235-A238 HydrophobicContact CB-CB 4.01Å; M235-A238 HydrophobicContact CG-CB 4.22Å; M235-A238 PolarHBondContact O-N 2.83Å; M235-A238 HydrophobicContact SD-CB 4.1Å; M235-T239 PolarHBondContact O-N 2.95Å; M235-T239 PolarHBondContact O-OG1 3.16Å
236	G	89.9	Confident	95.7	Very high	11 Å²	11	28.5 Å²	28.5	11%	0.113	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-48.8	178.8	0	0	0	0	0	113.7	A238 T239	G236-A238 PolarHBondContact O-N 3.49Å; G236-T239 VanDerWaalsContact O-CB 3.26Å; G236-T239 WeakPolarHBondContact O-CB 2.96Å; G236-T239 PolarHBondContact O-N 3.48Å
237	F	94.8	Very high	95.6	Very high	83 Å²	83	27.3 Å²	27.3	36%	0.364	16%	0.156	S	C	.	.	H	α-helix	trans	-59.1	-47	178.1	-176.4	-81	0	0	0	112.1	M235 T239 N240 S241 H261 A262 S263 L266	M235-F237 HydrophobicContact CG-CB 4.37Å; M235-F237 HydrophobicContact SD-CB 4.31Å; F237-T239 VanDerWaalsContact C-N 3.26Å; F237-T239 PolarHBondContact O-N 2.91Å; F237-N240 PolarHBondContact O-N 3.15Å; F237-S241 PolarHBondContact O-N 2.97Å; F237-H261 AromaticContact CD2-CE1 3.99Å; F237-A262 HydrophobicContact CE2-CB 4.34Å; F237-S263 WeakPolarHBondContact O-CB 3.34Å; F237-L266 HydrophobicContact CE1-CD2 3.66Å; F237-L266 HydrophobicContact CZ-CD2 3.86Å
238	A	94.1	Very high	95.6	Very high	19 Å²	19	26.6 Å²	26.6	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-26.8	-179.7	0	0	0	0	0	112.9	M235 G236 N240 S241 M242	M235-A238 HydrophobicContact CB-CB 4.01Å; M235-A238 HydrophobicContact CG-CB 4.22Å; M235-A238 PolarHBondContact O-N 2.83Å; M235-A238 HydrophobicContact SD-CB 4.1Å; G236-A238 PolarHBondContact O-N 3.49Å; A238-N240 PolarHBondContact O-N 3.21Å; A238-S241 PolarHBondContact O-N 3.16Å; A238-M242 HydrophobicContact CB-CG 4.07Å; A238-M242 VanDerWaalsContact O-CB 3.32Å; A238-M242 WeakPolarHBondContact O-CB 3.27Å; A238-M242 PolarHBondContact O-N 3.41Å
239	T	96.1	Very high	95.6	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.9	-40.9	175.6	-58	0	0	0	0	110.8	Y233 M235 G236 F237 N243 M372 I386	Y233-T239 WeakPolarHBondContact CB-OG1 3.26Å; Y233-T239 HydrophobicContact CD2-CG2 3.61Å; Y233-T239 HydrophobicContact CE2-CG2 4.06Å; Y233-T239 HydrophobicContact CG-CG2 4.36Å; M235-T239 PolarHBondContact O-N 2.95Å; M235-T239 PolarHBondContact O-OG1 3.16Å; G236-T239 VanDerWaalsContact O-CB 3.26Å; G236-T239 WeakPolarHBondContact O-CB 2.96Å; G236-T239 PolarHBondContact O-N 3.48Å; F237-T239 VanDerWaalsContact C-N 3.26Å; F237-T239 PolarHBondContact O-N 2.91Å; T239-N243 VanDerWaalsContact O-CB 3.28Å; T239-N243 WeakPolarHBondContact O-CB 3.49Å; T239-N243 PolarHBondContact O-ND2 2.73Å; T239-M372 HydrophobicContact CG2-CG 3.64Å; T239-M372 HydrophobicContact CG2-SD 3.88Å; T239-I386 HydrophobicContact CG2-CD1 4.23Å; T239-I386 HydrophobicContact CG2-CG1 3.84Å
240	N	97.4	Very high	95.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-74.9	-60.2	170.6	-86.1	-32.5	0	0	0	111.8	F237 A238 M242 N243 I244 S263 L264 Y340 D342 M372	F237-N240 PolarHBondContact O-N 3.15Å; A238-N240 PolarHBondContact O-N 3.21Å; N240-M242 PolarHBondContact O-N 2.7Å; N240-M242 VanDerWaalsContact O-N 3.15Å; N240-N243 PolarHBondContact O-N 2.62Å; N240-I244 WeakPolarHBondContact O-CG1 3.22Å; N240-I244 PolarHBondContact O-N 3.38Å; N240-S263 PolarHBondContact ND2-OG 3.41Å; N240-L264 HydrophobicContact CB-CD2 4.37Å; N240-L264 VanDerWaalsContact CG-CD2 3.5Å; N240-L264 WeakPolarHBondContact OD1-CD2 3.36Å; N240-Y340 WeakPolarHBondContact OD1-CE1 3.43Å; N240-Y340 PolarHBondContact OD1-OH 2.98Å; N240-Y340 VanDerWaalsContact OD1-OH 3.05Å; N240-D342 PolarHBondContact ND2-OD2 2.86Å; N240-M372 HydrophobicContact CB-CE 4.3Å; N240-M372 WeakPolarHBondContact ND2-CE 3.35Å; N240-M372 WeakPolarHBondContact OD1-CE 3.34Å
241	S	96.1	Very high	95.4	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-26.4	-162.6	67.8	0	0	0	0	114	F237 A238 P245 G267	F237-S241 PolarHBondContact O-N 2.97Å; A238-S241 PolarHBondContact O-N 3.16Å; S241-P245 WeakPolarHBondContact O-CD 3.44Å; S241-G267 WeakPolarHBondContact O-CA 3.07Å
242	M	93.8	Very high	95.5	Very high	66 Å²	66	30.6 Å²	30.6	33%	0.325	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-12.8	-176.3	-56.9	-57.2	-70.5	0	0	113.9	A238 N240 H401 S402	A238-M242 HydrophobicContact CB-CG 4.07Å; A238-M242 VanDerWaalsContact O-CB 3.32Å; A238-M242 WeakPolarHBondContact O-CB 3.27Å; A238-M242 PolarHBondContact O-N 3.41Å; N240-M242 PolarHBondContact O-N 2.7Å; N240-M242 VanDerWaalsContact O-N 3.15Å; M242-H401 HydrophobicContact CB-CB 4.43Å; M242-H401 HydrophobicContact CE-CB 3.61Å; M242-S402 WeakPolarHBondContact CB-OG 3.48Å
243	N	95.8	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-32.6	179.9	-68.9	-69.5	0	0	0	113.6	Y233 T239 N240 P245 A246 L247 I386 L396 S400	Y233-N243 WeakPolarHBondContact CE1-ND2 3.2Å; Y233-N243 PolarHBondContact OH-OD1 2.86Å; Y233-N243 VanDerWaalsContact OH-OD1 3.13Å; T239-N243 VanDerWaalsContact O-CB 3.28Å; T239-N243 WeakPolarHBondContact O-CB 3.49Å; T239-N243 PolarHBondContact O-ND2 2.73Å; N240-N243 PolarHBondContact O-N 2.62Å; N243-P245 VanDerWaalsContact C-CD 3.46Å; N243-P245 VanDerWaalsContact C-N 3.3Å; N243-A246 WeakPolarHBondContact O-CB 3.37Å; N243-A246 PolarHBondContact O-N 3.37Å; N243-L247 PolarHBondContact O-N 3.43Å; N243-I386 HydrophobicContact CB-CD1 3.54Å; N243-L396 HydrophobicContact CB-CD2 4.39Å; N243-S400 WeakPolarHBondContact OD1-CB 3.36Å; N243-S400 PolarHBondContact OD1-OG 3.47Å
244	I	97.6	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.1	-42.1	175	-65.8	167.8	0	0	0	112.1	N240 A246 L247 V248 I254 L264 L311 Y340	N240-I244 WeakPolarHBondContact O-CG1 3.22Å; N240-I244 PolarHBondContact O-N 3.38Å; I244-A246 PolarHBondContact O-N 2.86Å; I244-L247 PolarHBondContact O-N 2.98Å; I244-V248 HydrophobicContact CG2-CG2 3.93Å; I244-V248 WeakPolarHBondContact O-CG2 3.42Å; I244-V248 PolarHBondContact O-N 2.82Å; I244-I254 HydrophobicContact CG2-CD1 4.24Å; I244-L264 HydrophobicContact CD1-CD2 3.94Å; I244-L311 HydrophobicContact CD1-CD1 4.3Å; I244-Y340 HydrophobicContact CG1-CD2 4.48Å; I244-Y340 HydrophobicContact CG1-CE2 3.97Å
245	P	96.6	Very high	96.1	Very high	33 Å²	33	28.3 Å²	28.3	21%	0.214	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-20.6	175.7	-25.2	36.4	0	0	0	115.3	S241 N243 L270	S241-P245 WeakPolarHBondContact O-CD 3.44Å; N243-P245 VanDerWaalsContact C-CD 3.46Å; N243-P245 VanDerWaalsContact C-N 3.3Å; P245-L270 HydrophobicContact CG-CB 3.76Å
246	A	96	Very high	96.5	Very high	13 Å²	13	23.2 Å²	23.2	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-78.2	-28.1	173.5	0	0	0	0	0	111.7	N243 I244 Y395 L396 H399	N243-A246 WeakPolarHBondContact O-CB 3.37Å; N243-A246 PolarHBondContact O-N 3.37Å; I244-A246 PolarHBondContact O-N 2.86Å; A246-Y395 HydrophobicContact CB-CE1 4.48Å; A246-Y395 WeakPolarHBondContact O-CE1 3.31Å; A246-Y395 PolarHBondContact O-OH 2.78Å; A246-L396 HydrophobicContact CB-CD2 4.03Å; A246-H399 HydrophobicContact CB-CB 4.43Å
247	L	96.9	Very high	96.9	Very high	17 Å²	17	22.8 Å²	22.8	9%	0.089	12%	0.124	C	C	.	.	H	α-helix	trans	-85.3	-35.6	-173.7	-60	177.7	0	0	0	113.3	N243 I244 K307 Y340 V370 L392 L396	N243-L247 PolarHBondContact O-N 3.43Å; I244-L247 PolarHBondContact O-N 2.98Å; L247-K307 PolarHBondContact O-NZ 3.5Å; L247-Y340 HydrophobicContact CD1-CD2 3.93Å; L247-Y340 HydrophobicContact CD1-CE2 3.85Å; L247-V370 HydrophobicContact CD1-CG1 4.4Å; L247-V370 HydrophobicContact CD1-CG2 4.09Å; L247-L392 HydrophobicContact CD2-CD1 3.5Å; L247-L396 HydrophobicContact CD2-CD1 4.5Å; L247-L396 HydrophobicContact CD2-CD2 3.85Å; L247-L396 HydrophobicContact CD2-CG 4.28Å; L247-L396 HydrophobicContact CG-CD2 4.38Å
248	V	97.6	Very high	96.9	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.055	13%	0.127	C	C	.	.			trans	-139.8	155.2	-172.8	-70.2	0	0	0	0	111.1	I244 C252 I254 S271 A273 K307 L309	I244-V248 HydrophobicContact CG2-CG2 3.93Å; I244-V248 WeakPolarHBondContact O-CG2 3.42Å; I244-V248 PolarHBondContact O-N 2.82Å; V248-C252 HydrophobicContact CB-CB 3.93Å; V248-C252 HydrophobicContact CG1-CB 4.13Å; V248-I254 HydrophobicContact CG2-CD1 3.78Å; V248-I254 HydrophobicContact CG2-CG1 4.07Å; V248-S271 WeakPolarHBondContact O-CB 3.47Å; V248-A273 HydrophobicContact CG2-CB 4.48Å; V248-K307 HydrophobicContact CG1-CB 4.41Å; V248-K307 HydrophobicContact CG1-CD 4.4Å; V248-L309 HydrophobicContact CG1-CB 4.04Å; V248-L309 HydrophobicContact CG1-CD2 3.91Å; V248-L309 HydrophobicContact CG2-CD2 4.17Å
249	G	97	Very high	96.9	Very high	19 Å²	19	25 Å²	25	20%	0.196	13%	0.134	C	C	.	.			trans	-164.6	-150.5	175.8	0	0	0	0	0	113.1	G251 C252 S271 A273	G249-G251 PolarHBondContact O-N 3.35Å; G249-C252 VanDerWaalsContact O-CB 3.22Å; G249-C252 WeakPolarHBondContact O-CB 2.97Å; G249-C252 PolarHBondContact O-N 3.34Å; G249-C252 PolarHBondContact O-SG 3.5Å; G249-S271 VanDerWaalsContact CA-O 3.26Å; G249-S271 WeakPolarHBondContact CA-O 3.29Å; G249-A273 WeakPolarHBondContact O-CA 3.28Å
250	K	96.3	Very high	97	Very high	183 Å²	183	25.6 Å²	25.6	80%	0.796	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	127.4	-179.3	-68.5	-176.9	-177.6	175.6	0	111.9
251	G	96.9	Very high	96.9	Very high	15 Å²	15	29 Å²	29	16%	0.155	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	4.5	-176.3	0	0	0	0	0	115.1	G249 K306	G249-G251 PolarHBondContact O-N 3.35Å; G251-K306 PolarHBondContact O-N 2.99Å
252	C	98.4	Very high	96.9	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.054	18%	0.176	C	C	.	.			trans	-100.6	159.1	167.4	-53.2	0	0	0	0	110.9	V248 G249 A273 T274 W305 K307	V248-C252 HydrophobicContact CB-CB 3.93Å; V248-C252 HydrophobicContact CG1-CB 4.13Å; G249-C252 VanDerWaalsContact O-CB 3.22Å; G249-C252 WeakPolarHBondContact O-CB 2.97Å; G249-C252 PolarHBondContact O-N 3.34Å; G249-C252 PolarHBondContact O-SG 3.5Å; C252-A273 HydrophobicContact CB-CB 4.25Å; C252-T274 PolarHBondContact O-N 3.09Å; C252-W305 VanDerWaalsContact C-CE3 3.41Å; C252-W305 VanDerWaalsContact O-CZ3 3.28Å; C252-W305 WeakPolarHBondContact O-CZ3 3.47Å; C252-K307 WeakPolarHBondContact CA-O 3.49Å; C252-K307 HydrophobicContact CB-CB 4.36Å
253	L	98.6	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.9	174.1	176.4	62.3	0	0	0	109.8	L255 T274 R276 A293 W305 K307 I308 L309	L253-L255 HydrophobicContact CD1-CD2 4.15Å; L253-L255 HydrophobicContact CD2-CD2 3.89Å; L253-L255 HydrophobicContact CD2-CG 4.35Å; L253-L255 HydrophobicContact CG-CD2 3.95Å; L253-L255 HydrophobicContact CG-CG 4.33Å; L253-T274 CarbonylContact C-O 3.56Å; L253-T274 WeakPolarHBondContact CA-O 3.48Å; L253-T274 HydrophobicContact CD1-CG2 4.17Å; L253-R276 HydrophobicContact CD1-CB 4.34Å; L253-R276 HydrophobicContact CD1-CG 3.86Å; L253-A293 HydrophobicContact CD2-CB 3.33Å; L253-W305 HydrophobicContact CB-CD2 3.65Å; L253-W305 HydrophobicContact CB-CE3 3.58Å; L253-W305 HydrophobicContact CB-CG 4.23Å; L253-W305 HydrophobicContact CB-CH2 4.09Å; L253-W305 HydrophobicContact CB-CZ2 4.17Å; L253-W305 HydrophobicContact CB-CZ3 3.8Å; L253-W305 HydrophobicContact CD1-CH2 4.16Å; L253-W305 HydrophobicContact CD1-CZ2 4.24Å; L253-W305 HydrophobicContact CD2-CD2 4.43Å; L253-W305 HydrophobicContact CD2-CZ2 4.17Å; L253-W305 HydrophobicContact CG-CZ2 4.45Å; L253-K307 PolarHBondContact N-O 2.82Å; L253-I308 HydrophobicContact CB-CG1 4.28Å; L253-I308 HydrophobicContact CB-CG2 4.44Å; L253-I308 HydrophobicContact CD2-CG1 4.41Å; L253-I308 HydrophobicContact CD2-CG2 4.15Å; L253-I308 HydrophobicContact CG-CG2 4.36Å; L253-I308 CarbonylContact O-C 3.59Å; L253-I308 WeakPolarHBondContact O-CA 3.29Å; L253-L309 PolarHBondContact O-N 3.39Å
254	I	98.8	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.1	167.9	-64.1	176.1	0	0	0	108	I244 V248 A268 A273 T274 I275 R276 L309 L311	I244-I254 HydrophobicContact CG2-CD1 4.24Å; V248-I254 HydrophobicContact CG2-CD1 3.78Å; V248-I254 HydrophobicContact CG2-CG1 4.07Å; I254-A268 HydrophobicContact CD1-CB 3.69Å; I254-A268 HydrophobicContact CG2-CB 4.29Å; I254-A273 HydrophobicContact CD1-CB 3.88Å; I254-A273 HydrophobicContact CG1-CB 3.96Å; I254-T274 PolarHBondContact N-O 3.36Å; I254-I275 HydrophobicContact CB-CG1 4.4Å; I254-I275 WeakPolarHBondContact O-CA 3.27Å; I254-R276 PolarHBondContact O-N 3.17Å; I254-L309 CarbonylContact C-O 3.58Å; I254-L309 WeakPolarHBondContact CA-O 3.33Å; I254-L311 HydrophobicContact CG2-CD1 3.49Å; I254-L311 VanDerWaalsContact CG2-CD1 3.49Å; I254-L311 HydrophobicContact CG2-CG 3.75Å
255	L	98.8	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	103.7	167.9	-60.3	-175	0	0	0	107.7	L253 R276 F278 L286 L289 L290 I308 L309 I310 L311	L253-L255 HydrophobicContact CD1-CD2 4.15Å; L253-L255 HydrophobicContact CD2-CD2 3.89Å; L253-L255 HydrophobicContact CD2-CG 4.35Å; L253-L255 HydrophobicContact CG-CD2 3.95Å; L253-L255 HydrophobicContact CG-CG 4.33Å; L255-R276 WeakPolarHBondContact CA-O 3.23Å; L255-R276 HydrophobicContact CD2-CB 3.89Å; L255-F278 HydrophobicContact CB-CD1 4.25Å; L255-F278 HydrophobicContact CB-CE1 4.47Å; L255-L286 HydrophobicContact CB-CD1 4.2Å; L255-L286 HydrophobicContact CD1-CD1 3.8Å; L255-L289 HydrophobicContact CD1-CB 4.31Å; L255-L289 HydrophobicContact CD2-CB 3.95Å; L255-L289 HydrophobicContact CD2-CD1 4.11Å; L255-L290 HydrophobicContact CD1-CD2 3.48Å; L255-L290 VanDerWaalsContact CD1-CD2 3.48Å; L255-L290 HydrophobicContact CD1-CG 3.61Å; L255-I308 HydrophobicContact CD1-CG2 4.12Å; L255-I308 HydrophobicContact CG-CG2 4.23Å; L255-L309 PolarHBondContact N-O 2.95Å; L255-I310 WeakPolarHBondContact O-CA 3.49Å; L255-L311 PolarHBondContact O-N 3Å
256	S	98.6	Very high	97.2	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.8	-178	-177.1	0	0	0	0	110.2	N260 R276 I277 F278	S256-N260 PolarHBondContact OG-ND2 3.23Å; S256-R276 PolarHBondContact N-O 3.48Å; S256-I277 VanDerWaalsContact O-CA 3.28Å; S256-I277 WeakPolarHBondContact O-CA 3.29Å; S256-F278 VanDerWaalsContact O-CD1 3.28Å; S256-F278 WeakPolarHBondContact O-CD1 3.48Å; S256-F278 PolarHBondContact O-N 3.38Å
257	D	98.4	Very high	97.2	Very high	2 Å²	2	32 Å²	32	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	146.7	163.6	-167.7	-78.5	0	0	0	109.5	L259 N260 F278 H280 N281 L311 Y316	D257-L259 PolarHBondContact O-N 2.96Å; D257-L259 PolarHBondContact OD1-N 3.37Å; D257-N260 PolarHBondContact N-ND2 2.97Å; D257-N260 VanDerWaalsContact N-ND2 3.17Å; D257-N260 PolarHBondContact O-N 2.96Å; D257-F278 HydrophobicContact CB-CE1 4.19Å; D257-F278 HydrophobicContact CB-CE2 3.96Å; D257-F278 HydrophobicContact CB-CZ 3.61Å; D257-F278 VanDerWaalsContact OD2-CE2 3.27Å; D257-F278 WeakPolarHBondContact OD2-CE2 3.42Å; D257-H280 IonicContact OD1-CE1 2.91Å; D257-H280 IonicContact OD1-CG 3.45Å; D257-H280 IonicContact OD1-ND1 2.65Å; D257-H280 PolarHBondContact OD1-ND1 2.82Å; D257-H280 WeakPolarHBondContact OD2-CA 3.3Å; D257-H280 IonicContact OD2-ND1 2.87Å; D257-N281 PolarHBondContact OD2-N 2.66Å; D257-L311 PolarHBondContact N-O 3.04Å; D257-Y316 HydrophobicContact CB-CE1 4.08Å; D257-Y316 PolarHBondContact OD2-OH 3.49Å
258	E	95.8	Very high	97.3	Very high	89 Å²	89	31.2 Å²	31.2	42%	0.416	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.5	-178.6	-177.2	168	-141.5	0	0	113.1	I277 F278 K279 H280	E258-I277 HydrophobicContact CB-CG2 3.84Å; E258-I277 HydrophobicContact CG-CG2 4.33Å; E258-F278 WeakPolarHBondContact CB-O 3.25Å; E258-F278 PolarHBondContact N-O 3.29Å; E258-F278 VanDerWaalsContact N-O 3.12Å; E258-K279 IonicContact OE1-NZ 3.53Å; E258-K279 PolarHBondContact OE1-NZ 2.89Å; E258-K279 WeakPolarHBondContact OE2-CD 3.45Å; E258-K279 IonicContact OE2-NZ 3.53Å; E258-K279 PolarHBondContact OE2-NZ 3.23Å; E258-H280 HydrophobicContact CB-CB 4.42Å
259	L	94.5	Very high	97.3	Very high	60 Å²	60	39.4 Å²	39.4	31%	0.314	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	13.1	-175.3	-56.2	-175.9	0	0	0	113.5	D257 H261 H280 Y316 E319	D257-L259 PolarHBondContact O-N 2.96Å; D257-L259 PolarHBondContact OD1-N 3.37Å; L259-H261 PolarHBondContact O-N 2.86Å; L259-H280 HydrophobicContact CD1-CB 3.94Å; L259-H280 VanDerWaalsContact CD1-CG 3.45Å; L259-H280 HydrophobicContact CG-CB 3.99Å; L259-Y316 HydrophobicContact CB-CD1 4.17Å; L259-E319 VanDerWaalsContact CD1-CD 3.45Å; L259-E319 HydrophobicContact CD1-CG 3.58Å
260	N	96.7	Very high	97.3	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	22%	0.218	C	C	.	.			trans	-55.9	139.9	176.3	-87.7	-16.9	0	0	0	112.3	S256 D257 L264 V265 L311 E313	S256-N260 PolarHBondContact OG-ND2 3.23Å; D257-N260 PolarHBondContact N-ND2 2.97Å; D257-N260 VanDerWaalsContact N-ND2 3.17Å; D257-N260 PolarHBondContact O-N 2.96Å; N260-L264 HydrophobicContact CB-CB 4.22Å; N260-L264 HydrophobicContact CB-CD1 3.92Å; N260-V265 WeakPolarHBondContact O-CG2 3.41Å; N260-L311 WeakPolarHBondContact ND2-CB 3.39Å; N260-L311 PolarHBondContact ND2-O 3.49Å; N260-E313 WeakPolarHBondContact CA-OE1 3.35Å
261	H	96.1	Very high	97.3	Very high	74 Å²	74	35.2 Å²	35.2	34%	0.343	18%	0.184	S	C	.	.			trans	-58.5	148.8	-176.2	-175.2	-101.4	0	0	0	111.6	F237 L259 S263 L264 V265 E313	F237-H261 AromaticContact CD2-CE1 3.99Å; L259-H261 PolarHBondContact O-N 2.86Å; H261-S263 PolarHBondContact ND1-N 3.43Å; H261-S263 PolarHBondContact ND1-OG 3.05Å; H261-S263 PolarHBondContact O-N 3.13Å; H261-L264 WeakPolarHBondContact O-CB 3.25Å; H261-L264 PolarHBondContact O-N 3.34Å; H261-V265 PolarHBondContact O-N 2.58Å; H261-V265 VanDerWaalsContact O-N 3.12Å; H261-E313 WeakPolarHBondContact CA-OE1 3.47Å; H261-E313 VanDerWaalsContact CB-OE1 3.31Å; H261-E313 WeakPolarHBondContact CB-OE1 3.48Å; H261-E313 PolarHBondContact N-OE1 3.29Å
262	A	95.4	Very high	97.3	Very high	62 Å²	62	36.6 Å²	36.6	51%	0.512	20%	0.199	S	C	.	.	H	α-helix	trans	-53.4	-29.2	-176.6	0	0	0	0	0	113.6	F237 L266	F237-A262 HydrophobicContact CE2-CB 4.34Å; A262-L266 VanDerWaalsContact O-CB 3.28Å; A262-L266 WeakPolarHBondContact O-CB 3.37Å; A262-L266 PolarHBondContact O-N 3Å
263	S	97	Very high	97.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-40.2	175.6	60.9	0	0	0	0	113.6	F237 N240 H261 G267	F237-S263 WeakPolarHBondContact O-CB 3.34Å; N240-S263 PolarHBondContact ND2-OG 3.41Å; H261-S263 PolarHBondContact ND1-N 3.43Å; H261-S263 PolarHBondContact ND1-OG 3.05Å; H261-S263 PolarHBondContact O-N 3.13Å; S263-G267 PolarHBondContact O-N 3.27Å
264	L	97.9	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-45.9	174.7	-70.5	167.2	0	0	0	109.5	N240 I244 N260 H261 L266 G267 A268 E313 Y340 D342	N240-L264 HydrophobicContact CB-CD2 4.37Å; N240-L264 VanDerWaalsContact CG-CD2 3.5Å; N240-L264 WeakPolarHBondContact OD1-CD2 3.36Å; I244-L264 HydrophobicContact CD1-CD2 3.94Å; N260-L264 HydrophobicContact CB-CB 4.22Å; N260-L264 HydrophobicContact CB-CD1 3.92Å; H261-L264 WeakPolarHBondContact O-CB 3.25Å; H261-L264 PolarHBondContact O-N 3.34Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L266 PolarHBondContact O-N 2.83Å; L264-G267 PolarHBondContact O-N 3.06Å; L264-A268 WeakPolarHBondContact O-CB 3.37Å; L264-A268 PolarHBondContact O-N 3.28Å; L264-E313 HydrophobicContact CD1-CG 3.89Å; L264-Y340 HydrophobicContact CD2-CD1 4.08Å; L264-Y340 HydrophobicContact CD2-CE1 3.88Å; L264-D342 HydrophobicContact CD1-CB 4.15Å; L264-D342 HydrophobicContact CD2-CB 4.5Å
265	V	97.4	Very high	97.2	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-44.7	177.2	176.5	0	0	0	0	111.2	N260 H261 R269	N260-V265 WeakPolarHBondContact O-CG2 3.41Å; H261-V265 PolarHBondContact O-N 2.58Å; H261-V265 VanDerWaalsContact O-N 3.12Å; V265-R269 VanDerWaalsContact O-CG 3.29Å; V265-R269 WeakPolarHBondContact O-CG 3.24Å; V265-R269 PolarHBondContact O-N 3.35Å
266	L	97.6	Very high	97.2	Very high	68 Å²	68	45.3 Å²	45.3	36%	0.356	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-47.7	177.2	-178.9	62.4	0	0	0	111.4	F237 A262 L264 A268 R269 L270	F237-L266 HydrophobicContact CE1-CD2 3.66Å; F237-L266 HydrophobicContact CZ-CD2 3.86Å; A262-L266 VanDerWaalsContact O-CB 3.28Å; A262-L266 WeakPolarHBondContact O-CB 3.37Å; A262-L266 PolarHBondContact O-N 3Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L266 PolarHBondContact O-N 2.83Å; L266-A268 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 2.98Å; L266-R269 PolarHBondContact O-N 3.13Å; L266-L270 HydrophobicContact CD1-CD1 4.12Å; L266-L270 HydrophobicContact CD1-CG 4.09Å; L266-L270 HydrophobicContact CD2-CD1 4.48Å; L266-L270 HydrophobicContact CG-CD1 3.9Å; L266-L270 HydrophobicContact CG-CG 4.29Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 WeakPolarHBondContact O-CG 3.24Å; L266-L270 PolarHBondContact O-N 2.96Å
267	G	97.6	Very high	97.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-41.5	177.8	0	0	0	0	0	112.8	S241 S263 L264 R269 L270 S271	S241-G267 WeakPolarHBondContact O-CA 3.07Å; S263-G267 PolarHBondContact O-N 3.27Å; L264-G267 PolarHBondContact O-N 3.06Å; G267-R269 PolarHBondContact O-N 2.99Å; G267-L270 PolarHBondContact O-N 2.81Å; G267-S271 PolarHBondContact O-N 2.96Å
268	A	98	Very high	97.2	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-45.2	174.1	0	0	0	0	0	111.5	I254 L264 L266 S271 I275 L311	I254-A268 HydrophobicContact CD1-CB 3.69Å; I254-A268 HydrophobicContact CG2-CB 4.29Å; L264-A268 WeakPolarHBondContact O-CB 3.37Å; L264-A268 PolarHBondContact O-N 3.28Å; L266-A268 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 2.98Å; A268-S271 WeakPolarHBondContact O-CB 3.4Å; A268-S271 PolarHBondContact O-N 3.41Å; A268-S271 PolarHBondContact O-OG 3Å; A268-I275 HydrophobicContact CB-CD1 3.83Å; A268-I275 HydrophobicContact CB-CG1 4.29Å; A268-L311 HydrophobicContact CB-CD1 4.22Å
269	R	97.6	Very high	97.2	Very high	181 Å²	181	51.4 Å²	51.4	68%	0.683	27%	0.271	S	S	*	.	H	α-helix	trans	-64.1	-43.8	177.1	-73.2	174.7	-178.4	-176.8	2.5	112.4	V265 L266 G267 S271 G272 I275	V265-R269 VanDerWaalsContact O-CG 3.29Å; V265-R269 WeakPolarHBondContact O-CG 3.24Å; V265-R269 PolarHBondContact O-N 3.35Å; L266-R269 PolarHBondContact O-N 3.13Å; G267-R269 PolarHBondContact O-N 2.99Å; R269-S271 VanDerWaalsContact C-N 3.25Å; R269-S271 PolarHBondContact O-N 3.32Å; R269-G272 PolarHBondContact O-N 3.46Å; R269-I275 HydrophobicContact CG-CD1 4.13Å
270	L	96.9	Very high	97.2	Very high	99 Å²	99	50.7 Å²	50.7	52%	0.518	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-27.3	179.4	-70.6	175.6	0	0	0	112.9	P245 L266 G267 G272	P245-L270 HydrophobicContact CG-CB 3.76Å; L266-L270 HydrophobicContact CD1-CD1 4.12Å; L266-L270 HydrophobicContact CD1-CG 4.09Å; L266-L270 HydrophobicContact CD2-CD1 4.48Å; L266-L270 HydrophobicContact CG-CD1 3.9Å; L266-L270 HydrophobicContact CG-CG 4.29Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 WeakPolarHBondContact O-CG 3.24Å; L266-L270 PolarHBondContact O-N 2.96Å; G267-L270 PolarHBondContact O-N 2.81Å; L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 2.88Å
271	S	96.9	Very high	97	Very high	14 Å²	14	50.9 Å²	50.9	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-26.7	179.2	77.2	0	0	0	0	114.2	V248 G249 G267 A268 R269 A273	V248-S271 WeakPolarHBondContact O-CB 3.47Å; G249-S271 VanDerWaalsContact CA-O 3.26Å; G249-S271 WeakPolarHBondContact CA-O 3.29Å; G267-S271 PolarHBondContact O-N 2.96Å; A268-S271 WeakPolarHBondContact O-CB 3.4Å; A268-S271 PolarHBondContact O-N 3.41Å; A268-S271 PolarHBondContact O-OG 3Å; R269-S271 VanDerWaalsContact C-N 3.25Å; R269-S271 PolarHBondContact O-N 3.32Å; S271-A273 PolarHBondContact O-N 3.37Å; S271-A273 VanDerWaalsContact OG-CB 3.29Å; S271-A273 WeakPolarHBondContact OG-CB 3.38Å; S271-A273 PolarHBondContact OG-N 3.4Å; S271-A273 VanDerWaalsContact OG-N 3.07Å
272	G	96.3	Very high	96.9	Very high	45 Å²	45	50.2 Å²	50.2	46%	0.464	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	12.3	-170.5	0	0	0	0	0	114.4	R269 L270	R269-G272 PolarHBondContact O-N 3.46Å; L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 2.88Å
273	A	97.6	Very high	96.9	Very high	12 Å²	12	48 Å²	48	10%	0.099	25%	0.246	C	C	.	.			trans	-69.5	161.8	169.2	0	0	0	0	0	111.4	V248 G249 C252 I254 S271	V248-A273 HydrophobicContact CG2-CB 4.48Å; G249-A273 WeakPolarHBondContact O-CA 3.28Å; C252-A273 HydrophobicContact CB-CB 4.25Å; I254-A273 HydrophobicContact CD1-CB 3.88Å; I254-A273 HydrophobicContact CG1-CB 3.96Å; S271-A273 PolarHBondContact O-N 3.37Å; S271-A273 VanDerWaalsContact OG-CB 3.29Å; S271-A273 WeakPolarHBondContact OG-CB 3.38Å; S271-A273 PolarHBondContact OG-N 3.4Å; S271-A273 VanDerWaalsContact OG-N 3.07Å
274	T	97.9	Very high	96.9	Very high	50 Å²	50	54.2 Å²	54.2	31%	0.307	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.6	168.2	-59	0	0	0	0	108.6	C252 L253 I254 W305	C252-T274 PolarHBondContact O-N 3.09Å; L253-T274 CarbonylContact C-O 3.56Å; L253-T274 WeakPolarHBondContact CA-O 3.48Å; L253-T274 HydrophobicContact CD1-CG2 4.17Å; I254-T274 PolarHBondContact N-O 3.36Å; T274-W305 HydrophobicContact CG2-CH2 3.85Å; T274-W305 HydrophobicContact CG2-CZ3 4.49Å
275	I	98.3	Very high	96.9	Very high	64 Å²	64	55.4 Å²	55.4	33%	0.328	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.9	-179.6	-52.8	167.8	0	0	0	108.4	I254 A268 R269	I254-I275 HydrophobicContact CB-CG1 4.4Å; I254-I275 WeakPolarHBondContact O-CA 3.27Å; A268-I275 HydrophobicContact CB-CD1 3.83Å; A268-I275 HydrophobicContact CB-CG1 4.29Å; R269-I275 HydrophobicContact CG-CD1 4.13Å
276	R	98.1	Very high	96.9	Very high	65 Å²	65	53.2 Å²	53.2	25%	0.245	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.1	166.9	-63	-178.6	-178	-179.5	0.6	108.9	L253 I254 L255 S256 L289	L253-R276 HydrophobicContact CD1-CB 4.34Å; L253-R276 HydrophobicContact CD1-CG 3.86Å; I254-R276 PolarHBondContact O-N 3.17Å; L255-R276 WeakPolarHBondContact CA-O 3.23Å; L255-R276 HydrophobicContact CD2-CB 3.89Å; S256-R276 PolarHBondContact N-O 3.48Å; R276-L289 HydrophobicContact CB-CD1 4.1Å
277	I	98.4	Very high	96.9	Very high	111 Å²	111	51.9 Å²	51.9	57%	0.569	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.5	-177.9	-59.3	170.2	0	0	0	108.2	S256 E258	S256-I277 VanDerWaalsContact O-CA 3.28Å; S256-I277 WeakPolarHBondContact O-CA 3.29Å; E258-I277 HydrophobicContact CB-CG2 3.84Å; E258-I277 HydrophobicContact CG-CG2 4.33Å
278	F	98.3	Very high	97	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	154.6	167.9	64.6	-87.3	0	0	0	110.3	L255 S256 D257 E258 L286 L289 I310 V312	L255-F278 HydrophobicContact CB-CD1 4.25Å; L255-F278 HydrophobicContact CB-CE1 4.47Å; S256-F278 VanDerWaalsContact O-CD1 3.28Å; S256-F278 WeakPolarHBondContact O-CD1 3.48Å; S256-F278 PolarHBondContact O-N 3.38Å; D257-F278 HydrophobicContact CB-CE1 4.19Å; D257-F278 HydrophobicContact CB-CE2 3.96Å; D257-F278 HydrophobicContact CB-CZ 3.61Å; D257-F278 VanDerWaalsContact OD2-CE2 3.27Å; D257-F278 WeakPolarHBondContact OD2-CE2 3.42Å; E258-F278 WeakPolarHBondContact CB-O 3.25Å; E258-F278 PolarHBondContact N-O 3.29Å; E258-F278 VanDerWaalsContact N-O 3.12Å; F278-L286 HydrophobicContact CB-CB 4.44Å; F278-L286 HydrophobicContact CD1-CD1 3.87Å; F278-L286 HydrophobicContact CD2-CB 4Å; F278-L286 HydrophobicContact CE1-CD1 3.98Å; F278-L286 HydrophobicContact CE2-CB 4.42Å; F278-L286 HydrophobicContact CG-CB 4.11Å; F278-L286 HydrophobicContact CG-CD1 4.23Å; F278-L286 HydrophobicContact CZ-CD1 4.46Å; F278-L289 HydrophobicContact CB-CD1 3.82Å; F278-I310 HydrophobicContact CE1-CG2 4.41Å; F278-V312 HydrophobicContact CZ-CG1 3.9Å
279	K	96.2	Very high	97	Very high	113 Å²	113	59.6 Å²	59.6	49%	0.491	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-62.5	140.3	179.9	-71	-59.4	-173.2	177.9	0	111.7	E258 N281 N282 S285	E258-K279 IonicContact OE1-NZ 3.53Å; E258-K279 PolarHBondContact OE1-NZ 2.89Å; E258-K279 WeakPolarHBondContact OE2-CD 3.45Å; E258-K279 IonicContact OE2-NZ 3.53Å; E258-K279 PolarHBondContact OE2-NZ 3.23Å; K279-N281 PolarHBondContact O-N 3.05Å; K279-N282 HydrophobicContact CB-CB 3.82Å; K279-N282 VanDerWaalsContact O-CB 3.25Å; K279-N282 WeakPolarHBondContact O-CB 3.4Å; K279-N282 PolarHBondContact O-N 3.43Å; K279-S285 PolarHBondContact N-OG 3Å; K279-S285 VanDerWaalsContact N-OG 3.12Å
280	H	94.4	Very high	97	Very high	44 Å²	44	51 Å²	51	20%	0.204	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	125.3	-174.1	-178.6	56.3	0	0	0	112.9	D257 E258 L259 N282 Y316 S321	D257-H280 IonicContact OD1-CE1 2.91Å; D257-H280 IonicContact OD1-CG 3.45Å; D257-H280 IonicContact OD1-ND1 2.65Å; D257-H280 PolarHBondContact OD1-ND1 2.82Å; D257-H280 WeakPolarHBondContact OD2-CA 3.3Å; D257-H280 IonicContact OD2-ND1 2.87Å; E258-H280 HydrophobicContact CB-CB 4.42Å; L259-H280 HydrophobicContact CD1-CB 3.94Å; L259-H280 VanDerWaalsContact CD1-CG 3.45Å; L259-H280 HydrophobicContact CG-CB 3.99Å; H280-N282 PolarHBondContact O-N 3.12Å; H280-Y316 AromaticContact CE1-CD1 3.6Å; H280-Y316 AromaticContact CE1-CD2 3.41Å; H280-Y316 VanDerWaalsContact CE1-CD2 3.41Å; H280-Y316 WeakPolarHBondContact CE1-CD2 3.21Å; H280-Y316 AromaticContact CE1-CE1 3.68Å; H280-Y316 AromaticContact CE1-CE2 3.49Å; H280-Y316 VanDerWaalsContact CE1-CE2 3.49Å; H280-Y316 WeakPolarHBondContact CE1-CE2 3.26Å; H280-Y316 AromaticContact CE1-CG 3.45Å; H280-Y316 VanDerWaalsContact CE1-CG 3.45Å; H280-Y316 AromaticContact CE1-CZ 3.63Å; H280-Y316 AromaticContact ND1-CE1 3.86Å; H280-Y316 AromaticContact ND1-CZ 3.97Å; H280-S321 PolarHBondContact CE1-OG 2.83Å; H280-S321 VanDerWaalsContact CE1-OG 3.32Å; H280-S321 PolarHBondContact NE2-OG 3.49Å
281	N	92.2	Very high	97.1	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.08	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	20.4	179.1	-145.8	13.8	0	0	0	114.8	E59 D257 K279 I322 R324	E59-N281 PolarHBondContact OE2-ND2 3.17Å; D257-N281 PolarHBondContact OD2-N 2.66Å; K279-N281 PolarHBondContact O-N 3.05Å; N281-I322 PolarHBondContact ND2-O 2.71Å; N281-R324 WeakPolarHBondContact OD1-CB 3.21Å; N281-R324 WeakPolarHBondContact OD1-CG 3.45Å; N281-R324 PolarHBondContact OD1-N 2.49Å
282	N	94.6	Very high	97.1	Very high	60 Å²	60	52 Å²	52	32%	0.321	26%	0.264	S	S	.	.			trans	-102.5	102.7	-172.9	-171.5	-61.8	0	0	0	111.8	K279 H280 Q284 S285 L286	K279-N282 HydrophobicContact CB-CB 3.82Å; K279-N282 VanDerWaalsContact O-CB 3.25Å; K279-N282 WeakPolarHBondContact O-CB 3.4Å; K279-N282 PolarHBondContact O-N 3.43Å; H280-N282 PolarHBondContact O-N 3.12Å; N282-Q284 VanDerWaalsContact C-N 3.32Å; N282-Q284 PolarHBondContact O-N 3.3Å; N282-Q284 PolarHBondContact OD1-N 2.89Å; N282-Q284 PolarHBondContact OD1-OE1 2.97Å; N282-S285 WeakPolarHBondContact O-CB 3.26Å; N282-S285 PolarHBondContact O-N 2.96Å; N282-S285 WeakPolarHBondContact OD1-CB 3.36Å; N282-S285 PolarHBondContact OD1-N 2.95Å; N282-L286 PolarHBondContact O-N 3.43Å
283	M	95.9	Very high	97.1	Very high	16 Å²	16	49.9 Å²	49.9	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-27.4	-175.2	-62.7	-57.8	105.6	0	0	113.4	L286 E287 R324 E327 V328 L331	M283-L286 HydrophobicContact CE-CD2 4.33Å; M283-L286 PolarHBondContact O-N 2.85Å; M283-L286 HydrophobicContact SD-CD2 4.13Å; M283-E287 VanDerWaalsContact O-CB 3.28Å; M283-E287 WeakPolarHBondContact O-CB 3.09Å; M283-E287 PolarHBondContact O-N 3.22Å; M283-R324 HydrophobicContact CE-CB 4.4Å; M283-E327 HydrophobicContact CG-CB 3.65Å; M283-E327 HydrophobicContact CG-CG 4.39Å; M283-E327 HydrophobicContact SD-CB 3.85Å; M283-V328 HydrophobicContact CE-CG2 3.7Å; M283-V328 HydrophobicContact SD-CG2 3.61Å; M283-L331 HydrophobicContact CB-CD1 4.25Å; M283-L331 HydrophobicContact SD-CD1 4.11Å
284	Q	96.3	Very high	97	Very high	132 Å²	132	54 Å²	54	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-68.6	-41.2	174.8	-61.5	82.5	-1.1	0	0	111	N282 K288	N282-Q284 VanDerWaalsContact C-N 3.32Å; N282-Q284 PolarHBondContact O-N 3.3Å; N282-Q284 PolarHBondContact OD1-N 2.89Å; N282-Q284 PolarHBondContact OD1-OE1 2.97Å; Q284-K288 WeakPolarHBondContact O-CB 3.39Å; Q284-K288 PolarHBondContact O-N 2.97Å
285	S	97.7	Very high	97	Very high	26 Å²	26	56.6 Å²	56.6	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-45.4	174.2	-174.9	0	0	0	0	111.1	K279 N282 K288 L289	K279-S285 PolarHBondContact N-OG 3Å; K279-S285 VanDerWaalsContact N-OG 3.12Å; N282-S285 WeakPolarHBondContact O-CB 3.26Å; N282-S285 PolarHBondContact O-N 2.96Å; N282-S285 WeakPolarHBondContact OD1-CB 3.36Å; N282-S285 PolarHBondContact OD1-N 2.95Å; S285-K288 PolarHBondContact O-N 2.83Å; S285-L289 WeakPolarHBondContact O-CG 3.35Å; S285-L289 PolarHBondContact O-N 2.83Å
286	L	98.4	Very high	96.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-49.4	176.9	176	57.1	0	0	0	111.2	L255 F278 N282 M283 K288 L289 L290 I310 V328 L331	L255-L286 HydrophobicContact CB-CD1 4.2Å; L255-L286 HydrophobicContact CD1-CD1 3.8Å; F278-L286 HydrophobicContact CB-CB 4.44Å; F278-L286 HydrophobicContact CD1-CD1 3.87Å; F278-L286 HydrophobicContact CD2-CB 4Å; F278-L286 HydrophobicContact CE1-CD1 3.98Å; F278-L286 HydrophobicContact CE2-CB 4.42Å; F278-L286 HydrophobicContact CG-CB 4.11Å; F278-L286 HydrophobicContact CG-CD1 4.23Å; F278-L286 HydrophobicContact CZ-CD1 4.46Å; N282-L286 PolarHBondContact O-N 3.43Å; M283-L286 HydrophobicContact CE-CD2 4.33Å; M283-L286 PolarHBondContact O-N 2.85Å; M283-L286 HydrophobicContact SD-CD2 4.13Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 3.44Å; L286-L289 PolarHBondContact O-N 2.82Å; L286-L290 HydrophobicContact CD1-CD1 4.09Å; L286-L290 HydrophobicContact CD1-CG 4.29Å; L286-L290 HydrophobicContact CG-CD1 4Å; L286-L290 WeakPolarHBondContact O-CG 3.37Å; L286-L290 PolarHBondContact O-N 3.2Å; L286-I310 HydrophobicContact CD1-CD1 4.4Å; L286-I310 HydrophobicContact CD1-CG1 4.42Å; L286-I310 HydrophobicContact CD1-CG2 4.26Å; L286-I310 HydrophobicContact CD2-CD1 4.49Å; L286-I310 HydrophobicContact CD2-CG2 4.32Å; L286-V328 HydrophobicContact CD2-CG2 4.23Å; L286-L331 HydrophobicContact CB-CD1 4.32Å; L286-L331 HydrophobicContact CD2-CD1 3.9Å; L286-L331 HydrophobicContact CG-CD1 4.01Å
287	E	98.4	Very high	96.7	Very high	40 Å²	40	56.7 Å²	56.7	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-40.7	179.8	-172.3	178.9	-146.9	0	0	111.7	M283 L289 L290 K291 L331 K334 Y335	M283-E287 VanDerWaalsContact O-CB 3.28Å; M283-E287 WeakPolarHBondContact O-CB 3.09Å; M283-E287 PolarHBondContact O-N 3.22Å; E287-L289 PolarHBondContact O-N 3.3Å; E287-L290 PolarHBondContact O-N 3.15Å; E287-K291 VanDerWaalsContact CD-CE 3.41Å; E287-K291 HydrophobicContact CG-CD 4.19Å; E287-K291 HydrophobicContact CG-CG 4.37Å; E287-K291 WeakPolarHBondContact O-CG 3.21Å; E287-K291 PolarHBondContact O-N 3.27Å; E287-K291 WeakPolarHBondContact OE1-CE 3.26Å; E287-K291 IonicContact OE1-NZ 3.46Å; E287-K291 PolarHBondContact OE1-NZ 2.53Å; E287-K291 IonicContact OE2-NZ 2.84Å; E287-K291 PolarHBondContact OE2-NZ 3.12Å; E287-L331 HydrophobicContact CB-CD1 4.14Å; E287-L331 HydrophobicContact CB-CD2 3.77Å; E287-L331 HydrophobicContact CG-CD2 3.72Å; E287-K334 IonicContact OE1-NZ 2.76Å; E287-K334 PolarHBondContact OE1-NZ 3.41Å; E287-Y335 HydrophobicContact CG-CE2 3.76Å; E287-Y335 WeakPolarHBondContact CG-OH 3.18Å; E287-Y335 PolarHBondContact OE1-OH 3Å
288	K	98.4	Very high	96.5	Very high	135 Å²	135	53.1 Å²	53.1	59%	0.587	26%	0.257	S	S	*	.	H	α-helix	trans	-57.7	-48	175.8	-178.2	-179.7	177.1	-178.1	0	111.4	Q284 S285 L286 L290 K291 D292	Q284-K288 WeakPolarHBondContact O-CB 3.39Å; Q284-K288 PolarHBondContact O-N 2.97Å; S285-K288 PolarHBondContact O-N 2.83Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 3.44Å; K288-L290 VanDerWaalsContact C-N 3.35Å; K288-L290 PolarHBondContact O-N 3.18Å; K288-K291 PolarHBondContact O-N 3.49Å; K288-D292 WeakPolarHBondContact O-CB 3.49Å; K288-D292 VanDerWaalsContact O-CG 3.3Å; K288-D292 PolarHBondContact O-N 2.77Å
289	L	98.3	Very high	96.2	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-36	179.4	-67.1	-176.4	0	0	0	112.8	L255 R276 F278 S285 L286 E287 A293	L255-L289 HydrophobicContact CD1-CB 4.31Å; L255-L289 HydrophobicContact CD2-CB 3.95Å; L255-L289 HydrophobicContact CD2-CD1 4.11Å; R276-L289 HydrophobicContact CB-CD1 4.1Å; F278-L289 HydrophobicContact CB-CD1 3.82Å; S285-L289 WeakPolarHBondContact O-CG 3.35Å; S285-L289 PolarHBondContact O-N 2.83Å; L286-L289 PolarHBondContact O-N 2.82Å; E287-L289 PolarHBondContact O-N 3.3Å; L289-A293 VanDerWaalsContact O-CB 3.27Å; L289-A293 WeakPolarHBondContact O-CB 3.27Å; L289-A293 PolarHBondContact O-N 2.86Å
290	L	98.5	Very high	95.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-49.4	173.5	-75.5	166.6	0	0	0	111.1	L255 L286 E287 K288 D292 A293 I294 I308 I310 L331 Y335 A337	L255-L290 HydrophobicContact CD1-CD2 3.48Å; L255-L290 VanDerWaalsContact CD1-CD2 3.48Å; L255-L290 HydrophobicContact CD1-CG 3.61Å; L286-L290 HydrophobicContact CD1-CD1 4.09Å; L286-L290 HydrophobicContact CD1-CG 4.29Å; L286-L290 HydrophobicContact CG-CD1 4Å; L286-L290 WeakPolarHBondContact O-CG 3.37Å; L286-L290 PolarHBondContact O-N 3.2Å; E287-L290 PolarHBondContact O-N 3.15Å; K288-L290 VanDerWaalsContact C-N 3.35Å; K288-L290 PolarHBondContact O-N 3.18Å; L290-D292 PolarHBondContact O-N 3.16Å; L290-A293 WeakPolarHBondContact O-CB 3.48Å; L290-A293 PolarHBondContact O-N 3.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.3Å; L290-I308 HydrophobicContact CD2-CG2 3.99Å; L290-I310 HydrophobicContact CD1-CD1 4.33Å; L290-L331 HydrophobicContact CD1-CB 3.96Å; L290-Y335 HydrophobicContact CB-CD1 4.26Å; L290-Y335 HydrophobicContact CB-CD2 3.9Å; L290-Y335 HydrophobicContact CB-CE2 4.34Å; L290-Y335 HydrophobicContact CB-CG 3.88Å; L290-Y335 HydrophobicContact CD1-CD2 3.78Å; L290-Y335 HydrophobicContact CD1-CE2 4.45Å; L290-Y335 HydrophobicContact CD1-CG 4.33Å; L290-Y335 HydrophobicContact CG-CD2 4.37Å; L290-A337 HydrophobicContact CD2-CB 4.1Å
291	K	97.9	Very high	95.7	Very high	89 Å²	89	64.1 Å²	64.1	39%	0.387	31%	0.311	S	S	.	.	H	α-helix	trans	-55.8	-50.5	175	-73.9	173	-176.8	160.5	0	111.1	E287 K288 A293 I294 V295 Y335	E287-K291 VanDerWaalsContact CD-CE 3.41Å; E287-K291 HydrophobicContact CG-CD 4.19Å; E287-K291 HydrophobicContact CG-CG 4.37Å; E287-K291 WeakPolarHBondContact O-CG 3.21Å; E287-K291 PolarHBondContact O-N 3.27Å; E287-K291 WeakPolarHBondContact OE1-CE 3.26Å; E287-K291 IonicContact OE1-NZ 3.46Å; E287-K291 PolarHBondContact OE1-NZ 2.53Å; E287-K291 IonicContact OE2-NZ 2.84Å; E287-K291 PolarHBondContact OE2-NZ 3.12Å; K288-K291 PolarHBondContact O-N 3.49Å; K291-A293 VanDerWaalsContact C-N 3.28Å; K291-A293 PolarHBondContact O-N 3.3Å; K291-I294 PolarHBondContact O-N 2.78Å; K291-V295 WeakPolarHBondContact O-CB 3.28Å; K291-V295 VanDerWaalsContact O-CG2 3.31Å; K291-V295 WeakPolarHBondContact O-CG2 3.39Å; K291-V295 PolarHBondContact O-N 3.13Å; K291-Y335 WeakPolarHBondContact CE-OH 3.24Å; K291-Y335 HydrophobicContact CG-CE1 3.77Å; K291-Y335 WeakPolarHBondContact CG-OH 3.43Å
292	D	97.2	Very high	95.8	Very high	46 Å²	46	71.5 Å²	71.5	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-38.2	179.3	-73	-15.9	0	0	0	112.1	K288 L290 Y296	K288-D292 WeakPolarHBondContact O-CB 3.49Å; K288-D292 VanDerWaalsContact O-CG 3.3Å; K288-D292 PolarHBondContact O-N 2.77Å; L290-D292 PolarHBondContact O-N 3.16Å; D292-Y296 HydrophobicContact CB-CD2 4.05Å; D292-Y296 HydrophobicContact CB-CE2 4.34Å; D292-Y296 WeakPolarHBondContact O-CB 3.44Å; D292-Y296 VanDerWaalsContact O-CD2 3.3Å; D292-Y296 WeakPolarHBondContact O-CD2 3.43Å; D292-Y296 PolarHBondContact O-N 3.05Å
293	A	96.9	Very high	95.8	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-41.3	178	0	0	0	0	0	112.3	L253 L289 L290 K291 G297 W305 I308	L253-A293 HydrophobicContact CD2-CB 3.33Å; L289-A293 VanDerWaalsContact O-CB 3.27Å; L289-A293 WeakPolarHBondContact O-CB 3.27Å; L289-A293 PolarHBondContact O-N 2.86Å; L290-A293 WeakPolarHBondContact O-CB 3.48Å; L290-A293 PolarHBondContact O-N 3.18Å; K291-A293 VanDerWaalsContact C-N 3.28Å; K291-A293 PolarHBondContact O-N 3.3Å; A293-G297 WeakPolarHBondContact O-CA 3.28Å; A293-G297 PolarHBondContact O-N 3.34Å; A293-G297 VanDerWaalsContact O-N 3.1Å; A293-W305 PolarHBondContact O-NE1 3.46Å; A293-W305 VanDerWaalsContact O-NE1 3.08Å; A293-I308 HydrophobicContact CB-CD1 3.93Å
294	I	95.8	Very high	95.8	Very high	98 Å²	98	81.5 Å²	81.5	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-71.7	-45.2	178.1	-62.7	-60.1	0	0	0	111.2	L290 K291 I308 Y335	L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.3Å; K291-I294 PolarHBondContact O-N 2.78Å; I294-I308 HydrophobicContact CD1-CD1 3.89Å; I294-Y335 HydrophobicContact CG1-CD1 4.25Å
295	V	96	Very high	95.9	Very high	104 Å²	104	76.6 Å²	76.6	63%	0.63	36%	0.36	S	S	*	.	H	α-helix	trans	-70.4	-45.4	-175.7	172.9	0	0	0	0	112	K291	K291-V295 WeakPolarHBondContact O-CB 3.28Å; K291-V295 VanDerWaalsContact O-CG2 3.31Å; K291-V295 WeakPolarHBondContact O-CG2 3.39Å; K291-V295 PolarHBondContact O-N 3.13Å
296	Y	95.8	Very high	95.9	Very high	125 Å²	125	83 Å²	83	49%	0.49	39%	0.385	S	S	.	.	H	α-helix	trans	-99	-15.6	-171.9	-58.1	-61.6	0	0	0	114.3	D292 R302	D292-Y296 HydrophobicContact CB-CD2 4.05Å; D292-Y296 HydrophobicContact CB-CE2 4.34Å; D292-Y296 WeakPolarHBondContact O-CB 3.44Å; D292-Y296 VanDerWaalsContact O-CD2 3.3Å; D292-Y296 WeakPolarHBondContact O-CD2 3.43Å; D292-Y296 PolarHBondContact O-N 3.05Å; Y296-R302 VanDerWaalsContact O-CD 3.25Å; Y296-R302 WeakPolarHBondContact O-CD 3.37Å
297	G	94.6	Very high	95.9	Very high	6 Å²	6	87 Å²	87	6%	0.062	40%	0.402	C	S	.	.			trans	63.5	-156	-177.2	0	0	0	0	0	113.8	A293 R303 W305	A293-G297 WeakPolarHBondContact O-CA 3.28Å; A293-G297 PolarHBondContact O-N 3.34Å; A293-G297 VanDerWaalsContact O-N 3.1Å; G297-R303 CarbonylContact C-O 3.54Å; G297-R303 WeakPolarHBondContact CA-O 3.15Å; G297-W305 PolarHBondContact O-NE1 3.4Å
298	Q	95.3	Very high	95.9	Very high	37 Å²	37	85.7 Å²	85.7	17%	0.173	40%	0.396	C	S	.	.	S	Bend	trans	-65.7	141.2	-180	-72.2	179.9	49.5	0	0	112	R300 T301 R302 R303 P304 W305	Q298-R300 PolarHBondContact O-N 3Å; Q298-T301 WeakPolarHBondContact CB-OG1 3.37Å; Q298-R302 WeakPolarHBondContact O-CA 3.34Å; Q298-R302 PolarHBondContact O-N 2.91Å; Q298-R303 WeakPolarHBondContact CB-O 3.25Å; Q298-R303 WeakPolarHBondContact CG-O 3.42Å; Q298-R303 PolarHBondContact N-O 2.93Å; Q298-P304 PolarHBondContact NE2-O 3.32Å; Q298-W305 HydrophobicContact CG-CD2 3.81Å; Q298-W305 HydrophobicContact CG-CE3 3.58Å; Q298-W305 HydrophobicContact CG-CG 4.47Å; Q298-W305 HydrophobicContact CG-CH2 4.21Å; Q298-W305 HydrophobicContact CG-CZ2 4.4Å; Q298-W305 HydrophobicContact CG-CZ3 3.8Å
299	P	90.6	Very high	95.9	Very high	66 Å²	66	79.5 Å²	79.5	43%	0.429	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	139.9	174	-24.9	33	0	0	0	111.8	T301 W305	P299-T301 PolarHBondContact O-N 3.36Å; P299-W305 VanDerWaalsContact CD-CH2 3.42Å; P299-W305 HydrophobicContact CG-CH2 4.34Å
300	R	89.6	Confident	95.9	Very high	247 Å²	247	78.2 Å²	78.2	93%	0.932	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-46.9	-178.5	-54.4	176.6	174.4	144	-1.8	115.3	Q298	Q298-R300 PolarHBondContact O-N 3Å
301	T	92.3	Very high	96	Very high	76 Å²	76	78.2 Å²	78.2	47%	0.466	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.1	-174.9	65.8	0	0	0	0	113.5	Q298 P299 R303	Q298-T301 WeakPolarHBondContact CB-OG1 3.37Å; P299-T301 PolarHBondContact O-N 3.36Å; T301-R303 PolarHBondContact O-N 3.12Å; T301-R303 PolarHBondContact OG1-N 2.83Å
302	R	93.4	Very high	96	Very high	169 Å²	169	74 Å²	74	64%	0.638	35%	0.345	S	S	*	.			trans	56.3	12.7	-174.7	-53	-61.5	-170.3	131.5	2.9	114.3	Y296 Q298	Y296-R302 VanDerWaalsContact O-CD 3.25Å; Y296-R302 WeakPolarHBondContact O-CD 3.37Å; Q298-R302 WeakPolarHBondContact O-CA 3.34Å; Q298-R302 PolarHBondContact O-N 2.91Å
303	R	95.2	Very high	96	Very high	174 Å²	174	72 Å²	72	66%	0.657	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-71.5	150.9	177.8	-69.3	-178.1	-180	-178.5	-0.8	110.3	G297 Q298 T301	G297-R303 CarbonylContact C-O 3.54Å; G297-R303 WeakPolarHBondContact CA-O 3.15Å; Q298-R303 WeakPolarHBondContact CB-O 3.25Å; Q298-R303 WeakPolarHBondContact CG-O 3.42Å; Q298-R303 PolarHBondContact N-O 2.93Å; T301-R303 PolarHBondContact O-N 3.12Å; T301-R303 PolarHBondContact OG1-N 2.83Å
304	P	96.4	Very high	96.1	Very high	112 Å²	112	72 Å²	72	73%	0.727	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-55.2	148.1	170.9	-25	34.6	0	0	0	112.1	Q298	Q298-P304 PolarHBondContact NE2-O 3.32Å
305	W	97.8	Very high	96.2	Very high	29 Å²	29	67.3 Å²	67.3	11%	0.11	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.4	140.1	173	-64	99.7	0	0	0	110.4	C252 L253 T274 A293 G297 Q298 P299 I308	C252-W305 VanDerWaalsContact C-CE3 3.41Å; C252-W305 VanDerWaalsContact O-CZ3 3.28Å; C252-W305 WeakPolarHBondContact O-CZ3 3.47Å; L253-W305 HydrophobicContact CB-CD2 3.65Å; L253-W305 HydrophobicContact CB-CE3 3.58Å; L253-W305 HydrophobicContact CB-CG 4.23Å; L253-W305 HydrophobicContact CB-CH2 4.09Å; L253-W305 HydrophobicContact CB-CZ2 4.17Å; L253-W305 HydrophobicContact CB-CZ3 3.8Å; L253-W305 HydrophobicContact CD1-CH2 4.16Å; L253-W305 HydrophobicContact CD1-CZ2 4.24Å; L253-W305 HydrophobicContact CD2-CD2 4.43Å; L253-W305 HydrophobicContact CD2-CZ2 4.17Å; L253-W305 HydrophobicContact CG-CZ2 4.45Å; T274-W305 HydrophobicContact CG2-CH2 3.85Å; T274-W305 HydrophobicContact CG2-CZ3 4.49Å; A293-W305 PolarHBondContact O-NE1 3.46Å; A293-W305 VanDerWaalsContact O-NE1 3.08Å; G297-W305 PolarHBondContact O-NE1 3.4Å; Q298-W305 HydrophobicContact CG-CD2 3.81Å; Q298-W305 HydrophobicContact CG-CE3 3.58Å; Q298-W305 HydrophobicContact CG-CG 4.47Å; Q298-W305 HydrophobicContact CG-CH2 4.21Å; Q298-W305 HydrophobicContact CG-CZ2 4.4Å; Q298-W305 HydrophobicContact CG-CZ3 3.8Å; P299-W305 VanDerWaalsContact CD-CH2 3.42Å; P299-W305 HydrophobicContact CG-CH2 4.34Å; W305-I308 HydrophobicContact CB-CD1 4.38Å; W305-I308 HydrophobicContact CB-CG1 3.85Å; W305-I308 HydrophobicContact CG-CD1 4.4Å; W305-I308 HydrophobicContact CG-CG1 4.12Å
306	K	97.4	Very high	96.2	Very high	161 Å²	161	62.3 Å²	62.3	70%	0.7	28%	0.279	S	S	*	.	S	Bend	trans	-67.3	-43.2	173.9	-69	-176.9	175.8	-178.2	0	111.5	G251	G251-K306 PolarHBondContact O-N 2.99Å
307	K	97.9	Very high	95.9	Very high	83 Å²	83	56.8 Å²	56.8	36%	0.361	26%	0.259	S	S	.	.			trans	-147	145.4	174.9	-62.4	-174.8	-175.1	175.8	0	108.8	L247 V248 C252 L253 Y338	L247-K307 PolarHBondContact O-NZ 3.5Å; V248-K307 HydrophobicContact CG1-CB 4.41Å; V248-K307 HydrophobicContact CG1-CD 4.4Å; C252-K307 WeakPolarHBondContact CA-O 3.49Å; C252-K307 HydrophobicContact CB-CB 4.36Å; L253-K307 PolarHBondContact N-O 2.82Å; K307-Y338 HydrophobicContact CB-CD2 4.26Å; K307-Y338 HydrophobicContact CB-CE2 4.26Å; K307-Y338 HydrophobicContact CD-CE2 4.26Å; K307-Y338 HydrophobicContact CG-CD2 4.43Å; K307-Y338 HydrophobicContact CG-CE2 4.01Å
308	I	98.6	Very high	95.8	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.6	166.1	-56.2	176.7	0	0	0	106.2	L253 L255 L290 A293 I294 W305 A337 Y338	L253-I308 HydrophobicContact CB-CG1 4.28Å; L253-I308 HydrophobicContact CB-CG2 4.44Å; L253-I308 HydrophobicContact CD2-CG1 4.41Å; L253-I308 HydrophobicContact CD2-CG2 4.15Å; L253-I308 HydrophobicContact CG-CG2 4.36Å; L253-I308 CarbonylContact O-C 3.59Å; L253-I308 WeakPolarHBondContact O-CA 3.29Å; L255-I308 HydrophobicContact CD1-CG2 4.12Å; L255-I308 HydrophobicContact CG-CG2 4.23Å; L290-I308 HydrophobicContact CD2-CG2 3.99Å; A293-I308 HydrophobicContact CB-CD1 3.93Å; I294-I308 HydrophobicContact CD1-CD1 3.89Å; W305-I308 HydrophobicContact CB-CD1 4.38Å; W305-I308 HydrophobicContact CB-CG1 3.85Å; W305-I308 HydrophobicContact CG-CD1 4.4Å; W305-I308 HydrophobicContact CG-CG1 4.12Å; I308-A337 HydrophobicContact CB-CB 4.23Å; I308-A337 HydrophobicContact CG2-CB 4.21Å; I308-Y338 PolarHBondContact O-N 3.1Å
309	L	98.8	Very high	95.5	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.5	-178	-176.1	66.4	0	0	0	109.5	V248 L253 I254 L255 L311	V248-L309 HydrophobicContact CG1-CB 4.04Å; V248-L309 HydrophobicContact CG1-CD2 3.91Å; V248-L309 HydrophobicContact CG2-CD2 4.17Å; L253-L309 PolarHBondContact O-N 3.39Å; I254-L309 CarbonylContact C-O 3.58Å; I254-L309 WeakPolarHBondContact CA-O 3.33Å; L255-L309 PolarHBondContact N-O 2.95Å; L309-L311 HydrophobicContact CD2-CD2 3.68Å; L309-L311 HydrophobicContact CG-CD2 3.82Å
310	I	98.9	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.7	173.7	-54.3	172.3	0	0	0	107.4	L255 F278 L286 L290 V312 V328 K332 A337 Y338 L339 Y340	L255-I310 WeakPolarHBondContact O-CA 3.49Å; F278-I310 HydrophobicContact CE1-CG2 4.41Å; L286-I310 HydrophobicContact CD1-CD1 4.4Å; L286-I310 HydrophobicContact CD1-CG1 4.42Å; L286-I310 HydrophobicContact CD1-CG2 4.26Å; L286-I310 HydrophobicContact CD2-CD1 4.49Å; L286-I310 HydrophobicContact CD2-CG2 4.32Å; L290-I310 HydrophobicContact CD1-CD1 4.33Å; I310-V312 HydrophobicContact CG2-CG1 4.17Å; I310-V328 HydrophobicContact CG2-CG1 4.16Å; I310-K332 HydrophobicContact CD1-CB 4.41Å; I310-A337 HydrophobicContact CD1-CB 4.02Å; I310-A337 HydrophobicContact CG1-CB 4.22Å; I310-Y338 PolarHBondContact N-O 3.4Å; I310-L339 HydrophobicContact CB-CD1 4.21Å; I310-L339 HydrophobicContact CG2-CD1 4.22Å; I310-Y340 PolarHBondContact O-N 3.1Å
311	L	98.7	Very high	95.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.9	175.3	-54.8	-176.9	0	0	0	109.6	I244 I254 L255 D257 N260 A268 L309 Y340	I244-L311 HydrophobicContact CD1-CD1 4.3Å; I254-L311 HydrophobicContact CG2-CD1 3.49Å; I254-L311 VanDerWaalsContact CG2-CD1 3.49Å; I254-L311 HydrophobicContact CG2-CG 3.75Å; L255-L311 PolarHBondContact O-N 3Å; D257-L311 PolarHBondContact N-O 3.04Å; N260-L311 WeakPolarHBondContact ND2-CB 3.39Å; N260-L311 PolarHBondContact ND2-O 3.49Å; A268-L311 HydrophobicContact CB-CD1 4.22Å; L309-L311 HydrophobicContact CD2-CD2 3.68Å; L309-L311 HydrophobicContact CG-CD2 3.82Å; L311-Y340 HydrophobicContact CD2-CD1 4.24Å; L311-Y340 HydrophobicContact CD2-CD2 4.33Å; L311-Y340 HydrophobicContact CD2-CG 3.76Å
312	V	98.6	Very high	96	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.8	176.8	-67.2	0	0	0	0	111	F278 I310 V323 L339 Y340 L341 D342	F278-V312 HydrophobicContact CZ-CG1 3.9Å; I310-V312 HydrophobicContact CG2-CG1 4.17Å; V312-V323 HydrophobicContact CB-CG2 4.07Å; V312-V323 HydrophobicContact CG1-CG2 4.26Å; V312-V323 HydrophobicContact CG2-CG2 4.24Å; V312-L339 HydrophobicContact CG2-CD1 3.69Å; V312-Y340 PolarHBondContact N-O 3.18Å; V312-Y340 VanDerWaalsContact N-O 3.15Å; V312-L341 HydrophobicContact CG2-CD1 3.85Å; V312-D342 PolarHBondContact O-N 3.15Å
313	E	98.4	Very high	96.2	Very high	4 Å²	4	31 Å²	31	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.3	169	-72.3	177.4	-121.7	0	0	110.9	N260 H261 L264 Y316 V323 D342	N260-E313 WeakPolarHBondContact CA-OE1 3.35Å; H261-E313 WeakPolarHBondContact CA-OE1 3.47Å; H261-E313 VanDerWaalsContact CB-OE1 3.31Å; H261-E313 WeakPolarHBondContact CB-OE1 3.48Å; H261-E313 PolarHBondContact N-OE1 3.29Å; L264-E313 HydrophobicContact CD1-CG 3.89Å; E313-Y316 HydrophobicContact CB-CD1 3.97Å; E313-Y316 HydrophobicContact CB-CE1 3.97Å; E313-Y316 HydrophobicContact CB-CG 4.3Å; E313-Y316 HydrophobicContact CG-CD1 4.49Å; E313-V323 WeakPolarHBondContact O-CB 3.47Å; E313-V323 WeakPolarHBondContact O-CG1 3.17Å; E313-D342 CarbonylContact C-O 3.55Å; E313-D342 WeakPolarHBondContact CA-O 3.33Å; E313-D342 HydrophobicContact CG-CB 4.03Å
314	G	97.6	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-65.2	-58.7	172.6	0	0	0	0	0	111.7	I322 V323 D342	G314-I322 WeakPolarHBondContact O-CA 3.17Å; G314-V323 PolarHBondContact O-N 3.06Å; G314-D342 PolarHBondContact N-O 2.71Å
315	I	97.6	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-115.5	128.4	166	-72.9	162.8	0	0	0	109	S317 S321 I322 H345 L350 P465 V466	I315-S317 PolarHBondContact O-N 2.76Å; I315-S321 WeakPolarHBondContact CA-O 3.19Å; I315-I322 HydrophobicContact CG1-CG1 3.89Å; I315-H345 HydrophobicContact CB-CB 3.67Å; I315-H345 WeakPolarHBondContact CD1-O 3.49Å; I315-H345 HydrophobicContact CG2-CB 3.89Å; I315-L350 HydrophobicContact CD1-CD1 3.43Å; I315-L350 VanDerWaalsContact CD1-CD1 3.43Å; I315-L350 HydrophobicContact CD1-CD2 4.24Å; I315-L350 HydrophobicContact CD1-CG 3.65Å; I315-L350 HydrophobicContact CG1-CD1 3.66Å; I315-L350 HydrophobicContact CG1-CG 4.43Å; I315-P465 HydrophobicContact CD1-CG 4.5Å; I315-V466 HydrophobicContact CG2-CG2 4.27Å
316	Y	95.9	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.094	C	C	.	.			trans	-79	121.5	175.6	-64.3	-94.2	0	0	0	111	D257 L259 H280 E313 M318 E319 G320 S321 V323	D257-Y316 HydrophobicContact CB-CE1 4.08Å; D257-Y316 PolarHBondContact OD2-OH 3.49Å; L259-Y316 HydrophobicContact CB-CD1 4.17Å; H280-Y316 AromaticContact CE1-CD1 3.6Å; H280-Y316 AromaticContact CE1-CD2 3.41Å; H280-Y316 VanDerWaalsContact CE1-CD2 3.41Å; H280-Y316 WeakPolarHBondContact CE1-CD2 3.21Å; H280-Y316 AromaticContact CE1-CE1 3.68Å; H280-Y316 AromaticContact CE1-CE2 3.49Å; H280-Y316 VanDerWaalsContact CE1-CE2 3.49Å; H280-Y316 WeakPolarHBondContact CE1-CE2 3.26Å; H280-Y316 AromaticContact CE1-CG 3.45Å; H280-Y316 VanDerWaalsContact CE1-CG 3.45Å; H280-Y316 AromaticContact CE1-CZ 3.63Å; H280-Y316 AromaticContact ND1-CE1 3.86Å; H280-Y316 AromaticContact ND1-CZ 3.97Å; E313-Y316 HydrophobicContact CB-CD1 3.97Å; E313-Y316 HydrophobicContact CB-CE1 3.97Å; E313-Y316 HydrophobicContact CB-CG 4.3Å; E313-Y316 HydrophobicContact CG-CD1 4.49Å; Y316-M318 VanDerWaalsContact C-N 3.32Å; Y316-M318 PolarHBondContact O-N 3.06Å; Y316-E319 PolarHBondContact O-N 2.99Å; Y316-G320 WeakPolarHBondContact O-CA 3.48Å; Y316-G320 PolarHBondContact O-N 2.92Å; Y316-S321 VanDerWaalsContact CD2-OG 3.26Å; Y316-S321 WeakPolarHBondContact CD2-OG 3.22Å; Y316-S321 PolarHBondContact N-O 3.19Å; Y316-V323 HydrophobicContact CE2-CB 4.12Å
317	S	91.4	Very high	96.2	Very high	9 Å²	9	15.5 Å²	15.5	6%	0.063	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.9	-165.5	66.6	0	0	0	0	116.9	I315 H345 R507	I315-S317 PolarHBondContact O-N 2.76Å; S317-H345 VanDerWaalsContact CB-CD2 3.45Å; S317-H345 WeakPolarHBondContact CB-CD2 3.33Å; S317-H345 WeakPolarHBondContact CB-NE2 3.42Å; S317-R507 WeakPolarHBondContact O-CD 3.45Å
318	M	91.3	Very high	96.2	Very high	41 Å²	41	11.6 Å²	11.6	20%	0.202	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-34.1	-179.6	-61.8	-58.7	118.3	0	0	112.5	Y316 P468 V494 R505 R507	Y316-M318 VanDerWaalsContact C-N 3.32Å; Y316-M318 PolarHBondContact O-N 3.06Å; M318-P468 WeakPolarHBondContact O-CG 3.37Å; M318-V494 HydrophobicContact SD-CG1 4.46Å; M318-R505 VanDerWaalsContact C-NH1 3.29Å; M318-R505 PolarHBondContact O-NH1 3.42Å; M318-R507 PolarHBondContact SD-NH1 2.79Å
319	E	89.7	Confident	96.2	Very high	19 Å²	19	11.3 Å²	11.3	9%	0.089	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-28.1	-174.6	-70.1	58.8	-125.2	0	0	111.6	L259 Y316 S321 Y459 G460 P468 R505	L259-E319 VanDerWaalsContact CD1-CD 3.45Å; L259-E319 HydrophobicContact CD1-CG 3.58Å; Y316-E319 PolarHBondContact O-N 2.99Å; E319-S321 PolarHBondContact O-N 2.77Å; E319-Y459 CarbonylContact O-C 3.55Å; E319-G460 WeakPolarHBondContact O-CA 3.27Å; E319-G460 PolarHBondContact O-N 2.94Å; E319-P468 WeakPolarHBondContact O-CG 3.45Å; E319-R505 IonicContact OE1-CZ 3.23Å; E319-R505 IonicContact OE1-NH1 3.39Å; E319-R505 PolarHBondContact OE1-NH1 3.11Å; E319-R505 IonicContact OE1-NH2 2.74Å
320	G	93.3	Very high	96.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.			trans	67.9	13.3	-171.3	0	0	0	0	0	113.3	Y316 G460 N461 S464	Y316-G320 WeakPolarHBondContact O-CA 3.48Å; Y316-G320 PolarHBondContact O-N 2.92Å; G320-G460 CarbonylContact O-C 3.42Å; G320-G460 VanDerWaalsContact O-CA 3.27Å; G320-G460 WeakPolarHBondContact O-CA 3.48Å; G320-N461 PolarHBondContact O-N 3.29Å; G320-S464 WeakPolarHBondContact O-CB 3.32Å; G320-S464 PolarHBondContact O-OG 2.77Å
321	S	94	Very high	96.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.			trans	-69.1	152.9	172.4	48.7	0	0	0	0	110.6	H280 I315 Y316 E319	H280-S321 PolarHBondContact CE1-OG 2.83Å; H280-S321 VanDerWaalsContact CE1-OG 3.32Å; H280-S321 PolarHBondContact NE2-OG 3.49Å; I315-S321 WeakPolarHBondContact CA-O 3.19Å; Y316-S321 VanDerWaalsContact CD2-OG 3.26Å; Y316-S321 WeakPolarHBondContact CD2-OG 3.22Å; Y316-S321 PolarHBondContact N-O 3.19Å; E319-S321 PolarHBondContact O-N 2.77Å
322	I	96.1	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-105.4	136	173.3	-67	175.5	0	0	0	107.8	F57 E59 N281 G314 I315 L350 V357 Y360 F361 N461 D463	F57-I322 HydrophobicContact CZ-CB 4.33Å; F57-I322 WeakPolarHBondContact CZ-O 3.4Å; E59-I322 PolarHBondContact OE1-N 3.07Å; N281-I322 PolarHBondContact ND2-O 2.71Å; G314-I322 WeakPolarHBondContact O-CA 3.17Å; I315-I322 HydrophobicContact CG1-CG1 3.89Å; I322-L350 HydrophobicContact CD1-CD1 3.62Å; I322-L350 HydrophobicContact CD1-CD2 4.14Å; I322-L350 HydrophobicContact CG1-CD1 4.01Å; I322-V357 HydrophobicContact CG2-CG1 3.89Å; I322-Y360 HydrophobicContact CD1-CE1 4.47Å; I322-F361 HydrophobicContact CG2-CE2 3.98Å; I322-F361 HydrophobicContact CG2-CZ 4.03Å; I322-N461 HydrophobicContact CB-CB 4.22Å; I322-N461 HydrophobicContact CD1-CB 3.73Å; I322-N461 HydrophobicContact CG1-CB 3.74Å; I322-D463 HydrophobicContact CD1-CB 4.42Å
323	V	96.4	Very high	96.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.			trans	-63	141.2	176.3	59.7	0	0	0	0	111.6	V312 E313 G314 Y316 L325 V328 L341 V357 F361	V312-V323 HydrophobicContact CB-CG2 4.07Å; V312-V323 HydrophobicContact CG1-CG2 4.26Å; V312-V323 HydrophobicContact CG2-CG2 4.24Å; E313-V323 WeakPolarHBondContact O-CB 3.47Å; E313-V323 WeakPolarHBondContact O-CG1 3.17Å; G314-V323 PolarHBondContact O-N 3.06Å; Y316-V323 HydrophobicContact CE2-CB 4.12Å; V323-L325 HydrophobicContact CG1-CB 4.09Å; V323-L325 PolarHBondContact O-N 3.38Å; V323-V328 HydrophobicContact CG2-CG2 4.06Å; V323-L341 HydrophobicContact CG1-CD1 4.29Å; V323-V357 HydrophobicContact CG1-CG2 4.16Å; V323-F361 WeakPolarHBondContact O-CE2 3.39Å
324	R	95.3	Very high	96.1	Very high	76 Å²	76	26.4 Å²	26.4	29%	0.287	13%	0.129	S	C	.	.			trans	-71.7	61.3	167.1	-72.4	-177.7	71	173	7.5	111.6	F57 N281 M283 P326 E327 V328	F57-R324 HydrophobicContact CD1-CG 3.86Å; F57-R324 HydrophobicContact CE1-CG 3.49Å; F57-R324 VanDerWaalsContact CE1-CG 3.49Å; F57-R324 HydrophobicContact CZ-CG 4.08Å; N281-R324 WeakPolarHBondContact OD1-CB 3.21Å; N281-R324 WeakPolarHBondContact OD1-CG 3.45Å; N281-R324 PolarHBondContact OD1-N 2.49Å; M283-R324 HydrophobicContact CE-CB 4.4Å; R324-P326 VanDerWaalsContact C-CD 3.47Å; R324-E327 VanDerWaalsContact CB-OE2 3.31Å; R324-E327 WeakPolarHBondContact CB-OE2 3.31Å; R324-E327 IonicContact CZ-OE1 3.24Å; R324-E327 VanDerWaalsContact CZ-OE1 3.24Å; R324-E327 IonicContact NE-OE1 3.69Å; R324-E327 PolarHBondContact NE-OE1 3.03Å; R324-E327 IonicContact NE-OE2 2.77Å; R324-E327 IonicContact NH2-OE1 2.69Å; R324-E327 PolarHBondContact NH2-OE1 2.91Å; R324-E327 PolarHBondContact O-N 2.77Å; R324-V328 WeakPolarHBondContact O-CG2 3.03Å; R324-V328 PolarHBondContact O-N 3.17Å
325	L	97.2	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.3	-42.5	-171.5	-173.4	58.2	0	0	0	113.4	V323 E327 V328 I329 L339 L341 V357 V358 F361 L363	V323-L325 HydrophobicContact CG1-CB 4.09Å; V323-L325 PolarHBondContact O-N 3.38Å; L325-E327 VanDerWaalsContact C-N 3.31Å; L325-E327 PolarHBondContact O-N 3.13Å; L325-V328 PolarHBondContact O-N 3.24Å; L325-I329 HydrophobicContact CD1-CD1 4.04Å; L325-I329 HydrophobicContact CD1-CG1 4.09Å; L325-I329 HydrophobicContact CD2-CD1 4.44Å; L325-I329 HydrophobicContact CG-CD1 3.82Å; L325-I329 HydrophobicContact CG-CG1 4.33Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.47Å; L325-L339 HydrophobicContact CD1-CD2 3.85Å; L325-L341 HydrophobicContact CD1-CD1 4.39Å; L325-L341 HydrophobicContact CD1-CD2 4.3Å; L325-L341 HydrophobicContact CD2-CD2 3.94Å; L325-V357 HydrophobicContact CD2-CB 4.38Å; L325-V357 HydrophobicContact CD2-CG2 3.75Å; L325-V358 HydrophobicContact CD2-CG2 3.92Å; L325-F361 HydrophobicContact CB-CD2 3.99Å; L325-F361 HydrophobicContact CB-CE2 4.08Å; L325-L363 HydrophobicContact CB-CD1 4.08Å; L325-L363 HydrophobicContact CD2-CD1 3.66Å; L325-L363 HydrophobicContact CG-CD1 3.68Å
326	P	96.6	Very high	96.1	Very high	23 Å²	23	37 Å²	37	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-43.5	177.4	-24.5	34.2	0	0	0	112.7	Y53 R324 I329 A330 F361 L363	Y53-P326 HydrophobicContact CE2-CB 4.47Å; R324-P326 VanDerWaalsContact C-CD 3.47Å; P326-I329 PolarHBondContact O-N 2.74Å; P326-A330 WeakPolarHBondContact O-CB 3.13Å; P326-A330 PolarHBondContact O-N 2.78Å; P326-F361 HydrophobicContact CG-CB 4.23Å; P326-F361 HydrophobicContact CG-CD1 3.97Å; P326-F361 HydrophobicContact CG-CD2 4.38Å; P326-F361 HydrophobicContact CG-CE1 4.41Å; P326-F361 HydrophobicContact CG-CG 3.95Å; P326-L363 HydrophobicContact CB-CD2 4.49Å; P326-L363 HydrophobicContact CG-CD1 4.16Å; P326-L363 HydrophobicContact CG-CD2 4.36Å
327	E	97.1	Very high	96.2	Very high	51 Å²	51	37.3 Å²	37.3	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-71	-37.6	178.5	-62.5	95.5	147	0	0	112.5	M283 R324 L325 I329 A330 L331	M283-E327 HydrophobicContact CG-CB 3.65Å; M283-E327 HydrophobicContact CG-CG 4.39Å; M283-E327 HydrophobicContact SD-CB 3.85Å; R324-E327 VanDerWaalsContact CB-OE2 3.31Å; R324-E327 WeakPolarHBondContact CB-OE2 3.31Å; R324-E327 IonicContact CZ-OE1 3.24Å; R324-E327 VanDerWaalsContact CZ-OE1 3.24Å; R324-E327 IonicContact NE-OE1 3.69Å; R324-E327 PolarHBondContact NE-OE1 3.03Å; R324-E327 IonicContact NE-OE2 2.77Å; R324-E327 IonicContact NH2-OE1 2.69Å; R324-E327 PolarHBondContact NH2-OE1 2.91Å; R324-E327 PolarHBondContact O-N 2.77Å; L325-E327 VanDerWaalsContact C-N 3.31Å; L325-E327 PolarHBondContact O-N 3.13Å; E327-I329 VanDerWaalsContact C-N 3.33Å; E327-I329 PolarHBondContact O-N 2.81Å; E327-A330 PolarHBondContact O-N 2.83Å; E327-L331 WeakPolarHBondContact O-CG 2.89Å; E327-L331 PolarHBondContact O-N 2.95Å
328	V	98.4	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-44.7	173.4	174.1	0	0	0	0	110.5	M283 L286 I310 V323 R324 L325 L331 K332 L339	M283-V328 HydrophobicContact CE-CG2 3.7Å; M283-V328 HydrophobicContact SD-CG2 3.61Å; L286-V328 HydrophobicContact CD2-CG2 4.23Å; I310-V328 HydrophobicContact CG2-CG1 4.16Å; V323-V328 HydrophobicContact CG2-CG2 4.06Å; R324-V328 WeakPolarHBondContact O-CG2 3.03Å; R324-V328 PolarHBondContact O-N 3.17Å; L325-V328 PolarHBondContact O-N 3.24Å; V328-L331 PolarHBondContact O-N 3.44Å; V328-K332 WeakPolarHBondContact O-CB 3.28Å; V328-K332 PolarHBondContact O-N 3.37Å; V328-L339 HydrophobicContact CG1-CD1 3.63Å; V328-L339 HydrophobicContact CG1-CD2 4.23Å
329	I	98.6	Very high	96.9	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-42.6	176.5	-71.4	169	0	0	0	111	L325 P326 E327 L331 K332 K333 L339 L363 D367 V368	L325-I329 HydrophobicContact CD1-CD1 4.04Å; L325-I329 HydrophobicContact CD1-CG1 4.09Å; L325-I329 HydrophobicContact CD2-CD1 4.44Å; L325-I329 HydrophobicContact CG-CD1 3.82Å; L325-I329 HydrophobicContact CG-CG1 4.33Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.47Å; P326-I329 PolarHBondContact O-N 2.74Å; E327-I329 VanDerWaalsContact C-N 3.33Å; E327-I329 PolarHBondContact O-N 2.81Å; I329-L331 VanDerWaalsContact C-N 3.31Å; I329-L331 PolarHBondContact O-N 3.09Å; I329-K332 WeakPolarHBondContact O-CB 3.1Å; I329-K332 PolarHBondContact O-N 2.89Å; I329-K333 HydrophobicContact CG2-CD 4.17Å; I329-K333 HydrophobicContact CG2-CG 4.43Å; I329-K333 WeakPolarHBondContact O-CG 2.97Å; I329-K333 PolarHBondContact O-N 3.46Å; I329-L339 HydrophobicContact CG1-CD2 3.98Å; I329-L363 HydrophobicContact CD1-CD1 3.86Å; I329-D367 HydrophobicContact CD1-CB 3.92Å; I329-D367 HydrophobicContact CG1-CB 4.35Å; I329-D367 HydrophobicContact CG2-CB 3.82Å; I329-V368 HydrophobicContact CD1-CG2 4.5Å
330	A	98.2	Very high	97.3	Very high	54 Å²	54	39.2 Å²	39.2	45%	0.446	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-43.8	176.4	0	0	0	0	0	111.6	P326 E327 K334	P326-A330 WeakPolarHBondContact O-CB 3.13Å; P326-A330 PolarHBondContact O-N 2.78Å; E327-A330 PolarHBondContact O-N 2.83Å; A330-K334 VanDerWaalsContact O-CB 3.3Å; A330-K334 WeakPolarHBondContact O-CB 3.45Å; A330-K334 PolarHBondContact O-N 3.01Å
331	L	98.4	Very high	97.6	Very high	18 Å²	18	39.2 Å²	39.2	9%	0.094	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-43	175.4	-69	176.4	0	0	0	112.1	M283 L286 E287 L290 E327 V328 I329 K333 K334 Y335	M283-L331 HydrophobicContact CB-CD1 4.25Å; M283-L331 HydrophobicContact SD-CD1 4.11Å; L286-L331 HydrophobicContact CB-CD1 4.32Å; L286-L331 HydrophobicContact CD2-CD1 3.9Å; L286-L331 HydrophobicContact CG-CD1 4.01Å; E287-L331 HydrophobicContact CB-CD1 4.14Å; E287-L331 HydrophobicContact CB-CD2 3.77Å; E287-L331 HydrophobicContact CG-CD2 3.72Å; L290-L331 HydrophobicContact CD1-CB 3.96Å; E327-L331 WeakPolarHBondContact O-CG 2.89Å; E327-L331 PolarHBondContact O-N 2.95Å; V328-L331 PolarHBondContact O-N 3.44Å; I329-L331 VanDerWaalsContact C-N 3.31Å; I329-L331 PolarHBondContact O-N 3.09Å; L331-K333 VanDerWaalsContact C-N 3.34Å; L331-K333 PolarHBondContact O-N 3.23Å; L331-K334 PolarHBondContact O-N 3.43Å; L331-Y335 HydrophobicContact CD2-CD2 4.37Å; L331-Y335 HydrophobicContact CD2-CE2 3.86Å; L331-Y335 VanDerWaalsContact O-CD2 3.3Å; L331-Y335 WeakPolarHBondContact O-CD2 3.4Å; L331-Y335 PolarHBondContact O-N 2.92Å
332	K	97.9	Very high	97.8	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.078	18%	0.182	C	C	.	.	H	α-helix	trans	-51.4	-53.8	173.6	174.6	-153	158.8	169.2	0	110.4	I310 V328 I329 Y335 K336 A337 L339 D367 D369	I310-K332 HydrophobicContact CD1-CB 4.41Å; V328-K332 WeakPolarHBondContact O-CB 3.28Å; V328-K332 PolarHBondContact O-N 3.37Å; I329-K332 WeakPolarHBondContact O-CB 3.1Å; I329-K332 PolarHBondContact O-N 2.89Å; K332-Y335 PolarHBondContact O-N 3.34Å; K332-K336 WeakPolarHBondContact O-CA 3.38Å; K332-K336 PolarHBondContact O-N 3.31Å; K332-A337 WeakPolarHBondContact CG-O 3.4Å; K332-A337 PolarHBondContact O-N 2.91Å; K332-L339 HydrophobicContact CD-CB 3.86Å; K332-L339 HydrophobicContact CG-CB 4.38Å; K332-D367 PolarHBondContact NZ-O 3.45Å; K332-D369 WeakPolarHBondContact CE-OD2 3.37Å; K332-D369 IonicContact NZ-OD1 3.96Å; K332-D369 PolarHBondContact NZ-OD1 3.11Å; K332-D369 IonicContact NZ-OD2 2.66Å; K332-D369 PolarHBondContact NZ-OD2 3.47Å
333	K	98.1	Very high	97.9	Very high	111 Å²	111	39.4 Å²	39.4	48%	0.483	18%	0.182	S	C	.	.	H	α-helix	trans	-61.9	-46.7	-179.9	-70.6	-179.3	179.9	-179.6	0	111.7	I329 L331 Y335 K336 D367	I329-K333 HydrophobicContact CG2-CD 4.17Å; I329-K333 HydrophobicContact CG2-CG 4.43Å; I329-K333 WeakPolarHBondContact O-CG 2.97Å; I329-K333 PolarHBondContact O-N 3.46Å; L331-K333 VanDerWaalsContact C-N 3.34Å; L331-K333 PolarHBondContact O-N 3.23Å; K333-Y335 PolarHBondContact O-N 3.07Å; K333-K336 PolarHBondContact O-N 2.8Å; K333-D367 WeakPolarHBondContact CE-OD1 3.49Å; K333-D367 WeakPolarHBondContact CE-OD2 3.33Å; K333-D367 IonicContact NZ-OD1 2.71Å; K333-D367 PolarHBondContact NZ-OD1 3.49Å; K333-D367 IonicContact NZ-OD2 2.7Å; K333-D367 PolarHBondContact NZ-OD2 3.35Å
334	K	98.1	Very high	97.9	Very high	127 Å²	127	39.8 Å²	39.8	55%	0.552	19%	0.185	S	C	*	.	H	α-helix	trans	-59.2	-42.7	-179.3	-178.6	175.7	177.4	-177.4	0	113	E287 A330 L331	E287-K334 IonicContact OE1-NZ 2.76Å; E287-K334 PolarHBondContact OE1-NZ 3.41Å; A330-K334 VanDerWaalsContact O-CB 3.3Å; A330-K334 WeakPolarHBondContact O-CB 3.45Å; A330-K334 PolarHBondContact O-N 3.01Å; L331-K334 PolarHBondContact O-N 3.43Å
335	Y	97.8	Very high	98	Very high	34 Å²	34	36.6 Å²	36.6	13%	0.133	17%	0.173	C	C	.	.	H	α-helix	trans	-101.8	4.8	-175.8	-63.9	-78.3	0	0	0	114.1	E287 L290 K291 I294 L331 K332 K333 A337	E287-Y335 HydrophobicContact CG-CE2 3.76Å; E287-Y335 WeakPolarHBondContact CG-OH 3.18Å; E287-Y335 PolarHBondContact OE1-OH 3Å; L290-Y335 HydrophobicContact CB-CD1 4.26Å; L290-Y335 HydrophobicContact CB-CD2 3.9Å; L290-Y335 HydrophobicContact CB-CE2 4.34Å; L290-Y335 HydrophobicContact CB-CG 3.88Å; L290-Y335 HydrophobicContact CD1-CD2 3.78Å; L290-Y335 HydrophobicContact CD1-CE2 4.45Å; L290-Y335 HydrophobicContact CD1-CG 4.33Å; L290-Y335 HydrophobicContact CG-CD2 4.37Å; K291-Y335 WeakPolarHBondContact CE-OH 3.24Å; K291-Y335 HydrophobicContact CG-CE1 3.77Å; K291-Y335 WeakPolarHBondContact CG-OH 3.43Å; I294-Y335 HydrophobicContact CG1-CD1 4.25Å; L331-Y335 HydrophobicContact CD2-CD2 4.37Å; L331-Y335 HydrophobicContact CD2-CE2 3.86Å; L331-Y335 VanDerWaalsContact O-CD2 3.3Å; L331-Y335 WeakPolarHBondContact O-CD2 3.4Å; L331-Y335 PolarHBondContact O-N 2.92Å; K332-Y335 PolarHBondContact O-N 3.34Å; K333-Y335 PolarHBondContact O-N 3.07Å; Y335-A337 PolarHBondContact O-N 3.06Å
336	K	97.4	Very high	98.1	Very high	190 Å²	190	36.6 Å²	36.6	83%	0.826	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	42.2	-177.9	-55.1	-176.8	179.9	-176.4	0	112.6	K332 K333	K332-K336 WeakPolarHBondContact O-CA 3.38Å; K332-K336 PolarHBondContact O-N 3.31Å; K333-K336 PolarHBondContact O-N 2.8Å
337	A	98.4	Very high	98.1	Very high	6 Å²	6	35.5 Å²	35.5	5%	0.05	17%	0.166	C	C	.	.			trans	-88.1	169	173.1	0	0	0	0	0	110.7	L290 I308 I310 K332 Y335	L290-A337 HydrophobicContact CD2-CB 4.1Å; I308-A337 HydrophobicContact CB-CB 4.23Å; I308-A337 HydrophobicContact CG2-CB 4.21Å; I310-A337 HydrophobicContact CD1-CB 4.02Å; I310-A337 HydrophobicContact CG1-CB 4.22Å; K332-A337 WeakPolarHBondContact CG-O 3.4Å; K332-A337 PolarHBondContact O-N 2.91Å; Y335-A337 PolarHBondContact O-N 3.06Å
338	Y	98.7	Very high	98	Very high	109 Å²	109	33 Å²	33	43%	0.427	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	153.1	168.9	-64.1	-83.5	0	0	0	110.1	K307 I308 I310 D369	K307-Y338 HydrophobicContact CB-CD2 4.26Å; K307-Y338 HydrophobicContact CB-CE2 4.26Å; K307-Y338 HydrophobicContact CD-CE2 4.26Å; K307-Y338 HydrophobicContact CG-CD2 4.43Å; K307-Y338 HydrophobicContact CG-CE2 4.01Å; I308-Y338 PolarHBondContact O-N 3.1Å; I310-Y338 PolarHBondContact N-O 3.4Å; Y338-D369 VanDerWaalsContact CA-OD2 3.27Å; Y338-D369 WeakPolarHBondContact CA-OD2 3.49Å; Y338-D369 HydrophobicContact CD1-CB 4.17Å
339	L	98.9	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.4	178.5	177.6	60.8	0	0	0	110.6	I310 V312 L325 V328 I329 K332 V368 D369 V370	I310-L339 HydrophobicContact CB-CD1 4.21Å; I310-L339 HydrophobicContact CG2-CD1 4.22Å; V312-L339 HydrophobicContact CG2-CD1 3.69Å; L325-L339 HydrophobicContact CD1-CD2 3.85Å; V328-L339 HydrophobicContact CG1-CD1 3.63Å; V328-L339 HydrophobicContact CG1-CD2 4.23Å; I329-L339 HydrophobicContact CG1-CD2 3.98Å; K332-L339 HydrophobicContact CD-CB 3.86Å; K332-L339 HydrophobicContact CG-CB 4.38Å; L339-V368 HydrophobicContact CD2-CG1 4.34Å; L339-V368 HydrophobicContact CD2-CG2 4.19Å; L339-V368 HydrophobicContact CG-CG1 4.4Å; L339-D369 PolarHBondContact N-OD2 2.77Å; L339-D369 PolarHBondContact O-N 3.31Å; L339-V370 PolarHBondContact O-N 3.27Å
340	Y	98.8	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.5	166.5	-165.6	-70.6	0	0	0	108	N240 I244 L247 L264 I310 L311 V312 V370 M372	N240-Y340 WeakPolarHBondContact OD1-CE1 3.43Å; N240-Y340 PolarHBondContact OD1-OH 2.98Å; N240-Y340 VanDerWaalsContact OD1-OH 3.05Å; I244-Y340 HydrophobicContact CG1-CD2 4.48Å; I244-Y340 HydrophobicContact CG1-CE2 3.97Å; L247-Y340 HydrophobicContact CD1-CD2 3.93Å; L247-Y340 HydrophobicContact CD1-CE2 3.85Å; L264-Y340 HydrophobicContact CD2-CD1 4.08Å; L264-Y340 HydrophobicContact CD2-CE1 3.88Å; I310-Y340 PolarHBondContact O-N 3.1Å; L311-Y340 HydrophobicContact CD2-CD1 4.24Å; L311-Y340 HydrophobicContact CD2-CD2 4.33Å; L311-Y340 HydrophobicContact CD2-CG 3.76Å; V312-Y340 PolarHBondContact N-O 3.18Å; V312-Y340 VanDerWaalsContact N-O 3.15Å; Y340-V370 HydrophobicContact CD2-CB 3.69Å; Y340-V370 HydrophobicContact CD2-CG1 3.56Å; Y340-V370 HydrophobicContact CD2-CG2 4.09Å; Y340-V370 HydrophobicContact CE2-CB 4.17Å; Y340-V370 HydrophobicContact CE2-CG1 3.49Å; Y340-V370 VanDerWaalsContact CE2-CG1 3.49Å; Y340-V370 HydrophobicContact CG-CB 4.12Å; Y340-V370 HydrophobicContact CG-CG1 4.27Å; Y340-M372 HydrophobicContact CD1-CB 4.48Å; Y340-M372 HydrophobicContact CE1-CB 3.55Å; Y340-M372 HydrophobicContact CE1-CG 4.07Å; Y340-M372 WeakPolarHBondContact OH-CG 3.2Å
341	L	98.8	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.5	-179.4	178	63.4	0	0	0	109.4	V312 V323 L325 E343 V357 V358 V368 V370 M372	V312-L341 HydrophobicContact CG2-CD1 3.85Å; V323-L341 HydrophobicContact CG1-CD1 4.29Å; L325-L341 HydrophobicContact CD1-CD1 4.39Å; L325-L341 HydrophobicContact CD1-CD2 4.3Å; L325-L341 HydrophobicContact CD2-CD2 3.94Å; L341-E343 HydrophobicContact CD2-CG 3.99Å; L341-E343 WeakPolarHBondContact CD2-OE1 3.44Å; L341-E343 HydrophobicContact CG-CG 4.01Å; L341-V357 HydrophobicContact CD1-CG2 4.05Å; L341-V357 HydrophobicContact CD2-CG2 3.91Å; L341-V357 HydrophobicContact CG-CG2 4.47Å; L341-V358 HydrophobicContact CD2-CG2 3.91Å; L341-V368 HydrophobicContact CB-CG1 3.64Å; L341-V368 HydrophobicContact CD2-CG1 4.14Å; L341-V368 HydrophobicContact CD2-CG2 4.15Å; L341-V370 PolarHBondContact N-O 3.41Å; L341-M372 PolarHBondContact O-N 2.88Å
342	D	98.6	Very high	97.3	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	99.5	172.8	-175.4	-18.8	0	0	0	110	N240 L264 V312 E313 G314 A344 M372	N240-D342 PolarHBondContact ND2-OD2 2.86Å; L264-D342 HydrophobicContact CD1-CB 4.15Å; L264-D342 HydrophobicContact CD2-CB 4.5Å; V312-D342 PolarHBondContact O-N 3.15Å; E313-D342 CarbonylContact C-O 3.55Å; E313-D342 WeakPolarHBondContact CA-O 3.33Å; E313-D342 HydrophobicContact CG-CB 4.03Å; G314-D342 PolarHBondContact N-O 2.71Å; D342-A344 PolarHBondContact O-N 2.88Å; D342-A344 WeakPolarHBondContact OD1-CB 3.32Å; D342-A344 PolarHBondContact OD1-N 2.97Å; D342-M372 HydrophobicContact CB-CE 4.24Å; D342-M372 VanDerWaalsContact OD1-CE 3.32Å; D342-M372 WeakPolarHBondContact OD1-CE 3.42Å; D342-M372 WeakPolarHBondContact OD2-CE 3.39Å
343	E	97.7	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.			trans	-83.2	15	178.2	-70.2	-82.7	-167.3	0	0	112.6	L341 H345 S346 I347 G356 V357 V358 M372	L341-E343 HydrophobicContact CD2-CG 3.99Å; L341-E343 WeakPolarHBondContact CD2-OE1 3.44Å; L341-E343 HydrophobicContact CG-CG 4.01Å; E343-H345 PolarHBondContact O-N 3.32Å; E343-S346 WeakPolarHBondContact CA-OG 3.32Å; E343-S346 PolarHBondContact O-N 3.49Å; E343-S346 PolarHBondContact O-OG 3.01Å; E343-S346 WeakPolarHBondContact OE2-CB 2.97Å; E343-S346 PolarHBondContact OE2-OG 2.7Å; E343-I347 HydrophobicContact CB-CB 4.12Å; E343-I347 WeakPolarHBondContact O-CB 3.37Å; E343-I347 VanDerWaalsContact O-CG2 3.28Å; E343-I347 WeakPolarHBondContact O-CG2 3.45Å; E343-I347 PolarHBondContact O-N 2.64Å; E343-G356 VanDerWaalsContact OE2-CA 3.31Å; E343-G356 WeakPolarHBondContact OE2-CA 3.46Å; E343-V357 WeakPolarHBondContact OE1-CG2 3.5Å; E343-V357 PolarHBondContact OE1-N 3.08Å; E343-V357 PolarHBondContact OE2-N 3.06Å; E343-V358 PolarHBondContact OE1-N 3.47Å; E343-M372 WeakPolarHBondContact CB-O 3.26Å; E343-M372 PolarHBondContact N-O 2.8Å
344	A	97.3	Very high	97	Very high	8 Å²	8	31.5 Å²	31.5	7%	0.066	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.5	-168.5	0	0	0	0	0	114.7	D342 T374 K377	D342-A344 PolarHBondContact O-N 2.88Å; D342-A344 WeakPolarHBondContact OD1-CB 3.32Å; D342-A344 PolarHBondContact OD1-N 2.97Å; A344-T374 HydrophobicContact CB-CG2 3.67Å; A344-T374 WeakPolarHBondContact O-CG2 3.26Å; A344-K377 VanDerWaalsContact C-NZ 3.35Å; A344-K377 VanDerWaalsContact O-CD 3.25Å; A344-K377 WeakPolarHBondContact O-CD 3.47Å; A344-K377 PolarHBondContact O-NZ 3.19Å
345	H	97.9	Very high	96.9	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.037	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-9.4	176.7	-83.6	-73.6	0	0	0	114.4	Y174 Y176 I315 S317 E343 A349 K377	Y174-H345 AromaticContact CD1-CE1 3.79Å; Y174-H345 AromaticContact CD2-CE1 3.98Å; Y174-H345 AromaticContact CE1-CE1 3.6Å; Y174-H345 AromaticContact CE2-CE1 3.79Å; Y174-H345 AromaticContact CG-CE1 3.98Å; Y174-H345 AromaticContact CZ-CE1 3.59Å; Y176-H345 AromaticContact CE2-ND1 3.86Å; Y176-H345 AromaticContact CZ-ND1 3.77Å; Y176-H345 PolarHBondContact OH-ND1 3.19Å; I315-H345 HydrophobicContact CB-CB 3.67Å; I315-H345 WeakPolarHBondContact CD1-O 3.49Å; I315-H345 HydrophobicContact CG2-CB 3.89Å; S317-H345 VanDerWaalsContact CB-CD2 3.45Å; S317-H345 WeakPolarHBondContact CB-CD2 3.33Å; S317-H345 WeakPolarHBondContact CB-NE2 3.42Å; E343-H345 PolarHBondContact O-N 3.32Å; H345-A349 WeakPolarHBondContact O-CB 3.4Å; H345-K377 PolarHBondContact CD2-NZ 2.87Å; H345-K377 WeakPolarHBondContact CE1-CE 3.22Å; H345-K377 PolarHBondContact CE1-NZ 2.9Å; H345-K377 VanDerWaalsContact CE1-NZ 3.32Å; H345-K377 WeakPolarHBondContact NE2-CE 3.43Å; H345-K377 PolarHBondContact NE2-NZ 3.47Å
346	S	97.5	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-31	-174.2	36.4	0	0	0	0	112.6	E343 G348 A349 L350 G356	E343-S346 WeakPolarHBondContact CA-OG 3.32Å; E343-S346 PolarHBondContact O-N 3.49Å; E343-S346 PolarHBondContact O-OG 3.01Å; E343-S346 WeakPolarHBondContact OE2-CB 2.97Å; E343-S346 PolarHBondContact OE2-OG 2.7Å; S346-G348 PolarHBondContact O-N 2.89Å; S346-A349 WeakPolarHBondContact O-CA 3.23Å; S346-A349 PolarHBondContact O-N 3.24Å; S346-L350 PolarHBondContact O-N 3.38Å; S346-G356 WeakPolarHBondContact O-CA 3.24Å
347	I	97.6	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	126.5	173.2	-160.5	74.9	0	0	0	110.4	F224 L225 E343 A349 R355 S378 F379 Y385	F224-I347 HydrophobicContact CD1-CD1 4.15Å; F224-I347 HydrophobicContact CE1-CD1 3.56Å; F224-I347 HydrophobicContact CE1-CG1 3.88Å; L225-I347 HydrophobicContact CD2-CD1 3.9Å; E343-I347 HydrophobicContact CB-CB 4.12Å; E343-I347 WeakPolarHBondContact O-CB 3.37Å; E343-I347 VanDerWaalsContact O-CG2 3.28Å; E343-I347 WeakPolarHBondContact O-CG2 3.45Å; E343-I347 PolarHBondContact O-N 2.64Å; I347-A349 PolarHBondContact O-N 2.94Å; I347-R355 WeakPolarHBondContact CD1-O 3.28Å; I347-S378 VanDerWaalsContact O-CB 3.27Å; I347-S378 WeakPolarHBondContact O-CB 3.33Å; I347-S378 PolarHBondContact O-OG 3.47Å; I347-F379 HydrophobicContact CG1-CE2 3.92Å; I347-F379 HydrophobicContact CG1-CZ 3.9Å; I347-F379 HydrophobicContact CG2-CE2 3.84Å; I347-Y385 VanDerWaalsContact CD1-OH 3.27Å; I347-Y385 WeakPolarHBondContact CD1-OH 3.3Å; I347-Y385 VanDerWaalsContact CG1-OH 3.23Å; I347-Y385 WeakPolarHBondContact CG1-OH 3.38Å
348	G	95.3	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-12.6	-171.7	0	0	0	0	0	115.1	L177 S346 G354	L177-G348 WeakPolarHBondContact CD1-O 3.25Å; L177-G348 VanDerWaalsContact CD2-O 3.26Å; L177-G348 WeakPolarHBondContact CD2-O 3.47Å; L177-G348 WeakPolarHBondContact CG-O 3.29Å; S346-G348 PolarHBondContact O-N 2.89Å; G348-G354 WeakPolarHBondContact CA-O 3.44Å; G348-G354 PolarHBondContact N-O 2.83Å
349	A	95.3	Very high	96.8	Very high	7 Å²	7	15.4 Å²	15.4	6%	0.058	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-29.9	-174.6	0	0	0	0	0	113.8	Y176 H345 S346 I347 L440 P465	Y176-A349 HydrophobicContact CD2-CB 4.24Å; Y176-A349 HydrophobicContact CG-CB 4.28Å; H345-A349 WeakPolarHBondContact O-CB 3.4Å; S346-A349 WeakPolarHBondContact O-CA 3.23Å; S346-A349 PolarHBondContact O-N 3.24Å; I347-A349 PolarHBondContact O-N 2.94Å; A349-L440 HydrophobicContact CB-CD2 4.14Å; A349-P465 HydrophobicContact CB-CG 3.94Å
350	L	95.4	Very high	96.7	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	-122.6	156.5	-178.4	-67.5	-177.4	0	0	0	111.9	I315 I322 S346 G354 R355 G356 V357 Y360 D463	I315-L350 HydrophobicContact CD1-CD1 3.43Å; I315-L350 VanDerWaalsContact CD1-CD1 3.43Å; I315-L350 HydrophobicContact CD1-CD2 4.24Å; I315-L350 HydrophobicContact CD1-CG 3.65Å; I315-L350 HydrophobicContact CG1-CD1 3.66Å; I315-L350 HydrophobicContact CG1-CG 4.43Å; I322-L350 HydrophobicContact CD1-CD1 3.62Å; I322-L350 HydrophobicContact CD1-CD2 4.14Å; I322-L350 HydrophobicContact CG1-CD1 4.01Å; S346-L350 PolarHBondContact O-N 3.38Å; L350-G354 CarbonylContact O-C 3.55Å; L350-G354 VanDerWaalsContact O-CA 3.3Å; L350-G354 WeakPolarHBondContact O-CA 3.17Å; L350-R355 PolarHBondContact O-N 3.14Å; L350-G356 PolarHBondContact O-N 3.5Å; L350-V357 HydrophobicContact CD1-CG1 3.62Å; L350-Y360 HydrophobicContact CB-CD2 4.41Å; L350-Y360 HydrophobicContact CD2-CD2 4.34Å; L350-D463 HydrophobicContact CD2-CB 4.29Å; L350-D463 VanDerWaalsContact CD2-O 3.27Å; L350-D463 WeakPolarHBondContact CD2-O 3.46Å
351	G	94.3	Very high	96.5	Very high	13 Å²	13	18.5 Å²	18.5	13%	0.134	10%	0.101	C	C	.	.	S	Bend	trans	87.5	151.7	179.7	0	0	0	0	0	113	T353 G354 D359 V437	G351-T353 PolarHBondContact O-N 3.42Å; G351-T353 VanDerWaalsContact O-N 3.15Å; G351-G354 PolarHBondContact O-N 2.84Å; G351-G354 VanDerWaalsContact O-N 3.08Å; G351-D359 VanDerWaalsContact C-OD2 3.25Å; G351-D359 VanDerWaalsContact CA-OD2 3.32Å; G351-D359 WeakPolarHBondContact CA-OD2 3.16Å; G351-V437 WeakPolarHBondContact O-CG1 3.31Å
352	P	93.1	Very high	96.4	Very high	90 Å²	90	21.3 Å²	21.3	58%	0.584	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.3	-178.8	25.8	-35.8	0	0	0	113.6	D359	P352-D359 WeakPolarHBondContact CD-OD1 3.5Å; P352-D359 WeakPolarHBondContact CD-OD2 3.37Å
353	T	94.4	Very high	96.3	Very high	59 Å²	59	23 Å²	23	36%	0.362	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	6.9	178	67.5	0	0	0	0	113	G351 R355 D359	G351-T353 PolarHBondContact O-N 3.42Å; G351-T353 VanDerWaalsContact O-N 3.15Å; T353-R355 VanDerWaalsContact C-N 3.28Å; T353-R355 PolarHBondContact O-N 3.44Å; T353-R355 VanDerWaalsContact OG1-CD 3.29Å; T353-R355 WeakPolarHBondContact OG1-CD 3.45Å; T353-R355 WeakPolarHBondContact OG1-CG 3.16Å; T353-D359 WeakPolarHBondContact CA-OD2 3.19Å; T353-D359 WeakPolarHBondContact CB-OD2 3.41Å; T353-D359 PolarHBondContact N-OD2 2.86Å; T353-D359 PolarHBondContact OG1-OD1 3.49Å; T353-D359 PolarHBondContact OG1-OD2 3.27Å
354	G	95.5	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	69.2	22.2	-179.6	0	0	0	0	0	113.6	F224 G348 L350 G351 G356 D359	F224-G354 WeakPolarHBondContact CZ-O 3.21Å; G348-G354 WeakPolarHBondContact CA-O 3.44Å; G348-G354 PolarHBondContact N-O 2.83Å; L350-G354 CarbonylContact O-C 3.55Å; L350-G354 VanDerWaalsContact O-CA 3.3Å; L350-G354 WeakPolarHBondContact O-CA 3.17Å; G351-G354 PolarHBondContact O-N 2.84Å; G351-G354 VanDerWaalsContact O-N 3.08Å; G354-G356 VanDerWaalsContact C-N 3.33Å; G354-D359 PolarHBondContact N-OD2 2.83Å
355	R	96.3	Very high	96.1	Very high	91 Å²	91	28 Å²	28	34%	0.343	17%	0.166	S	C	.	.			trans	-90.3	8	-176.7	-72.8	174.9	-179.5	165.2	-4.5	114.3	F224 I347 L350 T353 D359	F224-R355 HydrophobicContact CD1-CG 4.43Å; F224-R355 HydrophobicContact CD2-CG 4.36Å; F224-R355 HydrophobicContact CE1-CG 4.06Å; F224-R355 HydrophobicContact CE2-CG 3.98Å; F224-R355 HydrophobicContact CZ-CG 3.83Å; F224-R355 WeakPolarHBondContact O-CD 3.4Å; F224-R355 WeakPolarHBondContact O-CG 3.41Å; F224-R355 PolarHBondContact O-NE 3.28Å; I347-R355 WeakPolarHBondContact CD1-O 3.28Å; L350-R355 PolarHBondContact O-N 3.14Å; T353-R355 VanDerWaalsContact C-N 3.28Å; T353-R355 PolarHBondContact O-N 3.44Å; T353-R355 VanDerWaalsContact OG1-CD 3.29Å; T353-R355 WeakPolarHBondContact OG1-CD 3.45Å; T353-R355 WeakPolarHBondContact OG1-CG 3.16Å; R355-D359 HydrophobicContact CB-CB 3.57Å; R355-D359 PolarHBondContact N-OD2 2.94Å
356	G	97.3	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.			trans	97.7	-161	175.3	0	0	0	0	0	113.7	E343 S346 L350 G354 V358 D359 Y360	E343-G356 VanDerWaalsContact OE2-CA 3.31Å; E343-G356 WeakPolarHBondContact OE2-CA 3.46Å; S346-G356 WeakPolarHBondContact O-CA 3.24Å; L350-G356 PolarHBondContact O-N 3.5Å; G354-G356 VanDerWaalsContact C-N 3.33Å; G356-V358 VanDerWaalsContact C-N 3.29Å; G356-V358 PolarHBondContact O-N 2.86Å; G356-D359 PolarHBondContact O-N 2.87Å; G356-Y360 PolarHBondContact O-N 2.8Å
357	V	97.4	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.8	-27.2	-174	-68	0	0	0	0	112.7	I322 V323 L325 L341 E343 L350 D359 Y360 F361	I322-V357 HydrophobicContact CG2-CG1 3.89Å; V323-V357 HydrophobicContact CG1-CG2 4.16Å; L325-V357 HydrophobicContact CD2-CB 4.38Å; L325-V357 HydrophobicContact CD2-CG2 3.75Å; L341-V357 HydrophobicContact CD1-CG2 4.05Å; L341-V357 HydrophobicContact CD2-CG2 3.91Å; L341-V357 HydrophobicContact CG-CG2 4.47Å; E343-V357 WeakPolarHBondContact OE1-CG2 3.5Å; E343-V357 PolarHBondContact OE1-N 3.08Å; E343-V357 PolarHBondContact OE2-N 3.06Å; L350-V357 HydrophobicContact CD1-CG1 3.62Å; V357-D359 VanDerWaalsContact C-N 3.34Å; V357-D359 PolarHBondContact O-N 3.08Å; V357-Y360 PolarHBondContact O-N 2.79Å; V357-F361 HydrophobicContact CB-CD2 4.43Å; V357-F361 HydrophobicContact CB-CE2 4.43Å; V357-F361 WeakPolarHBondContact O-CD2 3.35Å; V357-F361 PolarHBondContact O-N 2.95Å; V357-F361 VanDerWaalsContact O-N 3.1Å
358	V	97.5	Very high	96	Very high	7 Å²	7	36 Å²	36	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-48.3	172.3	177	0	0	0	0	110.7	L325 L341 E343 G356 G362 L363 P365 V368 M371	L325-V358 HydrophobicContact CD2-CG2 3.92Å; L341-V358 HydrophobicContact CD2-CG2 3.91Å; E343-V358 PolarHBondContact OE1-N 3.47Å; G356-V358 VanDerWaalsContact C-N 3.29Å; G356-V358 PolarHBondContact O-N 2.86Å; V358-G362 PolarHBondContact O-N 3.36Å; V358-G362 VanDerWaalsContact O-N 3.13Å; V358-L363 HydrophobicContact CG1-CB 4.16Å; V358-L363 WeakPolarHBondContact CG1-O 3.43Å; V358-L363 PolarHBondContact O-N 2.98Å; V358-P365 HydrophobicContact CG1-CB 4.42Å; V358-P365 HydrophobicContact CG1-CG 4.05Å; V358-V368 HydrophobicContact CG2-CG2 3.95Å; V358-M371 HydrophobicContact CB-CE 4.37Å; V358-M371 HydrophobicContact CG2-CE 3.73Å
359	D	96.9	Very high	96.1	Very high	31 Å²	31	37.8 Å²	37.8	17%	0.166	21%	0.214	C	C	.	.	H	α-helix	trans	-71.1	-38	177.8	178.1	40.6	0	0	0	112.4	G351 P352 T353 G354 R355 G356 V357 F361 G362	G351-D359 VanDerWaalsContact C-OD2 3.25Å; G351-D359 VanDerWaalsContact CA-OD2 3.32Å; G351-D359 WeakPolarHBondContact CA-OD2 3.16Å; P352-D359 WeakPolarHBondContact CD-OD1 3.5Å; P352-D359 WeakPolarHBondContact CD-OD2 3.37Å; T353-D359 WeakPolarHBondContact CA-OD2 3.19Å; T353-D359 WeakPolarHBondContact CB-OD2 3.41Å; T353-D359 PolarHBondContact N-OD2 2.86Å; T353-D359 PolarHBondContact OG1-OD1 3.49Å; T353-D359 PolarHBondContact OG1-OD2 3.27Å; G354-D359 PolarHBondContact N-OD2 2.83Å; R355-D359 HydrophobicContact CB-CB 3.57Å; R355-D359 PolarHBondContact N-OD2 2.94Å; G356-D359 PolarHBondContact O-N 2.87Å; V357-D359 VanDerWaalsContact C-N 3.34Å; V357-D359 PolarHBondContact O-N 3.08Å; D359-F361 VanDerWaalsContact C-N 3.27Å; D359-F361 PolarHBondContact O-N 3.47Å; D359-G362 PolarHBondContact O-N 3.29Å
360	Y	96.8	Very high	96.3	Very high	29 Å²	29	37.8 Å²	37.8	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-54.1	-42.5	174.5	179.7	-100.6	0	0	0	113.1	I322 L350 G356 V357 D463	I322-Y360 HydrophobicContact CD1-CE1 4.47Å; L350-Y360 HydrophobicContact CB-CD2 4.41Å; L350-Y360 HydrophobicContact CD2-CD2 4.34Å; G356-Y360 PolarHBondContact O-N 2.8Å; V357-Y360 PolarHBondContact O-N 2.79Å; Y360-D463 HydrophobicContact CE2-CB 3.91Å; Y360-D463 WeakPolarHBondContact CE2-OD2 3.4Å; Y360-D463 PolarHBondContact OH-OD2 3.07Å
361	F	95.9	Very high	96.4	Very high	36 Å²	36	37.5 Å²	37.5	16%	0.158	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.1	178.3	-69.2	-65.6	0	0	0	113.9	F57 I322 V323 L325 P326 V357 D359 L363	F57-F361 HydrophobicContact CD2-CE1 4.3Å; F57-F361 HydrophobicContact CD2-CZ 4.35Å; F57-F361 HydrophobicContact CE2-CE1 4.26Å; F57-F361 AromaticContact CE2-CZ 3.87Å; F57-F361 HydrophobicContact CE2-CZ 3.87Å; I322-F361 HydrophobicContact CG2-CE2 3.98Å; I322-F361 HydrophobicContact CG2-CZ 4.03Å; V323-F361 WeakPolarHBondContact O-CE2 3.39Å; L325-F361 HydrophobicContact CB-CD2 3.99Å; L325-F361 HydrophobicContact CB-CE2 4.08Å; P326-F361 HydrophobicContact CG-CB 4.23Å; P326-F361 HydrophobicContact CG-CD1 3.97Å; P326-F361 HydrophobicContact CG-CD2 4.38Å; P326-F361 HydrophobicContact CG-CE1 4.41Å; P326-F361 HydrophobicContact CG-CG 3.95Å; V357-F361 HydrophobicContact CB-CD2 4.43Å; V357-F361 HydrophobicContact CB-CE2 4.43Å; V357-F361 WeakPolarHBondContact O-CD2 3.35Å; V357-F361 PolarHBondContact O-N 2.95Å; V357-F361 VanDerWaalsContact O-N 3.1Å; D359-F361 VanDerWaalsContact C-N 3.27Å; D359-F361 PolarHBondContact O-N 3.47Å; F361-L363 VanDerWaalsContact C-N 3.31Å; F361-L363 HydrophobicContact CB-CD1 3.6Å; F361-L363 HydrophobicContact CB-CD2 4.47Å; F361-L363 HydrophobicContact CB-CG 3.62Å; F361-L363 HydrophobicContact CD2-CD1 4.31Å; F361-L363 HydrophobicContact CG-CD1 4.3Å; F361-L363 PolarHBondContact O-N 3.42Å
362	G	95.8	Very high	96.6	Very high	59 Å²	59	37 Å²	37	61%	0.608	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	36.4	-175.4	0	0	0	0	0	113.2	V358 D359	V358-G362 PolarHBondContact O-N 3.36Å; V358-G362 VanDerWaalsContact O-N 3.13Å; D359-G362 PolarHBondContact O-N 3.29Å
363	L	96.1	Very high	96.8	Very high	38 Å²	38	32.8 Å²	32.8	20%	0.199	18%	0.179	C	C	.	.			trans	-88.8	158.8	-177.7	-63.5	167.5	0	0	0	111.4	L325 P326 I329 V358 F361 P365	L325-L363 HydrophobicContact CB-CD1 4.08Å; L325-L363 HydrophobicContact CD2-CD1 3.66Å; L325-L363 HydrophobicContact CG-CD1 3.68Å; P326-L363 HydrophobicContact CB-CD2 4.49Å; P326-L363 HydrophobicContact CG-CD1 4.16Å; P326-L363 HydrophobicContact CG-CD2 4.36Å; I329-L363 HydrophobicContact CD1-CD1 3.86Å; V358-L363 HydrophobicContact CG1-CB 4.16Å; V358-L363 WeakPolarHBondContact CG1-O 3.43Å; V358-L363 PolarHBondContact O-N 2.98Å; F361-L363 VanDerWaalsContact C-N 3.31Å; F361-L363 HydrophobicContact CB-CD1 3.6Å; F361-L363 HydrophobicContact CB-CD2 4.47Å; F361-L363 HydrophobicContact CB-CG 3.62Å; F361-L363 HydrophobicContact CD2-CD1 4.31Å; F361-L363 HydrophobicContact CG-CD1 4.3Å; F361-L363 PolarHBondContact O-N 3.42Å; L363-P365 WeakPolarHBondContact O-CD 3.48Å
364	D	96.1	Very high	96.9	Very high	84 Å²	84	30.1 Å²	30.1	45%	0.449	16%	0.162	S	C	.	.			trans	-75.2	122.5	172.9	-167.6	-25.1	0	0	0	110.1	E366 D367	D364-E366 PolarHBondContact O-N 3.01Å; D364-E366 WeakPolarHBondContact OD1-CB 3.45Å; D364-E366 PolarHBondContact OD1-N 3.13Å; D364-D367 WeakPolarHBondContact O-CB 3.37Å; D364-D367 PolarHBondContact O-N 2.77Å; D364-D367 VanDerWaalsContact O-N 3.08Å
365	P	96.1	Very high	97.1	Very high	30 Å²	30	30.1 Å²	30.1	20%	0.195	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-55.3	-28.5	174.7	-24.5	34.1	0	0	0	113.9	L225 V227 V358 L363 D367 V368 M371	L225-P365 WeakPolarHBondContact O-CB 3.39Å; L225-P365 WeakPolarHBondContact O-CG 3.42Å; V227-P365 HydrophobicContact CG1-CB 4.16Å; V358-P365 HydrophobicContact CG1-CB 4.42Å; V358-P365 HydrophobicContact CG1-CG 4.05Å; L363-P365 WeakPolarHBondContact O-CD 3.48Å; P365-D367 PolarHBondContact O-N 2.66Å; P365-V368 PolarHBondContact O-N 2.97Å; P365-V368 VanDerWaalsContact O-N 3.1Å; P365-M371 HydrophobicContact CB-SD 4.33Å
366	E	94.6	Very high	97.1	Very high	136 Å²	136	29.1 Å²	29.1	64%	0.636	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-64.4	-19.4	178.5	-66.3	-166.8	176	0	0	113.3	D364 V368	D364-E366 PolarHBondContact O-N 3.01Å; D364-E366 WeakPolarHBondContact OD1-CB 3.45Å; D364-E366 PolarHBondContact OD1-N 3.13Å; E366-V368 PolarHBondContact O-N 2.94Å
367	D	96.8	Very high	97.1	Very high	36 Å²	36	30 Å²	30	19%	0.193	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-75.7	-7.7	176.6	-77.6	-30.2	0	0	0	113.5	I329 K332 K333 D364 P365	I329-D367 HydrophobicContact CD1-CB 3.92Å; I329-D367 HydrophobicContact CG1-CB 4.35Å; I329-D367 HydrophobicContact CG2-CB 3.82Å; K332-D367 PolarHBondContact NZ-O 3.45Å; K333-D367 WeakPolarHBondContact CE-OD1 3.49Å; K333-D367 WeakPolarHBondContact CE-OD2 3.33Å; K333-D367 IonicContact NZ-OD1 2.71Å; K333-D367 PolarHBondContact NZ-OD1 3.49Å; K333-D367 IonicContact NZ-OD2 2.7Å; K333-D367 PolarHBondContact NZ-OD2 3.35Å; D364-D367 WeakPolarHBondContact O-CB 3.37Å; D364-D367 PolarHBondContact O-N 2.77Å; D364-D367 VanDerWaalsContact O-N 3.08Å; P365-D367 PolarHBondContact O-N 2.66Å
368	V	98.4	Very high	97	Very high	5 Å²	5	30 Å²	30	3%	0.03	17%	0.17	C	C	.	.			trans	-108	120	175.6	-175.1	0	0	0	0	109.6	I329 L339 L341 V358 P365 E366 M371	I329-V368 HydrophobicContact CD1-CG2 4.5Å; L339-V368 HydrophobicContact CD2-CG1 4.34Å; L339-V368 HydrophobicContact CD2-CG2 4.19Å; L339-V368 HydrophobicContact CG-CG1 4.4Å; L341-V368 HydrophobicContact CB-CG1 3.64Å; L341-V368 HydrophobicContact CD2-CG1 4.14Å; L341-V368 HydrophobicContact CD2-CG2 4.15Å; V358-V368 HydrophobicContact CG2-CG2 3.95Å; P365-V368 PolarHBondContact O-N 2.97Å; P365-V368 VanDerWaalsContact O-N 3.1Å; E366-V368 PolarHBondContact O-N 2.94Å; V368-M371 HydrophobicContact CB-CG 3.93Å; V368-M371 HydrophobicContact CG1-CG 3.6Å
369	D	98.6	Very high	97	Very high	37 Å²	37	29.7 Å²	29.7	20%	0.198	17%	0.168	C	C	.	.	S	Bend	trans	-76.6	-35.6	-173.8	-51.2	-78.8	0	0	0	112.7	K332 Y338 L339 L392	K332-D369 WeakPolarHBondContact CE-OD2 3.37Å; K332-D369 IonicContact NZ-OD1 3.96Å; K332-D369 PolarHBondContact NZ-OD1 3.11Å; K332-D369 IonicContact NZ-OD2 2.66Å; K332-D369 PolarHBondContact NZ-OD2 3.47Å; Y338-D369 VanDerWaalsContact CA-OD2 3.27Å; Y338-D369 WeakPolarHBondContact CA-OD2 3.49Å; Y338-D369 HydrophobicContact CD1-CB 4.17Å; L339-D369 PolarHBondContact N-OD2 2.77Å; L339-D369 PolarHBondContact O-N 3.31Å; D369-L392 WeakPolarHBondContact O-CD2 3.42Å
370	V	98.7	Very high	96.9	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	109.1	179.5	-167.4	0	0	0	0	108.8	L247 L339 Y340 L341 I386 L392	L247-V370 HydrophobicContact CD1-CG1 4.4Å; L247-V370 HydrophobicContact CD1-CG2 4.09Å; L339-V370 PolarHBondContact O-N 3.27Å; Y340-V370 HydrophobicContact CD2-CB 3.69Å; Y340-V370 HydrophobicContact CD2-CG1 3.56Å; Y340-V370 HydrophobicContact CD2-CG2 4.09Å; Y340-V370 HydrophobicContact CE2-CB 4.17Å; Y340-V370 HydrophobicContact CE2-CG1 3.49Å; Y340-V370 VanDerWaalsContact CE2-CG1 3.49Å; Y340-V370 HydrophobicContact CG-CB 4.12Å; Y340-V370 HydrophobicContact CG-CG1 4.27Å; L341-V370 PolarHBondContact N-O 3.41Å; V370-I386 HydrophobicContact CG1-CG2 3.52Å; V370-L392 HydrophobicContact CB-CD2 4.48Å; V370-L392 HydrophobicContact CG1-CD2 4.49Å; V370-L392 HydrophobicContact CG2-CD2 3.9Å
371	M	98.4	Very high	96.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.4	174.3	-66	-171.4	77.6	0	0	109.4	L225 V227 V358 P365 V368 I386 G387	L225-M371 HydrophobicContact CB-SD 4.34Å; L225-M371 HydrophobicContact CD1-CB 4.44Å; L225-M371 HydrophobicContact CD2-CE 4.08Å; V227-M371 HydrophobicContact CG1-SD 3.74Å; V358-M371 HydrophobicContact CB-CE 4.37Å; V358-M371 HydrophobicContact CG2-CE 3.73Å; P365-M371 HydrophobicContact CB-SD 4.33Å; V368-M371 HydrophobicContact CB-CG 3.93Å; V368-M371 HydrophobicContact CG1-CG 3.6Å; M371-I386 CarbonylContact O-C 3.35Å; M371-I386 WeakPolarHBondContact O-CA 3.28Å; M371-G387 PolarHBondContact N-O 2.77Å; M371-G387 PolarHBondContact O-N 3.43Å
372	M	97.9	Very high	96.9	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.8	175.6	-166	-70.1	-97.8	0	0	109.5	T239 N240 Y340 L341 D342 E343 Y385 I386	T239-M372 HydrophobicContact CG2-CG 3.64Å; T239-M372 HydrophobicContact CG2-SD 3.88Å; N240-M372 HydrophobicContact CB-CE 4.3Å; N240-M372 WeakPolarHBondContact ND2-CE 3.35Å; N240-M372 WeakPolarHBondContact OD1-CE 3.34Å; Y340-M372 HydrophobicContact CD1-CB 4.48Å; Y340-M372 HydrophobicContact CE1-CB 3.55Å; Y340-M372 HydrophobicContact CE1-CG 4.07Å; Y340-M372 WeakPolarHBondContact OH-CG 3.2Å; L341-M372 PolarHBondContact O-N 2.88Å; D342-M372 HydrophobicContact CB-CE 4.24Å; D342-M372 VanDerWaalsContact OD1-CE 3.32Å; D342-M372 WeakPolarHBondContact OD1-CE 3.42Å; D342-M372 WeakPolarHBondContact OD2-CE 3.39Å; E343-M372 WeakPolarHBondContact CB-O 3.26Å; E343-M372 PolarHBondContact N-O 2.8Å; M372-Y385 WeakPolarHBondContact CA-O 3.48Å; M372-I386 HydrophobicContact CB-CG1 4.48Å; M372-I386 HydrophobicContact CG-CG1 4.16Å
373	G	97.6	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	179.5	163.3	0	0	0	0	0	113.8	G384 Y385	G373-G384 CarbonylContact O-C 3.55Å; G373-G384 WeakPolarHBondContact O-CA 3.21Å; G373-Y385 VanDerWaalsContact CA-CZ 3.44Å; G373-Y385 PolarHBondContact N-O 3.38Å; G373-Y385 VanDerWaalsContact N-O 3.14Å; G373-Y385 PolarHBondContact O-N 2.88Å
374	T	97.6	Very high	96.9	Very high	4 Å²	4	25 Å²	25	3%	0.025	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.5	178.4	-171.2	0	0	0	0	112.4	A344 T376 K377 G383	A344-T374 HydrophobicContact CB-CG2 3.67Å; A344-T374 WeakPolarHBondContact O-CG2 3.26Å; T374-T376 WeakPolarHBondContact CG2-OG1 3.47Å; T374-T376 WeakPolarHBondContact OG1-CG2 3.25Å; T374-T376 PolarHBondContact OG1-N 3.2Å; T374-T376 PolarHBondContact OG1-OG1 2.71Å; T374-K377 HydrophobicContact CG2-CB 4.38Å; T374-K377 HydrophobicContact CG2-CD 4.19Å; T374-K377 HydrophobicContact CG2-CG 3.87Å; T374-G383 PolarHBondContact OG1-O 2.83Å
375	F	98	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-87.7	-6.2	171	-57.6	-53.5	0	0	0	113.3	L217 V221 A232 K377 F379 A381 S382 G383 G384 Y385 I417 M421	L217-F375 HydrophobicContact CD1-CZ 4.29Å; L217-F375 HydrophobicContact CD2-CE2 4.43Å; V221-F375 HydrophobicContact CG2-CE1 4.02Å; V221-F375 HydrophobicContact CG2-CZ 3.76Å; A232-F375 HydrophobicContact CB-CE2 4.27Å; F375-K377 VanDerWaalsContact C-N 3.29Å; F375-K377 PolarHBondContact O-N 3.01Å; F375-F379 AromaticContact CD1-CD2 3.93Å; F375-F379 HydrophobicContact CD1-CD2 3.93Å; F375-F379 HydrophobicContact CD1-CE2 4.29Å; F375-F379 HydrophobicContact CD1-CG 4.28Å; F375-A381 HydrophobicContact CB-CB 4.32Å; F375-A381 CarbonylContact O-C 3.51Å; F375-A381 PolarHBondContact O-N 3.23Å; F375-S382 WeakPolarHBondContact CB-O 3.29Å; F375-G383 PolarHBondContact N-O 2.84Å; F375-G384 VanDerWaalsContact CE2-O 3.31Å; F375-G384 WeakPolarHBondContact CE2-O 3.09Å; F375-Y385 HydrophobicContact CD1-CD1 4.13Å; F375-Y385 AromaticContact CE1-CD1 3.43Å; F375-Y385 HydrophobicContact CE1-CD1 3.43Å; F375-Y385 VanDerWaalsContact CE1-CD1 3.43Å; F375-Y385 HydrophobicContact CE1-CE1 4.01Å; F375-Y385 HydrophobicContact CE1-CG 4.37Å; F375-Y385 HydrophobicContact CE2-CD1 4.17Å; F375-Y385 AromaticContact CZ-CD1 3.46Å; F375-Y385 HydrophobicContact CZ-CD1 3.46Å; F375-Y385 VanDerWaalsContact CZ-CD1 3.46Å; F375-Y385 HydrophobicContact CZ-CE1 4.46Å; F375-Y385 HydrophobicContact CZ-CG 4.02Å; F375-I417 HydrophobicContact CB-CD1 3.78Å; F375-I417 HydrophobicContact CB-CG1 3.92Å; F375-I417 HydrophobicContact CD1-CD1 4.17Å; F375-I417 HydrophobicContact CD1-CG1 4.19Å; F375-I417 HydrophobicContact CD1-CG2 3.48Å; F375-I417 VanDerWaalsContact CD1-CG2 3.48Å; F375-I417 HydrophobicContact CD2-CD1 3.51Å; F375-I417 HydrophobicContact CD2-CG1 4.37Å; F375-I417 HydrophobicContact CE1-CG2 3.54Å; F375-I417 HydrophobicContact CE2-CD1 4.09Å; F375-I417 HydrophobicContact CG-CD1 3.56Å; F375-I417 HydrophobicContact CG-CG1 3.92Å; F375-I417 HydrophobicContact CG-CG2 4.05Å; F375-I417 HydrophobicContact CZ-CG2 4.15Å; F375-M421 HydrophobicContact CE1-CE 4.11Å
376	T	96.7	Very high	97.1	Very high	69 Å²	69	19.6 Å²	19.6	42%	0.423	12%	0.115	S	C	.	.	S	Bend	trans	-76	-10.5	-173.6	59.9	0	0	0	0	115.2	T374 A381	T374-T376 WeakPolarHBondContact CG2-OG1 3.47Å; T374-T376 WeakPolarHBondContact OG1-CG2 3.25Å; T374-T376 PolarHBondContact OG1-N 3.2Å; T374-T376 PolarHBondContact OG1-OG1 2.71Å; T376-A381 WeakPolarHBondContact CA-O 3.39Å
377	K	96.9	Very high	97.3	Very high	19 Å²	19	13.1 Å²	13.1	8%	0.083	8%	0.084	C	C	.	.	S	Bend	trans	-112.2	-99.7	-172	-58.1	-167.9	-160	133.2	0	111.4	Y174 Y176 A344 H345 T374 F375 F379 G380	Y174-K377 HydrophobicContact CD2-CD 3.76Å; Y174-K377 HydrophobicContact CD2-CG 4.1Å; Y174-K377 HydrophobicContact CG-CD 3.81Å; Y174-K377 HydrophobicContact CG-CG 4.18Å; Y174-K377 CarbonylContact O-C 3.59Å; Y174-K377 WeakPolarHBondContact O-CA 3.31Å; Y174-K377 VanDerWaalsContact O-CB 3.32Å; Y174-K377 WeakPolarHBondContact O-CB 3.37Å; Y176-K377 HydrophobicContact CD2-CB 4.07Å; Y176-K377 HydrophobicContact CE2-CB 4.1Å; Y176-K377 HydrophobicContact CE2-CD 4.04Å; A344-K377 VanDerWaalsContact C-NZ 3.35Å; A344-K377 VanDerWaalsContact O-CD 3.25Å; A344-K377 WeakPolarHBondContact O-CD 3.47Å; A344-K377 PolarHBondContact O-NZ 3.19Å; H345-K377 PolarHBondContact CD2-NZ 2.87Å; H345-K377 WeakPolarHBondContact CE1-CE 3.22Å; H345-K377 PolarHBondContact CE1-NZ 2.9Å; H345-K377 VanDerWaalsContact CE1-NZ 3.32Å; H345-K377 WeakPolarHBondContact NE2-CE 3.43Å; H345-K377 PolarHBondContact NE2-NZ 3.47Å; T374-K377 HydrophobicContact CG2-CB 4.38Å; T374-K377 HydrophobicContact CG2-CD 4.19Å; T374-K377 HydrophobicContact CG2-CG 3.87Å; F375-K377 VanDerWaalsContact C-N 3.29Å; F375-K377 PolarHBondContact O-N 3.01Å; K377-F379 PolarHBondContact O-N 3.28Å; K377-F379 VanDerWaalsContact O-N 3.13Å; K377-G380 PolarHBondContact O-N 2.89Å
378	S	97	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.7	-175.6	-53	0	0	0	0	113.5	Y176 F179 I347	Y176-S378 WeakPolarHBondContact CD2-OG 3.39Å; F179-S378 WeakPolarHBondContact CD2-O 3.33Å; I347-S378 VanDerWaalsContact O-CB 3.27Å; I347-S378 WeakPolarHBondContact O-CB 3.33Å; I347-S378 PolarHBondContact O-OG 3.47Å
379	F	97	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.8	-179.5	-54.4	-79.8	0	0	0	114.1	F224 I347 F375 K377 A381 Q416 S420 M421 I424	F224-F379 HydrophobicContact CE1-CZ 4.09Å; I347-F379 HydrophobicContact CG1-CE2 3.92Å; I347-F379 HydrophobicContact CG1-CZ 3.9Å; I347-F379 HydrophobicContact CG2-CE2 3.84Å; F375-F379 AromaticContact CD1-CD2 3.93Å; F375-F379 HydrophobicContact CD1-CD2 3.93Å; F375-F379 HydrophobicContact CD1-CE2 4.29Å; F375-F379 HydrophobicContact CD1-CG 4.28Å; K377-F379 PolarHBondContact O-N 3.28Å; K377-F379 VanDerWaalsContact O-N 3.13Å; F379-A381 VanDerWaalsContact C-N 3.27Å; F379-A381 PolarHBondContact O-N 3.34Å; F379-Q416 PolarHBondContact O-NE2 2.97Å; F379-S420 PolarHBondContact O-OG 3.14Å; F379-M421 HydrophobicContact CD1-CB 4.4Å; F379-M421 HydrophobicContact CD1-CE 4.24Å; F379-M421 HydrophobicContact CE1-CB 4.14Å; F379-M421 HydrophobicContact CE1-CE 3.54Å; F379-M421 HydrophobicContact CE1-CG 4.3Å; F379-M421 HydrophobicContact CZ-CE 3.72Å; F379-I424 HydrophobicContact CD1-CD1 3.95Å; F379-I424 HydrophobicContact CE1-CD1 3.67Å
380	G	94.9	Very high	97.4	Very high	21 Å²	21	19.8 Å²	19.8	22%	0.216	11%	0.111	C	C	.	.	S	Bend	trans	62	28.5	176.6	0	0	0	0	0	115.1	K377	K377-G380 PolarHBondContact O-N 2.89Å
381	A	95.8	Very high	97.3	Very high	24 Å²	24	27.2 Å²	27.2	20%	0.198	15%	0.145	C	C	.	.	S	Bend	trans	-124	-145.9	-174.1	0	0	0	0	0	111.7	F375 T376 F379 V413 Q416 I417	F375-A381 HydrophobicContact CB-CB 4.32Å; F375-A381 CarbonylContact O-C 3.51Å; F375-A381 PolarHBondContact O-N 3.23Å; T376-A381 WeakPolarHBondContact CA-O 3.39Å; F379-A381 VanDerWaalsContact C-N 3.27Å; F379-A381 PolarHBondContact O-N 3.34Å; A381-V413 HydrophobicContact CB-CG1 4.19Å; A381-Q416 HydrophobicContact CB-CB 4.38Å; A381-Q416 HydrophobicContact CB-CG 3.76Å; A381-I417 HydrophobicContact CB-CD1 4.13Å; A381-I417 HydrophobicContact CB-CG1 3.42Å; A381-I417 VanDerWaalsContact CB-CG1 3.42Å
382	S	95.4	Very high	97.3	Very high	48 Å²	48	28.8 Å²	28.8	34%	0.336	15%	0.153	S	C	.	.			trans	-140	157.8	172.4	74.5	0	0	0	0	111.9	F375 V413	F375-S382 WeakPolarHBondContact CB-O 3.29Å; S382-V413 WeakPolarHBondContact OG-CG1 3.5Å
383	G	96	Very high	97.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.153	C	C	.	.			trans	104.9	-168.4	-178.1	0	0	0	0	0	115.2	Y233 T374 F375	Y233-G383 CarbonylContact O-C 3.5Å; Y233-G383 WeakPolarHBondContact O-CA 3.29Å; T374-G383 PolarHBondContact OG1-O 2.83Å; F375-G383 PolarHBondContact N-O 2.84Å
384	G	97.3	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-179.6	174.8	0	0	0	0	0	111.8	A232 Y233 G373 F375	A232-G384 CarbonylContact C-O 3.38Å; A232-G384 WeakPolarHBondContact CA-O 3.48Å; Y233-G384 PolarHBondContact N-O 3.33Å; Y233-G384 PolarHBondContact O-N 3.31Å; G373-G384 CarbonylContact O-C 3.55Å; G373-G384 WeakPolarHBondContact O-CA 3.21Å; F375-G384 VanDerWaalsContact CE2-O 3.31Å; F375-G384 WeakPolarHBondContact CE2-O 3.09Å
385	Y	98.1	Very high	97.2	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.4	-178.8	63.7	-94.7	0	0	0	111.6	V221 L225 M231 I347 M372 G373 F375	V221-Y385 HydrophobicContact CG1-CD1 4.33Å; V221-Y385 HydrophobicContact CG1-CD2 3.8Å; V221-Y385 HydrophobicContact CG1-CE2 4.34Å; V221-Y385 HydrophobicContact CG1-CG 3.8Å; L225-Y385 HydrophobicContact CD1-CD2 3.84Å; L225-Y385 HydrophobicContact CD1-CE2 3.48Å; L225-Y385 VanDerWaalsContact CD1-CE2 3.48Å; L225-Y385 HydrophobicContact CD2-CE2 3.87Å; L225-Y385 HydrophobicContact CG-CE2 4.2Å; M231-Y385 CarbonylContact O-C 3.14Å; M231-Y385 WeakPolarHBondContact O-CA 3.28Å; M231-Y385 WeakPolarHBondContact O-CB 3.45Å; I347-Y385 VanDerWaalsContact CD1-OH 3.27Å; I347-Y385 WeakPolarHBondContact CD1-OH 3.3Å; I347-Y385 VanDerWaalsContact CG1-OH 3.23Å; I347-Y385 WeakPolarHBondContact CG1-OH 3.38Å; M372-Y385 WeakPolarHBondContact CA-O 3.48Å; G373-Y385 VanDerWaalsContact CA-CZ 3.44Å; G373-Y385 PolarHBondContact N-O 3.38Å; G373-Y385 VanDerWaalsContact N-O 3.14Å; G373-Y385 PolarHBondContact O-N 2.88Å; F375-Y385 HydrophobicContact CD1-CD1 4.13Å; F375-Y385 AromaticContact CE1-CD1 3.43Å; F375-Y385 HydrophobicContact CE1-CD1 3.43Å; F375-Y385 VanDerWaalsContact CE1-CD1 3.43Å; F375-Y385 HydrophobicContact CE1-CE1 4.01Å; F375-Y385 HydrophobicContact CE1-CG 4.37Å; F375-Y385 HydrophobicContact CE2-CD1 4.17Å; F375-Y385 AromaticContact CZ-CD1 3.46Å; F375-Y385 HydrophobicContact CZ-CD1 3.46Å; F375-Y385 VanDerWaalsContact CZ-CD1 3.46Å; F375-Y385 HydrophobicContact CZ-CE1 4.46Å; F375-Y385 HydrophobicContact CZ-CG 4.02Å
386	I	98.5	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.5	161.5	-67.6	173.7	0	0	0	107.7	A230 M231 Y233 T239 N243 V370 M371 M372 I393 L396	A230-I386 CarbonylContact C-O 3.55Å; A230-I386 VanDerWaalsContact CA-O 3.25Å; A230-I386 WeakPolarHBondContact CA-O 3.33Å; M231-I386 PolarHBondContact N-O 2.8Å; M231-I386 PolarHBondContact O-N 2.99Å; Y233-I386 HydrophobicContact CE2-CB 3.97Å; Y233-I386 HydrophobicContact CE2-CD1 3.92Å; Y233-I386 HydrophobicContact CE2-CG1 3.8Å; T239-I386 HydrophobicContact CG2-CD1 4.23Å; T239-I386 HydrophobicContact CG2-CG1 3.84Å; N243-I386 HydrophobicContact CB-CD1 3.54Å; V370-I386 HydrophobicContact CG1-CG2 3.52Å; M371-I386 CarbonylContact O-C 3.35Å; M371-I386 WeakPolarHBondContact O-CA 3.28Å; M372-I386 HydrophobicContact CB-CG1 4.48Å; M372-I386 HydrophobicContact CG-CG1 4.16Å; I386-I393 HydrophobicContact CG2-CD1 4.03Å; I386-I393 VanDerWaalsContact O-CD1 3.29Å; I386-I393 WeakPolarHBondContact O-CD1 3.13Å; I386-L396 HydrophobicContact CB-CD1 4.31Å; I386-L396 HydrophobicContact CD1-CD1 4.06Å; I386-L396 HydrophobicContact CG2-CD1 3.75Å
387	G	98.4	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.1	172.7	0	0	0	0	0	111.7	A229 M371	A229-G387 WeakPolarHBondContact O-CA 3.39Å; M371-G387 PolarHBondContact N-O 2.77Å; M371-G387 PolarHBondContact O-N 3.43Å
388	G	98.2	Very high	96.8	Very high	4 Å²	4	40 Å²	40	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.2	-150.2	176.3	0	0	0	0	0	111.3	E228 A229	E228-G388 PolarHBondContact N-O 2.96Å; A229-G388 PolarHBondContact N-O 3.23Å; A229-G388 VanDerWaalsContact N-O 3.13Å; A229-G388 PolarHBondContact O-N 3.17Å
389	K	98.3	Very high	96.6	Very high	116 Å²	116	44.5 Å²	44.5	50%	0.504	22%	0.222	S	C	.	.			trans	-62.9	146.9	176.2	-66.3	-169.3	174	-169.1	0	111.9	E391 L392 I393	K389-E391 VanDerWaalsContact C-N 3.28Å; K389-E391 PolarHBondContact O-N 2.96Å; K389-L392 WeakPolarHBondContact O-CB 3.5Å; K389-L392 PolarHBondContact O-N 3Å; K389-I393 PolarHBondContact O-N 3.49Å; K389-I393 VanDerWaalsContact O-N 3.12Å
390	K	98.2	Very high	96.3	Very high	99 Å²	99	44.5 Å²	44.5	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-57.1	-42.1	179.1	177.6	163.5	174	43.6	0	112.3	E228 A229 L392 I393 D394	E228-K390 HydrophobicContact CB-CB 4.17Å; E228-K390 WeakPolarHBondContact OE2-CB 3.47Å; E228-K390 PolarHBondContact OE2-N 3.41Å; A229-K390 HydrophobicContact CB-CB 4.3Å; K390-L392 VanDerWaalsContact C-N 3.28Å; K390-L392 PolarHBondContact O-N 3.47Å; K390-I393 PolarHBondContact O-N 2.79Å; K390-I393 VanDerWaalsContact O-N 3.16Å; K390-D394 WeakPolarHBondContact CE-OD2 3.44Å; K390-D394 WeakPolarHBondContact CG-OD2 3.12Å; K390-D394 IonicContact NZ-OD1 2.92Å; K390-D394 PolarHBondContact NZ-OD1 3.23Å; K390-D394 IonicContact NZ-OD2 2.71Å; K390-D394 PolarHBondContact NZ-OD2 3.23Å; K390-D394 WeakPolarHBondContact O-CB 3.28Å; K390-D394 PolarHBondContact O-N 2.8Å
391	E	98	Very high	96.1	Very high	162 Å²	162	47.7 Å²	47.7	76%	0.757	23%	0.231	S	C	*	.	H	α-helix	trans	-58.9	-38.4	177.2	-63.1	-179.3	174.6	0	0	112.8	K389 Y395	K389-E391 VanDerWaalsContact C-N 3.28Å; K389-E391 PolarHBondContact O-N 2.96Å; E391-Y395 VanDerWaalsContact O-CB 3.31Å; E391-Y395 WeakPolarHBondContact O-CB 3.41Å; E391-Y395 PolarHBondContact O-N 3.33Å
392	L	97.7	Very high	95.7	Very high	34 Å²	34	47.3 Å²	47.3	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-46.4	176	165.3	69.6	0	0	0	110.8	L247 D369 V370 K389 K390 Y395 L396	L247-L392 HydrophobicContact CD2-CD1 3.5Å; D369-L392 WeakPolarHBondContact O-CD2 3.42Å; V370-L392 HydrophobicContact CB-CD2 4.48Å; V370-L392 HydrophobicContact CG1-CD2 4.49Å; V370-L392 HydrophobicContact CG2-CD2 3.9Å; K389-L392 WeakPolarHBondContact O-CB 3.5Å; K389-L392 PolarHBondContact O-N 3Å; K390-L392 VanDerWaalsContact C-N 3.28Å; K390-L392 PolarHBondContact O-N 3.47Å; L392-Y395 WeakPolarHBondContact O-CB 3.15Å; L392-Y395 PolarHBondContact O-N 3.43Å; L392-L396 HydrophobicContact CD1-CD1 4.07Å; L392-L396 HydrophobicContact CD1-CG 4.25Å; L392-L396 HydrophobicContact CG-CD1 4.22Å; L392-L396 WeakPolarHBondContact O-CG 3.13Å; L392-L396 PolarHBondContact O-N 2.94Å
393	I	97.9	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-42.7	-178	-61.9	-52.9	0	0	0	111.1	A229 M231 I386 K389 K390 Y395 L396 R397	A229-I393 HydrophobicContact CB-CB 3.85Å; A229-I393 HydrophobicContact CB-CG1 3.75Å; A229-I393 HydrophobicContact CB-CG2 4.07Å; A229-I393 WeakPolarHBondContact O-CG1 3.45Å; M231-I393 HydrophobicContact CB-CG2 4.05Å; I386-I393 HydrophobicContact CG2-CD1 4.03Å; I386-I393 VanDerWaalsContact O-CD1 3.29Å; I386-I393 WeakPolarHBondContact O-CD1 3.13Å; K389-I393 PolarHBondContact O-N 3.49Å; K389-I393 VanDerWaalsContact O-N 3.12Å; K390-I393 PolarHBondContact O-N 2.79Å; K390-I393 VanDerWaalsContact O-N 3.16Å; I393-Y395 VanDerWaalsContact C-N 3.29Å; I393-Y395 PolarHBondContact O-N 3.42Å; I393-L396 PolarHBondContact O-N 3.4Å; I393-R397 WeakPolarHBondContact O-CG 3.32Å; I393-R397 PolarHBondContact O-N 3.13Å
394	D	96.8	Very high	94.9	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-35.8	175.7	-69.7	-24.6	0	0	0	111.5	K390 R397 T398	K390-D394 WeakPolarHBondContact CE-OD2 3.44Å; K390-D394 WeakPolarHBondContact CG-OD2 3.12Å; K390-D394 IonicContact NZ-OD1 2.92Å; K390-D394 PolarHBondContact NZ-OD1 3.23Å; K390-D394 IonicContact NZ-OD2 2.71Å; K390-D394 PolarHBondContact NZ-OD2 3.23Å; K390-D394 WeakPolarHBondContact O-CB 3.28Å; K390-D394 PolarHBondContact O-N 2.8Å; D394-R397 IonicContact OD1-NH1 3.93Å; D394-R397 PolarHBondContact OD1-NH1 3.25Å; D394-T398 PolarHBondContact O-OG1 3.1Å
395	Y	96.7	Very high	94.6	Very high	97 Å²	97	55 Å²	55	38%	0.38	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-48.2	171.3	178.6	-95.7	0	0	0	112.1	A246 E391 L392 I393 R397 T398 H399	A246-Y395 HydrophobicContact CB-CE1 4.48Å; A246-Y395 WeakPolarHBondContact O-CE1 3.31Å; A246-Y395 PolarHBondContact O-OH 2.78Å; E391-Y395 VanDerWaalsContact O-CB 3.31Å; E391-Y395 WeakPolarHBondContact O-CB 3.41Å; E391-Y395 PolarHBondContact O-N 3.33Å; L392-Y395 WeakPolarHBondContact O-CB 3.15Å; L392-Y395 PolarHBondContact O-N 3.43Å; I393-Y395 VanDerWaalsContact C-N 3.29Å; I393-Y395 PolarHBondContact O-N 3.42Å; Y395-R397 VanDerWaalsContact C-N 3.33Å; Y395-R397 PolarHBondContact O-N 2.69Å; Y395-T398 PolarHBondContact O-N 2.94Å; Y395-T398 PolarHBondContact O-OG1 2.95Å; Y395-H399 AromaticContact CD2-CE1 3.78Å; Y395-H399 AromaticContact CD2-ND1 3.62Å; Y395-H399 HydrophobicContact CE1-CB 4.03Å; Y395-H399 HydrophobicContact CE2-CB 4.41Å; Y395-H399 AromaticContact CE2-CD2 3.74Å; Y395-H399 AromaticContact CE2-CE1 3.55Å; Y395-H399 AromaticContact CE2-CG 3.65Å; Y395-H399 AromaticContact CE2-ND1 3.53Å; Y395-H399 AromaticContact CE2-NE2 3.66Å; Y395-H399 AromaticContact CZ-CD2 3.81Å; Y395-H399 AromaticContact CZ-CG 3.65Å; Y395-H399 AromaticContact CZ-ND1 3.98Å; Y395-H399 WeakPolarHBondContact O-CB 2.93Å; Y395-H399 PolarHBondContact O-N 2.99Å; Y395-H399 PolarHBondContact O-ND1 3.13Å
396	L	96.1	Very high	94.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-37.1	178.8	-76.7	174.5	0	0	0	112.4	N243 A246 L247 I386 L392 I393 T398 H399 S400	N243-L396 HydrophobicContact CB-CD2 4.39Å; A246-L396 HydrophobicContact CB-CD2 4.03Å; L247-L396 HydrophobicContact CD2-CD1 4.5Å; L247-L396 HydrophobicContact CD2-CD2 3.85Å; L247-L396 HydrophobicContact CD2-CG 4.28Å; L247-L396 HydrophobicContact CG-CD2 4.38Å; I386-L396 HydrophobicContact CB-CD1 4.31Å; I386-L396 HydrophobicContact CD1-CD1 4.06Å; I386-L396 HydrophobicContact CG2-CD1 3.75Å; L392-L396 HydrophobicContact CD1-CD1 4.07Å; L392-L396 HydrophobicContact CD1-CG 4.25Å; L392-L396 HydrophobicContact CG-CD1 4.22Å; L392-L396 WeakPolarHBondContact O-CG 3.13Å; L392-L396 PolarHBondContact O-N 2.94Å; I393-L396 PolarHBondContact O-N 3.4Å; L396-T398 PolarHBondContact O-N 3.4Å; L396-T398 VanDerWaalsContact O-N 3.15Å; L396-H399 PolarHBondContact O-N 3.27Å; L396-S400 WeakPolarHBondContact O-CA 3.24Å; L396-S400 WeakPolarHBondContact O-CB 3.43Å; L396-S400 PolarHBondContact O-N 2.77Å
397	R	93.1	Very high	93.9	Very high	91 Å²	91	61.3 Å²	61.3	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-54.8	-34	176.5	-80.4	174.3	176.3	179.8	-8.5	112.7	Q206 E218 M231 I393 D394 Y395	Q206-R397 PolarHBondContact NE2-O 3.13Å; E218-R397 IonicContact OE2-CZ 2.89Å; E218-R397 IonicContact OE2-NE 3.09Å; E218-R397 IonicContact OE2-NH2 2.9Å; E218-R397 PolarHBondContact OE2-NH2 3.14Å; M231-R397 HydrophobicContact CE-CG 3.99Å; M231-R397 HydrophobicContact SD-CB 4.39Å; M231-R397 HydrophobicContact SD-CG 3.65Å; I393-R397 WeakPolarHBondContact O-CG 3.32Å; I393-R397 PolarHBondContact O-N 3.13Å; D394-R397 IonicContact OD1-NH1 3.93Å; D394-R397 PolarHBondContact OD1-NH1 3.25Å; Y395-R397 VanDerWaalsContact C-N 3.33Å; Y395-R397 PolarHBondContact O-N 2.69Å
398	T	92.8	Very high	93.6	Very high	84 Å²	84	62.2 Å²	62.2	52%	0.515	30%	0.302	S	S	.	.	H	α-helix	trans	-97.6	-25.3	-176.5	47.8	0	0	0	0	114	D394 Y395 L396	D394-T398 PolarHBondContact O-OG1 3.1Å; Y395-T398 PolarHBondContact O-N 2.94Å; Y395-T398 PolarHBondContact O-OG1 2.95Å; L396-T398 PolarHBondContact O-N 3.4Å; L396-T398 VanDerWaalsContact O-N 3.15Å
399	H	93.4	Very high	93.5	Very high	96 Å²	96	62.5 Å²	62.5	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-113.6	-12.5	-172	-64.2	75	0	0	0	114.6	A246 Y395 L396 H401	A246-H399 HydrophobicContact CB-CB 4.43Å; Y395-H399 AromaticContact CD2-CE1 3.78Å; Y395-H399 AromaticContact CD2-ND1 3.62Å; Y395-H399 HydrophobicContact CE1-CB 4.03Å; Y395-H399 HydrophobicContact CE2-CB 4.41Å; Y395-H399 AromaticContact CE2-CD2 3.74Å; Y395-H399 AromaticContact CE2-CE1 3.55Å; Y395-H399 AromaticContact CE2-CG 3.65Å; Y395-H399 AromaticContact CE2-ND1 3.53Å; Y395-H399 AromaticContact CE2-NE2 3.66Å; Y395-H399 AromaticContact CZ-CD2 3.81Å; Y395-H399 AromaticContact CZ-CG 3.65Å; Y395-H399 AromaticContact CZ-ND1 3.98Å; Y395-H399 WeakPolarHBondContact O-CB 2.93Å; Y395-H399 PolarHBondContact O-N 2.99Å; Y395-H399 PolarHBondContact O-ND1 3.13Å; L396-H399 PolarHBondContact O-N 3.27Å; H399-H401 PolarHBondContact O-N 3.02Å
400	S	91.3	Very high	93.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.			trans	-71.2	127.1	178.4	171.3	0	0	0	0	111.2	N243 L396 S402 A403 V404	N243-S400 WeakPolarHBondContact OD1-CB 3.36Å; N243-S400 PolarHBondContact OD1-OG 3.47Å; L396-S400 WeakPolarHBondContact O-CA 3.24Å; L396-S400 WeakPolarHBondContact O-CB 3.43Å; L396-S400 PolarHBondContact O-N 2.77Å; S400-S402 PolarHBondContact O-N 2.77Å; S400-S402 PolarHBondContact OG-N 3.42Å; S400-S402 VanDerWaalsContact OG-N 3.12Å; S400-A403 PolarHBondContact O-N 3.16Å; S400-A403 VanDerWaalsContact O-N 3.13Å; S400-A403 PolarHBondContact OG-N 3.1Å; S400-A403 VanDerWaalsContact OG-N 3.16Å; S400-V404 WeakPolarHBondContact O-CG2 3.49Å; S400-V404 PolarHBondContact O-N 3.06Å
401	H	89.4	Confident	93.3	Very high	88 Å²	88	53.6 Å²	53.6	41%	0.407	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-33.2	171.8	-68.2	83.5	0	0	0	112	M242 H399 Y405	M242-H401 HydrophobicContact CB-CB 4.43Å; M242-H401 HydrophobicContact CE-CB 3.61Å; H399-H401 PolarHBondContact O-N 3.02Å; H401-Y405 HydrophobicContact CB-CD2 4.29Å; H401-Y405 WeakPolarHBondContact O-CB 3.31Å; H401-Y405 WeakPolarHBondContact O-CD2 3.39Å; H401-Y405 PolarHBondContact O-N 3.42Å
402	S	88	Confident	93.3	Very high	15 Å²	15	46.9 Å²	46.9	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-72.2	-33.8	176	-72.7	0	0	0	0	112.6	M242 S400 A406	M242-S402 WeakPolarHBondContact CB-OG 3.48Å; S400-S402 PolarHBondContact O-N 2.77Å; S400-S402 PolarHBondContact OG-N 3.42Å; S400-S402 VanDerWaalsContact OG-N 3.12Å; S402-A406 WeakPolarHBondContact O-CB 3.42Å; S402-A406 PolarHBondContact O-N 3.26Å
403	A	85.9	Confident	93.3	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-41.8	174.7	0	0	0	0	0	112.2	M231 S400	M231-A403 HydrophobicContact CE-CB 3.34Å; M231-A403 HydrophobicContact SD-CB 4.27Å; S400-A403 PolarHBondContact O-N 3.16Å; S400-A403 VanDerWaalsContact O-N 3.13Å; S400-A403 PolarHBondContact OG-N 3.1Å; S400-A403 VanDerWaalsContact OG-N 3.16Å
404	V	89.4	Confident	93.3	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-78.7	-41.3	-172.9	-179.8	0	0	0	0	111.9	T204 Q206 S400	T204-V404 WeakPolarHBondContact CB-O 3.14Å; T204-V404 WeakPolarHBondContact CG2-O 3.46Å; Q206-V404 VanDerWaalsContact NE2-CG2 3.32Å; S400-V404 WeakPolarHBondContact O-CG2 3.49Å; S400-V404 PolarHBondContact O-N 3.06Å
405	Y	89.8	Confident	93.4	Very high	179 Å²	179	45.1 Å²	45.1	70%	0.702	23%	0.229	S	C	*	.	H	α-helix	trans	-117	-13.2	-166.6	-57.1	-66.4	0	0	0	115	H401	H401-Y405 HydrophobicContact CB-CD2 4.29Å; H401-Y405 WeakPolarHBondContact O-CB 3.31Å; H401-Y405 WeakPolarHBondContact O-CD2 3.39Å; H401-Y405 PolarHBondContact O-N 3.42Å
406	A	90.6	Very high	93.4	Very high	38 Å²	38	41.5 Å²	41.5	31%	0.314	22%	0.216	S	C	.	.	S	Bend	trans	-91.2	147	178.9	0	0	0	0	0	111.2	T204 S402	T204-A406 WeakPolarHBondContact CA-O 3.44Å; T204-A406 WeakPolarHBondContact CB-O 3.38Å; T204-A406 WeakPolarHBondContact CG2-O 3.13Å; S402-A406 WeakPolarHBondContact O-CB 3.42Å; S402-A406 PolarHBondContact O-N 3.26Å
407	T	91.6	Very high	93.5	Very high	96 Å²	96	41.5 Å²	41.5	59%	0.589	22%	0.216	S	C	*	.	B	Isolated β-bridge	trans	-63.5	142.9	172.9	55.1	0	0	0	0	110.6
408	S	93	Very high	93.8	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.133	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-58.8	159.8	173.9	-58	0	0	0	0	112.9	S203 R205 G209	S203-S408 PolarHBondContact O-N 3.48Å; S203-S408 PolarHBondContact O-OG 3.38Å; R205-S408 WeakPolarHBondContact CD-OG 3.41Å; R205-S408 WeakPolarHBondContact CG-OG 3.33Å; G209-S408 WeakPolarHBondContact O-CB 3.12Å; G209-S408 PolarHBondContact O-OG 2.69Å
409	L	95.2	Very high	94.1	Very high	9 Å²	9	34 Å²	34	5%	0.047	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-61.5	149.6	172.7	-79.5	165.4	0	0	0	110.5	H214 L217 A232 V413 V414	H214-L409 PolarHBondContact NE2-O 2.87Å; L217-L409 HydrophobicContact CD2-CD1 4.15Å; A232-L409 HydrophobicContact CB-CD1 3.93Å; L409-V413 HydrophobicContact CD2-CG1 4.39Å; L409-V414 HydrophobicContact CB-CG2 3.62Å; L409-V414 HydrophobicContact CD1-CG2 4.43Å
410	S	96.5	Very high	94.3	Very high	28 Å²	28	29.5 Å²	29.5	20%	0.196	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-69.9	133.1	175.8	168.7	0	0	0	0	110	V199 P412 V413 V414	V199-S410 VanDerWaalsContact O-CB 3.27Å; V199-S410 WeakPolarHBondContact O-CB 3.32Å; V199-S410 PolarHBondContact O-OG 3.29Å; S410-P412 VanDerWaalsContact OG-CD 3.25Å; S410-P412 WeakPolarHBondContact OG-CD 3.4Å; S410-P412 VanDerWaalsContact OG-CG 3.27Å; S410-P412 WeakPolarHBondContact OG-CG 3.46Å; S410-V413 WeakPolarHBondContact O-CA 3.2Å; S410-V413 WeakPolarHBondContact O-CB 3.29Å; S410-V413 PolarHBondContact O-N 3.41Å; S410-V414 WeakPolarHBondContact O-CG2 3.37Å; S410-V414 PolarHBondContact O-N 2.92Å
411	P	97.1	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-50.7	-48.1	179	-25.9	32.7	0	0	0	115.3	I193 Y197 L211 V413 V414 E415	I193-P411 HydrophobicContact CG2-CB 3.69Å; Y197-P411 HydrophobicContact CG-CB 4.24Å; L211-P411 HydrophobicContact CD1-CB 4.42Å; L211-P411 HydrophobicContact CD1-CG 3.66Å; P411-V413 VanDerWaalsContact C-N 3.26Å; P411-V413 PolarHBondContact O-N 3.47Å; P411-V414 WeakPolarHBondContact O-CB 3.23Å; P411-V414 PolarHBondContact O-N 3.06Å; P411-V414 VanDerWaalsContact O-N 3.12Å; P411-E415 PolarHBondContact O-N 3.15Å
412	P	97.6	Very high	95	Very high	21 Å²	21	28 Å²	28	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-29.8	176.1	23.3	-36	0	0	0	113.5	A190 L194 G198 S410 Q416	A190-P412 HydrophobicContact CB-CB 4.33Å; A190-P412 WeakPolarHBondContact CB-O 3.13Å; A190-P412 WeakPolarHBondContact O-CB 3.11Å; L194-P412 HydrophobicContact CB-CB 4.16Å; L194-P412 HydrophobicContact CB-CG 4.37Å; L194-P412 HydrophobicContact CD1-CG 4.27Å; G198-P412 WeakPolarHBondContact O-CD 3.45Å; S410-P412 VanDerWaalsContact OG-CD 3.25Å; S410-P412 WeakPolarHBondContact OG-CD 3.4Å; S410-P412 VanDerWaalsContact OG-CG 3.27Å; S410-P412 WeakPolarHBondContact OG-CG 3.46Å; P412-Q416 PolarHBondContact O-N 3.5Å
413	V	97.4	Very high	95.5	Very high	33 Å²	33	27.3 Å²	27.3	20%	0.2	15%	0.147	C	C	.	.	H	α-helix	trans	-69.8	-41.7	173.5	176	0	0	0	0	110.5	A381 S382 L409 S410 P411 E415 Q416 I417	A381-V413 HydrophobicContact CB-CG1 4.19Å; S382-V413 WeakPolarHBondContact OG-CG1 3.5Å; L409-V413 HydrophobicContact CD2-CG1 4.39Å; S410-V413 WeakPolarHBondContact O-CA 3.2Å; S410-V413 WeakPolarHBondContact O-CB 3.29Å; S410-V413 PolarHBondContact O-N 3.41Å; P411-V413 VanDerWaalsContact C-N 3.26Å; P411-V413 PolarHBondContact O-N 3.47Å; V413-E415 VanDerWaalsContact C-N 3.3Å; V413-E415 PolarHBondContact O-N 3.14Å; V413-Q416 WeakPolarHBondContact O-CB 3.38Å; V413-Q416 PolarHBondContact O-N 3.32Å; V413-I417 HydrophobicContact CG1-CD1 4.17Å; V413-I417 WeakPolarHBondContact O-CD1 3.48Å; V413-I417 VanDerWaalsContact O-CG1 3.29Å; V413-I417 WeakPolarHBondContact O-CG1 3.29Å; V413-I417 PolarHBondContact O-N 3.12Å; V413-I417 VanDerWaalsContact O-N 3.14Å
414	V	98	Very high	96	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-45.1	175.2	170.4	0	0	0	0	110.4	K213 L217 L409 S410 P411 Q416 I417 I418	K213-V414 HydrophobicContact CB-CG1 4Å; K213-V414 VanDerWaalsContact O-CG1 3.23Å; K213-V414 WeakPolarHBondContact O-CG1 3.48Å; L217-V414 HydrophobicContact CB-CG1 3.87Å; L217-V414 HydrophobicContact CD2-CB 4.47Å; L217-V414 HydrophobicContact CD2-CG1 4.01Å; L217-V414 HydrophobicContact CD2-CG2 4.14Å; L217-V414 HydrophobicContact CG-CG1 4.49Å; L409-V414 HydrophobicContact CB-CG2 3.62Å; L409-V414 HydrophobicContact CD1-CG2 4.43Å; S410-V414 WeakPolarHBondContact O-CG2 3.37Å; S410-V414 PolarHBondContact O-N 2.92Å; P411-V414 WeakPolarHBondContact O-CB 3.23Å; P411-V414 PolarHBondContact O-N 3.06Å; P411-V414 VanDerWaalsContact O-N 3.12Å; V414-Q416 PolarHBondContact O-N 3.07Å; V414-I417 WeakPolarHBondContact O-CB 3.46Å; V414-I417 PolarHBondContact O-N 2.91Å; V414-I417 VanDerWaalsContact O-N 3.15Å; V414-I418 HydrophobicContact CG1-CD1 3.72Å; V414-I418 HydrophobicContact CG1-CG1 4.38Å; V414-I418 WeakPolarHBondContact O-CG1 3.4Å; V414-I418 PolarHBondContact O-N 2.85Å
415	E	98.2	Very high	96.4	Very high	22 Å²	22	28.7 Å²	28.7	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-36.6	179.3	-166.7	68.1	-160.4	0	0	113	A189 I193 K213 P411 V413 I417 I418 T419	A189-E415 HydrophobicContact CB-CG 3.76Å; I193-E415 HydrophobicContact CB-CB 4.01Å; I193-E415 HydrophobicContact CB-CG 4.22Å; I193-E415 HydrophobicContact CG1-CB 3.72Å; I193-E415 HydrophobicContact CG1-CG 3.47Å; I193-E415 VanDerWaalsContact CG1-CG 3.47Å; I193-E415 HydrophobicContact CG2-CB 4.25Å; K213-E415 WeakPolarHBondContact CD-OE2 3.15Å; K213-E415 WeakPolarHBondContact CE-OE2 3.49Å; K213-E415 IonicContact NZ-OE1 3.88Å; K213-E415 IonicContact NZ-OE2 2.77Å; K213-E415 PolarHBondContact NZ-OE2 3.37Å; P411-E415 PolarHBondContact O-N 3.15Å; V413-E415 VanDerWaalsContact C-N 3.3Å; V413-E415 PolarHBondContact O-N 3.14Å; E415-I417 VanDerWaalsContact C-N 3.25Å; E415-I417 PolarHBondContact O-N 3.2Å; E415-I418 PolarHBondContact O-N 2.87Å; E415-T419 WeakPolarHBondContact O-CB 3.34Å; E415-T419 PolarHBondContact O-N 2.83Å; E415-T419 PolarHBondContact O-OG1 2.82Å
416	Q	97.9	Very high	96.7	Very high	21 Å²	21	22 Å²	22	10%	0.098	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-41.5	171.1	171.1	72.2	30.3	0	0	111	F179 C186 F379 A381 P412 V413 V414 S420	F179-Q416 PolarHBondContact O-NE2 3.19Å; C186-Q416 VanDerWaalsContact CB-OE1 3.31Å; F379-Q416 PolarHBondContact O-NE2 2.97Å; A381-Q416 HydrophobicContact CB-CB 4.38Å; A381-Q416 HydrophobicContact CB-CG 3.76Å; P412-Q416 PolarHBondContact O-N 3.5Å; V413-Q416 WeakPolarHBondContact O-CB 3.38Å; V413-Q416 PolarHBondContact O-N 3.32Å; V414-Q416 PolarHBondContact O-N 3.07Å; Q416-S420 WeakPolarHBondContact O-CB 3.43Å; Q416-S420 PolarHBondContact O-N 3.46Å; Q416-S420 PolarHBondContact O-OG 2.83Å
417	I	98.3	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-48	178.7	-60.1	158.8	0	0	0	110.5	L217 F375 A381 V413 V414 E415 T419 S420 M421	L217-I417 HydrophobicContact CD1-CB 3.97Å; L217-I417 HydrophobicContact CD1-CG2 3.42Å; L217-I417 VanDerWaalsContact CD1-CG2 3.42Å; L217-I417 HydrophobicContact CD2-CD1 4.25Å; F375-I417 HydrophobicContact CB-CD1 3.78Å; F375-I417 HydrophobicContact CB-CG1 3.92Å; F375-I417 HydrophobicContact CD1-CD1 4.17Å; F375-I417 HydrophobicContact CD1-CG1 4.19Å; F375-I417 HydrophobicContact CD1-CG2 3.48Å; F375-I417 VanDerWaalsContact CD1-CG2 3.48Å; F375-I417 HydrophobicContact CD2-CD1 3.51Å; F375-I417 HydrophobicContact CD2-CG1 4.37Å; F375-I417 HydrophobicContact CE1-CG2 3.54Å; F375-I417 HydrophobicContact CE2-CD1 4.09Å; F375-I417 HydrophobicContact CG-CD1 3.56Å; F375-I417 HydrophobicContact CG-CG1 3.92Å; F375-I417 HydrophobicContact CG-CG2 4.05Å; F375-I417 HydrophobicContact CZ-CG2 4.15Å; A381-I417 HydrophobicContact CB-CD1 4.13Å; A381-I417 HydrophobicContact CB-CG1 3.42Å; A381-I417 VanDerWaalsContact CB-CG1 3.42Å; V413-I417 HydrophobicContact CG1-CD1 4.17Å; V413-I417 WeakPolarHBondContact O-CD1 3.48Å; V413-I417 VanDerWaalsContact O-CG1 3.29Å; V413-I417 WeakPolarHBondContact O-CG1 3.29Å; V413-I417 PolarHBondContact O-N 3.12Å; V413-I417 VanDerWaalsContact O-N 3.14Å; V414-I417 WeakPolarHBondContact O-CB 3.46Å; V414-I417 PolarHBondContact O-N 2.91Å; V414-I417 VanDerWaalsContact O-N 3.15Å; E415-I417 VanDerWaalsContact C-N 3.25Å; E415-I417 PolarHBondContact O-N 3.2Å; I417-T419 VanDerWaalsContact C-N 3.32Å; I417-T419 PolarHBondContact O-N 2.7Å; I417-S420 PolarHBondContact O-N 3.13Å; I417-S420 PolarHBondContact O-OG 2.83Å; I417-S420 VanDerWaalsContact O-OG 3.07Å; I417-M421 HydrophobicContact CG2-CE 4.32Å; I417-M421 WeakPolarHBondContact O-CB 3.31Å; I417-M421 PolarHBondContact O-N 3.44Å
418	I	98.6	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.4	-49.2	178.6	-71.9	168.6	0	0	0	110.3	K213 E216 L217 L220 V414 E415 M421 K422	K213-I418 HydrophobicContact CD-CD1 4.39Å; E216-I418 HydrophobicContact CB-CD1 4.16Å; E216-I418 HydrophobicContact CG-CD1 3.98Å; L217-I418 HydrophobicContact CB-CD1 4.19Å; L217-I418 HydrophobicContact CB-CG1 4.11Å; L217-I418 HydrophobicContact CD1-CG1 4.19Å; L220-I418 HydrophobicContact CD2-CB 4.25Å; L220-I418 HydrophobicContact CD2-CG1 4.31Å; L220-I418 HydrophobicContact CD2-CG2 4.1Å; V414-I418 HydrophobicContact CG1-CD1 3.72Å; V414-I418 HydrophobicContact CG1-CG1 4.38Å; V414-I418 WeakPolarHBondContact O-CG1 3.4Å; V414-I418 PolarHBondContact O-N 2.85Å; E415-I418 PolarHBondContact O-N 2.87Å; I418-M421 PolarHBondContact O-N 3.19Å; I418-K422 HydrophobicContact CG2-CD 3.92Å; I418-K422 WeakPolarHBondContact O-CB 3.46Å; I418-K422 WeakPolarHBondContact O-CG 3.46Å; I418-K422 PolarHBondContact O-N 2.99Å
419	T	98.2	Very high	97	Very high	18 Å²	18	25.6 Å²	25.6	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-47.4	-177.7	-52.6	0	0	0	0	111.8	C186 A189 E415 I417 M421 K422 C423	C186-T419 HydrophobicContact CB-CG2 4.33Å; A189-T419 HydrophobicContact CB-CG2 4.48Å; A189-T419 WeakPolarHBondContact CB-OG1 3.44Å; E415-T419 WeakPolarHBondContact O-CB 3.34Å; E415-T419 PolarHBondContact O-N 2.83Å; E415-T419 PolarHBondContact O-OG1 2.82Å; I417-T419 VanDerWaalsContact C-N 3.32Å; I417-T419 PolarHBondContact O-N 2.7Å; T419-M421 VanDerWaalsContact C-N 3.35Å; T419-M421 PolarHBondContact O-N 3.49Å; T419-K422 PolarHBondContact O-N 2.63Å; T419-C423 WeakPolarHBondContact O-CB 3.39Å; T419-C423 PolarHBondContact O-N 3.44Å
420	S	97.9	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-39.7	178.6	56.6	0	0	0	0	112.1	F379 Q416 I417 C423 I424	F379-S420 PolarHBondContact O-OG 3.14Å; Q416-S420 WeakPolarHBondContact O-CB 3.43Å; Q416-S420 PolarHBondContact O-N 3.46Å; Q416-S420 PolarHBondContact O-OG 2.83Å; I417-S420 PolarHBondContact O-N 3.13Å; I417-S420 PolarHBondContact O-OG 2.83Å; I417-S420 VanDerWaalsContact O-OG 3.07Å; S420-C423 WeakPolarHBondContact O-CB 3.47Å; S420-C423 PolarHBondContact O-N 2.93Å; S420-I424 WeakPolarHBondContact O-CD1 3.44Å; S420-I424 VanDerWaalsContact O-CG1 3.26Å; S420-I424 WeakPolarHBondContact O-CG1 3.36Å; S420-I424 PolarHBondContact O-N 3.48Å
421	M	98.1	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.7	-42.6	177.4	-171.8	172.8	-67.8	0	0	112.2	L220 V221 F224 F375 F379 I417 I418 T419 C423 I424 M425	L220-M421 HydrophobicContact CB-SD 4.44Å; L220-M421 HydrophobicContact CD2-CB 3.9Å; L220-M421 HydrophobicContact CD2-CG 4.02Å; L220-M421 HydrophobicContact CD2-SD 3.98Å; L220-M421 HydrophobicContact CG-CG 4.08Å; L220-M421 HydrophobicContact CG-SD 3.71Å; V221-M421 HydrophobicContact CG2-CE 3.91Å; V221-M421 HydrophobicContact CG2-SD 4.15Å; F224-M421 HydrophobicContact CB-CE 4.46Å; F224-M421 HydrophobicContact CB-CG 4.1Å; F224-M421 HydrophobicContact CB-SD 3.58Å; F224-M421 VanDerWaalsContact CB-SD 3.58Å; F224-M421 HydrophobicContact CD1-CE 4.24Å; F224-M421 HydrophobicContact CD1-SD 4.36Å; F224-M421 HydrophobicContact CD2-CG 3.86Å; F224-M421 HydrophobicContact CD2-SD 4.41Å; F224-M421 HydrophobicContact CE2-CG 4.45Å; F224-M421 HydrophobicContact CG-CE 4.35Å; F224-M421 HydrophobicContact CG-CG 3.93Å; F224-M421 HydrophobicContact CG-SD 3.87Å; F375-M421 HydrophobicContact CE1-CE 4.11Å; F379-M421 HydrophobicContact CD1-CB 4.4Å; F379-M421 HydrophobicContact CD1-CE 4.24Å; F379-M421 HydrophobicContact CE1-CB 4.14Å; F379-M421 HydrophobicContact CE1-CE 3.54Å; F379-M421 HydrophobicContact CE1-CG 4.3Å; F379-M421 HydrophobicContact CZ-CE 3.72Å; I417-M421 HydrophobicContact CG2-CE 4.32Å; I417-M421 WeakPolarHBondContact O-CB 3.31Å; I417-M421 PolarHBondContact O-N 3.44Å; I418-M421 PolarHBondContact O-N 3.19Å; T419-M421 VanDerWaalsContact C-N 3.35Å; T419-M421 PolarHBondContact O-N 3.49Å; M421-C423 VanDerWaalsContact C-N 3.27Å; M421-C423 PolarHBondContact O-N 3.35Å; M421-I424 PolarHBondContact O-N 2.97Å; M421-M425 HydrophobicContact CG-SD 4.11Å; M421-M425 WeakPolarHBondContact O-CB 3.42Å; M421-M425 VanDerWaalsContact O-CG 3.24Å; M421-M425 WeakPolarHBondContact O-CG 3.22Å; M421-M425 PolarHBondContact O-N 2.86Å
422	K	98	Very high	96.8	Very high	56 Å²	56	33.4 Å²	33.4	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-40	172.3	-78	176.2	-178.1	166.8	0	111.5	E216 L220 I418 T419 M425 G426 Q427	E216-K422 IonicContact OE1-NZ 3.86Å; E216-K422 PolarHBondContact OE1-NZ 2.73Å; L220-K422 HydrophobicContact CD1-CG 4.24Å; L220-K422 HydrophobicContact CD2-CG 4.03Å; I418-K422 HydrophobicContact CG2-CD 3.92Å; I418-K422 WeakPolarHBondContact O-CB 3.46Å; I418-K422 WeakPolarHBondContact O-CG 3.46Å; I418-K422 PolarHBondContact O-N 2.99Å; T419-K422 PolarHBondContact O-N 2.63Å; K422-M425 CarbonylContact O-C 3.59Å; K422-M425 PolarHBondContact O-N 2.93Å; K422-G426 PolarHBondContact O-N 3.35Å; K422-Q427 HydrophobicContact CB-CB 4.08Å; K422-Q427 HydrophobicContact CG-CB 4.19Å; K422-Q427 PolarHBondContact O-N 2.74Å
423	C	97.5	Very high	96.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-46.9	175.1	-171.9	0	0	0	0	112.2	F179 T419 S420 M421 M425 G426 D428 G433	F179-C423 HydrophobicContact CE1-CB 4.16Å; F179-C423 HydrophobicContact CZ-CB 4.09Å; T419-C423 WeakPolarHBondContact O-CB 3.39Å; T419-C423 PolarHBondContact O-N 3.44Å; S420-C423 WeakPolarHBondContact O-CB 3.47Å; S420-C423 PolarHBondContact O-N 2.93Å; M421-C423 VanDerWaalsContact C-N 3.27Å; M421-C423 PolarHBondContact O-N 3.35Å; C423-M425 VanDerWaalsContact C-N 3.25Å; C423-M425 PolarHBondContact O-N 3.4Å; C423-G426 PolarHBondContact O-N 2.95Å; C423-D428 WeakPolarHBondContact CA-OD2 3.23Å; C423-D428 WeakPolarHBondContact CB-OD2 3.14Å; C423-D428 PolarHBondContact SG-OD2 3.17Å; C423-G433 WeakPolarHBondContact O-CA 3.45Å
424	I	97.4	Very high	96.6	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-38.9	175.1	-62.7	160.9	0	0	0	111.2	L177 F179 F224 F379 S420 M421 G426	L177-I424 HydrophobicContact CD1-CD1 3.49Å; L177-I424 VanDerWaalsContact CD1-CD1 3.49Å; L177-I424 HydrophobicContact CD1-CG1 3.73Å; F179-I424 HydrophobicContact CE2-CD1 3.92Å; F179-I424 HydrophobicContact CE2-CG1 3.69Å; F179-I424 HydrophobicContact CZ-CG1 4.14Å; F224-I424 HydrophobicContact CE2-CB 4.34Å; F224-I424 HydrophobicContact CE2-CG2 3.73Å; F224-I424 HydrophobicContact CZ-CG2 4Å; F379-I424 HydrophobicContact CD1-CD1 3.95Å; F379-I424 HydrophobicContact CE1-CD1 3.67Å; S420-I424 WeakPolarHBondContact O-CD1 3.44Å; S420-I424 VanDerWaalsContact O-CG1 3.26Å; S420-I424 WeakPolarHBondContact O-CG1 3.36Å; S420-I424 PolarHBondContact O-N 3.48Å; M421-I424 PolarHBondContact O-N 2.97Å; I424-G426 VanDerWaalsContact C-N 3.27Å; I424-G426 PolarHBondContact O-N 3.27Å
425	M	97.3	Very high	96.5	Very high	49 Å²	49	42.7 Å²	42.7	24%	0.241	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.8	177.9	-64.8	175.4	80.5	0	0	114.2	L220 R223 F224 M421 K422 C423 Q427	L220-M425 HydrophobicContact CD1-SD 3.74Å; L220-M425 HydrophobicContact CG-SD 4.45Å; R223-M425 HydrophobicContact CB-CE 4.33Å; F224-M425 HydrophobicContact CB-SD 4.18Å; F224-M425 HydrophobicContact CD2-CG 3.53Å; F224-M425 HydrophobicContact CD2-SD 3.81Å; F224-M425 HydrophobicContact CE2-CG 4Å; F224-M425 HydrophobicContact CG-SD 4.49Å; M421-M425 HydrophobicContact CG-SD 4.11Å; M421-M425 WeakPolarHBondContact O-CB 3.42Å; M421-M425 VanDerWaalsContact O-CG 3.24Å; M421-M425 WeakPolarHBondContact O-CG 3.22Å; M421-M425 PolarHBondContact O-N 2.86Å; K422-M425 CarbonylContact O-C 3.59Å; K422-M425 PolarHBondContact O-N 2.93Å; C423-M425 VanDerWaalsContact C-N 3.25Å; C423-M425 PolarHBondContact O-N 3.4Å; M425-Q427 HydrophobicContact CB-CG 3.86Å; M425-Q427 VanDerWaalsContact CE-NE2 3.27Å; M425-Q427 PolarHBondContact O-N 2.84Å
426	G	96.2	Very high	96.5	Very high	37 Å²	37	42.2 Å²	42.2	38%	0.381	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	17.9	-172.5	0	0	0	0	0	114.2	K422 C423 I424 D428 G429	K422-G426 PolarHBondContact O-N 3.35Å; C423-G426 PolarHBondContact O-N 2.95Å; I424-G426 VanDerWaalsContact C-N 3.27Å; I424-G426 PolarHBondContact O-N 3.27Å; G426-D428 VanDerWaalsContact C-N 3.29Å; G426-G429 PolarHBondContact O-N 3.4Å
427	Q	96.2	Very high	96.5	Very high	99 Å²	99	41.7 Å²	41.7	46%	0.463	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.6	179	-68.9	-174.7	-1.9	0	0	113.1	K422 M425	K422-Q427 HydrophobicContact CB-CB 4.08Å; K422-Q427 HydrophobicContact CG-CB 4.19Å; K422-Q427 PolarHBondContact O-N 2.74Å; M425-Q427 HydrophobicContact CB-CG 3.86Å; M425-Q427 VanDerWaalsContact CE-NE2 3.27Å; M425-Q427 PolarHBondContact O-N 2.84Å
428	D	92.7	Very high	96.4	Very high	58 Å²	58	46.8 Å²	46.8	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	0.1	170.4	68.2	-12	0	0	0	112.8	C423 G426 T430	C423-D428 WeakPolarHBondContact CA-OD2 3.23Å; C423-D428 WeakPolarHBondContact CB-OD2 3.14Å; C423-D428 PolarHBondContact SG-OD2 3.17Å; G426-D428 VanDerWaalsContact C-N 3.29Å; D428-T430 VanDerWaalsContact C-N 3.31Å; D428-T430 VanDerWaalsContact CG-OG1 3.27Å; D428-T430 PolarHBondContact OD1-N 3.39Å; D428-T430 PolarHBondContact OD1-OG1 3.03Å; D428-T430 PolarHBondContact OD2-OG1 3.49Å
429	G	92.8	Very high	96.4	Very high	73 Å²	73	50.2 Å²	50.2	75%	0.753	28%	0.281	S	S	*	.	S	Bend	trans	80.2	7.7	-178.6	0	0	0	0	0	114.2	G426	G426-G429 PolarHBondContact O-N 3.4Å
430	T	94.2	Very high	96.4	Very high	66 Å²	66	49.4 Å²	49.4	41%	0.405	28%	0.276	S	S	.	.			trans	-112.1	164.5	-179.4	80.8	0	0	0	0	112.3	D428 L432	D428-T430 VanDerWaalsContact C-N 3.31Å; D428-T430 VanDerWaalsContact CG-OG1 3.27Å; D428-T430 PolarHBondContact OD1-N 3.39Å; D428-T430 PolarHBondContact OD1-OG1 3.03Å; D428-T430 PolarHBondContact OD2-OG1 3.49Å; T430-L432 WeakPolarHBondContact OG1-CB 3.47Å; T430-L432 PolarHBondContact OG1-N 3.1Å
431	S	94.8	Very high	96.4	Very high	68 Å²	68	50.7 Å²	50.7	48%	0.476	29%	0.287	S	S	.	.	S	Bend	trans	-91.6	-0.5	170.9	49.2	0	0	0	0	113.5	G433 K434 E435	S431-G433 PolarHBondContact O-N 3.07Å; S431-K434 PolarHBondContact O-N 3.44Å; S431-K434 VanDerWaalsContact O-N 3.13Å; S431-E435 VanDerWaalsContact CB-OE1 3.28Å; S431-E435 WeakPolarHBondContact CB-OE1 3.33Å; S431-E435 WeakPolarHBondContact O-CG 3.33Å; S431-E435 PolarHBondContact O-N 3.1Å; S431-E435 PolarHBondContact OG-OE1 3.01Å
432	L	94.8	Very high	96.3	Very high	66 Å²	66	54.7 Å²	54.7	35%	0.346	31%	0.305	S	S	.	.	H	α-helix	trans	-56.8	-45.6	-169.2	176.7	64.3	0	0	0	112.5	T430 K434 E435 C436	T430-L432 WeakPolarHBondContact OG1-CB 3.47Å; T430-L432 PolarHBondContact OG1-N 3.1Å; L432-K434 PolarHBondContact O-N 2.88Å; L432-E435 PolarHBondContact O-N 3.34Å; L432-C436 PolarHBondContact O-N 3.41Å; L432-C436 PolarHBondContact O-SG 3.24Å
433	G	95.4	Very high	96.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-42.2	-179.7	0	0	0	0	0	113.1	C423 S431 C436 V437	C423-G433 WeakPolarHBondContact O-CA 3.45Å; S431-G433 PolarHBondContact O-N 3.07Å; G433-C436 PolarHBondContact O-N 3.29Å; G433-V437 WeakPolarHBondContact O-CG2 3.07Å; G433-V437 PolarHBondContact O-N 3.26Å; G433-V437 VanDerWaalsContact O-N 3.09Å
434	K	95.7	Very high	96.4	Very high	145 Å²	145	52.3 Å²	52.3	63%	0.63	30%	0.295	S	S	*	.	H	α-helix	trans	-65.2	-44	176	-175.8	-177.4	176.5	-174.8	0	111.4	S431 L432 C436 V437 Q438	S431-K434 PolarHBondContact O-N 3.44Å; S431-K434 VanDerWaalsContact O-N 3.13Å; L432-K434 PolarHBondContact O-N 2.88Å; K434-C436 VanDerWaalsContact C-N 3.34Å; K434-C436 PolarHBondContact O-N 3.22Å; K434-V437 PolarHBondContact O-N 2.64Å; K434-Q438 PolarHBondContact O-N 3.36Å
435	E	97	Very high	96.3	Very high	104 Å²	104	56.9 Å²	56.9	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-42.6	175.5	-71.4	167.2	-157.2	0	0	111.3	S431 L432 V437 Q438 Q439	S431-E435 VanDerWaalsContact CB-OE1 3.28Å; S431-E435 WeakPolarHBondContact CB-OE1 3.33Å; S431-E435 WeakPolarHBondContact O-CG 3.33Å; S431-E435 PolarHBondContact O-N 3.1Å; S431-E435 PolarHBondContact OG-OE1 3.01Å; L432-E435 PolarHBondContact O-N 3.34Å; E435-V437 PolarHBondContact O-N 3.01Å; E435-Q438 PolarHBondContact O-N 3.33Å; E435-Q439 VanDerWaalsContact O-CB 3.24Å; E435-Q439 WeakPolarHBondContact O-CB 3.39Å; E435-Q439 PolarHBondContact O-N 2.91Å
436	C	97.1	Very high	96.4	Very high	12 Å²	12	56.8 Å²	56.8	8%	0.081	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.6	-70.8	0	0	0	0	112.5	L177 L432 G433 K434 L440 A512	L177-C436 HydrophobicContact CB-CB 4.44Å; L177-C436 HydrophobicContact CD2-CB 3.98Å; L432-C436 PolarHBondContact O-N 3.41Å; L432-C436 PolarHBondContact O-SG 3.24Å; G433-C436 PolarHBondContact O-N 3.29Å; K434-C436 VanDerWaalsContact C-N 3.34Å; K434-C436 PolarHBondContact O-N 3.22Å; C436-L440 WeakPolarHBondContact O-CB 3.49Å; C436-L440 PolarHBondContact O-N 2.9Å; C436-A512 HydrophobicContact CB-CB 3.86Å; C436-A512 WeakPolarHBondContact O-CB 3.41Å
437	V	97.5	Very high	96.5	Very high	11 Å²	11	55 Å²	55	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-45.8	176.7	171.3	0	0	0	0	110.4	L177 G351 G433 K434 E435 L440 A441	L177-V437 HydrophobicContact CD1-CG2 4.39Å; L177-V437 HydrophobicContact CD2-CG2 3.85Å; G351-V437 WeakPolarHBondContact O-CG1 3.31Å; G433-V437 WeakPolarHBondContact O-CG2 3.07Å; G433-V437 PolarHBondContact O-N 3.26Å; G433-V437 VanDerWaalsContact O-N 3.09Å; K434-V437 PolarHBondContact O-N 2.64Å; E435-V437 PolarHBondContact O-N 3.01Å; V437-L440 PolarHBondContact O-N 3.21Å; V437-A441 PolarHBondContact O-N 3.24Å; V437-A441 VanDerWaalsContact O-N 3.15Å
438	Q	97.1	Very high	96.5	Very high	107 Å²	107	50.4 Å²	50.4	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-48.3	178.2	179.6	173	-5.3	0	0	111.8	K434 E435 L440 A441 E442	K434-Q438 PolarHBondContact O-N 3.36Å; E435-Q438 PolarHBondContact O-N 3.33Å; Q438-L440 VanDerWaalsContact C-N 3.31Å; Q438-L440 PolarHBondContact O-N 2.88Å; Q438-A441 PolarHBondContact O-N 3.04Å; Q438-A441 VanDerWaalsContact O-N 3.16Å; Q438-E442 HydrophobicContact CG-CG 4.47Å; Q438-E442 VanDerWaalsContact CG-OE1 3.24Å; Q438-E442 WeakPolarHBondContact CG-OE1 3.42Å; Q438-E442 PolarHBondContact NE2-OE1 2.93Å; Q438-E442 WeakPolarHBondContact O-CG 3.48Å; Q438-E442 PolarHBondContact O-N 3.49Å
439	Q	98	Very high	96.6	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-41.6	178.6	-175.1	67.8	57.4	0	0	111.7	E435 E442 N443 A512	E435-Q439 VanDerWaalsContact O-CB 3.24Å; E435-Q439 WeakPolarHBondContact O-CB 3.39Å; E435-Q439 PolarHBondContact O-N 2.91Å; Q439-E442 PolarHBondContact O-N 2.99Å; Q439-N443 PolarHBondContact NE2-OD1 3.45Å; Q439-N443 WeakPolarHBondContact O-CB 3.48Å; Q439-N443 PolarHBondContact O-N 2.91Å; Q439-N443 PolarHBondContact O-ND2 3.48Å; Q439-A512 HydrophobicContact CB-CB 4.41Å; Q439-A512 WeakPolarHBondContact CG-O 3.31Å
440	L	98.4	Very high	96.8	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-44.7	176.4	176.4	64.5	0	0	0	111.7	L177 A349 C436 V437 Q438 N443 T444 P465 L510 A512	L177-L440 HydrophobicContact CD2-CD2 4.26Å; A349-L440 HydrophobicContact CB-CD2 4.14Å; C436-L440 WeakPolarHBondContact O-CB 3.49Å; C436-L440 PolarHBondContact O-N 2.9Å; V437-L440 PolarHBondContact O-N 3.21Å; Q438-L440 VanDerWaalsContact C-N 3.31Å; Q438-L440 PolarHBondContact O-N 2.88Å; L440-N443 PolarHBondContact O-N 3.3Å; L440-T444 VanDerWaalsContact O-CB 3.26Å; L440-T444 WeakPolarHBondContact O-CB 3.39Å; L440-T444 PolarHBondContact O-N 3.5Å; L440-T444 PolarHBondContact O-OG1 3.43Å; L440-P465 HydrophobicContact CD1-CB 3.94Å; L440-P465 HydrophobicContact CG-CB 4.39Å; L440-L510 HydrophobicContact CD1-CB 4.11Å; L440-L510 WeakPolarHBondContact CD1-O 3.26Å; L440-A512 HydrophobicContact CB-CB 4.29Å
441	A	97.4	Very high	96.9	Very high	28 Å²	28	50.9 Å²	50.9	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-42.4	178.5	0	0	0	0	0	111.6	V437 Q438 T444 R445	V437-A441 PolarHBondContact O-N 3.24Å; V437-A441 VanDerWaalsContact O-N 3.15Å; Q438-A441 PolarHBondContact O-N 3.04Å; Q438-A441 VanDerWaalsContact O-N 3.16Å; A441-T444 PolarHBondContact O-N 3.01Å; A441-R445 PolarHBondContact O-N 3.27Å; A441-R445 VanDerWaalsContact O-N 3.08Å
442	E	97.7	Very high	96.9	Very high	83 Å²	83	50.6 Å²	50.6	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-48.5	175.8	-71.4	174.2	-169.6	0	0	111.9	Q438 Q439 T444 R445 Y446	Q438-E442 HydrophobicContact CG-CG 4.47Å; Q438-E442 VanDerWaalsContact CG-OE1 3.24Å; Q438-E442 WeakPolarHBondContact CG-OE1 3.42Å; Q438-E442 PolarHBondContact NE2-OE1 2.93Å; Q438-E442 WeakPolarHBondContact O-CG 3.48Å; Q438-E442 PolarHBondContact O-N 3.49Å; Q439-E442 PolarHBondContact O-N 2.99Å; E442-T444 VanDerWaalsContact C-N 3.29Å; E442-T444 PolarHBondContact O-N 3.05Å; E442-R445 PolarHBondContact O-N 3Å; E442-Y446 WeakPolarHBondContact O-CB 3.47Å; E442-Y446 PolarHBondContact O-N 3.05Å
443	N	98.4	Very high	96.8	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.032	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-42.7	176.4	-77.3	-8	0	0	0	111.9	Q439 L440 F447 S511 H514 L519	Q439-N443 PolarHBondContact NE2-OD1 3.45Å; Q439-N443 WeakPolarHBondContact O-CB 3.48Å; Q439-N443 PolarHBondContact O-N 2.91Å; Q439-N443 PolarHBondContact O-ND2 3.48Å; L440-N443 PolarHBondContact O-N 3.3Å; N443-F447 VanDerWaalsContact O-CB 3.23Å; N443-F447 WeakPolarHBondContact O-CB 3.23Å; N443-F447 PolarHBondContact O-N 3.25Å; N443-S511 PolarHBondContact ND2-O 2.95Å; N443-H514 PolarHBondContact ND2-O 3.45Å; N443-L519 HydrophobicContact CB-CD1 3.83Å
444	T	97.4	Very high	96.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-55	179.6	-63.7	0	0	0	0	111	L440 A441 E442 Y446 F447 R448 S464	L440-T444 VanDerWaalsContact O-CB 3.26Å; L440-T444 WeakPolarHBondContact O-CB 3.39Å; L440-T444 PolarHBondContact O-N 3.5Å; L440-T444 PolarHBondContact O-OG1 3.43Å; A441-T444 PolarHBondContact O-N 3.01Å; E442-T444 VanDerWaalsContact C-N 3.29Å; E442-T444 PolarHBondContact O-N 3.05Å; T444-Y446 VanDerWaalsContact C-N 3.32Å; T444-Y446 PolarHBondContact O-N 2.96Å; T444-F447 PolarHBondContact O-N 3.46Å; T444-R448 WeakPolarHBondContact O-CB 3.43Å; T444-R448 VanDerWaalsContact O-CG 3.24Å; T444-R448 WeakPolarHBondContact O-CG 3.49Å; T444-R448 PolarHBondContact O-N 2.91Å; T444-S464 VanDerWaalsContact CG2-C 3.41Å; T444-S464 WeakPolarHBondContact CG2-O 3.27Å
445	R	96.8	Very high	96.8	Very high	109 Å²	109	45.8 Å²	45.8	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-62.1	-41.1	179.2	-73.2	-171.3	-72.4	-107	1.4	111.9	A441 E442 R449 D463	A441-R445 PolarHBondContact O-N 3.27Å; A441-R445 VanDerWaalsContact O-N 3.08Å; E442-R445 PolarHBondContact O-N 3Å; R445-R449 VanDerWaalsContact O-CB 3.24Å; R445-R449 WeakPolarHBondContact O-CB 3.49Å; R445-R449 PolarHBondContact O-N 3.45Å; R445-D463 IonicContact CZ-OD1 3.43Å; R445-D463 IonicContact NH1-OD1 3.39Å; R445-D463 PolarHBondContact NH1-OD1 3.33Å
446	Y	98.1	Very high	96.7	Very high	47 Å²	47	41 Å²	41	18%	0.184	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-56.4	176.3	177	-111.2	0	0	0	111.5	E442 T444 R448 R449 R450 K516 L519 D520 L523	E442-Y446 WeakPolarHBondContact O-CB 3.47Å; E442-Y446 PolarHBondContact O-N 3.05Å; T444-Y446 VanDerWaalsContact C-N 3.32Å; T444-Y446 PolarHBondContact O-N 2.96Å; Y446-R448 PolarHBondContact O-N 2.95Å; Y446-R449 PolarHBondContact O-N 2.84Å; Y446-R450 HydrophobicContact CD2-CG 4.13Å; Y446-R450 HydrophobicContact CE1-CG 4.27Å; Y446-R450 HydrophobicContact CE2-CG 3.7Å; Y446-R450 VanDerWaalsContact O-CG 3.3Å; Y446-R450 WeakPolarHBondContact O-CG 3.28Å; Y446-R450 PolarHBondContact O-N 2.94Å; Y446-K516 HydrophobicContact CE1-CG 4.42Å; Y446-L519 HydrophobicContact CD1-CB 4.35Å; Y446-L519 HydrophobicContact CD1-CD1 4.03Å; Y446-L519 HydrophobicContact CE1-CB 4.2Å; Y446-D520 WeakPolarHBondContact CE1-OD1 3.46Å; Y446-D520 VanDerWaalsContact CZ-OD1 3.3Å; Y446-D520 PolarHBondContact OH-OD1 3.03Å; Y446-L523 HydrophobicContact CE1-CD1 3.85Å
447	F	98.3	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-43.8	-175.6	-171.9	-100.2	0	0	0	112	M171 N443 T444 R450 L451 V467 F508 L510 L519 L523 I526	M171-F447 HydrophobicContact CE-CD2 4.24Å; M171-F447 HydrophobicContact CE-CE1 4.32Å; M171-F447 HydrophobicContact CE-CE2 3.64Å; M171-F447 HydrophobicContact CE-CZ 3.68Å; N443-F447 VanDerWaalsContact O-CB 3.23Å; N443-F447 WeakPolarHBondContact O-CB 3.23Å; N443-F447 PolarHBondContact O-N 3.25Å; T444-F447 PolarHBondContact O-N 3.46Å; F447-R450 PolarHBondContact O-N 2.88Å; F447-L451 HydrophobicContact CD1-CD1 3.83Å; F447-L451 HydrophobicContact CD1-CG 4.38Å; F447-L451 HydrophobicContact CE1-CD1 3.41Å; F447-L451 VanDerWaalsContact CE1-CD1 3.41Å; F447-L451 HydrophobicContact CE1-CG 4.16Å; F447-L451 HydrophobicContact CZ-CD1 4.03Å; F447-L451 HydrophobicContact CZ-CG 4.45Å; F447-L451 WeakPolarHBondContact O-CG 3.4Å; F447-L451 PolarHBondContact O-N 3.05Å; F447-V467 HydrophobicContact CD1-CG1 4.31Å; F447-V467 HydrophobicContact CD1-CG2 4.49Å; F447-V467 HydrophobicContact CE1-CG1 4.38Å; F447-F508 HydrophobicContact CE1-CB 3.89Å; F447-F508 HydrophobicContact CE1-CD1 4.35Å; F447-F508 HydrophobicContact CE1-CD2 4.22Å; F447-F508 AromaticContact CE1-CG 3.91Å; F447-F508 HydrophobicContact CE1-CG 3.91Å; F447-F508 HydrophobicContact CZ-CB 4.39Å; F447-F508 HydrophobicContact CZ-CD1 4.06Å; F447-F508 HydrophobicContact CZ-CE1 4.47Å; F447-F508 HydrophobicContact CZ-CG 4.08Å; F447-L510 HydrophobicContact CB-CD1 4.04Å; F447-L510 HydrophobicContact CB-CG 4.44Å; F447-L510 HydrophobicContact CD1-CD1 3.98Å; F447-L510 HydrophobicContact CD1-CD2 4.14Å; F447-L510 HydrophobicContact CD2-CD1 4.32Å; F447-L510 HydrophobicContact CG-CD1 3.87Å; F447-L519 HydrophobicContact CD2-CD2 4.08Å; F447-L523 HydrophobicContact CD2-CD1 4.11Å; F447-L523 HydrophobicContact CD2-CD2 3.63Å; F447-L523 HydrophobicContact CD2-CG 3.7Å; F447-L523 HydrophobicContact CE2-CD2 3.59Å; F447-L523 HydrophobicContact CE2-CG 3.72Å; F447-L523 HydrophobicContact CG-CD2 4.35Å; F447-L523 HydrophobicContact CZ-CD2 4.29Å; F447-I526 HydrophobicContact CE2-CD1 4Å; F447-I526 HydrophobicContact CZ-CD1 3.57Å
448	R	96.4	Very high	96.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-48.1	177.3	-70.4	-178.1	67.7	89.9	4.1	112.1	T444 Y446 R450 L451 K452 I458 Y459 G460 N461 E462 V467	T444-R448 WeakPolarHBondContact O-CB 3.43Å; T444-R448 VanDerWaalsContact O-CG 3.24Å; T444-R448 WeakPolarHBondContact O-CG 3.49Å; T444-R448 PolarHBondContact O-N 2.91Å; Y446-R448 PolarHBondContact O-N 2.95Å; R448-R450 PolarHBondContact O-N 3.2Å; R448-L451 PolarHBondContact O-N 3.33Å; R448-K452 WeakPolarHBondContact O-CG 3.5Å; R448-K452 PolarHBondContact O-N 3.08Å; R448-K452 VanDerWaalsContact O-N 3.08Å; R448-I458 HydrophobicContact CB-CD1 3.81Å; R448-I458 HydrophobicContact CG-CD1 4.05Å; R448-Y459 PolarHBondContact NH1-O 3.43Å; R448-Y459 PolarHBondContact NH2-O 3.34Å; R448-Y459 VanDerWaalsContact NH2-O 3.13Å; R448-G460 PolarHBondContact NH2-O 3.26Å; R448-N461 PolarHBondContact NE-O 3.27Å; R448-N461 PolarHBondContact NH1-O 3.43Å; R448-N461 PolarHBondContact NH2-O 2.91Å; R448-E462 WeakPolarHBondContact CD-O 3.43Å; R448-E462 IonicContact CZ-OE1 3.81Å; R448-E462 IonicContact NE-OE1 3.82Å; R448-E462 PolarHBondContact NE-OE1 3.06Å; R448-E462 VanDerWaalsContact NE-OE1 3.09Å; R448-E462 IonicContact NH2-OE1 2.75Å; R448-E462 PolarHBondContact NH2-OE1 3.12Å; R448-V467 HydrophobicContact CG-CB 4.37Å; R448-V467 HydrophobicContact CG-CG1 3.96Å; R448-V467 HydrophobicContact CG-CG2 3.43Å; R448-V467 VanDerWaalsContact CG-CG2 3.43Å
449	R	95.2	Very high	96.2	Very high	120 Å²	120	36.6 Å²	36.6	45%	0.453	16%	0.164	S	C	.	.	H	α-helix	trans	-57.2	-48.2	177.4	179.9	175.7	65.5	104.3	-11.4	111.4	R445 Y446 L451 K452 E453	R445-R449 VanDerWaalsContact O-CB 3.24Å; R445-R449 WeakPolarHBondContact O-CB 3.49Å; R445-R449 PolarHBondContact O-N 3.45Å; Y446-R449 PolarHBondContact O-N 2.84Å; R449-L451 PolarHBondContact O-N 3.3Å; R449-K452 PolarHBondContact O-N 3.36Å; R449-E453 HydrophobicContact CG-CG 4.38Å; R449-E453 VanDerWaalsContact CG-OE1 3.25Å; R449-E453 WeakPolarHBondContact CG-OE1 3.42Å; R449-E453 IonicContact CZ-OE1 2.7Å; R449-E453 IonicContact NE-OE1 3.37Å; R449-E453 IonicContact NH1-OE1 3.67Å; R449-E453 PolarHBondContact NH1-OE1 3.3Å; R449-E453 IonicContact NH1-OE2 2.76Å; R449-E453 WeakPolarHBondContact O-CG 3.2Å; R449-E453 PolarHBondContact O-N 3.46Å
450	R	97.4	Very high	95.8	Very high	87 Å²	87	33.5 Å²	33.5	33%	0.328	15%	0.151	S	C	.	.	H	α-helix	trans	-61.8	-41.4	179.9	-65.6	-58.1	-62	168.8	-6	112.6	Y446 F447 R448 K452 E453 M454 L523	Y446-R450 HydrophobicContact CD2-CG 4.13Å; Y446-R450 HydrophobicContact CE1-CG 4.27Å; Y446-R450 HydrophobicContact CE2-CG 3.7Å; Y446-R450 VanDerWaalsContact O-CG 3.3Å; Y446-R450 WeakPolarHBondContact O-CG 3.28Å; Y446-R450 PolarHBondContact O-N 2.94Å; F447-R450 PolarHBondContact O-N 2.88Å; R448-R450 PolarHBondContact O-N 3.2Å; R450-K452 PolarHBondContact O-N 3.02Å; R450-E453 WeakPolarHBondContact CD-OE2 3.24Å; R450-E453 IonicContact CZ-OE2 3.5Å; R450-E453 IonicContact NE-OE2 3.6Å; R450-E453 IonicContact NH1-OE2 3.64Å; R450-E453 PolarHBondContact NH1-OE2 3.5Å; R450-E453 PolarHBondContact O-N 3.31Å; R450-M454 WeakPolarHBondContact O-CG 3.09Å; R450-M454 PolarHBondContact O-N 3.31Å; R450-L523 HydrophobicContact CB-CD1 3.58Å; R450-L523 HydrophobicContact CB-CD2 3.79Å; R450-L523 HydrophobicContact CB-CG 4.31Å; R450-L523 HydrophobicContact CG-CD1 3.77Å
451	L	96.7	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-39.8	175.2	-71.6	-179.8	0	0	0	112.7	F447 R448 R449 M454 G455 F456 I458 V467 L469 L523 I526	F447-L451 HydrophobicContact CD1-CD1 3.83Å; F447-L451 HydrophobicContact CD1-CG 4.38Å; F447-L451 HydrophobicContact CE1-CD1 3.41Å; F447-L451 VanDerWaalsContact CE1-CD1 3.41Å; F447-L451 HydrophobicContact CE1-CG 4.16Å; F447-L451 HydrophobicContact CZ-CD1 4.03Å; F447-L451 HydrophobicContact CZ-CG 4.45Å; F447-L451 WeakPolarHBondContact O-CG 3.4Å; F447-L451 PolarHBondContact O-N 3.05Å; R448-L451 PolarHBondContact O-N 3.33Å; R449-L451 PolarHBondContact O-N 3.3Å; L451-M454 HydrophobicContact CD2-SD 4.48Å; L451-M454 PolarHBondContact O-N 3.31Å; L451-G455 PolarHBondContact O-N 3.32Å; L451-F456 HydrophobicContact CB-CD2 4.43Å; L451-F456 HydrophobicContact CD2-CD2 3.91Å; L451-F456 HydrophobicContact CD2-CE2 4.22Å; L451-F456 WeakPolarHBondContact O-CB 3.35Å; L451-F456 WeakPolarHBondContact O-CD2 3.37Å; L451-F456 PolarHBondContact O-N 2.75Å; L451-F456 VanDerWaalsContact O-N 3.12Å; L451-I458 HydrophobicContact CB-CG2 4.08Å; L451-I458 HydrophobicContact CD1-CG2 4.02Å; L451-V467 HydrophobicContact CD1-CG1 3.92Å; L451-L469 HydrophobicContact CD1-CD1 4.25Å; L451-L469 HydrophobicContact CD2-CD1 4.06Å; L451-L523 HydrophobicContact CD2-CD2 3.74Å; L451-L523 HydrophobicContact CG-CD2 3.92Å; L451-I526 HydrophobicContact CD2-CD1 4.38Å; L451-I526 HydrophobicContact CD2-CG2 3.74Å
452	K	93.8	Very high	95.3	Very high	63 Å²	63	35.9 Å²	35.9	27%	0.274	16%	0.158	S	C	.	.	H	α-helix	trans	-66	-44.1	175.3	-67.9	-179.6	-178.7	175.2	0	111.9	R448 R449 R450 M454 G455 I458 E462 L542	R448-K452 WeakPolarHBondContact O-CG 3.5Å; R448-K452 PolarHBondContact O-N 3.08Å; R448-K452 VanDerWaalsContact O-N 3.08Å; R449-K452 PolarHBondContact O-N 3.36Å; R450-K452 PolarHBondContact O-N 3.02Å; K452-M454 PolarHBondContact O-N 3.34Å; K452-G455 PolarHBondContact O-N 2.83Å; K452-I458 HydrophobicContact CD-CD1 4.38Å; K452-I458 HydrophobicContact CG-CD1 3.83Å; K452-I458 HydrophobicContact CG-CG1 3.97Å; K452-E462 WeakPolarHBondContact CE-OE1 3.49Å; K452-E462 IonicContact NZ-OE1 2.71Å; K452-E462 PolarHBondContact NZ-OE1 3.17Å; K452-E462 IonicContact NZ-OE2 2.96Å; K452-E462 PolarHBondContact NZ-OE2 3.43Å; K452-L542 HydrophobicContact CB-CD1 3.61Å; K452-L542 HydrophobicContact CD-CD1 4.39Å
453	E	93.9	Very high	95.1	Very high	62 Å²	62	32.9 Å²	32.9	29%	0.29	15%	0.145	S	C	.	.	H	α-helix	trans	-60	-32	175.8	-71.4	168.9	-178.7	0	0	112.1	R449 R450 G455	R449-E453 HydrophobicContact CG-CG 4.38Å; R449-E453 VanDerWaalsContact CG-OE1 3.25Å; R449-E453 WeakPolarHBondContact CG-OE1 3.42Å; R449-E453 IonicContact CZ-OE1 2.7Å; R449-E453 IonicContact NE-OE1 3.37Å; R449-E453 IonicContact NH1-OE1 3.67Å; R449-E453 PolarHBondContact NH1-OE1 3.3Å; R449-E453 IonicContact NH1-OE2 2.76Å; R449-E453 WeakPolarHBondContact O-CG 3.2Å; R449-E453 PolarHBondContact O-N 3.46Å; R450-E453 WeakPolarHBondContact CD-OE2 3.24Å; R450-E453 IonicContact CZ-OE2 3.5Å; R450-E453 IonicContact NE-OE2 3.6Å; R450-E453 IonicContact NH1-OE2 3.64Å; R450-E453 PolarHBondContact NH1-OE2 3.5Å; R450-E453 PolarHBondContact O-N 3.31Å; E453-G455 PolarHBondContact O-N 2.92Å
454	M	95.4	Very high	95	Very high	31 Å²	31	32.6 Å²	32.6	15%	0.153	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.9	173.8	-70.2	166.6	171.6	0	0	113.9	R450 L451 K452 F456 L523 D527 K536	R450-M454 WeakPolarHBondContact O-CG 3.09Å; R450-M454 PolarHBondContact O-N 3.31Å; L451-M454 HydrophobicContact CD2-SD 4.48Å; L451-M454 PolarHBondContact O-N 3.31Å; K452-M454 PolarHBondContact O-N 3.34Å; M454-F456 HydrophobicContact CB-CD2 3.72Å; M454-F456 HydrophobicContact CB-CE2 3.72Å; M454-F456 HydrophobicContact SD-CE2 4.22Å; M454-L523 HydrophobicContact CE-CB 3.97Å; M454-L523 HydrophobicContact SD-CD2 4.34Å; M454-D527 HydrophobicContact CE-CB 3.95Å; M454-D527 HydrophobicContact SD-CB 3.91Å; M454-K536 WeakPolarHBondContact O-CD 3.21Å; M454-K536 WeakPolarHBondContact O-CE 3.47Å; M454-K536 WeakPolarHBondContact O-CG 3.33Å
455	G	94.8	Very high	94.9	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	16.4	177.8	0	0	0	0	0	115.1	L451 K452 E453 K536 Y537 S538	L451-G455 PolarHBondContact O-N 3.32Å; K452-G455 PolarHBondContact O-N 2.83Å; E453-G455 PolarHBondContact O-N 2.92Å; G455-K536 CarbonylContact O-C 3.52Å; G455-K536 WeakPolarHBondContact O-CA 3.5Å; G455-Y537 PolarHBondContact O-N 2.59Å; G455-S538 WeakPolarHBondContact O-CB 3.48Å; G455-S538 PolarHBondContact O-N 2.89Å
456	F	95.4	Very high	95	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	12%	0.123	C	C	.	.			trans	-80.7	146.7	172.6	-64	-77.3	0	0	0	111.8	L451 M454 I458 L469 I526 L535 K536	L451-F456 HydrophobicContact CB-CD2 4.43Å; L451-F456 HydrophobicContact CD2-CD2 3.91Å; L451-F456 HydrophobicContact CD2-CE2 4.22Å; L451-F456 WeakPolarHBondContact O-CB 3.35Å; L451-F456 WeakPolarHBondContact O-CD2 3.37Å; L451-F456 PolarHBondContact O-N 2.75Å; L451-F456 VanDerWaalsContact O-N 3.12Å; M454-F456 HydrophobicContact CB-CD2 3.72Å; M454-F456 HydrophobicContact CB-CE2 3.72Å; M454-F456 HydrophobicContact SD-CE2 4.22Å; F456-I458 HydrophobicContact CB-CG2 4.42Å; F456-L469 HydrophobicContact CB-CD1 4.15Å; F456-L469 HydrophobicContact CB-CG 4.2Å; F456-L469 HydrophobicContact CD1-CD1 3.76Å; F456-L469 HydrophobicContact CD1-CD2 4Å; F456-L469 HydrophobicContact CD1-CG 4.06Å; F456-L469 HydrophobicContact CD2-CD1 4.26Å; F456-L469 HydrophobicContact CE1-CD1 4.16Å; F456-L469 HydrophobicContact CE1-CD2 4.47Å; F456-L469 HydrophobicContact CG-CD1 3.8Å; F456-L469 HydrophobicContact CG-CG 4.25Å; F456-I526 HydrophobicContact CE1-CG2 4.49Å; F456-I526 HydrophobicContact CE2-CG2 3.84Å; F456-I526 HydrophobicContact CZ-CG2 3.77Å; F456-L535 HydrophobicContact CD1-CB 4.25Å; F456-L535 HydrophobicContact CE1-CB 3.88Å; F456-K536 HydrophobicContact CD1-CG 4.48Å; F456-K536 HydrophobicContact CE1-CG 4.2Å; F456-K536 HydrophobicContact CZ-CG 4.25Å
457	I	94.3	Very high	94.9	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	12%	0.115	C	C	.	.			trans	-86.3	120.8	165.4	-59.9	176.7	0	0	0	107.6	E62 P65 Y459 M470 Y472	E62-I457 HydrophobicContact CB-CD1 4.39Å; E62-I457 HydrophobicContact CB-CG1 4.46Å; E62-I457 HydrophobicContact CB-CG2 4.29Å; E62-I457 HydrophobicContact CG-CD1 4.18Å; P65-I457 HydrophobicContact CG-CD1 4.1Å; I457-Y459 HydrophobicContact CG2-CD1 4.29Å; I457-Y459 HydrophobicContact CG2-CE1 3.94Å; I457-M470 HydrophobicContact CB-CB 4.38Å; I457-M470 HydrophobicContact CB-CG 4.32Å; I457-M470 HydrophobicContact CG2-CB 4.46Å; I457-M470 HydrophobicContact CG2-CG 3.91Å; I457-M470 PolarHBondContact O-N 2.85Å; I457-Y472 HydrophobicContact CD1-CE2 4.43Å; I457-Y472 WeakPolarHBondContact CD1-OH 3.28Å
458	I	93.9	Very high	94.8	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.062	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-121.7	144.8	174.8	66.3	173.4	0	0	0	110.7	R448 L451 K452 F456 V467 P468 L469	R448-I458 HydrophobicContact CB-CD1 3.81Å; R448-I458 HydrophobicContact CG-CD1 4.05Å; L451-I458 HydrophobicContact CB-CG2 4.08Å; L451-I458 HydrophobicContact CD1-CG2 4.02Å; K452-I458 HydrophobicContact CD-CD1 4.38Å; K452-I458 HydrophobicContact CG-CD1 3.83Å; K452-I458 HydrophobicContact CG-CG1 3.97Å; F456-I458 HydrophobicContact CB-CG2 4.42Å; I458-V467 HydrophobicContact CB-CG1 4.44Å; I458-V467 HydrophobicContact CD1-CG1 4.2Å; I458-V467 HydrophobicContact CG2-CG1 4.39Å; I458-P468 CarbonylContact C-O 3.47Å; I458-P468 VanDerWaalsContact CA-O 3.22Å; I458-P468 WeakPolarHBondContact CA-O 3.34Å; I458-L469 HydrophobicContact CG2-CB 4.29Å; I458-L469 HydrophobicContact CG2-CG 4.48Å
459	Y	91.8	Very high	94.8	Very high	20 Å²	20	25 Å²	25	8%	0.078	11%	0.114	C	C	.	.			trans	-99.2	173.4	177.7	-74.6	7.9	0	0	0	111.8	F61 E319 R448 I457 P468 M470	F61-Y459 HydrophobicContact CB-CD1 3.95Å; F61-Y459 HydrophobicContact CB-CE1 3.93Å; F61-Y459 HydrophobicContact CD1-CD1 4.08Å; F61-Y459 HydrophobicContact CD1-CG 4.24Å; F61-Y459 HydrophobicContact CG-CD1 4.03Å; F61-Y459 HydrophobicContact CG-CE1 4.42Å; F61-Y459 HydrophobicContact CG-CG 4.28Å; E319-Y459 CarbonylContact O-C 3.55Å; R448-Y459 PolarHBondContact NH1-O 3.43Å; R448-Y459 PolarHBondContact NH2-O 3.34Å; R448-Y459 VanDerWaalsContact NH2-O 3.13Å; I457-Y459 HydrophobicContact CG2-CD1 4.29Å; I457-Y459 HydrophobicContact CG2-CE1 3.94Å; Y459-P468 PolarHBondContact N-O 3.14Å; Y459-P468 VanDerWaalsContact O-CD 3.29Å; Y459-P468 WeakPolarHBondContact O-CD 3.45Å; Y459-M470 HydrophobicContact CD1-CG 3.88Å; Y459-M470 HydrophobicContact CD1-SD 3.89Å; Y459-M470 HydrophobicContact CD2-CE 4.2Å; Y459-M470 HydrophobicContact CD2-SD 3.71Å; Y459-M470 HydrophobicContact CE1-CE 4.31Å; Y459-M470 HydrophobicContact CE1-CG 3.68Å; Y459-M470 HydrophobicContact CE1-SD 3.9Å; Y459-M470 HydrophobicContact CE2-CE 3.64Å; Y459-M470 HydrophobicContact CE2-SD 3.73Å; Y459-M470 HydrophobicContact CG-CG 4.39Å; Y459-M470 HydrophobicContact CG-SD 3.79Å
460	G	90.6	Very high	94.8	Very high	6 Å²	6	19.3 Å²	19.3	6%	0.062	9%	0.093	C	C	.	.	S	Bend	trans	82.9	176.9	176.1	0	0	0	0	0	115.2	F61 E319 G320 R448	F61-G460 WeakPolarHBondContact CE1-O 2.97Å; E319-G460 WeakPolarHBondContact O-CA 3.27Å; E319-G460 PolarHBondContact O-N 2.94Å; G320-G460 CarbonylContact O-C 3.42Å; G320-G460 VanDerWaalsContact O-CA 3.27Å; G320-G460 WeakPolarHBondContact O-CA 3.48Å; R448-G460 PolarHBondContact NH2-O 3.26Å
461	N	92.8	Very high	94.8	Very high	14 Å²	14	15.2 Å²	15.2	8%	0.075	8%	0.077	C	C	.	.			trans	-75.1	151.1	179.8	-166.4	-72.6	0	0	0	111.8	E59 G320 I322 R448 D463 S464	E59-N461 PolarHBondContact OE1-ND2 3.16Å; G320-N461 PolarHBondContact O-N 3.29Å; I322-N461 HydrophobicContact CB-CB 4.22Å; I322-N461 HydrophobicContact CD1-CB 3.73Å; I322-N461 HydrophobicContact CG1-CB 3.74Å; R448-N461 PolarHBondContact NE-O 3.27Å; R448-N461 PolarHBondContact NH1-O 3.43Å; R448-N461 PolarHBondContact NH2-O 2.91Å; N461-D463 PolarHBondContact O-N 3.38Å; N461-D463 PolarHBondContact OD1-N 2.86Å; N461-S464 WeakPolarHBondContact O-CB 3.47Å; N461-S464 PolarHBondContact O-N 3.35Å; N461-S464 VanDerWaalsContact O-N 3.13Å
462	E	91.9	Very high	94.6	Very high	65 Å²	65	15.2 Å²	15.2	30%	0.304	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.5	177.7	-67.5	-53.7	99.5	0	0	114.6	R448 K452	R448-E462 WeakPolarHBondContact CD-O 3.43Å; R448-E462 IonicContact CZ-OE1 3.81Å; R448-E462 IonicContact NE-OE1 3.82Å; R448-E462 PolarHBondContact NE-OE1 3.06Å; R448-E462 VanDerWaalsContact NE-OE1 3.09Å; R448-E462 IonicContact NH2-OE1 2.75Å; R448-E462 PolarHBondContact NH2-OE1 3.12Å; K452-E462 WeakPolarHBondContact CE-OE1 3.49Å; K452-E462 IonicContact NZ-OE1 2.71Å; K452-E462 PolarHBondContact NZ-OE1 3.17Å; K452-E462 IonicContact NZ-OE2 2.96Å; K452-E462 PolarHBondContact NZ-OE2 3.43Å
463	D	94	Very high	94.6	Very high	21 Å²	21	14.4 Å²	14.4	11%	0.112	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.3	178.6	-66.5	-44.6	0	0	0	112.6	I322 L350 Y360 R445 N461	I322-D463 HydrophobicContact CD1-CB 4.42Å; L350-D463 HydrophobicContact CD2-CB 4.29Å; L350-D463 VanDerWaalsContact CD2-O 3.27Å; L350-D463 WeakPolarHBondContact CD2-O 3.46Å; Y360-D463 HydrophobicContact CE2-CB 3.91Å; Y360-D463 WeakPolarHBondContact CE2-OD2 3.4Å; Y360-D463 PolarHBondContact OH-OD2 3.07Å; R445-D463 IonicContact CZ-OD1 3.43Å; R445-D463 IonicContact NH1-OD1 3.39Å; R445-D463 PolarHBondContact NH1-OD1 3.33Å; N461-D463 PolarHBondContact O-N 3.38Å; N461-D463 PolarHBondContact OD1-N 2.86Å
464	S	95.9	Very high	94.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.			trans	-81.5	123.9	-178.3	-178.2	0	0	0	0	112.1	G320 T444 N461 V466	G320-S464 WeakPolarHBondContact O-CB 3.32Å; G320-S464 PolarHBondContact O-OG 2.77Å; T444-S464 VanDerWaalsContact CG2-C 3.41Å; T444-S464 WeakPolarHBondContact CG2-O 3.27Å; N461-S464 WeakPolarHBondContact O-CB 3.47Å; N461-S464 PolarHBondContact O-N 3.35Å; N461-S464 VanDerWaalsContact O-N 3.13Å; S464-V466 PolarHBondContact O-N 3.46Å; S464-V466 VanDerWaalsContact O-N 3.12Å; S464-V466 PolarHBondContact OG-N 3.18Å
465	P	96.8	Very high	94.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-73.4	-1.2	178.6	34.3	-39.5	0	0	0	113	Y176 I315 A349 L440 C509 L510	Y176-P465 HydrophobicContact CD1-CB 3.78Å; Y176-P465 HydrophobicContact CD1-CG 3.72Å; Y176-P465 HydrophobicContact CE1-CB 3.74Å; Y176-P465 HydrophobicContact CE1-CG 3.52Å; Y176-P465 HydrophobicContact CG-CG 4.5Å; I315-P465 HydrophobicContact CD1-CG 4.5Å; A349-P465 HydrophobicContact CB-CG 3.94Å; L440-P465 HydrophobicContact CD1-CB 3.94Å; L440-P465 HydrophobicContact CG-CB 4.39Å; P465-C509 WeakPolarHBondContact O-CA 3.41Å; P465-L510 HydrophobicContact CB-CB 4.41Å; P465-L510 WeakPolarHBondContact O-CD2 3.36Å; P465-L510 PolarHBondContact O-N 3.31Å
466	V	97.3	Very high	94.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114	168.8	179.9	0	0	0	0	107.7	Y176 I315 S464 P468 R507	Y176-V466 WeakPolarHBondContact OH-CG2 3.37Å; I315-V466 HydrophobicContact CG2-CG2 4.27Å; S464-V466 PolarHBondContact O-N 3.46Å; S464-V466 VanDerWaalsContact O-N 3.12Å; S464-V466 PolarHBondContact OG-N 3.18Å; V466-P468 HydrophobicContact CG1-CG 4.43Å; V466-P468 WeakPolarHBondContact O-CD 3.35Å; V466-R507 HydrophobicContact CG1-CG 3.78Å
467	V	97	Very high	94.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	95.5	-176	-177.2	0	0	0	0	109.2	F447 R448 L451 I458 F508 L510	F447-V467 HydrophobicContact CD1-CG1 4.31Å; F447-V467 HydrophobicContact CD1-CG2 4.49Å; F447-V467 HydrophobicContact CE1-CG1 4.38Å; R448-V467 HydrophobicContact CG-CB 4.37Å; R448-V467 HydrophobicContact CG-CG1 3.96Å; R448-V467 HydrophobicContact CG-CG2 3.43Å; R448-V467 VanDerWaalsContact CG-CG2 3.43Å; L451-V467 HydrophobicContact CD1-CG1 3.92Å; I458-V467 HydrophobicContact CB-CG1 4.44Å; I458-V467 HydrophobicContact CD1-CG1 4.2Å; I458-V467 HydrophobicContact CG2-CG1 4.39Å; V467-F508 HydrophobicContact CB-CB 4.26Å; V467-F508 PolarHBondContact N-O 2.82Å; V467-F508 PolarHBondContact O-N 3.4Å; V467-L510 HydrophobicContact CB-CD2 4.14Å; V467-L510 HydrophobicContact CG2-CD2 3.38Å
468	P	95.9	Very high	94.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.4	176.7	-1.5	21.3	0	0	0	110.3	M318 E319 I458 Y459 V466 R505 A506	M318-P468 WeakPolarHBondContact O-CG 3.37Å; E319-P468 WeakPolarHBondContact O-CG 3.45Å; I458-P468 CarbonylContact C-O 3.47Å; I458-P468 VanDerWaalsContact CA-O 3.22Å; I458-P468 WeakPolarHBondContact CA-O 3.34Å; Y459-P468 PolarHBondContact N-O 3.14Å; Y459-P468 VanDerWaalsContact O-CD 3.29Å; Y459-P468 WeakPolarHBondContact O-CD 3.45Å; V466-P468 HydrophobicContact CG1-CG 4.43Å; V466-P468 WeakPolarHBondContact O-CD 3.35Å; P468-R505 HydrophobicContact CB-CB 4.37Å; P468-R505 HydrophobicContact CB-CG 4.21Å; P468-A506 WeakPolarHBondContact CA-O 3.34Å
469	L	96.6	Very high	94.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.1	173.2	-176.9	160.6	0	0	0	109.7	L451 F456 I458 L471 R505 A506 F508 I526	L451-L469 HydrophobicContact CD1-CD1 4.25Å; L451-L469 HydrophobicContact CD2-CD1 4.06Å; F456-L469 HydrophobicContact CB-CD1 4.15Å; F456-L469 HydrophobicContact CB-CG 4.2Å; F456-L469 HydrophobicContact CD1-CD1 3.76Å; F456-L469 HydrophobicContact CD1-CD2 4Å; F456-L469 HydrophobicContact CD1-CG 4.06Å; F456-L469 HydrophobicContact CD2-CD1 4.26Å; F456-L469 HydrophobicContact CE1-CD1 4.16Å; F456-L469 HydrophobicContact CE1-CD2 4.47Å; F456-L469 HydrophobicContact CG-CD1 3.8Å; F456-L469 HydrophobicContact CG-CG 4.25Å; I458-L469 HydrophobicContact CG2-CB 4.29Å; I458-L469 HydrophobicContact CG2-CG 4.48Å; L469-L471 HydrophobicContact CD2-CD2 3.73Å; L469-L471 PolarHBondContact O-N 2.58Å; L469-R505 CarbonylContact O-C 3.52Å; L469-R505 WeakPolarHBondContact O-CA 3.32Å; L469-R505 VanDerWaalsContact O-CB 3.28Å; L469-R505 WeakPolarHBondContact O-CB 3.31Å; L469-A506 PolarHBondContact N-O 2.83Å; L469-A506 PolarHBondContact O-N 3.31Å; L469-F508 HydrophobicContact CB-CD2 4.17Å; L469-F508 HydrophobicContact CB-CE2 3.76Å; L469-F508 HydrophobicContact CD1-CE2 3.93Å; L469-F508 HydrophobicContact CG-CE2 4.46Å; L469-I526 HydrophobicContact CD1-CG2 3.95Å
470	M	95.7	Very high	94.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.9	-171.7	-56.2	-50.9	-67.6	0	0	112.7	I457 Y459 Y472 E503 R505	I457-M470 HydrophobicContact CB-CB 4.38Å; I457-M470 HydrophobicContact CB-CG 4.32Å; I457-M470 HydrophobicContact CG2-CB 4.46Å; I457-M470 HydrophobicContact CG2-CG 3.91Å; I457-M470 PolarHBondContact O-N 2.85Å; Y459-M470 HydrophobicContact CD1-CG 3.88Å; Y459-M470 HydrophobicContact CD1-SD 3.89Å; Y459-M470 HydrophobicContact CD2-CE 4.2Å; Y459-M470 HydrophobicContact CD2-SD 3.71Å; Y459-M470 HydrophobicContact CE1-CE 4.31Å; Y459-M470 HydrophobicContact CE1-CG 3.68Å; Y459-M470 HydrophobicContact CE1-SD 3.9Å; Y459-M470 HydrophobicContact CE2-CE 3.64Å; Y459-M470 HydrophobicContact CE2-SD 3.73Å; Y459-M470 HydrophobicContact CG-CG 4.39Å; Y459-M470 HydrophobicContact CG-SD 3.79Å; M470-Y472 HydrophobicContact CB-CD1 4.38Å; M470-Y472 HydrophobicContact CB-CD2 4.19Å; M470-Y472 HydrophobicContact CB-CE1 3.8Å; M470-Y472 HydrophobicContact CB-CE2 3.58Å; M470-Y472 HydrophobicContact CE-CD1 4.33Å; M470-Y472 HydrophobicContact CE-CE1 3.83Å; M470-Y472 HydrophobicContact CG-CE1 4.25Å; M470-E503 HydrophobicContact CE-CB 3.89Å; M470-R505 HydrophobicContact CE-CB 4.44Å; M470-R505 HydrophobicContact SD-CB 3.92Å
471	L	95.9	Very high	95	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.089	C	C	.	.			trans	-102.8	-31.8	178	-59.5	-178	0	0	0	112.3	L469 M473 F480 V493 S504 A506 L535 Y537	L469-L471 HydrophobicContact CD2-CD2 3.73Å; L469-L471 PolarHBondContact O-N 2.58Å; L471-M473 VanDerWaalsContact C-N 3.34Å; L471-M473 PolarHBondContact O-N 3.39Å; L471-F480 HydrophobicContact CD1-CB 4.03Å; L471-F480 HydrophobicContact CD1-CD1 4.32Å; L471-F480 HydrophobicContact CD1-CG 4.22Å; L471-F480 HydrophobicContact CD2-CB 4.24Å; L471-F480 HydrophobicContact CD2-CD1 4.36Å; L471-F480 HydrophobicContact CD2-CD2 3.91Å; L471-F480 HydrophobicContact CD2-CE2 4.37Å; L471-F480 HydrophobicContact CD2-CG 3.91Å; L471-V493 HydrophobicContact CD1-CB 4.49Å; L471-V493 HydrophobicContact CD1-CG1 4.05Å; L471-S504 PolarHBondContact N-O 2.77Å; L471-A506 HydrophobicContact CD1-CB 4.14Å; L471-A506 HydrophobicContact CG-CB 4.4Å; L471-L535 HydrophobicContact CD2-CD1 3.62Å; L471-L535 HydrophobicContact CD2-CD2 3.98Å; L471-L535 HydrophobicContact CD2-CG 4.43Å; L471-Y537 PolarHBondContact O-OH 2.86Å
472	Y	94.1	Very high	95.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.1	C	C	.	.			trans	60.9	-77.3	-178.5	-53.5	-65.6	0	0	0	114.5	T64 V68 I457 M470 I502 S504 Y537	T64-Y472 HydrophobicContact CG2-CD1 3.75Å; T64-Y472 HydrophobicContact CG2-CE1 3.52Å; T64-Y472 HydrophobicContact CG2-CG 4.39Å; T64-Y472 VanDerWaalsContact OG1-CE1 3.25Å; T64-Y472 WeakPolarHBondContact OG1-CE1 3.3Å; V68-Y472 HydrophobicContact CG1-CD1 4.49Å; V68-Y472 HydrophobicContact CG1-CD2 3.49Å; V68-Y472 VanDerWaalsContact CG1-CD2 3.49Å; V68-Y472 HydrophobicContact CG1-CE2 4.25Å; V68-Y472 HydrophobicContact CG1-CG 3.62Å; I457-Y472 HydrophobicContact CD1-CE2 4.43Å; I457-Y472 WeakPolarHBondContact CD1-OH 3.28Å; M470-Y472 HydrophobicContact CB-CD1 4.38Å; M470-Y472 HydrophobicContact CB-CD2 4.19Å; M470-Y472 HydrophobicContact CB-CE1 3.8Å; M470-Y472 HydrophobicContact CB-CE2 3.58Å; M470-Y472 HydrophobicContact CE-CD1 4.33Å; M470-Y472 HydrophobicContact CE-CE1 3.83Å; M470-Y472 HydrophobicContact CG-CE1 4.25Å; Y472-I502 WeakPolarHBondContact CD1-O 3.27Å; Y472-S504 VanDerWaalsContact CA-OG 3.28Å; Y472-S504 WeakPolarHBondContact CA-OG 3.2Å; Y472-S504 PolarHBondContact N-O 3.39Å; Y472-S504 PolarHBondContact N-OG 3.19Å; Y472-S504 VanDerWaalsContact N-OG 3.08Å; Y472-S504 PolarHBondContact O-OG 3.31Å; Y472-Y537 AromaticContact CD2-CD2 3.62Å; Y472-Y537 HydrophobicContact CD2-CD2 3.62Å; Y472-Y537 AromaticContact CD2-CE2 3.4Å; Y472-Y537 HydrophobicContact CD2-CE2 3.4Å; Y472-Y537 VanDerWaalsContact CD2-CE2 3.4Å; Y472-Y537 HydrophobicContact CD2-CG 4.37Å; Y472-Y537 AromaticContact CD2-CZ 3.99Å; Y472-Y537 AromaticContact CE2-CD2 3.5Å; Y472-Y537 HydrophobicContact CE2-CD2 3.5Å; Y472-Y537 AromaticContact CE2-CE2 3.82Å; Y472-Y537 HydrophobicContact CE2-CE2 3.82Å; Y472-Y537 HydrophobicContact CE2-CG 4.13Å
473	M	92.4	Very high	95.5	Very high	46 Å²	46	16.2 Å²	16.2	23%	0.227	9%	0.094	C	C	.	.	S	Bend	trans	-68.4	133.9	-169.6	-65.3	178.2	72.2	0	0	112.2	L71 L471 A475 K476 I477	L71-M473 HydrophobicContact CB-CE 4.42Å; L71-M473 HydrophobicContact CB-SD 4.45Å; L471-M473 VanDerWaalsContact C-N 3.34Å; L471-M473 PolarHBondContact O-N 3.39Å; M473-A475 VanDerWaalsContact C-N 3.27Å; M473-A475 PolarHBondContact O-N 3.32Å; M473-K476 HydrophobicContact CB-CB 4.47Å; M473-K476 HydrophobicContact CB-CD 4.27Å; M473-K476 HydrophobicContact CB-CG 4.07Å; M473-K476 WeakPolarHBondContact O-CB 3.39Å; M473-K476 PolarHBondContact O-N 2.97Å; M473-K476 HydrophobicContact SD-CD 4.41Å; M473-I477 PolarHBondContact O-N 2.88Å
474	P	90.7	Very high	95.7	Very high	12 Å²	12	15.2 Å²	15.2	8%	0.078	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-33.1	-175.3	22.1	-33.2	0	0	0	113.8	Y76 L79 K476 I477	Y76-P474 HydrophobicContact CD1-CG 4.38Å; Y76-P474 HydrophobicContact CD2-CB 4.45Å; Y76-P474 HydrophobicContact CD2-CG 3.81Å; Y76-P474 HydrophobicContact CE1-CB 4.09Å; Y76-P474 HydrophobicContact CE1-CG 4.33Å; Y76-P474 HydrophobicContact CE2-CB 3.95Å; Y76-P474 HydrophobicContact CE2-CG 3.76Å; Y76-P474 HydrophobicContact CG-CG 4.15Å; L79-P474 HydrophobicContact CD1-CB 3.82Å; L79-P474 HydrophobicContact CD1-CG 3.66Å; P474-K476 VanDerWaalsContact C-N 3.29Å; P474-K476 PolarHBondContact O-N 3.49Å; P474-I477 WeakPolarHBondContact O-CB 3.47Å; P474-I477 PolarHBondContact O-N 3.46Å
475	A	91.3	Very high	95.7	Very high	75 Å²	75	16.5 Å²	16.5	62%	0.62	10%	0.095	S	C	*	.	H	α-helix	trans	-64.9	-32.9	176.3	0	0	0	0	0	112.6	M473 A479	M473-A475 VanDerWaalsContact C-N 3.27Å; M473-A475 PolarHBondContact O-N 3.32Å; A475-A479 PolarHBondContact O-N 3.2Å
476	K	95.3	Very high	95.8	Very high	28 Å²	28	23.3 Å²	23.3	12%	0.122	12%	0.124	C	C	.	.	H	α-helix	trans	-75.7	-26.7	-179.2	-62.7	-171	-175.6	-170.4	0	112.3	M473 P474 A479 F480 L533 Q534 L535 Y537	M473-K476 HydrophobicContact CB-CB 4.47Å; M473-K476 HydrophobicContact CB-CD 4.27Å; M473-K476 HydrophobicContact CB-CG 4.07Å; M473-K476 WeakPolarHBondContact O-CB 3.39Å; M473-K476 PolarHBondContact O-N 2.97Å; M473-K476 HydrophobicContact SD-CD 4.41Å; P474-K476 VanDerWaalsContact C-N 3.29Å; P474-K476 PolarHBondContact O-N 3.49Å; K476-A479 PolarHBondContact O-N 3.16Å; K476-F480 VanDerWaalsContact O-CB 3.27Å; K476-F480 WeakPolarHBondContact O-CB 3.46Å; K476-F480 PolarHBondContact O-N 3.41Å; K476-L533 WeakPolarHBondContact CD-O 3.36Å; K476-L533 WeakPolarHBondContact CE-O 3.44Å; K476-L533 PolarHBondContact NZ-O 2.86Å; K476-Q534 PolarHBondContact NZ-O 2.67Å; K476-L535 HydrophobicContact CB-CD2 4.33Å; K476-L535 HydrophobicContact CD-CD2 3.51Å; K476-L535 HydrophobicContact CD-CG 4.39Å; K476-Y537 WeakPolarHBondContact CD-OH 3.38Å; K476-Y537 PolarHBondContact NZ-OH 2.81Å
477	I	95.3	Very high	95.8	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-55.2	-58.6	177.5	-56.3	175	0	0	0	110.8	I128 W132 M473 P474 A479 G481 V493 S504	I128-I477 HydrophobicContact CD1-CG2 4.4Å; W132-I477 HydrophobicContact CZ2-CG2 4.44Å; M473-I477 PolarHBondContact O-N 2.88Å; P474-I477 WeakPolarHBondContact O-CB 3.47Å; P474-I477 PolarHBondContact O-N 3.46Å; I477-A479 VanDerWaalsContact C-N 3.34Å; I477-A479 PolarHBondContact O-N 3.45Å; I477-G481 PolarHBondContact O-N 2.84Å; I477-V493 HydrophobicContact CG2-CB 3.76Å; I477-V493 HydrophobicContact CG2-CG2 3.75Å; I477-S504 WeakPolarHBondContact CG1-OG 3.41Å
478	G	94.7	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71.1	-30	-178.4	0	0	0	0	0	113	N131 R482	N131-G478 WeakPolarHBondContact ND2-CA 3.23Å; N131-G478 PolarHBondContact OD1-O 2.97Å; G478-R482 WeakPolarHBondContact O-CB 3.16Å; G478-R482 VanDerWaalsContact O-CD 3.23Å; G478-R482 WeakPolarHBondContact O-CD 3.45Å; G478-R482 WeakPolarHBondContact O-CG 3.48Å; G478-R482 PolarHBondContact O-N 3.32Å
479	A	97	Very high	95.9	Very high	26 Å²	26	30.1 Å²	30.1	22%	0.215	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-47.1	176	0	0	0	0	0	111.4	A475 K476 I477 R482 E483 L533	A475-A479 PolarHBondContact O-N 3.2Å; K476-A479 PolarHBondContact O-N 3.16Å; I477-A479 VanDerWaalsContact C-N 3.34Å; I477-A479 PolarHBondContact O-N 3.45Å; A479-R482 PolarHBondContact O-N 2.95Å; A479-E483 WeakPolarHBondContact O-CB 3.32Å; A479-E483 WeakPolarHBondContact O-CG 3.41Å; A479-E483 PolarHBondContact O-N 3.09Å; A479-L533 HydrophobicContact CB-CD1 3.99Å; A479-L533 HydrophobicContact CB-CD2 3.85Å
480	F	98.1	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-51.3	179.9	-170.2	-92.5	0	0	0	111.4	L471 K476 R482 E483 M484 V491 V493 A506 F508 V529 L533 L535	L471-F480 HydrophobicContact CD1-CB 4.03Å; L471-F480 HydrophobicContact CD1-CD1 4.32Å; L471-F480 HydrophobicContact CD1-CG 4.22Å; L471-F480 HydrophobicContact CD2-CB 4.24Å; L471-F480 HydrophobicContact CD2-CD1 4.36Å; L471-F480 HydrophobicContact CD2-CD2 3.91Å; L471-F480 HydrophobicContact CD2-CE2 4.37Å; L471-F480 HydrophobicContact CD2-CG 3.91Å; K476-F480 VanDerWaalsContact O-CB 3.27Å; K476-F480 WeakPolarHBondContact O-CB 3.46Å; K476-F480 PolarHBondContact O-N 3.41Å; F480-R482 VanDerWaalsContact C-N 3.3Å; F480-R482 PolarHBondContact O-N 3.49Å; F480-E483 PolarHBondContact O-N 3.46Å; F480-M484 HydrophobicContact CD1-CG 3.83Å; F480-M484 HydrophobicContact CE1-CG 3.55Å; F480-M484 HydrophobicContact CE1-SD 4.31Å; F480-M484 HydrophobicContact CE2-CG 4.32Å; F480-M484 HydrophobicContact CE2-SD 4.33Å; F480-M484 HydrophobicContact CG-CG 4.33Å; F480-M484 HydrophobicContact CZ-CG 3.81Å; F480-M484 HydrophobicContact CZ-SD 3.97Å; F480-M484 WeakPolarHBondContact O-CB 3.47Å; F480-M484 VanDerWaalsContact O-CG 3.23Å; F480-M484 WeakPolarHBondContact O-CG 3.14Å; F480-M484 PolarHBondContact O-N 2.86Å; F480-V491 HydrophobicContact CD1-CG2 4.17Å; F480-V491 HydrophobicContact CE1-CG1 4.49Å; F480-V491 HydrophobicContact CE1-CG2 4.17Å; F480-V493 HydrophobicContact CD1-CG1 4.02Å; F480-A506 HydrophobicContact CD1-CB 3.89Å; F480-A506 HydrophobicContact CE1-CB 3.57Å; F480-A506 HydrophobicContact CZ-CB 4.38Å; F480-F508 AromaticContact CE1-CZ 3.93Å; F480-F508 HydrophobicContact CE1-CZ 3.93Å; F480-F508 AromaticContact CZ-CZ 3.95Å; F480-F508 HydrophobicContact CZ-CZ 3.95Å; F480-V529 HydrophobicContact CD2-CG1 3.52Å; F480-V529 HydrophobicContact CE2-CB 4.4Å; F480-V529 HydrophobicContact CE2-CG1 3.76Å; F480-V529 HydrophobicContact CG-CG1 4.38Å; F480-L533 HydrophobicContact CB-CD1 3.89Å; F480-L533 HydrophobicContact CD2-CD1 4.12Å; F480-L535 HydrophobicContact CD2-CD1 3.48Å; F480-L535 VanDerWaalsContact CD2-CD1 3.48Å; F480-L535 HydrophobicContact CE2-CD1 3.91Å; F480-L535 HydrophobicContact CG-CD1 4.49Å
481	G	96.9	Very high	95.9	Very high	8 Å²	8	31.9 Å²	31.9	8%	0.082	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-36.6	179.7	0	0	0	0	0	113.7	N131 I477 L485	N131-G481 VanDerWaalsContact OD1-CA 3.32Å; N131-G481 WeakPolarHBondContact OD1-CA 3.22Å; I477-G481 PolarHBondContact O-N 2.84Å; G481-L485 PolarHBondContact O-N 2.96Å
482	R	96.6	Very high	95.9	Very high	83 Å²	83	33.9 Å²	33.9	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-70.3	-46.4	175.6	-69.8	167.4	-174.1	152.3	0.2	112.4	R127 D130 N131 G478 A479 F480 L485 K486	R127-R482 PolarHBondContact O-NH2 3.3Å; D130-R482 IonicContact OD1-CZ 3.94Å; D130-R482 IonicContact OD1-NE 3.93Å; D130-R482 IonicContact OD1-NH2 3.75Å; D130-R482 PolarHBondContact OD1-NH2 3.01Å; D130-R482 IonicContact OD2-CZ 2.87Å; D130-R482 IonicContact OD2-NE 3.8Å; D130-R482 PolarHBondContact OD2-NE 3.43Å; D130-R482 IonicContact OD2-NH2 2.63Å; D130-R482 PolarHBondContact OD2-NH2 3.39Å; N131-R482 PolarHBondContact OD1-N 2.99Å; G478-R482 WeakPolarHBondContact O-CB 3.16Å; G478-R482 VanDerWaalsContact O-CD 3.23Å; G478-R482 WeakPolarHBondContact O-CD 3.45Å; G478-R482 WeakPolarHBondContact O-CG 3.48Å; G478-R482 PolarHBondContact O-N 3.32Å; A479-R482 PolarHBondContact O-N 2.95Å; F480-R482 VanDerWaalsContact C-N 3.3Å; F480-R482 PolarHBondContact O-N 3.49Å; R482-L485 PolarHBondContact O-N 3.36Å; R482-K486 WeakPolarHBondContact O-CG 3.45Å; R482-K486 PolarHBondContact O-N 3.41Å
483	E	98.1	Very high	96	Very high	37 Å²	37	34 Å²	34	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-37.4	-178.6	-72.5	-54.5	129.9	0	0	112.6	A479 F480 K486 R487 V529 L532	A479-E483 WeakPolarHBondContact O-CB 3.32Å; A479-E483 WeakPolarHBondContact O-CG 3.41Å; A479-E483 PolarHBondContact O-N 3.09Å; F480-E483 PolarHBondContact O-N 3.46Å; E483-K486 PolarHBondContact O-N 3.05Å; E483-K486 IonicContact OE1-NZ 3.41Å; E483-K486 PolarHBondContact OE1-NZ 3.46Å; E483-R487 WeakPolarHBondContact O-CD 3.41Å; E483-R487 WeakPolarHBondContact O-CG 3.49Å; E483-R487 PolarHBondContact O-N 3.46Å; E483-R487 PolarHBondContact O-NH1 3.09Å; E483-R487 VanDerWaalsContact O-NH1 3.14Å; E483-R487 IonicContact OE2-CZ 3.32Å; E483-R487 IonicContact OE2-NH1 3.96Å; E483-R487 PolarHBondContact OE2-NH1 3.31Å; E483-V529 HydrophobicContact CB-CG1 3.98Å; E483-V529 HydrophobicContact CB-CG2 3.9Å; E483-L532 HydrophobicContact CG-CD2 4.12Å
484	M	98.2	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-44.1	174.6	-69.5	-53.8	-69.3	0	0	111.8	F480 K486 R487 N488 V489 V491 E525 I526 V529	F480-M484 HydrophobicContact CD1-CG 3.83Å; F480-M484 HydrophobicContact CE1-CG 3.55Å; F480-M484 HydrophobicContact CE1-SD 4.31Å; F480-M484 HydrophobicContact CE2-CG 4.32Å; F480-M484 HydrophobicContact CE2-SD 4.33Å; F480-M484 HydrophobicContact CG-CG 4.33Å; F480-M484 HydrophobicContact CZ-CG 3.81Å; F480-M484 HydrophobicContact CZ-SD 3.97Å; F480-M484 WeakPolarHBondContact O-CB 3.47Å; F480-M484 VanDerWaalsContact O-CG 3.23Å; F480-M484 WeakPolarHBondContact O-CG 3.14Å; F480-M484 PolarHBondContact O-N 2.86Å; M484-K486 PolarHBondContact O-N 3.02Å; M484-R487 CarbonylContact O-C 3.49Å; M484-R487 WeakPolarHBondContact O-CA 3.43Å; M484-R487 WeakPolarHBondContact O-CB 3.46Å; M484-R487 PolarHBondContact O-N 2.76Å; M484-N488 PolarHBondContact O-N 3.1Å; M484-V489 CarbonylContact C-O 3.52Å; M484-V489 HydrophobicContact CB-CB 4.45Å; M484-V489 WeakPolarHBondContact CB-O 3.02Å; M484-V489 HydrophobicContact CE-CB 3.64Å; M484-V489 HydrophobicContact CE-CG1 3.51Å; M484-V489 HydrophobicContact CE-CG2 4.11Å; M484-V489 PolarHBondContact O-N 2.71Å; M484-V491 HydrophobicContact CB-CG1 4.07Å; M484-V491 HydrophobicContact CB-CG2 3.85Å; M484-V491 HydrophobicContact CE-CG1 4.12Å; M484-V491 HydrophobicContact CG-CG1 4.12Å; M484-V491 HydrophobicContact CG-CG2 4.05Å; M484-E525 HydrophobicContact CE-CB 4.46Å; M484-I526 HydrophobicContact CE-CB 4.42Å; M484-I526 HydrophobicContact CE-CD1 4.37Å; M484-I526 HydrophobicContact CE-CG1 3.38Å; M484-I526 HydrophobicContact SD-CG1 4.2Å; M484-V529 HydrophobicContact SD-CB 4.03Å; M484-V529 HydrophobicContact SD-CG1 4.31Å; M484-V529 HydrophobicContact SD-CG2 3.81Å
485	L	96.9	Very high	96.1	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-39	177.2	-176.8	101.3	0	0	0	112.1	I146 I165 G481 R482 R487 N488 V489	I146-L485 HydrophobicContact CD1-CD1 3.9Å; I165-L485 HydrophobicContact CD1-CD2 4.12Å; G481-L485 PolarHBondContact O-N 2.96Å; R482-L485 PolarHBondContact O-N 3.36Å; L485-R487 PolarHBondContact O-N 3.06Å; L485-R487 VanDerWaalsContact O-N 3.12Å; L485-N488 WeakPolarHBondContact O-CA 3.44Å; L485-N488 PolarHBondContact O-N 3.48Å; L485-V489 PolarHBondContact N-O 2.88Å
486	K	97	Very high	95.9	Very high	143 Å²	143	31.4 Å²	31.4	62%	0.622	16%	0.159	S	C	*	.	H	α-helix	trans	-56	-28.1	173.8	-73.5	174	-174.9	175	0	112.3	R482 E483 M484 N488	R482-K486 WeakPolarHBondContact O-CG 3.45Å; R482-K486 PolarHBondContact O-N 3.41Å; E483-K486 PolarHBondContact O-N 3.05Å; E483-K486 IonicContact OE1-NZ 3.41Å; E483-K486 PolarHBondContact OE1-NZ 3.46Å; M484-K486 PolarHBondContact O-N 3.02Å; K486-N488 VanDerWaalsContact C-N 3.34Å
487	R	97.8	Very high	95.4	Very high	68 Å²	68	34.6 Å²	34.6	26%	0.257	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	13.8	176.3	-67.7	162.8	169.6	79.5	-0.7	113.4	E483 M484 L485 V489 E525	E483-R487 WeakPolarHBondContact O-CD 3.41Å; E483-R487 WeakPolarHBondContact O-CG 3.49Å; E483-R487 PolarHBondContact O-N 3.46Å; E483-R487 PolarHBondContact O-NH1 3.09Å; E483-R487 VanDerWaalsContact O-NH1 3.14Å; E483-R487 IonicContact OE2-CZ 3.32Å; E483-R487 IonicContact OE2-NH1 3.96Å; E483-R487 PolarHBondContact OE2-NH1 3.31Å; M484-R487 CarbonylContact O-C 3.49Å; M484-R487 WeakPolarHBondContact O-CA 3.43Å; M484-R487 WeakPolarHBondContact O-CB 3.46Å; M484-R487 PolarHBondContact O-N 2.76Å; L485-R487 PolarHBondContact O-N 3.06Å; L485-R487 VanDerWaalsContact O-N 3.12Å; R487-V489 VanDerWaalsContact C-N 3.29Å; R487-V489 PolarHBondContact O-N 3.04Å; R487-E525 HydrophobicContact CB-CB 4.21Å; R487-E525 HydrophobicContact CB-CG 4.04Å; R487-E525 WeakPolarHBondContact CB-OE2 3.26Å; R487-E525 WeakPolarHBondContact CD-OE2 3.35Å; R487-E525 WeakPolarHBondContact CG-OE2 3.36Å; R487-E525 IonicContact NE-OE2 2.91Å; R487-E525 PolarHBondContact NE-OE2 2.98Å
488	N	97.3	Very high	94.9	Very high	75 Å²	75	37.7 Å²	37.7	40%	0.401	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	34.2	-176.5	-68.8	-49	0	0	0	114.4	I165 V168 I169 M484 L485 K486	I165-N488 WeakPolarHBondContact CG2-OD1 3.21Å; V168-N488 CarbonylContact C-O 3.53Å; V168-N488 WeakPolarHBondContact CA-O 3.41Å; I169-N488 PolarHBondContact N-O 3.39Å; M484-N488 PolarHBondContact O-N 3.1Å; L485-N488 WeakPolarHBondContact O-CA 3.44Å; L485-N488 PolarHBondContact O-N 3.48Å; K486-N488 VanDerWaalsContact C-N 3.34Å
489	V	98.1	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.6	172	-173.3	0	0	0	0	110.1	I169 M171 M484 L485 R487 V491 E525	I169-V489 HydrophobicContact CB-CG1 4.48Å; I169-V489 HydrophobicContact CD1-CG2 4.35Å; M171-V489 HydrophobicContact CG-CG1 3.96Å; M484-V489 CarbonylContact C-O 3.52Å; M484-V489 HydrophobicContact CB-CB 4.45Å; M484-V489 WeakPolarHBondContact CB-O 3.02Å; M484-V489 HydrophobicContact CE-CB 3.64Å; M484-V489 HydrophobicContact CE-CG1 3.51Å; M484-V489 HydrophobicContact CE-CG2 4.11Å; M484-V489 PolarHBondContact O-N 2.71Å; L485-V489 PolarHBondContact N-O 2.88Å; R487-V489 VanDerWaalsContact C-N 3.29Å; R487-V489 PolarHBondContact O-N 3.04Å; V489-V491 HydrophobicContact CG1-CG1 3.99Å; V489-E525 HydrophobicContact CG2-CB 4.19Å; V489-E525 HydrophobicContact CG2-CG 4.27Å
490	G	96.8	Very high	94.1	Very high	15 Å²	15	39.9 Å²	39.9	16%	0.155	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.8	178.8	0	0	0	0	0	110.8	V168 I169 M171	V168-G490 VanDerWaalsContact CG1-N 3.25Å; I169-G490 WeakPolarHBondContact O-CA 3.31Å; I169-G490 PolarHBondContact O-N 3.4Å; M171-G490 PolarHBondContact N-O 3.11Å
491	V	96.3	Very high	93.6	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.139	23%	0.234	C	C	.	.			trans	-125.4	154.4	-178.1	-57.6	0	0	0	0	111.1	F480 M484 V489 V493 F508	F480-V491 HydrophobicContact CD1-CG2 4.17Å; F480-V491 HydrophobicContact CE1-CG1 4.49Å; F480-V491 HydrophobicContact CE1-CG2 4.17Å; M484-V491 HydrophobicContact CB-CG1 4.07Å; M484-V491 HydrophobicContact CB-CG2 3.85Å; M484-V491 HydrophobicContact CE-CG1 4.12Å; M484-V491 HydrophobicContact CG-CG1 4.12Å; M484-V491 HydrophobicContact CG-CG2 4.05Å; V489-V491 HydrophobicContact CG1-CG1 3.99Å; V491-V493 HydrophobicContact CG2-CG1 4.27Å; V491-F508 HydrophobicContact CB-CE1 4.32Å; V491-F508 HydrophobicContact CG1-CD1 4.24Å; V491-F508 HydrophobicContact CG1-CE1 3.48Å; V491-F508 VanDerWaalsContact CG1-CE1 3.48Å; V491-F508 HydrophobicContact CG1-CZ 4.16Å
492	V	95	Very high	93.2	Very high	41 Å²	41	44 Å²	44	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.7	172.8	178.5	0	0	0	0	108.7	V494 A506 R507	V492-V494 HydrophobicContact CG1-CG2 4.03Å; V492-A506 CarbonylContact O-C 3.13Å; V492-A506 WeakPolarHBondContact O-CA 3.4Å; V492-R507 PolarHBondContact O-N 3.05Å
493	V	96.3	Very high	92.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.2	172.5	-63.3	0	0	0	0	110.3	N131 W132 L471 I477 F480 V491 A506	N131-V493 HydrophobicContact CB-CG2 3.99Å; W132-V493 HydrophobicContact CZ2-CG2 4.03Å; W132-V493 PolarHBondContact NE1-O 3.16Å; L471-V493 HydrophobicContact CD1-CB 4.49Å; L471-V493 HydrophobicContact CD1-CG1 4.05Å; I477-V493 HydrophobicContact CG2-CB 3.76Å; I477-V493 HydrophobicContact CG2-CG2 3.75Å; F480-V493 HydrophobicContact CD1-CG1 4.02Å; V491-V493 HydrophobicContact CG2-CG1 4.27Å; V493-A506 HydrophobicContact CG1-CB 4.34Å
494	V	93.8	Very high	92.8	Very high	15 Å²	15	40.7 Å²	40.7	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140	-175.2	-171.7	0	0	0	0	108.8	M318 V492 A498 T499 S504 R505	M318-V494 HydrophobicContact SD-CG1 4.46Å; V492-V494 HydrophobicContact CG1-CG2 4.03Å; V494-A498 HydrophobicContact CG1-CB 3.7Å; V494-T499 HydrophobicContact CG1-CG2 3.93Å; V494-S504 CarbonylContact O-C 3.47Å; V494-S504 VanDerWaalsContact O-CA 3.3Å; V494-S504 WeakPolarHBondContact O-CA 3.28Å; V494-S504 WeakPolarHBondContact O-CB 3.45Å; V494-R505 HydrophobicContact CB-CG 4.48Å; V494-R505 PolarHBondContact N-O 2.63Å; V494-R505 PolarHBondContact O-N 3.02Å
495	G	90.6	Very high	92.6	Very high	11 Å²	11	40.7 Å²	40.7	11%	0.113	23%	0.228	C	C	.	.			trans	-153.5	-172.1	172.2	0	0	0	0	0	110.9	A498 T499	G495-A498 WeakPolarHBondContact O-CB 3.3Å; G495-A498 PolarHBondContact O-N 2.76Å; G495-T499 PolarHBondContact O-N 2.94Å
496	F	88.8	Confident	92.6	Very high	53 Å²	53	39.5 Å²	39.5	23%	0.232	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	139.2	176.2	-175.7	-91.1	0	0	0	112	Y76 F116 Y120 T499 I501	Y76-F496 HydrophobicContact CE1-CB 4.5Å; F116-F496 AromaticContact CE1-CE1 3.74Å; F116-F496 HydrophobicContact CE1-CE1 3.74Å; F116-F496 AromaticContact CE1-CZ 3.86Å; F116-F496 HydrophobicContact CE1-CZ 3.86Å; F116-F496 AromaticContact CZ-CE1 3.92Å; F116-F496 HydrophobicContact CZ-CE1 3.92Å; F116-F496 HydrophobicContact CZ-CZ 4.21Å; Y120-F496 HydrophobicContact CD2-CD1 4.15Å; Y120-F496 HydrophobicContact CD2-CE1 4.13Å; Y120-F496 HydrophobicContact CE1-CD1 4.45Å; Y120-F496 AromaticContact CE2-CD1 3.58Å; Y120-F496 HydrophobicContact CE2-CD1 3.58Å; Y120-F496 HydrophobicContact CE2-CE1 4.03Å; Y120-F496 AromaticContact CZ-CD1 3.75Å; Y120-F496 PolarHBondContact OH-O 3.17Å; F496-T499 VanDerWaalsContact CA-O 3.25Å; F496-T499 WeakPolarHBondContact CA-O 3.25Å; F496-I501 HydrophobicContact CB-CG1 4.33Å; F496-I501 HydrophobicContact CD2-CG1 3.72Å; F496-I501 HydrophobicContact CE2-CG1 4.26Å; F496-I501 HydrophobicContact CG-CG1 4.02Å
497	P	84.3	Confident	92.6	Very high	95 Å²	95	33.8 Å²	33.8	62%	0.617	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.4	2.1	4.6	36.1	-37.2	0	0	0	115.2	T499	P497-T499 VanDerWaalsContact C-N 3.33Å; P497-T499 PolarHBondContact O-N 3.28Å
498	A	84.3	Confident	92.6	Very high	70 Å²	70	30.6 Å²	30.6	58%	0.579	18%	0.184	S	C	*	.	S	Bend	trans	-71.6	-28.3	-178.2	0	0	0	0	0	112.9	V494 G495	V494-A498 HydrophobicContact CG1-CB 3.7Å; G495-A498 WeakPolarHBondContact O-CB 3.3Å; G495-A498 PolarHBondContact O-N 2.76Å
499	T	86.1	Confident	92.6	Very high	6 Å²	6	27 Å²	27	4%	0.037	17%	0.165	C	C	.	.	S	Bend	trans	-129.5	162.3	171.7	59.3	0	0	0	0	110.1	V494 G495 F496 P497 E503	V494-T499 HydrophobicContact CG1-CG2 3.93Å; G495-T499 PolarHBondContact O-N 2.94Å; F496-T499 VanDerWaalsContact CA-O 3.25Å; F496-T499 WeakPolarHBondContact CA-O 3.25Å; P497-T499 VanDerWaalsContact C-N 3.33Å; P497-T499 PolarHBondContact O-N 3.28Å; T499-E503 PolarHBondContact OG1-O 2.97Å; T499-E503 VanDerWaalsContact OG1-O 3.08Å
500	P	88.4	Confident	92.6	Very high	66 Å²	66	27 Å²	27	43%	0.429	17%	0.165	S	C	.	.			trans	-53.9	153.6	171.7	-26.4	35.5	0	0	0	112.8	I502 E503	P500-I502 PolarHBondContact O-N 3Å; P500-I502 VanDerWaalsContact O-N 3.14Å; P500-E503 HydrophobicContact CB-CB 4.33Å; P500-E503 HydrophobicContact CB-CG 4.07Å; P500-E503 WeakPolarHBondContact CD-OE2 3.39Å; P500-E503 HydrophobicContact CG-CG 4.42Å; P500-E503 WeakPolarHBondContact CG-OE2 3.16Å; P500-E503 PolarHBondContact O-N 3.1Å
501	I	87.9	Confident	92.7	Very high	53 Å²	53	26.6 Å²	26.6	27%	0.272	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-40	-175	-76.1	171.4	0	0	0	113	T72 Y73 Y76 F496 E503	T72-I501 HydrophobicContact CG2-CG2 4.36Å; T72-I501 WeakPolarHBondContact CG2-O 3.41Å; Y73-I501 HydrophobicContact CD1-CG2 4.03Å; Y73-I501 HydrophobicContact CE1-CB 4.48Å; Y73-I501 HydrophobicContact CE1-CG2 3.87Å; Y76-I501 HydrophobicContact CD2-CG2 3.53Å; Y76-I501 HydrophobicContact CE2-CB 4.45Å; Y76-I501 HydrophobicContact CE2-CG2 3.72Å; Y76-I501 HydrophobicContact CG-CG2 4.26Å; F496-I501 HydrophobicContact CB-CG1 4.33Å; F496-I501 HydrophobicContact CD2-CG1 3.72Å; F496-I501 HydrophobicContact CE2-CG1 4.26Å; F496-I501 HydrophobicContact CG-CG1 4.02Å; I501-E503 VanDerWaalsContact C-N 3.29Å; I501-E503 PolarHBondContact O-N 3.13Å
502	I	89.4	Confident	92.7	Very high	41 Å²	41	26.1 Å²	26.1	21%	0.21	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	17.7	-177.6	63.7	171.4	0	0	0	112.9	T72 Y73 Y472 P500	T72-I502 HydrophobicContact CG2-CG2 4.42Å; Y73-I502 HydrophobicContact CD2-CG2 4.04Å; Y73-I502 HydrophobicContact CE1-CG2 4.34Å; Y73-I502 HydrophobicContact CE2-CG2 3.43Å; Y73-I502 VanDerWaalsContact CE2-CG2 3.43Å; Y472-I502 WeakPolarHBondContact CD1-O 3.27Å; P500-I502 PolarHBondContact O-N 3Å; P500-I502 VanDerWaalsContact O-N 3.14Å
503	E	90.4	Very high	92.8	Very high	51 Å²	51	25.6 Å²	25.6	24%	0.238	16%	0.158	C	C	.	.			trans	-138.8	33.7	-173.5	-53.6	-176.5	177.7	0	0	112.6	M470 T499 P500 I501 R505	M470-E503 HydrophobicContact CE-CB 3.89Å; T499-E503 PolarHBondContact OG1-O 2.97Å; T499-E503 VanDerWaalsContact OG1-O 3.08Å; P500-E503 HydrophobicContact CB-CB 4.33Å; P500-E503 HydrophobicContact CB-CG 4.07Å; P500-E503 WeakPolarHBondContact CD-OE2 3.39Å; P500-E503 HydrophobicContact CG-CG 4.42Å; P500-E503 WeakPolarHBondContact CG-OE2 3.16Å; P500-E503 PolarHBondContact O-N 3.1Å; I501-E503 VanDerWaalsContact C-N 3.29Å; I501-E503 PolarHBondContact O-N 3.13Å; E503-R505 VanDerWaalsContact CB-NH2 3.28Å; E503-R505 PolarHBondContact O-NE 3.08Å; E503-R505 PolarHBondContact O-NH2 2.7Å; E503-R505 IonicContact OE2-NH2 2.75Å; E503-R505 PolarHBondContact OE2-NH2 2.83Å
504	S	94.2	Very high	92.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.158	C	C	.	.			trans	-67.2	145	168.4	78.8	0	0	0	0	110.8	L471 Y472 I477 V494	L471-S504 PolarHBondContact N-O 2.77Å; Y472-S504 VanDerWaalsContact CA-OG 3.28Å; Y472-S504 WeakPolarHBondContact CA-OG 3.2Å; Y472-S504 PolarHBondContact N-O 3.39Å; Y472-S504 PolarHBondContact N-OG 3.19Å; Y472-S504 VanDerWaalsContact N-OG 3.08Å; Y472-S504 PolarHBondContact O-OG 3.31Å; I477-S504 WeakPolarHBondContact CG1-OG 3.41Å; V494-S504 CarbonylContact O-C 3.47Å; V494-S504 VanDerWaalsContact O-CA 3.3Å; V494-S504 WeakPolarHBondContact O-CA 3.28Å; V494-S504 WeakPolarHBondContact O-CB 3.45Å
505	R	95.8	Very high	93.1	Very high	1 Å²	1	28 Å²	28	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	156.2	-166.3	62.1	-165	85.8	164	1.4	112.6	M318 E319 P468 L469 M470 V494 E503	M318-R505 VanDerWaalsContact C-NH1 3.29Å; M318-R505 PolarHBondContact O-NH1 3.42Å; E319-R505 IonicContact OE1-CZ 3.23Å; E319-R505 IonicContact OE1-NH1 3.39Å; E319-R505 PolarHBondContact OE1-NH1 3.11Å; E319-R505 IonicContact OE1-NH2 2.74Å; P468-R505 HydrophobicContact CB-CB 4.37Å; P468-R505 HydrophobicContact CB-CG 4.21Å; L469-R505 CarbonylContact O-C 3.52Å; L469-R505 WeakPolarHBondContact O-CA 3.32Å; L469-R505 VanDerWaalsContact O-CB 3.28Å; L469-R505 WeakPolarHBondContact O-CB 3.31Å; M470-R505 HydrophobicContact CE-CB 4.44Å; M470-R505 HydrophobicContact SD-CB 3.92Å; V494-R505 HydrophobicContact CB-CG 4.48Å; V494-R505 PolarHBondContact N-O 2.63Å; V494-R505 PolarHBondContact O-N 3.02Å; E503-R505 VanDerWaalsContact CB-NH2 3.28Å; E503-R505 PolarHBondContact O-NE 3.08Å; E503-R505 PolarHBondContact O-NH2 2.7Å; E503-R505 IonicContact OE2-NH2 2.75Å; E503-R505 PolarHBondContact OE2-NH2 2.83Å
506	A	97.1	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120	160.7	0	0	0	0	0	107.9	P468 L469 L471 F480 V492 V493 F508	P468-A506 WeakPolarHBondContact CA-O 3.34Å; L469-A506 PolarHBondContact N-O 2.83Å; L469-A506 PolarHBondContact O-N 3.31Å; L471-A506 HydrophobicContact CD1-CB 4.14Å; L471-A506 HydrophobicContact CG-CB 4.4Å; F480-A506 HydrophobicContact CD1-CB 3.89Å; F480-A506 HydrophobicContact CE1-CB 3.57Å; F480-A506 HydrophobicContact CZ-CB 4.38Å; V492-A506 CarbonylContact O-C 3.13Å; V492-A506 WeakPolarHBondContact O-CA 3.4Å; V493-A506 HydrophobicContact CG1-CB 4.34Å; A506-F508 HydrophobicContact CB-CE2 3.84Å; A506-F508 HydrophobicContact CB-CZ 4.16Å
507	R	96.4	Very high	93.8	Very high	24 Å²	24	36.4 Å²	36.4	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.1	178.5	-172	179.9	65.5	-126.1	-1.3	109.3	Y174 S317 M318 V466 V492	Y174-R507 PolarHBondContact OH-NE 3.41Å; Y174-R507 PolarHBondContact OH-NH2 2.95Å; S317-R507 WeakPolarHBondContact O-CD 3.45Å; M318-R507 PolarHBondContact SD-NH1 2.79Å; V466-R507 HydrophobicContact CG1-CG 3.78Å; V492-R507 PolarHBondContact O-N 3.05Å
508	F	97.8	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.1	170.4	-59.1	-85.6	0	0	0	109.5	M171 F447 V467 L469 F480 V491 A506 I526	M171-F508 HydrophobicContact CB-CD1 3.73Å; M171-F508 HydrophobicContact CB-CE1 4.4Å; M171-F508 HydrophobicContact CE-CD1 4.33Å; M171-F508 HydrophobicContact CG-CD1 4.32Å; M171-F508 CarbonylContact O-C 3.55Å; M171-F508 VanDerWaalsContact O-CA 3.31Å; M171-F508 WeakPolarHBondContact O-CA 3.34Å; F447-F508 HydrophobicContact CE1-CB 3.89Å; F447-F508 HydrophobicContact CE1-CD1 4.35Å; F447-F508 HydrophobicContact CE1-CD2 4.22Å; F447-F508 AromaticContact CE1-CG 3.91Å; F447-F508 HydrophobicContact CE1-CG 3.91Å; F447-F508 HydrophobicContact CZ-CB 4.39Å; F447-F508 HydrophobicContact CZ-CD1 4.06Å; F447-F508 HydrophobicContact CZ-CE1 4.47Å; F447-F508 HydrophobicContact CZ-CG 4.08Å; V467-F508 HydrophobicContact CB-CB 4.26Å; V467-F508 PolarHBondContact N-O 2.82Å; V467-F508 PolarHBondContact O-N 3.4Å; L469-F508 HydrophobicContact CB-CD2 4.17Å; L469-F508 HydrophobicContact CB-CE2 3.76Å; L469-F508 HydrophobicContact CD1-CE2 3.93Å; L469-F508 HydrophobicContact CG-CE2 4.46Å; F480-F508 AromaticContact CE1-CZ 3.93Å; F480-F508 HydrophobicContact CE1-CZ 3.93Å; F480-F508 AromaticContact CZ-CZ 3.95Å; F480-F508 HydrophobicContact CZ-CZ 3.95Å; V491-F508 HydrophobicContact CB-CE1 4.32Å; V491-F508 HydrophobicContact CG1-CD1 4.24Å; V491-F508 HydrophobicContact CG1-CE1 3.48Å; V491-F508 VanDerWaalsContact CG1-CE1 3.48Å; V491-F508 HydrophobicContact CG1-CZ 4.16Å; A506-F508 HydrophobicContact CB-CE2 3.84Å; A506-F508 HydrophobicContact CB-CZ 4.16Å; F508-I526 HydrophobicContact CD1-CD1 4.36Å; F508-I526 HydrophobicContact CE1-CD1 3.59Å; F508-I526 HydrophobicContact CE1-CG1 4.19Å; F508-I526 HydrophobicContact CE2-CD1 4.37Å; F508-I526 HydrophobicContact CZ-CD1 3.6Å; F508-I526 HydrophobicContact CZ-CG1 3.97Å
509	C	97.1	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.3	175.4	-61.7	0	0	0	0	108.1	M171 S173 Y174 Y176 P465	M171-C509 PolarHBondContact O-N 3.49Å; S173-C509 WeakPolarHBondContact O-CB 3.4Å; Y174-C509 HydrophobicContact CD1-CB 4.19Å; Y174-C509 VanDerWaalsContact CD1-SG 3.56Å; Y174-C509 WeakPolarHBondContact CE1-SG 3.4Å; Y176-C509 HydrophobicContact CE1-CB 4.45Å; P465-C509 WeakPolarHBondContact O-CA 3.41Å
510	L	97.9	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.			trans	-82	154.9	-176.3	-68.3	-49.7	0	0	0	110.5	M171 Y176 L440 F447 P465 V467 L519	M171-L510 HydrophobicContact CE-CD1 3.77Å; Y176-L510 VanDerWaalsContact CD1-O 3.29Å; Y176-L510 WeakPolarHBondContact CD1-O 3.38Å; L440-L510 HydrophobicContact CD1-CB 4.11Å; L440-L510 WeakPolarHBondContact CD1-O 3.26Å; F447-L510 HydrophobicContact CB-CD1 4.04Å; F447-L510 HydrophobicContact CB-CG 4.44Å; F447-L510 HydrophobicContact CD1-CD1 3.98Å; F447-L510 HydrophobicContact CD1-CD2 4.14Å; F447-L510 HydrophobicContact CD2-CD1 4.32Å; F447-L510 HydrophobicContact CG-CD1 3.87Å; P465-L510 HydrophobicContact CB-CB 4.41Å; P465-L510 WeakPolarHBondContact O-CD2 3.36Å; P465-L510 PolarHBondContact O-N 3.31Å; V467-L510 HydrophobicContact CB-CD2 4.14Å; V467-L510 HydrophobicContact CG2-CD2 3.38Å; L510-L519 HydrophobicContact CD1-CD2 3.93Å
511	S	97.9	Very high	96.2	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.042	17%	0.167	C	C	.	.			trans	-133.7	148.3	177.8	-175.7	0	0	0	0	110.1	N175 Y176 N443 A513 H514	N175-S511 WeakPolarHBondContact O-CB 3.42Å; N175-S511 PolarHBondContact O-OG 2.89Å; Y176-S511 CarbonylContact O-C 3.53Å; Y176-S511 VanDerWaalsContact O-CA 3.28Å; Y176-S511 WeakPolarHBondContact O-CA 3.12Å; N443-S511 PolarHBondContact ND2-O 2.95Å; S511-A513 PolarHBondContact O-N 2.91Å; S511-A513 PolarHBondContact OG-N 2.83Å; S511-A513 VanDerWaalsContact OG-N 3.13Å; S511-H514 PolarHBondContact N-CE1 3.38Å; S511-H514 PolarHBondContact N-ND1 3.32Å; S511-H514 WeakPolarHBondContact O-CB 3.39Å; S511-H514 PolarHBondContact O-N 2.81Å; S511-H514 VanDerWaalsContact O-N 3.09Å
512	A	97.8	Very high	96.7	Very high	14 Å²	14	29.3 Å²	29.3	12%	0.116	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.5	165.2	0	0	0	0	0	111.9	Y176 C436 Q439 L440 H514	Y176-A512 PolarHBondContact O-N 3.32Å; C436-A512 HydrophobicContact CB-CB 3.86Å; C436-A512 WeakPolarHBondContact O-CB 3.41Å; Q439-A512 HydrophobicContact CB-CB 4.41Å; Q439-A512 WeakPolarHBondContact CG-O 3.31Å; L440-A512 HydrophobicContact CB-CB 4.29Å; A512-H514 VanDerWaalsContact C-N 3.27Å; A512-H514 PolarHBondContact O-N 2.91Å
513	A	96.3	Very high	97.2	Very high	29 Å²	29	27.6 Å²	27.6	24%	0.24	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.5	177.4	0	0	0	0	0	113.6	A142 S511 T515	A142-A513 HydrophobicContact CB-CB 3.94Å; A142-A513 VanDerWaalsContact CB-O 3.31Å; A142-A513 WeakPolarHBondContact CB-O 3.24Å; S511-A513 PolarHBondContact O-N 2.91Å; S511-A513 PolarHBondContact OG-N 2.83Å; S511-A513 VanDerWaalsContact OG-N 3.13Å; A513-T515 PolarHBondContact O-N 3.19Å
514	H	98	Very high	97.5	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.014	16%	0.158	C	C	.	.			trans	-77	121.1	173.4	-62	136.3	0	0	0	109.7	N170 N443 S511 A512 L519	N170-H514 PolarHBondContact O-CE1 3.25Å; N170-H514 PolarHBondContact O-NE2 3.23Å; N443-H514 PolarHBondContact ND2-O 3.45Å; S511-H514 PolarHBondContact N-CE1 3.38Å; S511-H514 PolarHBondContact N-ND1 3.32Å; S511-H514 WeakPolarHBondContact O-CB 3.39Å; S511-H514 PolarHBondContact O-N 2.81Å; S511-H514 VanDerWaalsContact O-N 3.09Å; A512-H514 VanDerWaalsContact C-N 3.27Å; A512-H514 PolarHBondContact O-N 2.91Å; H514-L519 HydrophobicContact CB-CD1 4.49Å; H514-L519 HydrophobicContact CB-CD2 3.8Å; H514-L519 HydrophobicContact CB-CG 4.03Å
515	T	97.7	Very high	97.8	Very high	65 Å²	65	32.2 Å²	32.2	40%	0.399	17%	0.165	S	C	.	.			trans	-80.1	162.3	168.9	76.9	0	0	0	0	110.1	A513 E517 I518 L519	A513-T515 PolarHBondContact O-N 3.19Å; T515-E517 WeakPolarHBondContact CB-OE2 3.26Å; T515-E517 PolarHBondContact O-N 3.03Å; T515-E517 PolarHBondContact OG1-OE2 3.42Å; T515-I518 HydrophobicContact CG2-CD1 4.48Å; T515-I518 WeakPolarHBondContact O-CB 3.21Å; T515-I518 PolarHBondContact O-N 3Å; T515-I518 VanDerWaalsContact O-N 3.1Å; T515-I518 PolarHBondContact OG1-N 3.32Å; T515-L519 PolarHBondContact O-N 2.98Å
516	K	96.8	Very high	97.9	Very high	116 Å²	116	32.1 Å²	32.1	50%	0.504	17%	0.165	S	C	.	.	H	α-helix	trans	-56.1	-39.5	177	-170.6	-178.8	175.5	-170.2	0	111.8	Y446 I518 L519 D520	Y446-K516 HydrophobicContact CE1-CG 4.42Å; K516-I518 VanDerWaalsContact C-N 3.34Å; K516-I518 PolarHBondContact O-N 2.75Å; K516-L519 PolarHBondContact O-N 2.87Å; K516-L519 VanDerWaalsContact O-N 3.16Å; K516-D520 WeakPolarHBondContact O-CB 3.37Å; K516-D520 PolarHBondContact O-N 3.42Å
517	E	98.2	Very high	98	Very high	124 Å²	124	34.3 Å²	34.3	58%	0.579	18%	0.176	S	C	*	.	H	α-helix	trans	-65.4	-36.7	179.4	-55.6	70	-148.2	0	0	112.1	T515 T521	T515-E517 WeakPolarHBondContact CB-OE2 3.26Å; T515-E517 PolarHBondContact O-N 3.03Å; T515-E517 PolarHBondContact OG1-OE2 3.42Å; E517-T521 WeakPolarHBondContact O-CB 3.37Å; E517-T521 PolarHBondContact O-N 2.77Å; E517-T521 PolarHBondContact O-OG1 2.96Å
518	I	98.2	Very high	98	Very high	20 Å²	20	37 Å²	37	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-45.5	173.6	-68	175.7	0	0	0	109.8	A142 I169 T515 K516 T521 A522	A142-I518 HydrophobicContact CB-CD1 4.26Å; I169-I518 HydrophobicContact CD1-CG2 4.23Å; I169-I518 HydrophobicContact CG1-CG2 4.3Å; I169-I518 HydrophobicContact CG2-CG2 3.51Å; T515-I518 HydrophobicContact CG2-CD1 4.48Å; T515-I518 WeakPolarHBondContact O-CB 3.21Å; T515-I518 PolarHBondContact O-N 3Å; T515-I518 VanDerWaalsContact O-N 3.1Å; T515-I518 PolarHBondContact OG1-N 3.32Å; K516-I518 VanDerWaalsContact C-N 3.34Å; K516-I518 PolarHBondContact O-N 2.75Å; I518-T521 PolarHBondContact O-N 2.91Å; I518-A522 WeakPolarHBondContact O-CB 3.46Å; I518-A522 PolarHBondContact O-N 3.13Å
519	L	98.6	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-42.3	178.6	-64.1	179.6	0	0	0	111.7	M171 N443 Y446 F447 L510 H514 T515 K516 T521 A522 L523	M171-L519 HydrophobicContact CE-CD2 4.04Å; N443-L519 HydrophobicContact CB-CD1 3.83Å; Y446-L519 HydrophobicContact CD1-CB 4.35Å; Y446-L519 HydrophobicContact CD1-CD1 4.03Å; Y446-L519 HydrophobicContact CE1-CB 4.2Å; F447-L519 HydrophobicContact CD2-CD2 4.08Å; L510-L519 HydrophobicContact CD1-CD2 3.93Å; H514-L519 HydrophobicContact CB-CD1 4.49Å; H514-L519 HydrophobicContact CB-CD2 3.8Å; H514-L519 HydrophobicContact CB-CG 4.03Å; T515-L519 PolarHBondContact O-N 2.98Å; K516-L519 PolarHBondContact O-N 2.87Å; K516-L519 VanDerWaalsContact O-N 3.16Å; L519-T521 VanDerWaalsContact C-N 3.33Å; L519-T521 PolarHBondContact O-N 3.15Å; L519-A522 PolarHBondContact O-N 2.72Å; L519-L523 VanDerWaalsContact O-CB 3.29Å; L519-L523 WeakPolarHBondContact O-CB 3.29Å; L519-L523 VanDerWaalsContact O-CG 3.23Å; L519-L523 WeakPolarHBondContact O-CG 3.45Å; L519-L523 PolarHBondContact O-N 3.06Å
520	D	98.5	Very high	98.1	Very high	61 Å²	61	37 Å²	37	33%	0.326	19%	0.19	S	C	.	.	H	α-helix	trans	-62.5	-42.1	177.6	-71.3	-15	0	0	0	111.4	Y446 K516 L523 K524	Y446-D520 WeakPolarHBondContact CE1-OD1 3.46Å; Y446-D520 VanDerWaalsContact CZ-OD1 3.3Å; Y446-D520 PolarHBondContact OH-OD1 3.03Å; K516-D520 WeakPolarHBondContact O-CB 3.37Å; K516-D520 PolarHBondContact O-N 3.42Å; D520-L523 PolarHBondContact O-N 2.78Å; D520-K524 WeakPolarHBondContact O-CB 3.5Å; D520-K524 PolarHBondContact O-N 3.4Å
521	T	98.6	Very high	98.1	Very high	61 Å²	61	41.3 Å²	41.3	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-50.6	173.1	-55.1	0	0	0	0	110.4	I169 E517 I518 L519 L523 K524 E525	I169-T521 HydrophobicContact CD1-CG2 3.88Å; E517-T521 WeakPolarHBondContact O-CB 3.37Å; E517-T521 PolarHBondContact O-N 2.77Å; E517-T521 PolarHBondContact O-OG1 2.96Å; I518-T521 PolarHBondContact O-N 2.91Å; L519-T521 VanDerWaalsContact C-N 3.33Å; L519-T521 PolarHBondContact O-N 3.15Å; T521-L523 PolarHBondContact O-N 2.92Å; T521-K524 PolarHBondContact O-N 2.99Å; T521-E525 WeakPolarHBondContact O-CG 3.4Å; T521-E525 PolarHBondContact O-N 3.03Å; T521-E525 VanDerWaalsContact O-N 3.1Å
522	A	98.4	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-44.1	-179.9	0	0	0	0	0	112	M171 I518 L519 E525 I526	M171-A522 HydrophobicContact CE-CB 4.44Å; M171-A522 HydrophobicContact SD-CB 4.3Å; I518-A522 WeakPolarHBondContact O-CB 3.46Å; I518-A522 PolarHBondContact O-N 3.13Å; L519-A522 PolarHBondContact O-N 2.72Å; A522-E525 PolarHBondContact O-N 2.85Å; A522-I526 WeakPolarHBondContact O-CB 3.25Å; A522-I526 WeakPolarHBondContact O-CD1 3.35Å; A522-I526 WeakPolarHBondContact O-CG1 3.5Å; A522-I526 PolarHBondContact O-N 3.28Å
523	L	98.7	Very high	98	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-43.4	178.4	-77.2	166.8	0	0	0	111.9	Y446 F447 R450 L451 M454 L519 D520 T521 I526 D527	Y446-L523 HydrophobicContact CE1-CD1 3.85Å; F447-L523 HydrophobicContact CD2-CD1 4.11Å; F447-L523 HydrophobicContact CD2-CD2 3.63Å; F447-L523 HydrophobicContact CD2-CG 3.7Å; F447-L523 HydrophobicContact CE2-CD2 3.59Å; F447-L523 HydrophobicContact CE2-CG 3.72Å; F447-L523 HydrophobicContact CG-CD2 4.35Å; F447-L523 HydrophobicContact CZ-CD2 4.29Å; R450-L523 HydrophobicContact CB-CD1 3.58Å; R450-L523 HydrophobicContact CB-CD2 3.79Å; R450-L523 HydrophobicContact CB-CG 4.31Å; R450-L523 HydrophobicContact CG-CD1 3.77Å; L451-L523 HydrophobicContact CD2-CD2 3.74Å; L451-L523 HydrophobicContact CG-CD2 3.92Å; M454-L523 HydrophobicContact CE-CB 3.97Å; M454-L523 HydrophobicContact SD-CD2 4.34Å; L519-L523 VanDerWaalsContact O-CB 3.29Å; L519-L523 WeakPolarHBondContact O-CB 3.29Å; L519-L523 VanDerWaalsContact O-CG 3.23Å; L519-L523 WeakPolarHBondContact O-CG 3.45Å; L519-L523 PolarHBondContact O-N 3.06Å; D520-L523 PolarHBondContact O-N 2.78Å; T521-L523 PolarHBondContact O-N 2.92Å; L523-I526 PolarHBondContact O-N 2.8Å; L523-D527 WeakPolarHBondContact O-CB 3.34Å; L523-D527 PolarHBondContact O-N 3.41Å
524	K	98.6	Very high	98	Very high	118 Å²	118	52.4 Å²	52.4	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-50.1	174.8	-178	-165.9	168.8	-152.5	0	111.3	D520 T521 I526 D527 E528	D520-K524 WeakPolarHBondContact O-CB 3.5Å; D520-K524 PolarHBondContact O-N 3.4Å; T521-K524 PolarHBondContact O-N 2.99Å; K524-I526 VanDerWaalsContact C-N 3.33Å; K524-I526 PolarHBondContact O-N 2.87Å; K524-D527 WeakPolarHBondContact O-CB 3.35Å; K524-D527 PolarHBondContact O-N 3.18Å; K524-E528 WeakPolarHBondContact CE-OE1 3.18Å; K524-E528 IonicContact NZ-OE1 3.63Å; K524-E528 PolarHBondContact O-N 2.92Å; K524-E528 VanDerWaalsContact O-N 3.1Å
525	E	98.6	Very high	97.9	Very high	30 Å²	30	52.2 Å²	52.2	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-35.8	-179.9	-61.1	-53	144.5	0	0	111.9	M484 R487 V489 T521 A522 V529	M484-E525 HydrophobicContact CE-CB 4.46Å; R487-E525 HydrophobicContact CB-CB 4.21Å; R487-E525 HydrophobicContact CB-CG 4.04Å; R487-E525 WeakPolarHBondContact CB-OE2 3.26Å; R487-E525 WeakPolarHBondContact CD-OE2 3.35Å; R487-E525 WeakPolarHBondContact CG-OE2 3.36Å; R487-E525 IonicContact NE-OE2 2.91Å; R487-E525 PolarHBondContact NE-OE2 2.98Å; V489-E525 HydrophobicContact CG2-CB 4.19Å; V489-E525 HydrophobicContact CG2-CG 4.27Å; T521-E525 WeakPolarHBondContact O-CG 3.4Å; T521-E525 PolarHBondContact O-N 3.03Å; T521-E525 VanDerWaalsContact O-N 3.1Å; A522-E525 PolarHBondContact O-N 2.85Å; E525-V529 WeakPolarHBondContact O-CB 3.28Å; E525-V529 VanDerWaalsContact O-CG2 3.28Å; E525-V529 WeakPolarHBondContact O-CG2 3.5Å; E525-V529 PolarHBondContact O-N 2.7Å; E525-V529 VanDerWaalsContact O-N 3.07Å
526	I	98.6	Very high	97.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-43.3	173.5	-69.7	161.9	0	0	0	110.8	F447 L451 F456 L469 M484 F508 A522 L523 K524 V529 G530	F447-I526 HydrophobicContact CE2-CD1 4Å; F447-I526 HydrophobicContact CZ-CD1 3.57Å; L451-I526 HydrophobicContact CD2-CD1 4.38Å; L451-I526 HydrophobicContact CD2-CG2 3.74Å; F456-I526 HydrophobicContact CE1-CG2 4.49Å; F456-I526 HydrophobicContact CE2-CG2 3.84Å; F456-I526 HydrophobicContact CZ-CG2 3.77Å; L469-I526 HydrophobicContact CD1-CG2 3.95Å; M484-I526 HydrophobicContact CE-CB 4.42Å; M484-I526 HydrophobicContact CE-CD1 4.37Å; M484-I526 HydrophobicContact CE-CG1 3.38Å; M484-I526 HydrophobicContact SD-CG1 4.2Å; F508-I526 HydrophobicContact CD1-CD1 4.36Å; F508-I526 HydrophobicContact CE1-CD1 3.59Å; F508-I526 HydrophobicContact CE1-CG1 4.19Å; F508-I526 HydrophobicContact CE2-CD1 4.37Å; F508-I526 HydrophobicContact CZ-CD1 3.6Å; F508-I526 HydrophobicContact CZ-CG1 3.97Å; A522-I526 WeakPolarHBondContact O-CB 3.25Å; A522-I526 WeakPolarHBondContact O-CD1 3.35Å; A522-I526 WeakPolarHBondContact O-CG1 3.5Å; A522-I526 PolarHBondContact O-N 3.28Å; L523-I526 PolarHBondContact O-N 2.8Å; K524-I526 VanDerWaalsContact C-N 3.33Å; K524-I526 PolarHBondContact O-N 2.87Å; I526-V529 PolarHBondContact O-N 3.07Å; I526-G530 WeakPolarHBondContact O-CA 3.33Å; I526-G530 PolarHBondContact O-N 3.48Å
527	D	98.4	Very high	97.4	Very high	45 Å²	45	48.3 Å²	48.3	24%	0.241	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-49.4	-179.8	-165.7	45.4	0	0	0	111.3	M454 L523 K524 V529 G530 D531 K536	M454-D527 HydrophobicContact CE-CB 3.95Å; M454-D527 HydrophobicContact SD-CB 3.91Å; L523-D527 WeakPolarHBondContact O-CB 3.34Å; L523-D527 PolarHBondContact O-N 3.41Å; K524-D527 WeakPolarHBondContact O-CB 3.35Å; K524-D527 PolarHBondContact O-N 3.18Å; D527-V529 PolarHBondContact O-N 2.91Å; D527-G530 WeakPolarHBondContact O-CA 3.2Å; D527-G530 PolarHBondContact O-N 3.28Å; D527-G530 VanDerWaalsContact O-N 3.11Å; D527-D531 PolarHBondContact O-N 3.1Å; D527-K536 WeakPolarHBondContact OD1-CE 3.45Å; D527-K536 IonicContact OD1-NZ 3.65Å; D527-K536 PolarHBondContact OD1-NZ 3.46Å; D527-K536 IonicContact OD2-NZ 3.42Å
528	E	98.4	Very high	97	Very high	81 Å²	81	43.9 Å²	43.9	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-44.2	177.4	-69.7	-176.6	-166.1	0	0	112.4	K524 G530 D531 L532	K524-E528 WeakPolarHBondContact CE-OE1 3.18Å; K524-E528 IonicContact NZ-OE1 3.63Å; K524-E528 PolarHBondContact O-N 2.92Å; K524-E528 VanDerWaalsContact O-N 3.1Å; E528-G530 VanDerWaalsContact C-N 3.28Å; E528-G530 PolarHBondContact O-N 2.65Å; E528-D531 PolarHBondContact O-N 3.12Å; E528-L532 WeakPolarHBondContact O-CB 3.07Å; E528-L532 PolarHBondContact O-N 2.84Å
529	V	98.4	Very high	96.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-32.9	176.1	174.3	0	0	0	0	111	F480 E483 M484 E525 I526 D527 L532 L533	F480-V529 HydrophobicContact CD2-CG1 3.52Å; F480-V529 HydrophobicContact CE2-CB 4.4Å; F480-V529 HydrophobicContact CE2-CG1 3.76Å; F480-V529 HydrophobicContact CG-CG1 4.38Å; E483-V529 HydrophobicContact CB-CG1 3.98Å; E483-V529 HydrophobicContact CB-CG2 3.9Å; M484-V529 HydrophobicContact SD-CB 4.03Å; M484-V529 HydrophobicContact SD-CG1 4.31Å; M484-V529 HydrophobicContact SD-CG2 3.81Å; E525-V529 WeakPolarHBondContact O-CB 3.28Å; E525-V529 VanDerWaalsContact O-CG2 3.28Å; E525-V529 WeakPolarHBondContact O-CG2 3.5Å; E525-V529 PolarHBondContact O-N 2.7Å; E525-V529 VanDerWaalsContact O-N 3.07Å; I526-V529 PolarHBondContact O-N 3.07Å; D527-V529 PolarHBondContact O-N 2.91Å; V529-L532 PolarHBondContact O-N 2.85Å; V529-L533 HydrophobicContact CG1-CD1 3.78Å; V529-L533 HydrophobicContact CG1-CG 4.23Å; V529-L533 WeakPolarHBondContact O-CB 3.41Å; V529-L533 WeakPolarHBondContact O-CG 3.19Å; V529-L533 PolarHBondContact O-N 3.39Å
530	G	97.6	Very high	95.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-42.7	174.4	0	0	0	0	0	112.7	I526 D527 E528 Q534 L535	I526-G530 WeakPolarHBondContact O-CA 3.33Å; I526-G530 PolarHBondContact O-N 3.48Å; D527-G530 WeakPolarHBondContact O-CA 3.2Å; D527-G530 PolarHBondContact O-N 3.28Å; D527-G530 VanDerWaalsContact O-N 3.11Å; E528-G530 VanDerWaalsContact C-N 3.28Å; E528-G530 PolarHBondContact O-N 2.65Å; G530-Q534 CarbonylContact O-C 3.42Å; G530-Q534 WeakPolarHBondContact O-CA 3.31Å; G530-Q534 PolarHBondContact O-N 3.4Å; G530-L535 PolarHBondContact O-N 3.06Å
531	D	97.8	Very high	93.1	Very high	91 Å²	91	66 Å²	66	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-46.7	174	-73.1	-31.4	0	0	0	111.6	D527 E528 L533 Q534 K536	D527-D531 PolarHBondContact O-N 3.1Å; E528-D531 PolarHBondContact O-N 3.12Å; D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 3.22Å; D531-Q534 PolarHBondContact O-N 3.36Å; D531-K536 VanDerWaalsContact OD1-CD 3.24Å; D531-K536 WeakPolarHBondContact OD1-CD 3.31Å; D531-K536 WeakPolarHBondContact OD1-CE 3.33Å; D531-K536 IonicContact OD1-NZ 3.69Å; D531-K536 PolarHBondContact OD1-NZ 3.19Å; D531-K536 IonicContact OD2-NZ 2.82Å; D531-K536 PolarHBondContact OD2-NZ 3.38Å
532	L	97.8	Very high	91.2	Very high	102 Å²	102	67.6 Å²	67.6	53%	0.534	31%	0.308	S	S	.	.	H	α-helix	trans	-56.6	-40.8	178.9	178.5	63.5	0	0	0	112.5	E483 E528 V529	E483-L532 HydrophobicContact CG-CD2 4.12Å; E528-L532 WeakPolarHBondContact O-CB 3.07Å; E528-L532 PolarHBondContact O-N 2.84Å; V529-L532 PolarHBondContact O-N 2.85Å
533	L	96.9	Very high	88.7	Confident	28 Å²	28	73.6 Å²	73.6	15%	0.147	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.2	-177.4	-60.7	-178	0	0	0	113.3	K476 A479 F480 V529 D531 L535	K476-L533 WeakPolarHBondContact CD-O 3.36Å; K476-L533 WeakPolarHBondContact CE-O 3.44Å; K476-L533 PolarHBondContact NZ-O 2.86Å; A479-L533 HydrophobicContact CB-CD1 3.99Å; A479-L533 HydrophobicContact CB-CD2 3.85Å; F480-L533 HydrophobicContact CB-CD1 3.89Å; F480-L533 HydrophobicContact CD2-CD1 4.12Å; V529-L533 HydrophobicContact CG1-CD1 3.78Å; V529-L533 HydrophobicContact CG1-CG 4.23Å; V529-L533 WeakPolarHBondContact O-CB 3.41Å; V529-L533 WeakPolarHBondContact O-CG 3.19Å; V529-L533 PolarHBondContact O-N 3.39Å; D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 3.22Å; L533-L535 HydrophobicContact CB-CD1 3.77Å; L533-L535 HydrophobicContact CB-CG 3.79Å; L533-L535 HydrophobicContact CD1-CD1 4.13Å
534	Q	95.9	Very high	85.9	Confident	151 Å²	151	78.1 Å²	78.1	71%	0.706	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	60.2	-176.9	-58.5	-178.8	-25.3	0	0	112.2	K476 G530 D531 Y537	K476-Q534 PolarHBondContact NZ-O 2.67Å; G530-Q534 CarbonylContact O-C 3.42Å; G530-Q534 WeakPolarHBondContact O-CA 3.31Å; G530-Q534 PolarHBondContact O-N 3.4Å; D531-Q534 PolarHBondContact O-N 3.36Å; Q534-Y537 VanDerWaalsContact O-CE1 3.29Å; Q534-Y537 WeakPolarHBondContact O-CE1 3.47Å
535	L	95.5	Very high	83.3	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.384	C	S	.	.			trans	-105.3	-2	-175.5	-67.6	172.4	0	0	0	114	F456 L471 K476 F480 G530 L533 Y537	F456-L535 HydrophobicContact CD1-CB 4.25Å; F456-L535 HydrophobicContact CE1-CB 3.88Å; L471-L535 HydrophobicContact CD2-CD1 3.62Å; L471-L535 HydrophobicContact CD2-CD2 3.98Å; L471-L535 HydrophobicContact CD2-CG 4.43Å; K476-L535 HydrophobicContact CB-CD2 4.33Å; K476-L535 HydrophobicContact CD-CD2 3.51Å; K476-L535 HydrophobicContact CD-CG 4.39Å; F480-L535 HydrophobicContact CD2-CD1 3.48Å; F480-L535 VanDerWaalsContact CD2-CD1 3.48Å; F480-L535 HydrophobicContact CE2-CD1 3.91Å; F480-L535 HydrophobicContact CG-CD1 4.49Å; G530-L535 PolarHBondContact O-N 3.06Å; L533-L535 HydrophobicContact CB-CD1 3.77Å; L533-L535 HydrophobicContact CB-CG 3.79Å; L533-L535 HydrophobicContact CD1-CD1 4.13Å; L535-Y537 VanDerWaalsContact C-N 3.28Å; L535-Y537 HydrophobicContact CB-CE2 4.31Å; L535-Y537 HydrophobicContact CD2-CE2 3.74Å; L535-Y537 WeakPolarHBondContact O-CD2 3.17Å; L535-Y537 PolarHBondContact O-N 3.49Å
536	K	93.9	Very high	80.4	Confident	67 Å²	67	85 Å²	85	29%	0.291	42%	0.416	S	S	.	.			trans	-81.7	73.9	177.9	-63.7	176.3	176.8	175.5	0	110.2	M454 G455 F456 D527 D531	M454-K536 WeakPolarHBondContact O-CD 3.21Å; M454-K536 WeakPolarHBondContact O-CE 3.47Å; M454-K536 WeakPolarHBondContact O-CG 3.33Å; G455-K536 CarbonylContact O-C 3.52Å; G455-K536 WeakPolarHBondContact O-CA 3.5Å; F456-K536 HydrophobicContact CD1-CG 4.48Å; F456-K536 HydrophobicContact CE1-CG 4.2Å; F456-K536 HydrophobicContact CZ-CG 4.25Å; D527-K536 WeakPolarHBondContact OD1-CE 3.45Å; D527-K536 IonicContact OD1-NZ 3.65Å; D527-K536 PolarHBondContact OD1-NZ 3.46Å; D527-K536 IonicContact OD2-NZ 3.42Å; D531-K536 VanDerWaalsContact OD1-CD 3.24Å; D531-K536 WeakPolarHBondContact OD1-CD 3.31Å; D531-K536 WeakPolarHBondContact OD1-CE 3.33Å; D531-K536 IonicContact OD1-NZ 3.69Å; D531-K536 PolarHBondContact OD1-NZ 3.19Å; D531-K536 IonicContact OD2-NZ 2.82Å; D531-K536 PolarHBondContact OD2-NZ 3.38Å
537	Y	90	Very high	77.6	Confident	32 Å²	32	93 Å²	93	13%	0.125	46%	0.458	C	S	.	.			trans	-85.8	-14.7	-172.3	-59.4	-65.3	0	0	0	114.7	V68 G455 L471 Y472 K476 Q534 L535 R539	V68-Y537 HydrophobicContact CG1-CE1 4.23Å; V68-Y537 HydrophobicContact CG2-CD1 3.68Å; V68-Y537 HydrophobicContact CG2-CE1 3.72Å; V68-Y537 HydrophobicContact CG2-CG 4.49Å; G455-Y537 PolarHBondContact O-N 2.59Å; L471-Y537 PolarHBondContact O-OH 2.86Å; Y472-Y537 AromaticContact CD2-CD2 3.62Å; Y472-Y537 HydrophobicContact CD2-CD2 3.62Å; Y472-Y537 AromaticContact CD2-CE2 3.4Å; Y472-Y537 HydrophobicContact CD2-CE2 3.4Å; Y472-Y537 VanDerWaalsContact CD2-CE2 3.4Å; Y472-Y537 HydrophobicContact CD2-CG 4.37Å; Y472-Y537 AromaticContact CD2-CZ 3.99Å; Y472-Y537 AromaticContact CE2-CD2 3.5Å; Y472-Y537 HydrophobicContact CE2-CD2 3.5Å; Y472-Y537 AromaticContact CE2-CE2 3.82Å; Y472-Y537 HydrophobicContact CE2-CE2 3.82Å; Y472-Y537 HydrophobicContact CE2-CG 4.13Å; K476-Y537 WeakPolarHBondContact CD-OH 3.38Å; K476-Y537 PolarHBondContact NZ-OH 2.81Å; Q534-Y537 VanDerWaalsContact O-CE1 3.29Å; Q534-Y537 WeakPolarHBondContact O-CE1 3.47Å; L535-Y537 VanDerWaalsContact C-N 3.28Å; L535-Y537 HydrophobicContact CB-CE2 4.31Å; L535-Y537 HydrophobicContact CD2-CE2 3.74Å; L535-Y537 WeakPolarHBondContact O-CD2 3.17Å; L535-Y537 PolarHBondContact O-N 3.49Å; Y537-R539 PolarHBondContact O-N 3.02Å
538	S	88.9	Confident	74.4	Confident	30 Å²	30	100.7 Å²	100.7	21%	0.21	48%	0.484	C	S	.	.			trans	-60.2	132.9	-173.3	175.1	0	0	0	0	111.2	E62 G455 H540	E62-S538 WeakPolarHBondContact OE2-CA 3.49Å; E62-S538 PolarHBondContact OE2-OG 2.86Å; G455-S538 WeakPolarHBondContact O-CB 3.48Å; G455-S538 PolarHBondContact O-N 2.89Å; S538-H540 PolarHBondContact OG-N 2.7Å; S538-H540 PolarHBondContact OG-O 3.22Å
539	R	83.3	Confident	71.2	Confident	176 Å²	176	102.6 Å²	102.6	66%	0.664	50%	0.503	S	S	*	.			trans	-88.1	-18.6	172.6	-61.8	169.2	-176.4	178.9	-0.5	111.9	E62 Y537 R541	E62-R539 WeakPolarHBondContact OE1-CB 3.42Å; E62-R539 WeakPolarHBondContact OE1-CG 3.42Å; E62-R539 PolarHBondContact OE1-N 3.1Å; E62-R539 PolarHBondContact OE2-N 2.93Å; Y537-R539 PolarHBondContact O-N 3.02Å; R539-R541 PolarHBondContact O-N 3Å
540	H	75.8	Confident	68.1	Low	129 Å²	129	112.8 Å²	112.8	60%	0.597	55%	0.548	S	S	*	.			trans	-81.6	106.8	177.9	-62.4	-69.2	0	0	0	109.3	E62 S538 L542	E62-H540 IonicContact OE2-CD2 3.8Å; S538-H540 PolarHBondContact OG-N 2.7Å; S538-H540 PolarHBondContact OG-O 3.22Å; H540-L542 PolarHBondContact O-N 3.47Å
541	R	56.2	Low	65	Low	240 Å²	240	119 Å²	119	91%	0.906	58%	0.581	S	S	*	*			trans	-78.1	103.5	162.5	-96.1	-176	174.2	-179.2	-1.7	108.1	R539 V543	R539-R541 PolarHBondContact O-N 3Å; R541-V543 PolarHBondContact O-N 3.12Å
542	L	57.4	Low	61.9	Low	96 Å²	96	123.6 Å²	123.6	50%	0.503	60%	0.6	S	S	.	*			trans	-63.8	114.6	157.7	-81.1	150.3	0	0	0	106.9	K452 H540	K452-L542 HydrophobicContact CB-CD1 3.61Å; K452-L542 HydrophobicContact CD-CD1 4.39Å; H540-L542 PolarHBondContact O-N 3.47Å
543	V	45.3	Very low	58.7	Low	125 Å²	125	123.5 Å²	123.5	76%	0.758	60%	0.604	S	S	*	*			trans	-63.9	126.1	171.3	-177.7	0	0	0	0	106.6	R541 L545	R541-V543 PolarHBondContact O-N 3.12Å; V543-L545 PolarHBondContact O-N 3.2Å
544	P	41.8	Very low	55.5	Low	100 Å²	100	128 Å²	128	65%	0.649	63%	0.632	S	S	*	*			trans	-61.2	117	179.5	-18.1	29.5	0	0	0	109.2	L546	P544-L546 PolarHBondContact O-N 3Å
545	L	43.8	Very low	52.5	Low	138 Å²	138	131.4 Å²	131.4	72%	0.723	64%	0.64	S	S	*	*			trans	-66.2	102.2	163.3	-86.4	156.8	0	0	0	106.7	V543 D547	V543-L545 PolarHBondContact O-N 3.2Å; L545-D547 PolarHBondContact O-N 3.36Å
546	L	37.6	Very low	49.5	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	68%	0.678	S	S	*	*			trans	-47.1	130.9	169.1	-85.3	151.7	0	0	0	109.5	P544 R548	P544-L546 PolarHBondContact O-N 3Å; L546-R548 PolarHBondContact O-N 3.12Å
547	D	38.2	Very low	46.4	Very low	167 Å²	167	145.2 Å²	145.2	89%	0.893	71%	0.706	S	S	*	*			trans	-16.6	93.6	176.8	-71	-38.1	0	0	0	114.2	L545	L545-D547 PolarHBondContact O-N 3.36Å
548	R	32.7	Very low	43.5	Very low	207 Å²	207	149.4 Å²	149.4	78%	0.781	74%	0.735	S	S	*	*			trans	-110.8	128.8	162.7	-78.5	-171.1	178.4	-177.6	1.5	108.8	L546	L546-R548 PolarHBondContact O-N 3.12Å
549	P	30.7	Very low	40.6	Very low	121 Å²	121	157 Å²	157	79%	0.786	77%	0.767	S	S	*	*			trans	-59.2	145	170.8	1.9	6.5	0	0	0	109.2	D551	P549-D551 PolarHBondContact O-N 3.12Å
550	F	34.4	Very low	38.2	Very low	214 Å²	214	160 Å²	160	94%	0.939	80%	0.796	S	S	*	*			trans	-50.6	111.8	172.4	-100.3	-100.8	0	0	0	109.8
551	D	30.9	Very low	36.4	Very low	129 Å²	129	161.6 Å²	161.6	69%	0.69	81%	0.806	S	S	*	*			trans	-127	126	161.9	-158.7	-6.9	0	0	0	107.6	P549 T553	P549-D551 PolarHBondContact O-N 3.12Å; D551-T553 PolarHBondContact O-N 3.36Å
552	E	33.7	Very low	35.3	Very low	189 Å²	189	157.4 Å²	157.4	88%	0.883	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	18.2	-160.4	-75	-171.4	145.9	0	0	115
553	T	30.9	Very low	34.1	Very low	100 Å²	100	160.8 Å²	160.8	61%	0.613	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	9.3	-160.7	54.6	0	0	0	0	118.4	D551	D551-T553 PolarHBondContact O-N 3.36Å
554	T	28	Very low	33.4	Very low	123 Å²	123	162.9 Å²	162.9	76%	0.755	82%	0.821	S	S	*	*			trans	-120.6	120.5	-176.3	-32	0	0	0	0	114.3
555	Y	33.4	Very low	32.9	Very low	221 Å²	221	166.9 Å²	166.9	87%	0.867	83%	0.832	S	S	*	*			trans	-71.2	146	-178.9	-67.9	-96.1	0	0	0	112.7
556	E	33.5	Very low	32.2	Very low	170 Å²	170	168.8 Å²	168.8	79%	0.794	84%	0.839	S	S	*	*			trans	-82.3	115.5	167.9	-69.8	178.8	163.5	0	0	109.6
557	E	28	Very low	31.8	Very low	187 Å²	187	169.8 Å²	169.8	87%	0.874	84%	0.841	S	S	*	*			trans	-88.5	114.3	155.4	-81	-179.1	162.7	0	0	107.4
558	T	28.5	Very low	31.3	Very low	121 Å²	121	170 Å²	170	74%	0.742	84%	0.837	S	S	*	*			trans	-86.5	110.6	162.8	46.2	0	0	0	0	107.4
559	E	28.6	Very low	31.2	Very low	188 Å²	188	166.9 Å²	166.9	88%	0.879	84%	0.842	S	S	*	*			trans	-72.9	135.9	163.7	-74.2	-171.9	153.3	0	0	109.6
560	D	33.7	Very low	31.2	Very low	240 Å²	240	171.1 Å²	171.1	100%	1.283	85%	0.847	S	S	*	*			trans	-56.3	0	-173.4	-73	-45.9	0	0	0	116.3

Retrieved 560 of 560 residues in 177 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).