A0A096NS98_PAPAN Loading...

serine C-palmitoyltransferase

AlphaFold DB (A0A2K5Y0G8), UniProt , Accession A0A096NS98, Species PAPAN (Papio anubis, Olive baboon), Gene SPTLC2, Length 560 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 271 ms (Link to these results)

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