A0A093I9M6_STRCA Loading...

Glutamate carboxypeptidase 2

Also exhibits a dipeptidyl-peptidase IV type activity. In vitro, cleaves Gly-Pro-AMC. Has both folate hydrolase and N-acetylated-alpha-linked-acidic dipeptidase (NAALADase) activity. Has a preference for tri-alpha-glutamate peptides. In the intestine, required for the uptake of folate. In the brain, modulates excitatory neurotransmission through the hydrolysis of the neuropeptide, N-aceylaspartylglutamate (NAAG), thereby releasing glutamate.

AlphaFold DB , UniProt , Accession A0A093I9M6, Species STRCA (Struthio camelus australis), Gene n/a, Length 740 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	38.4	Very low	239 Å²	239	165.3 Å²	165.3	100%	1.177	86%	0.86	S	S	*	*				0	98.9	0	-68.3	-176.1	-125.6	0	0	106.6
2	A	35.9	Very low	39.2	Very low	109 Å²	109	165.3 Å²	165.3	90%	0.901	86%	0.86	S	S	*	*				71.4	122.2	107.7	0	0	0	0	0	111.5
3	G	34.2	Very low	39.8	Very low	72 Å²	72	157 Å²	157	74%	0.742	84%	0.84	S	S	*	*			cis	164.6	166.8	5.1	0	0	0	0	0	108.5
4	S	34.9	Very low	40.8	Very low	114 Å²	114	153.6 Å²	153.6	80%	0.797	83%	0.833	S	S	*	*			trans	73.9	110.5	160.9	-170	0	0	0	0	118.3
5	R	37.8	Very low	41.6	Very low	232 Å²	232	149.5 Å²	149.5	88%	0.875	82%	0.818	S	S	*	*				77.4	124.4	67.1	-82.6	-167.7	175.5	-179.8	-0.3	116.3
6	T	38.4	Very low	42.4	Very low	114 Å²	114	143.4 Å²	143.4	70%	0.699	80%	0.799	S	S	*	*			trans	97.7	120.9	136	25.7	0	0	0	0	123.8
7	T	38.7	Very low	43.3	Very low	125 Å²	125	142.9 Å²	142.9	77%	0.767	79%	0.794	S	S	*	*			trans	71.2	117.9	137.8	42	0	0	0	0	120.2
8	L	38.8	Very low	44.5	Very low	144 Å²	144	141.4 Å²	141.4	75%	0.754	78%	0.784	S	S	*	*				82.6	124.9	67	-156.7	97.7	0	0	0	113.5
9	R	41.7	Very low	45.8	Very low	225 Å²	225	135.6 Å²	135.6	85%	0.849	76%	0.759	S	S	*	*			trans	81.2	108.3	165.2	-73.7	174.5	178.2	-179.7	-1.6	118.6
10	M	36.8	Very low	47.1	Very low	191 Å²	191	133.4 Å²	133.4	94%	0.941	75%	0.752	S	S	*	*			trans	-162.6	84	133.7	-115.7	179.8	160	0	0	110.5
11	W	48.4	Very low	48.3	Very low	253 Å²	253	133.9 Å²	133.9	96%	0.958	75%	0.746	S	S	*	*			trans	-119.4	132.6	149.5	-93.8	61.5	0	0	0	104.9
12	L	48.9	Very low	50.2	Low	165 Å²	165	127 Å²	127	86%	0.864	71%	0.714	S	S	*	*			trans	122.1	66.2	177.3	-67.3	156.4	0	0	0	112.2
13	G	46.8	Very low	52.1	Low	58 Å²	58	127.2 Å²	127.2	60%	0.598	70%	0.699	S	S	*	*	S	Bend	trans	-131	3.1	169.4	0	0	0	0	0	114.7
14	C	53.6	Low	53.8	Low	110 Å²	110	125.7 Å²	125.7	74%	0.743	68%	0.683	S	S	*	*	S	Bend	trans	-110	-23.4	-175.6	-84.5	0	0	0	0	116.9
15	P	52.5	Low	55.6	Low	92 Å²	92	124.8 Å²	124.8	60%	0.597	67%	0.669	S	S	*	*	H	α-helix	trans	-75.9	-31.9	179.4	-15.7	29.6	0	0	0	113.8	G19	P15-G19 PolarHBondContact O-N 3.11Å
16	G	54.6	Low	57.2	Low	51 Å²	51	118 Å²	118	53%	0.526	65%	0.65	S	S	.	*	H	α-helix	trans	-70.7	-37.9	-175.3	0	0	0	0	0	113.8	G19 C20	G16-G19 PolarHBondContact O-N 2.65Å; G16-C20 PolarHBondContact O-N 2.95Å; G16-C20 PolarHBondContact O-SG 2.64Å; G16-C20 VanDerWaalsContact O-SG 3.33Å
17	L	58	Low	58.5	Low	135 Å²	135	116.2 Å²	116.2	71%	0.707	64%	0.639	S	S	*	*	H	α-helix	trans	-70	-36.7	-179.9	-81.3	161	0	0	0	112.4	F21	L17-F21 WeakPolarHBondContact O-CB 3.42Å; L17-F21 PolarHBondContact O-N 3.37Å
18	L	64.7	Low	59.6	Low	116 Å²	116	112.4 Å²	112.4	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-70.4	-37.6	175.5	-152.3	80.3	0	0	0	111.4	F21 L22	L18-F21 PolarHBondContact O-N 2.99Å; L18-L22 HydrophobicContact CG-CD1 4.4Å; L18-L22 WeakPolarHBondContact O-CB 3.12Å; L18-L22 WeakPolarHBondContact O-CG 3.29Å; L18-L22 PolarHBondContact O-N 2.73Å
19	G	69.7	Low	60.8	Low	31 Å²	31	114.5 Å²	114.5	32%	0.32	62%	0.623	S	S	.	*	H	α-helix	trans	-62.5	-44.5	173.7	0	0	0	0	0	112.7	P15 G16 L22 L23	P15-G19 PolarHBondContact O-N 3.11Å; G16-G19 PolarHBondContact O-N 2.65Å; G19-L22 PolarHBondContact O-N 3.2Å; G19-L23 WeakPolarHBondContact O-CB 3.24Å; G19-L23 PolarHBondContact O-N 3.33Å
20	C	70.3	Confident	61.7	Low	91 Å²	91	111.6 Å²	111.6	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-66.8	-35.9	175.3	-68.9	0	0	0	0	112.7	G16 G24	G16-C20 PolarHBondContact O-N 2.95Å; G16-C20 PolarHBondContact O-SG 2.64Å; G16-C20 VanDerWaalsContact O-SG 3.33Å; C20-G24 PolarHBondContact O-N 3.35Å
21	F	73.1	Confident	62.1	Low	144 Å²	144	107.3 Å²	107.3	63%	0.632	60%	0.601	S	S	*	*	H	α-helix	trans	-68.1	-41.8	176.7	-167.7	-99.5	0	0	0	112.1	L17 L18 G24 L25	L17-F21 WeakPolarHBondContact O-CB 3.42Å; L17-F21 PolarHBondContact O-N 3.37Å; L18-F21 PolarHBondContact O-N 2.99Å; F21-G24 PolarHBondContact O-N 2.98Å; F21-L25 HydrophobicContact CD1-CD1 3.92Å; F21-L25 HydrophobicContact CE1-CD1 3.58Å; F21-L25 HydrophobicContact CZ-CD1 4.35Å; F21-L25 PolarHBondContact O-N 3.4Å
22	L	75.8	Confident	61.7	Low	94 Å²	94	103.1 Å²	103.1	49%	0.492	59%	0.59	S	S	.	*	H	α-helix	trans	-70.2	-36.7	176.3	-73.2	166.8	0	0	0	112.4	L18 G19 L25 L26	L18-L22 HydrophobicContact CG-CD1 4.4Å; L18-L22 WeakPolarHBondContact O-CB 3.12Å; L18-L22 WeakPolarHBondContact O-CG 3.29Å; L18-L22 PolarHBondContact O-N 2.73Å; G19-L22 PolarHBondContact O-N 3.2Å; L22-L25 PolarHBondContact O-N 2.95Å; L22-L26 WeakPolarHBondContact O-CB 3.37Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 2.95Å
23	L	75.8	Confident	61.3	Low	114 Å²	114	100 Å²	100	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-36.2	171.2	-106.4	120.9	0	0	0	112.3	G19 T27	G19-L23 WeakPolarHBondContact O-CB 3.24Å; G19-L23 PolarHBondContact O-N 3.33Å; L23-T27 WeakPolarHBondContact O-CB 3.39Å; L23-T27 VanDerWaalsContact O-CG2 3.32Å; L23-T27 WeakPolarHBondContact O-CG2 3.33Å; L23-T27 PolarHBondContact O-N 2.89Å; L23-T27 PolarHBondContact O-OG1 3.27Å
24	G	71.4	Confident	61	Low	40 Å²	40	104.3 Å²	104.3	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-64.3	-39.9	172.4	0	0	0	0	0	112.7	C20 F21 T27 G28	C20-G24 PolarHBondContact O-N 3.35Å; F21-G24 PolarHBondContact O-N 2.98Å; G24-T27 WeakPolarHBondContact CA-OG1 3.48Å; G24-T27 PolarHBondContact O-OG1 3.24Å; G24-T27 VanDerWaalsContact O-OG1 3.12Å; G24-G28 PolarHBondContact O-N 3.48Å
25	L	71.8	Confident	60.6	Low	96 Å²	96	106.8 Å²	106.8	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-67.6	-43.7	174.7	-102.9	157.5	0	0	0	112.3	F21 L22 W29	F21-L25 HydrophobicContact CD1-CD1 3.92Å; F21-L25 HydrophobicContact CE1-CD1 3.58Å; F21-L25 HydrophobicContact CZ-CD1 4.35Å; F21-L25 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 2.95Å; L25-W29 VanDerWaalsContact O-CB 3.28Å; L25-W29 WeakPolarHBondContact O-CB 3.37Å; L25-W29 PolarHBondContact O-N 2.9Å
26	L	71	Confident	59.9	Low	88 Å²	88	111.4 Å²	111.4	46%	0.461	61%	0.606	S	S	.	*	H	α-helix	trans	-68.8	-43.1	178	-77.1	162.7	0	0	0	111.6	L22 W29 F30	L22-L26 WeakPolarHBondContact O-CB 3.37Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 2.95Å; L26-W29 PolarHBondContact O-N 3.41Å; L26-F30 HydrophobicContact CD2-CD2 4.44Å; L26-F30 HydrophobicContact CD2-CE2 3.93Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 3.13Å
27	T	67.2	Low	59	Low	77 Å²	77	113.2 Å²	113.2	47%	0.472	62%	0.616	S	S	.	*	H	α-helix	trans	-62.3	-45.6	174.2	48.2	0	0	0	0	110.7	L23 G24 W29 F30 T31	L23-T27 WeakPolarHBondContact O-CB 3.39Å; L23-T27 VanDerWaalsContact O-CG2 3.32Å; L23-T27 WeakPolarHBondContact O-CG2 3.33Å; L23-T27 PolarHBondContact O-N 2.89Å; L23-T27 PolarHBondContact O-OG1 3.27Å; G24-T27 WeakPolarHBondContact CA-OG1 3.48Å; G24-T27 PolarHBondContact O-OG1 3.24Å; G24-T27 VanDerWaalsContact O-OG1 3.12Å; T27-W29 VanDerWaalsContact C-N 3.31Å; T27-W29 PolarHBondContact O-N 2.87Å; T27-F30 PolarHBondContact O-N 3.32Å; T27-T31 WeakPolarHBondContact O-CB 3.42Å; T27-T31 VanDerWaalsContact O-CG2 3.28Å; T27-T31 WeakPolarHBondContact O-CG2 3.42Å; T27-T31 PolarHBondContact O-N 3.38Å; T27-T31 PolarHBondContact O-OG1 3.49Å
28	G	60.2	Low	58	Low	46 Å²	46	111.5 Å²	111.5	47%	0.474	61%	0.611	S	S	.	*	H	α-helix	trans	-63.6	-28.8	174.4	0	0	0	0	0	115.1	G24	G24-G28 PolarHBondContact O-N 3.48Å
29	W	65.5	Low	57.1	Low	187 Å²	187	109.3 Å²	109.3	71%	0.708	60%	0.602	S	S	*	*	H	α-helix	trans	-76.5	-36.8	175.7	-163.1	-7.1	0	0	0	111.8	L25 L26 T27	L25-W29 VanDerWaalsContact O-CB 3.28Å; L25-W29 WeakPolarHBondContact O-CB 3.37Å; L25-W29 PolarHBondContact O-N 2.9Å; L26-W29 PolarHBondContact O-N 3.41Å; T27-W29 VanDerWaalsContact C-N 3.31Å; T27-W29 PolarHBondContact O-N 2.87Å
30	F	58.7	Low	56.4	Low	165 Å²	165	111.6 Å²	111.6	72%	0.724	61%	0.613	S	S	*	*	H	α-helix	trans	-92	-12.3	-179.8	-72.7	-71.3	0	0	0	114.6	L26 T27	L26-F30 HydrophobicContact CD2-CD2 4.44Å; L26-F30 HydrophobicContact CD2-CE2 3.93Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 3.13Å; T27-F30 PolarHBondContact O-N 3.32Å
31	T	47.2	Very low	55.6	Low	101 Å²	101	110 Å²	110	62%	0.62	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	22.9	172.1	59.1	0	0	0	0	113.5	T27 P33	T27-T31 WeakPolarHBondContact O-CB 3.42Å; T27-T31 VanDerWaalsContact O-CG2 3.28Å; T27-T31 WeakPolarHBondContact O-CG2 3.42Å; T27-T31 PolarHBondContact O-N 3.38Å; T27-T31 PolarHBondContact O-OG1 3.49Å; T31-P33 WeakPolarHBondContact O-CD 3.43Å; T31-P33 VanDerWaalsContact O-N 3.07Å
32	K	39.3	Very low	54.6	Low	164 Å²	164	106.9 Å²	106.9	71%	0.713	60%	0.597	S	S	*	*			trans	-54.3	118.5	161.5	-91.9	-170.8	175.2	-176.3	0	107.7	T34	K32-T34 PolarHBondContact O-N 3.48Å; K32-T34 VanDerWaalsContact O-N 3.09Å
33	P	39.4	Very low	54	Low	99 Å²	99	105.9 Å²	105.9	64%	0.643	59%	0.594	S	S	*	*			trans	-56.5	124.1	167.9	-15.7	28.7	0	0	0	106.2	T31 E35	T31-P33 WeakPolarHBondContact O-CD 3.43Å; T31-P33 VanDerWaalsContact O-N 3.07Å; P33-E35 HydrophobicContact CB-CG 4.12Å; P33-E35 PolarHBondContact O-N 3.4Å
34	T	42	Very low	53.3	Low	149 Å²	149	102.4 Å²	102.4	91%	0.914	57%	0.574	S	S	*	*			trans	-68.5	60.5	154.3	16.2	0	0	0	0	107.6	K32 K36	K32-T34 PolarHBondContact O-N 3.48Å; K32-T34 VanDerWaalsContact O-N 3.09Å; T34-K36 PolarHBondContact O-N 3.08Å
35	E	43.9	Very low	52.9	Low	163 Å²	163	105.2 Å²	105.2	76%	0.762	58%	0.576	S	S	*	*			trans	-64.1	114.2	153.7	-83.9	-174.9	167.7	0	0	104.7	P33 A37	P33-E35 HydrophobicContact CB-CG 4.12Å; P33-E35 PolarHBondContact O-N 3.4Å; E35-A37 PolarHBondContact O-N 3.29Å
36	K	38.5	Very low	53.4	Low	189 Å²	189	104.3 Å²	104.3	82%	0.822	57%	0.572	S	S	*	*			trans	-45.2	116.5	157.3	-90.5	179.6	171.3	179.8	0	105.6	T34 T38	T34-K36 PolarHBondContact O-N 3.08Å; K36-T38 VanDerWaalsContact C-N 3.27Å; K36-T38 PolarHBondContact O-N 3.32Å; K36-T38 PolarHBondContact O-OG1 3.2Å
37	A	35.9	Very low	54.3	Low	89 Å²	89	101 Å²	101	74%	0.736	56%	0.555	S	S	*	*			trans	-54.7	101.6	171.6	0	0	0	0	0	106.3	E35 T39	E35-A37 PolarHBondContact O-N 3.29Å; A37-T39 PolarHBondContact O-N 2.91Å
38	T	37.7	Very low	55.4	Low	98 Å²	98	99.1 Å²	99.1	60%	0.601	54%	0.539	S	S	*	.			trans	-66.9	111.7	176.1	-54.3	0	0	0	0	103.7	K36 D42 V43	K36-T38 VanDerWaalsContact C-N 3.27Å; K36-T38 PolarHBondContact O-N 3.32Å; K36-T38 PolarHBondContact O-OG1 3.2Å; T38-D42 HydrophobicContact CG2-CB 3.76Å; T38-V43 HydrophobicContact CG2-CG2 3.67Å
39	T	45.1	Very low	56.9	Low	70 Å²	70	102.4 Å²	102.4	43%	0.429	54%	0.542	S	S	.	.			trans	-65.7	153.7	-174.3	66.5	0	0	0	0	108.6	A37 A41 D42 V43	A37-T39 PolarHBondContact O-N 2.91Å; T39-A41 PolarHBondContact O-N 3.05Å; T39-A41 VanDerWaalsContact O-N 3.09Å; T39-D42 PolarHBondContact N-OD2 3.11Å; T39-D42 VanDerWaalsContact N-OD2 3.14Å; T39-D42 WeakPolarHBondContact O-CB 3.27Å; T39-D42 PolarHBondContact O-N 2.87Å; T39-D42 PolarHBondContact OG1-N 3.21Å; T39-D42 PolarHBondContact OG1-OD2 2.87Å; T39-V43 PolarHBondContact O-N 3Å
40	S	54.9	Low	58.4	Low	79 Å²	79	98 Å²	98	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-56.1	-28.1	176.5	61.3	0	0	0	0	112.2	Y44	S40-Y44 VanDerWaalsContact O-CB 3.29Å; S40-Y44 WeakPolarHBondContact O-CB 3.44Å; S40-Y44 PolarHBondContact O-N 3.39Å
41	A	53.7	Low	60.2	Low	58 Å²	58	90.1 Å²	90.1	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-66.6	-42.1	173.3	0	0	0	0	0	112.7	T39 Y44 Q45	T39-A41 PolarHBondContact O-N 3.05Å; T39-A41 VanDerWaalsContact O-N 3.09Å; A41-Y44 PolarHBondContact O-N 3.1Å; A41-Q45 WeakPolarHBondContact O-CB 3.25Å; A41-Q45 PolarHBondContact O-N 2.93Å
42	D	52.3	Low	62.4	Low	78 Å²	78	86.1 Å²	86.1	42%	0.417	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-39.8	177.6	-62.6	-45	0	0	0	111.6	T38 T39 N46	T38-D42 HydrophobicContact CG2-CB 3.76Å; T39-D42 PolarHBondContact N-OD2 3.11Å; T39-D42 VanDerWaalsContact N-OD2 3.14Å; T39-D42 WeakPolarHBondContact O-CB 3.27Å; T39-D42 PolarHBondContact O-N 2.87Å; T39-D42 PolarHBondContact OG1-N 3.21Å; T39-D42 PolarHBondContact OG1-OD2 2.87Å; D42-N46 WeakPolarHBondContact O-CB 3.45Å; D42-N46 PolarHBondContact O-N 3.14Å; D42-N46 VanDerWaalsContact O-N 3.12Å
43	V	62	Low	65.1	Low	73 Å²	73	81.2 Å²	81.2	44%	0.442	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-45	175.2	-178.5	0	0	0	0	110.8	T38 T39 N46 V47	T38-V43 HydrophobicContact CG2-CG2 3.67Å; T39-V43 PolarHBondContact O-N 3Å; V43-N46 PolarHBondContact O-N 3.07Å; V43-V47 WeakPolarHBondContact O-CG2 3.35Å; V43-V47 PolarHBondContact O-N 3.08Å
44	Y	61.2	Low	67.9	Low	41 Å²	41	78.8 Å²	78.8	16%	0.161	44%	0.438	C	S	.	.	H	α-helix	trans	-59.7	-48.7	178.2	-176.2	-96	0	0	0	112.4	S40 A41 N46 V47 R48 Y575 E576 D579 S580	S40-Y44 VanDerWaalsContact O-CB 3.29Å; S40-Y44 WeakPolarHBondContact O-CB 3.44Å; S40-Y44 PolarHBondContact O-N 3.39Å; A41-Y44 PolarHBondContact O-N 3.1Å; Y44-N46 VanDerWaalsContact C-N 3.29Å; Y44-N46 PolarHBondContact O-N 2.99Å; Y44-V47 PolarHBondContact O-N 2.77Å; Y44-R48 PolarHBondContact O-N 3.2Å; Y44-R48 VanDerWaalsContact O-N 3.13Å; Y44-Y575 HydrophobicContact CD1-CE1 4.45Å; Y44-Y575 HydrophobicContact CD2-CE1 4.11Å; Y44-Y575 VanDerWaalsContact CD2-OH 3.3Å; Y44-Y575 WeakPolarHBondContact CD2-OH 3.09Å; Y44-Y575 AromaticContact CE1-CE1 3.9Å; Y44-Y575 HydrophobicContact CE1-CE1 3.9Å; Y44-Y575 HydrophobicContact CE2-CD1 4.49Å; Y44-Y575 AromaticContact CE2-CE1 3.52Å; Y44-Y575 HydrophobicContact CE2-CE1 3.52Å; Y44-Y575 AromaticContact CE2-CZ 3.79Å; Y44-Y575 AromaticContact CZ-CE1 3.4Å; Y44-Y575 VanDerWaalsContact CZ-CE1 3.4Å; Y44-Y575 PolarHBondContact O-OH 2.91Å; Y44-E576 PolarHBondContact OH-OE1 2.9Å; Y44-E576 PolarHBondContact OH-OE2 3.24Å; Y44-D579 VanDerWaalsContact CD2-OD2 3.26Å; Y44-D579 WeakPolarHBondContact CD2-OD2 3.5Å; Y44-D579 HydrophobicContact CE2-CB 3.82Å; Y44-D579 WeakPolarHBondContact CE2-O 3.34Å; Y44-D579 WeakPolarHBondContact CE2-OD2 3.47Å; Y44-S580 PolarHBondContact OH-OG 3.47Å
45	Q	63.8	Low	70.6	Confident	99 Å²	99	71.9 Å²	71.9	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-36.3	-179.6	-169.5	172.6	-1	0	0	111.5	A41 Q49	A41-Q45 WeakPolarHBondContact O-CB 3.25Å; A41-Q45 PolarHBondContact O-N 2.93Å; Q45-Q49 WeakPolarHBondContact O-CB 3.36Å; Q45-Q49 VanDerWaalsContact O-CG 3.29Å; Q45-Q49 WeakPolarHBondContact O-CG 3.45Å; Q45-Q49 PolarHBondContact O-N 2.9Å
46	N	81.4	Confident	73.2	Confident	78 Å²	78	68.9 Å²	68.9	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-45.8	178.1	-168.8	-5.2	0	0	0	112.2	D42 V43 Y44 Q49 K50	D42-N46 WeakPolarHBondContact O-CB 3.45Å; D42-N46 PolarHBondContact O-N 3.14Å; D42-N46 VanDerWaalsContact O-N 3.12Å; V43-N46 PolarHBondContact O-N 3.07Å; Y44-N46 VanDerWaalsContact C-N 3.29Å; Y44-N46 PolarHBondContact O-N 2.99Å; N46-Q49 PolarHBondContact O-N 3.43Å; N46-K50 WeakPolarHBondContact O-CB 3.37Å; N46-K50 VanDerWaalsContact O-CG 3.29Å; N46-K50 WeakPolarHBondContact O-CG 3.37Å; N46-K50 PolarHBondContact O-N 2.83Å; N46-K50 WeakPolarHBondContact OD1-CE 3.47Å
47	V	90.6	Very high	76.1	Confident	17 Å²	17	60.8 Å²	60.8	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-44.5	178.2	175.6	0	0	0	0	111.4	V43 Y44 Q49 K50 L51 M395 W400 Y575	V43-V47 WeakPolarHBondContact O-CG2 3.35Å; V43-V47 PolarHBondContact O-N 3.08Å; Y44-V47 PolarHBondContact O-N 2.77Å; V47-Q49 VanDerWaalsContact C-N 3.32Å; V47-Q49 PolarHBondContact O-N 2.85Å; V47-K50 PolarHBondContact O-N 3.49Å; V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.46Å; V47-M395 HydrophobicContact CG1-CG 4.34Å; V47-M395 HydrophobicContact CG1-SD 4.22Å; V47-W400 HydrophobicContact CG1-CB 4.28Å; V47-W400 HydrophobicContact CG1-CD2 3.99Å; V47-W400 HydrophobicContact CG1-CG 3.72Å; V47-W400 HydrophobicContact CG2-CB 4.34Å; V47-W400 HydrophobicContact CG2-CG 4.24Å; V47-Y575 HydrophobicContact CB-CE2 4.47Å; V47-Y575 HydrophobicContact CG1-CE2 3.86Å
48	R	91.1	Very high	79.1	Confident	38 Å²	38	61.2 Å²	61.2	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-45.3	178.4	-169.1	172.4	69.5	164	9.5	112	Y44 L51 M52 E470 Y575 E576	Y44-R48 PolarHBondContact O-N 3.2Å; Y44-R48 VanDerWaalsContact O-N 3.13Å; R48-L51 PolarHBondContact O-N 3.26Å; R48-M52 VanDerWaalsContact O-CG 3.31Å; R48-M52 WeakPolarHBondContact O-CG 3.39Å; R48-M52 PolarHBondContact O-N 2.96Å; R48-M52 VanDerWaalsContact O-N 3.16Å; R48-E470 IonicContact CZ-OE1 3.57Å; R48-E470 IonicContact CZ-OE2 3.45Å; R48-E470 VanDerWaalsContact CZ-OE2 3.29Å; R48-E470 IonicContact NE-OE2 3.56Å; R48-E470 IonicContact NH1-OE1 3.8Å; R48-E470 PolarHBondContact NH1-OE1 3.04Å; R48-E470 IonicContact NH1-OE2 2.92Å; R48-E470 VanDerWaalsContact NH2-CD 3.28Å; R48-E470 IonicContact NH2-OE1 3.7Å; R48-E470 PolarHBondContact NH2-OE1 3.34Å; R48-E470 IonicContact NH2-OE2 3.42Å; R48-E470 PolarHBondContact NH2-OE2 3.34Å; R48-Y575 HydrophobicContact CB-CD1 4.06Å; R48-Y575 HydrophobicContact CB-CE1 3.52Å; R48-Y575 HydrophobicContact CG-CD1 3.75Å; R48-Y575 HydrophobicContact CG-CE1 3.71Å; R48-E576 WeakPolarHBondContact CD-OE1 3.32Å; R48-E576 IonicContact CZ-OE1 3.54Å; R48-E576 IonicContact NE-OE1 2.82Å; R48-E576 IonicContact NH1-OE1 3.83Å; R48-E576 PolarHBondContact NH1-OE1 2.69Å
49	Q	91.6	Very high	82	Confident	115 Å²	115	58.5 Å²	58.5	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-43.8	177.7	-74.4	176	-7.6	0	0	111.7	Q45 N46 V47 M52 A53	Q45-Q49 WeakPolarHBondContact O-CB 3.36Å; Q45-Q49 VanDerWaalsContact O-CG 3.29Å; Q45-Q49 WeakPolarHBondContact O-CG 3.45Å; Q45-Q49 PolarHBondContact O-N 2.9Å; N46-Q49 PolarHBondContact O-N 3.43Å; V47-Q49 VanDerWaalsContact C-N 3.32Å; V47-Q49 PolarHBondContact O-N 2.85Å; Q49-M52 PolarHBondContact O-N 3.18Å; Q49-A53 WeakPolarHBondContact O-CB 3.38Å; Q49-A53 PolarHBondContact O-N 2.88Å
50	K	95.8	Very high	84.6	Confident	94 Å²	94	55.1 Å²	55.1	41%	0.409	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-46.6	174.9	-75.1	175.6	171.7	-170.5	0	112.3	N46 V47 M52 A53 E54 M395	N46-K50 WeakPolarHBondContact O-CB 3.37Å; N46-K50 VanDerWaalsContact O-CG 3.29Å; N46-K50 WeakPolarHBondContact O-CG 3.37Å; N46-K50 PolarHBondContact O-N 2.83Å; N46-K50 WeakPolarHBondContact OD1-CE 3.47Å; V47-K50 PolarHBondContact O-N 3.49Å; K50-M52 VanDerWaalsContact C-N 3.29Å; K50-M52 PolarHBondContact O-N 3.04Å; K50-A53 PolarHBondContact O-N 3.42Å; K50-E54 VanDerWaalsContact O-CB 3.29Å; K50-E54 WeakPolarHBondContact O-CB 3.35Å; K50-E54 PolarHBondContact O-N 3.19Å; K50-M395 HydrophobicContact CB-CE 4.16Å; K50-M395 HydrophobicContact CB-SD 3.75Å
51	L	96.4	Very high	86.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.1	-44.5	177.6	-179.8	71.5	0	0	0	111.3	V47 R48 E54 M55 F392 M395 Y575	V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.46Å; R48-L51 PolarHBondContact O-N 3.26Å; L51-E54 PolarHBondContact O-N 3.44Å; L51-M55 HydrophobicContact CD1-CE 4.41Å; L51-M55 HydrophobicContact CG-CE 4.21Å; L51-F392 HydrophobicContact CD1-CD1 3.98Å; L51-F392 HydrophobicContact CD1-CD2 4.23Å; L51-F392 HydrophobicContact CD1-CE1 4.25Å; L51-F392 HydrophobicContact CD1-CE2 4.47Å; L51-F392 HydrophobicContact CD1-CG 3.98Å; L51-F392 HydrophobicContact CD1-CZ 4.49Å; L51-F392 HydrophobicContact CD2-CD1 4.24Å; L51-F392 HydrophobicContact CD2-CE1 3.66Å; L51-F392 HydrophobicContact CD2-CE2 4.15Å; L51-F392 HydrophobicContact CD2-CZ 3.61Å; L51-M395 HydrophobicContact CB-CG 4.11Å; L51-M395 HydrophobicContact CB-SD 4.29Å; L51-M395 HydrophobicContact CD1-CG 3.77Å; L51-Y575 HydrophobicContact CD2-CD2 3.97Å; L51-Y575 HydrophobicContact CD2-CG 4.22Å
52	M	94.6	Very high	88.8	Confident	17 Å²	17	56.1 Å²	56.1	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-71.2	-39.2	179.6	-66.7	-59.7	103.3	0	0	113.2	R48 Q49 K50 E54 M55 Q568 K572	R48-M52 VanDerWaalsContact O-CG 3.31Å; R48-M52 WeakPolarHBondContact O-CG 3.39Å; R48-M52 PolarHBondContact O-N 2.96Å; R48-M52 VanDerWaalsContact O-N 3.16Å; Q49-M52 PolarHBondContact O-N 3.18Å; K50-M52 VanDerWaalsContact C-N 3.29Å; K50-M52 PolarHBondContact O-N 3.04Å; M52-E54 VanDerWaalsContact C-N 3.25Å; M52-E54 PolarHBondContact O-N 3.04Å; M52-M55 HydrophobicContact CE-CE 3.64Å; M52-M55 HydrophobicContact CE-SD 4.15Å; M52-Q568 PolarHBondContact O-NE2 3.29Å; M52-Q568 HydrophobicContact SD-CB 3.65Å; M52-Q568 HydrophobicContact SD-CG 3.88Å; M52-Q568 VanDerWaalsContact SD-O 3.39Å; M52-K572 HydrophobicContact CE-CG 3.9Å; M52-K572 HydrophobicContact CG-CD 4.45Å; M52-K572 HydrophobicContact CG-CG 4.01Å; M52-K572 HydrophobicContact SD-CD 4.19Å; M52-K572 HydrophobicContact SD-CG 3.36Å; M52-K572 WeakPolarHBondContact SD-CG 3.48Å
53	A	96.3	Very high	91.1	Very high	62 Å²	62	53.6 Å²	53.6	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-68.8	-27.7	176.8	0	0	0	0	0	111.7	Q49 K50 K56	Q49-A53 WeakPolarHBondContact O-CB 3.38Å; Q49-A53 PolarHBondContact O-N 2.88Å; K50-A53 PolarHBondContact O-N 3.42Å; A53-K56 WeakPolarHBondContact O-CE 3.41Å; A53-K56 PolarHBondContact O-NZ 3.1Å
54	E	98.3	Very high	92.8	Very high	47 Å²	47	50.1 Å²	50.1	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-32.4	179.8	-177.2	53	-146.6	0	0	112.6	K50 L51 M52 R390 K394 M395	K50-E54 VanDerWaalsContact O-CB 3.29Å; K50-E54 WeakPolarHBondContact O-CB 3.35Å; K50-E54 PolarHBondContact O-N 3.19Å; L51-E54 PolarHBondContact O-N 3.44Å; M52-E54 VanDerWaalsContact C-N 3.25Å; M52-E54 PolarHBondContact O-N 3.04Å; E54-R390 PolarHBondContact O-NH2 3.44Å; E54-R390 IonicContact OE1-CZ 2.69Å; E54-R390 IonicContact OE1-NH1 3.62Å; E54-R390 PolarHBondContact OE1-NH1 2.92Å; E54-R390 IonicContact OE1-NH2 2.9Å; E54-R390 PolarHBondContact OE1-NH2 3.41Å; E54-K394 HydrophobicContact CG-CB 4.33Å; E54-K394 HydrophobicContact CG-CG 4.26Å; E54-M395 HydrophobicContact CB-CE 4.44Å
55	M	98.6	Very high	94.6	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.02	26%	0.257	C	S	.	.			trans	-67.9	131.1	179.9	-63.3	178.2	-172.9	0	0	111.7	L51 M52 E387 I388 S391 L564 A567 Q568	L51-M55 HydrophobicContact CD1-CE 4.41Å; L51-M55 HydrophobicContact CG-CE 4.21Å; M52-M55 HydrophobicContact CE-CE 3.64Å; M52-M55 HydrophobicContact CE-SD 4.15Å; M55-E387 VanDerWaalsContact CA-OE1 3.3Å; M55-E387 WeakPolarHBondContact CA-OE1 3.3Å; M55-E387 HydrophobicContact CB-CG 4.17Å; M55-E387 HydrophobicContact CG-CG 4.29Å; M55-I388 HydrophobicContact CE-CB 4.4Å; M55-I388 HydrophobicContact CE-CG1 3.95Å; M55-I388 HydrophobicContact CE-CG2 4.45Å; M55-I388 HydrophobicContact SD-CG1 4.39Å; M55-S391 VanDerWaalsContact CG-OG 3.31Å; M55-S391 WeakPolarHBondContact CG-OG 3.39Å; M55-L564 HydrophobicContact CB-CD1 3.71Å; M55-L564 WeakPolarHBondContact O-CD1 3.46Å; M55-A567 HydrophobicContact SD-CB 4.04Å; M55-Q568 HydrophobicContact SD-CG 4.12Å
56	K	98.7	Very high	96.3	Very high	100 Å²	100	50.2 Å²	50.2	44%	0.435	25%	0.248	S	C	.	.			trans	-124.5	135.4	-178.7	-51.5	-60	175.4	-165.6	0	112.6	A53 E58 N59 I60 E387	A53-K56 WeakPolarHBondContact O-CE 3.41Å; A53-K56 PolarHBondContact O-NZ 3.1Å; K56-E58 VanDerWaalsContact C-N 3.28Å; K56-E58 PolarHBondContact O-N 3.48Å; K56-N59 HydrophobicContact CB-CB 4.32Å; K56-N59 PolarHBondContact O-N 3.19Å; K56-I60 PolarHBondContact O-N 2.99Å; K56-E387 PolarHBondContact N-OE1 2.99Å
57	A	98.8	Very high	97.1	Very high	19 Å²	19	46.8 Å²	46.8	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-40.5	173.9	0	0	0	0	0	112.2	N59 I60 K61 F560 L564	A57-N59 VanDerWaalsContact C-N 3.34Å; A57-N59 PolarHBondContact O-N 3.37Å; A57-I60 PolarHBondContact O-N 3.31Å; A57-K61 PolarHBondContact O-N 2.96Å; A57-F560 HydrophobicContact CB-CB 3.83Å; A57-L564 HydrophobicContact CB-CB 4.16Å; A57-L564 HydrophobicContact CB-CD2 4.14Å
58	E	98.8	Very high	97.4	Very high	99 Å²	99	46 Å²	46	46%	0.463	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-36.3	179.8	-173.5	54.8	-146.7	0	0	112.6	K56 K61 Q62	K56-E58 VanDerWaalsContact C-N 3.28Å; K56-E58 PolarHBondContact O-N 3.48Å; E58-K61 WeakPolarHBondContact O-CB 3.38Å; E58-K61 PolarHBondContact O-N 2.71Å; E58-Q62 VanDerWaalsContact O-CG 3.3Å; E58-Q62 WeakPolarHBondContact O-CG 3.1Å; E58-Q62 PolarHBondContact O-N 3.29Å; E58-Q62 PolarHBondContact OE1-NE2 3.07Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.17Å
59	N	98.9	Very high	97.7	Very high	40 Å²	40	49.3 Å²	49.3	21%	0.214	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-44.4	174.8	-66.2	-14.2	0	0	0	111	K56 A57 K61 Q62 F63 E387 R390	K56-N59 HydrophobicContact CB-CB 4.32Å; K56-N59 PolarHBondContact O-N 3.19Å; A57-N59 VanDerWaalsContact C-N 3.34Å; A57-N59 PolarHBondContact O-N 3.37Å; N59-K61 VanDerWaalsContact C-N 3.29Å; N59-K61 PolarHBondContact O-N 3.36Å; N59-Q62 PolarHBondContact O-N 2.8Å; N59-Q62 VanDerWaalsContact O-N 3.16Å; N59-F63 HydrophobicContact CB-CD2 4.48Å; N59-F63 HydrophobicContact CB-CE2 4.17Å; N59-F63 WeakPolarHBondContact O-CD2 3.14Å; N59-F63 WeakPolarHBondContact O-CG 3.49Å; N59-F63 PolarHBondContact O-N 3.46Å; N59-E387 WeakPolarHBondContact CB-OE2 3.42Å; N59-E387 PolarHBondContact ND2-OE1 3.1Å; N59-E387 PolarHBondContact ND2-OE2 2.99Å; N59-R390 PolarHBondContact ND2-NE 3.22Å; N59-R390 PolarHBondContact ND2-NH2 2.87Å
60	I	98.9	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-44.4	176.6	-61.6	167.3	0	0	0	110	K56 A57 Q62 F63 L64 A383 V384 E387 F560 Q563 L564 A567	K56-I60 PolarHBondContact O-N 2.99Å; A57-I60 PolarHBondContact O-N 3.31Å; I60-Q62 PolarHBondContact O-N 2.91Å; I60-F63 PolarHBondContact O-N 3.5Å; I60-L64 WeakPolarHBondContact O-CB 3.19Å; I60-L64 PolarHBondContact O-N 2.7Å; I60-A383 HydrophobicContact CG2-CB 4.09Å; I60-V384 HydrophobicContact CD1-CG2 4.46Å; I60-V384 HydrophobicContact CG2-CG2 4.16Å; I60-E387 HydrophobicContact CD1-CB 4.5Å; I60-E387 HydrophobicContact CD1-CG 4.39Å; I60-E387 HydrophobicContact CG1-CB 3.75Å; I60-E387 HydrophobicContact CG1-CG 3.91Å; I60-F560 HydrophobicContact CG2-CD1 4.2Å; I60-Q563 HydrophobicContact CG2-CB 4.23Å; I60-L564 HydrophobicContact CD1-CB 4.23Å; I60-L564 HydrophobicContact CD1-CD1 4.27Å; I60-A567 HydrophobicContact CD1-CB 3.88Å
61	K	98.9	Very high	98.1	Very high	48 Å²	48	45.2 Å²	45.2	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-46.5	174.8	179.7	176.7	-178.9	171	0	112.3	A57 E58 N59 L64 R65 F549 E553 F560	A57-K61 PolarHBondContact O-N 2.96Å; E58-K61 WeakPolarHBondContact O-CB 3.38Å; E58-K61 PolarHBondContact O-N 2.71Å; N59-K61 VanDerWaalsContact C-N 3.29Å; N59-K61 PolarHBondContact O-N 3.36Å; K61-L64 PolarHBondContact O-N 3.06Å; K61-R65 WeakPolarHBondContact O-CB 3.28Å; K61-R65 PolarHBondContact O-N 2.94Å; K61-F549 HydrophobicContact CG-CE2 4.19Å; K61-F549 HydrophobicContact CG-CZ 4.06Å; K61-E553 WeakPolarHBondContact CE-OE1 3.48Å; K61-E553 IonicContact NZ-OE1 3.4Å; K61-E553 PolarHBondContact NZ-OE1 3.45Å; K61-F560 HydrophobicContact CB-CD1 3.8Å; K61-F560 HydrophobicContact CB-CD2 3.89Å; K61-F560 HydrophobicContact CB-CE1 3.83Å; K61-F560 HydrophobicContact CB-CE2 3.93Å; K61-F560 HydrophobicContact CB-CG 3.83Å; K61-F560 HydrophobicContact CB-CZ 3.9Å; K61-F560 HydrophobicContact CD-CD2 3.91Å; K61-F560 HydrophobicContact CD-CE2 3.78Å; K61-F560 HydrophobicContact CD-CZ 4.4Å; K61-F560 HydrophobicContact CG-CD2 3.97Å; K61-F560 HydrophobicContact CG-CE1 4.18Å; K61-F560 HydrophobicContact CG-CE2 3.61Å; K61-F560 HydrophobicContact CG-CG 4.42Å; K61-F560 HydrophobicContact CG-CZ 3.73Å
62	Q	98.8	Very high	98.2	Very high	110 Å²	110	45.2 Å²	45.2	51%	0.514	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-41.6	178.9	-72	174.3	14.7	0	0	112.3	E58 N59 I60 R65 S66	E58-Q62 VanDerWaalsContact O-CG 3.3Å; E58-Q62 WeakPolarHBondContact O-CG 3.1Å; E58-Q62 PolarHBondContact O-N 3.29Å; E58-Q62 PolarHBondContact OE1-NE2 3.07Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.17Å; N59-Q62 PolarHBondContact O-N 2.8Å; N59-Q62 VanDerWaalsContact O-N 3.16Å; I60-Q62 PolarHBondContact O-N 2.91Å; Q62-R65 PolarHBondContact O-N 2.9Å; Q62-S66 WeakPolarHBondContact O-CB 3.38Å; Q62-S66 PolarHBondContact O-N 2.69Å
63	F	98.9	Very high	98.4	Very high	25 Å²	25	44.7 Å²	44.7	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-49.6	173.7	-71	-52.5	0	0	0	111	N59 I60 R65 S66 F67 F93 A383 Q386 E387	N59-F63 HydrophobicContact CB-CD2 4.48Å; N59-F63 HydrophobicContact CB-CE2 4.17Å; N59-F63 WeakPolarHBondContact O-CD2 3.14Å; N59-F63 WeakPolarHBondContact O-CG 3.49Å; N59-F63 PolarHBondContact O-N 3.46Å; I60-F63 PolarHBondContact O-N 3.5Å; F63-R65 PolarHBondContact O-N 3.12Å; F63-S66 PolarHBondContact O-N 2.84Å; F63-S66 VanDerWaalsContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 2.9Å; F63-F67 HydrophobicContact CB-CE2 4.37Å; F63-F67 HydrophobicContact CD1-CZ 4.42Å; F63-F67 VanDerWaalsContact O-CG 3.23Å; F63-F67 WeakPolarHBondContact O-CG 3.32Å; F63-F67 PolarHBondContact O-N 3.28Å; F63-F93 HydrophobicContact CE1-CZ 4.21Å; F63-F93 AromaticContact CZ-CZ 3.85Å; F63-F93 HydrophobicContact CZ-CZ 3.85Å; F63-A383 HydrophobicContact CB-CB 3.81Å; F63-Q386 HydrophobicContact CD1-CB 4.02Å; F63-Q386 HydrophobicContact CD1-CG 4.29Å; F63-Q386 HydrophobicContact CD2-CB 3.77Å; F63-Q386 HydrophobicContact CE1-CB 4.11Å; F63-Q386 HydrophobicContact CE2-CB 3.86Å; F63-Q386 HydrophobicContact CG-CB 3.87Å; F63-Q386 HydrophobicContact CG-CG 4.39Å; F63-Q386 HydrophobicContact CZ-CB 4.04Å; F63-E387 HydrophobicContact CD2-CB 4.46Å; F63-E387 HydrophobicContact CE2-CB 4.3Å
64	L	98.9	Very high	98.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.1	-51.3	177.8	-174.8	62.1	0	0	0	110.7	I60 K61 S66 F67 T68 T379 T380 A383 F549 V552 F560	I60-L64 WeakPolarHBondContact O-CB 3.19Å; I60-L64 PolarHBondContact O-N 2.7Å; K61-L64 PolarHBondContact O-N 3.06Å; L64-S66 PolarHBondContact O-N 2.99Å; L64-F67 PolarHBondContact O-N 3.39Å; L64-F67 VanDerWaalsContact O-N 3.12Å; L64-T68 HydrophobicContact CD1-CG2 3.76Å; L64-T68 HydrophobicContact CG-CG2 4.28Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 3.42Å; L64-T68 VanDerWaalsContact O-N 3.13Å; L64-T68 PolarHBondContact O-OG1 2.99Å; L64-T68 VanDerWaalsContact O-OG1 3.05Å; L64-T379 VanDerWaalsContact CD1-C 3.45Å; L64-T379 HydrophobicContact CD1-CG2 3.9Å; L64-T379 WeakPolarHBondContact CD1-O 3.48Å; L64-T380 HydrophobicContact CD1-CG2 3.96Å; L64-T380 HydrophobicContact CD2-CG2 4Å; L64-A383 HydrophobicContact CB-CB 3.98Å; L64-F549 HydrophobicContact CB-CD2 4.35Å; L64-F549 HydrophobicContact CB-CE2 4.45Å; L64-F549 HydrophobicContact CD2-CD2 4.09Å; L64-F549 HydrophobicContact CD2-CE2 4.4Å; L64-F549 HydrophobicContact CG-CD2 3.94Å; L64-F549 HydrophobicContact CG-CE2 4.43Å; L64-V552 HydrophobicContact CD2-CB 4.13Å; L64-V552 HydrophobicContact CD2-CG1 3.86Å; L64-F560 HydrophobicContact CB-CE1 4.46Å; L64-F560 HydrophobicContact CD2-CE1 3.72Å; L64-F560 HydrophobicContact CD2-CZ 3.99Å
65	R	98.6	Very high	98.5	Very high	103 Å²	103	40.7 Å²	40.7	39%	0.389	20%	0.197	S	C	.	.	H	α-helix	trans	-58	-36.3	178	-177.2	58	-179.2	-146.1	17.1	112.8	K61 Q62 F63 K69 F549 E550	K61-R65 WeakPolarHBondContact O-CB 3.28Å; K61-R65 PolarHBondContact O-N 2.94Å; Q62-R65 PolarHBondContact O-N 2.9Å; F63-R65 PolarHBondContact O-N 3.12Å; R65-K69 VanDerWaalsContact O-CG 3.24Å; R65-K69 WeakPolarHBondContact O-CG 3.35Å; R65-F549 HydrophobicContact CB-CD2 3.81Å; R65-F549 HydrophobicContact CB-CE2 3.58Å; R65-F549 HydrophobicContact CB-CG 4.44Å; R65-F549 HydrophobicContact CB-CZ 4.01Å; R65-F549 HydrophobicContact CG-CD2 4.5Å; R65-F549 HydrophobicContact CG-CE2 4.38Å; R65-F549 HydrophobicContact CG-CZ 4.43Å; R65-E550 IonicContact CZ-OE1 3.72Å; R65-E550 IonicContact NH1-OE1 3.92Å; R65-E550 PolarHBondContact NH1-OE1 2.82Å; R65-E550 IonicContact NH2-OE1 2.71Å; R65-E550 PolarHBondContact NH2-OE1 3.49Å
66	S	98.5	Very high	98.5	Very high	38 Å²	38	42.6 Å²	42.6	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-71.2	-33.7	-179.2	77.1	0	0	0	0	112.4	Q62 F63 L64	Q62-S66 WeakPolarHBondContact O-CB 3.38Å; Q62-S66 PolarHBondContact O-N 2.69Å; F63-S66 PolarHBondContact O-N 2.84Å; F63-S66 VanDerWaalsContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 2.9Å; L64-S66 PolarHBondContact O-N 2.99Å
67	F	98.7	Very high	98.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-87.9	-25	-172.7	-64.9	-11.5	0	0	0	113.4	F63 L64 H72 L82 I86 T379 A382 Q386	F63-F67 HydrophobicContact CB-CE2 4.37Å; F63-F67 HydrophobicContact CD1-CZ 4.42Å; F63-F67 VanDerWaalsContact O-CG 3.23Å; F63-F67 WeakPolarHBondContact O-CG 3.32Å; F63-F67 PolarHBondContact O-N 3.28Å; L64-F67 PolarHBondContact O-N 3.39Å; L64-F67 VanDerWaalsContact O-N 3.12Å; F67-H72 PolarHBondContact O-CD2 2.99Å; F67-L82 HydrophobicContact CB-CD1 4.33Å; F67-L82 HydrophobicContact CD1-CD1 3.31Å; F67-L82 HydrophobicContact CE1-CD1 3.62Å; F67-L82 HydrophobicContact CG-CD1 3.88Å; F67-L82 HydrophobicContact CZ-CD1 4.4Å; F67-I86 HydrophobicContact CZ-CD1 4.39Å; F67-I86 HydrophobicContact CZ-CG1 4.02Å; F67-T379 HydrophobicContact CB-CG2 3.19Å; F67-T379 HydrophobicContact CD2-CG2 4.01Å; F67-T379 HydrophobicContact CG-CG2 4.13Å; F67-A382 HydrophobicContact CD2-CB 4.37Å; F67-Q386 HydrophobicContact CE2-CG 3.54Å; F67-Q386 HydrophobicContact CZ-CG 3.58Å
68	T	98.4	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-96.9	13.1	-175.2	60.7	0	0	0	0	114.3	L64 T379 F549	L64-T68 HydrophobicContact CD1-CG2 3.76Å; L64-T68 HydrophobicContact CG-CG2 4.28Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 3.42Å; L64-T68 VanDerWaalsContact O-N 3.13Å; L64-T68 PolarHBondContact O-OG1 2.99Å; L64-T68 VanDerWaalsContact O-OG1 3.05Å; T68-T379 HydrophobicContact CG2-CG2 3.64Å; T68-F549 WeakPolarHBondContact OG1-CB 3.23Å
69	K	96.7	Very high	98.5	Very high	108 Å²	108	43.9 Å²	43.9	47%	0.47	21%	0.213	S	C	.	.	S	Bend	trans	-71.8	-31	-177.2	-65.4	-175.1	179	174.7	0	113.3	R65	R65-K69 VanDerWaalsContact O-CG 3.24Å; R65-K69 WeakPolarHBondContact O-CG 3.35Å
70	F	97.8	Very high	98.5	Very high	107 Å²	107	43.7 Å²	43.7	47%	0.469	21%	0.212	S	C	.	.	S	Bend	trans	-135.9	153.7	-173.5	-63	-73.3	0	0	0	109.8	H72 Q78	F70-H72 PolarHBondContact O-CD2 3.33Å; F70-H72 PolarHBondContact O-N 3.14Å; F70-Q78 HydrophobicContact CB-CG 3.87Å
71	P	98.1	Very high	98.4	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.104	24%	0.236	C	C	.	.			trans	-62.6	136.1	174.4	-22.3	34	0	0	0	111.7	Q78 V144 I147 V372 F373	P71-Q78 WeakPolarHBondContact O-CB 3.28Å; P71-Q78 WeakPolarHBondContact O-CG 3.39Å; P71-V144 HydrophobicContact CG-CG1 4Å; P71-I147 HydrophobicContact CG-CG1 3.83Å; P71-V372 CarbonylContact C-O 3.5Å; P71-V372 WeakPolarHBondContact CA-O 3.41Å; P71-V372 HydrophobicContact CB-CG1 4.33Å; P71-V372 HydrophobicContact CG-CG1 4.16Å; P71-F373 HydrophobicContact CG-CD1 4.24Å; P71-F373 HydrophobicContact CG-CE1 3.9Å; P71-F373 HydrophobicContact CG-CZ 4.43Å
72	H	98.6	Very high	98.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.228	C	C	.	.			trans	-130.3	53.6	-175.9	54.9	91	0	0	0	112.1	F67 F70 Q78 N79 L82 R368 D369 S370 V372 F373 T379	F67-H72 PolarHBondContact O-CD2 2.99Å; F70-H72 PolarHBondContact O-CD2 3.33Å; F70-H72 PolarHBondContact O-N 3.14Å; H72-Q78 HydrophobicContact CB-CG 4.48Å; H72-N79 HydrophobicContact CB-CB 4.31Å; H72-L82 HydrophobicContact CB-CD2 4.43Å; H72-R368 PolarHBondContact CE1-O 2.89Å; H72-R368 PolarHBondContact ND1-O 3.08Å; H72-D369 WeakPolarHBondContact O-CA 3.42Å; H72-S370 WeakPolarHBondContact CE1-CB 3.43Å; H72-S370 PolarHBondContact CE1-OG 3.29Å; H72-S370 PolarHBondContact ND1-OG 3.29Å; H72-S370 VanDerWaalsContact ND1-OG 3.15Å; H72-S370 PolarHBondContact NE2-OG 2.92Å; H72-S370 VanDerWaalsContact NE2-OG 3.14Å; H72-S370 PolarHBondContact O-N 3.38Å; H72-V372 PolarHBondContact N-O 2.89Å; H72-V372 VanDerWaalsContact N-O 3.08Å; H72-F373 PolarHBondContact NE2-O 3.2Å; H72-T379 PolarHBondContact CE1-OG1 3.04Å; H72-T379 VanDerWaalsContact CE1-OG1 3.27Å; H72-T379 PolarHBondContact NE2-OG1 2.88Å
73	L	98.7	Very high	98.4	Very high	5 Å²	5	42 Å²	42	3%	0.026	20%	0.203	C	C	.	.			trans	-62.3	144.2	175.6	-171	70.4	0	0	0	112.2	T76 N79 Y109 L148 S370 W371 F416	L73-T76 HydrophobicContact CB-CG2 3.91Å; L73-T76 WeakPolarHBondContact O-CB 3.46Å; L73-T76 VanDerWaalsContact O-CG2 3.31Å; L73-T76 WeakPolarHBondContact O-CG2 3.45Å; L73-T76 PolarHBondContact O-N 2.87Å; L73-T76 PolarHBondContact O-OG1 3.27Å; L73-N79 VanDerWaalsContact O-CB 3.3Å; L73-N79 WeakPolarHBondContact O-CB 3.45Å; L73-Y109 HydrophobicContact CD2-CD1 3.76Å; L73-Y109 HydrophobicContact CD2-CE1 3.5Å; L73-Y109 VanDerWaalsContact CD2-CE1 3.5Å; L73-Y109 HydrophobicContact CG-CE1 4.27Å; L73-L148 HydrophobicContact CD2-CD1 3.12Å; L73-L148 HydrophobicContact CG-CD1 4.46Å; L73-S370 WeakPolarHBondContact CA-O 3.4Å; L73-S370 VanDerWaalsContact CD1-O 3.31Å; L73-S370 WeakPolarHBondContact CD1-O 3.36Å; L73-S370 PolarHBondContact N-O 3.44Å; L73-W371 HydrophobicContact CD1-CE3 3.95Å; L73-W371 HydrophobicContact CD1-CZ3 4.27Å; L73-F416 HydrophobicContact CD1-CE2 3.6Å; L73-F416 HydrophobicContact CD1-CZ 3.91Å; L73-F416 HydrophobicContact CD2-CZ 4.18Å; L73-F416 HydrophobicContact CG-CE2 4.02Å; L73-F416 HydrophobicContact CG-CZ 4.19Å
74	A	98.8	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	140.1	177	0	0	0	0	0	112.5	T76 L107 Y109 D369 D412 A413 F416	A74-T76 PolarHBondContact O-N 3.25Å; A74-L107 HydrophobicContact CB-CD1 4.16Å; A74-Y109 PolarHBondContact O-OH 3.11Å; A74-D369 HydrophobicContact CB-CB 3.76Å; A74-D412 WeakPolarHBondContact CA-OD1 3.1Å; A74-D412 WeakPolarHBondContact CB-OD1 3.48Å; A74-A413 HydrophobicContact CB-CB 3.8Å; A74-F416 HydrophobicContact CB-CD2 3.69Å; A74-F416 HydrophobicContact CB-CE2 3.72Å
75	G	98.3	Very high	98.4	Very high	25 Å²	25	49 Å²	49	26%	0.258	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	1.6	179.7	0	0	0	0	0	116.2
76	T	98.4	Very high	98.5	Very high	45 Å²	45	44.2 Å²	44.2	28%	0.276	22%	0.217	S	C	.	.	S	Bend	trans	-86.5	159.7	175.2	67	0	0	0	0	112.6	L73 A74 Q78 N79 L80	L73-T76 HydrophobicContact CB-CG2 3.91Å; L73-T76 WeakPolarHBondContact O-CB 3.46Å; L73-T76 VanDerWaalsContact O-CG2 3.31Å; L73-T76 WeakPolarHBondContact O-CG2 3.45Å; L73-T76 PolarHBondContact O-N 2.87Å; L73-T76 PolarHBondContact O-OG1 3.27Å; A74-T76 PolarHBondContact O-N 3.25Å; T76-Q78 VanDerWaalsContact C-N 3.28Å; T76-Q78 PolarHBondContact O-N 2.94Å; T76-N79 PolarHBondContact O-N 3.41Å; T76-N79 PolarHBondContact OG1-N 3.39Å; T76-L80 PolarHBondContact O-N 3.41Å; T76-L80 VanDerWaalsContact O-N 3.14Å
77	E	98	Very high	98.5	Very high	176 Å²	176	44.1 Å²	44.1	82%	0.822	21%	0.212	S	C	*	.	H	α-helix	trans	-60.2	-38.1	175.6	-64.6	-172	166.1	0	0	112.5	L80 F81	E77-L80 PolarHBondContact O-N 3.27Å; E77-F81 PolarHBondContact O-N 3.26Å
78	Q	98.1	Very high	98.5	Very high	68 Å²	68	45.1 Å²	45.1	32%	0.318	22%	0.224	S	C	.	.	H	α-helix	trans	-66.1	-39.4	179.4	-174.8	58.7	22.7	0	0	111.9	F70 P71 H72 T76 L80 F81 L82	F70-Q78 HydrophobicContact CB-CG 3.87Å; P71-Q78 WeakPolarHBondContact O-CB 3.28Å; P71-Q78 WeakPolarHBondContact O-CG 3.39Å; H72-Q78 HydrophobicContact CB-CG 4.48Å; T76-Q78 VanDerWaalsContact C-N 3.28Å; T76-Q78 PolarHBondContact O-N 2.94Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-F81 WeakPolarHBondContact O-CB 3.4Å; Q78-F81 PolarHBondContact O-N 2.77Å; Q78-L82 PolarHBondContact O-N 2.85Å
79	N	98.7	Very high	98.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-69.5	-33	175.6	-166.8	35.5	0	0	0	112.3	H72 L73 T76 L82 A83 R368 D412	H72-N79 HydrophobicContact CB-CB 4.31Å; L73-N79 VanDerWaalsContact O-CB 3.3Å; L73-N79 WeakPolarHBondContact O-CB 3.45Å; T76-N79 PolarHBondContact O-N 3.41Å; T76-N79 PolarHBondContact OG1-N 3.39Å; N79-L82 PolarHBondContact O-N 3.39Å; N79-A83 WeakPolarHBondContact O-CB 3.33Å; N79-A83 PolarHBondContact O-N 3.48Å; N79-R368 PolarHBondContact ND2-NH2 2.76Å; N79-R368 PolarHBondContact OD1-NE 2.72Å; N79-D412 PolarHBondContact ND2-OD1 3.22Å; N79-D412 PolarHBondContact ND2-OD2 3.37Å
80	L	98.8	Very high	98.6	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-39.5	170.5	174.4	58.5	0	0	0	112	T76 E77 Q78 L82 A83 K84 L100 Y346	T76-L80 PolarHBondContact O-N 3.41Å; T76-L80 VanDerWaalsContact O-N 3.14Å; E77-L80 PolarHBondContact O-N 3.27Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-A83 WeakPolarHBondContact O-CB 3.32Å; L80-A83 PolarHBondContact O-N 2.95Å; L80-K84 HydrophobicContact CD1-CD 4.42Å; L80-K84 HydrophobicContact CD1-CG 4.32Å; L80-K84 HydrophobicContact CG-CD 4.45Å; L80-K84 WeakPolarHBondContact O-CG 3.2Å; L80-K84 PolarHBondContact O-N 3.35Å; L80-L100 HydrophobicContact CD1-CD1 4.35Å; L80-Y346 HydrophobicContact CD1-CD1 4.09Å; L80-Y346 HydrophobicContact CD1-CD2 3.67Å; L80-Y346 HydrophobicContact CD1-CE1 4.19Å; L80-Y346 HydrophobicContact CD1-CE2 3.76Å; L80-Y346 HydrophobicContact CD1-CG 3.81Å; L80-Y346 HydrophobicContact CD2-CE2 4.05Å; L80-Y346 HydrophobicContact CG-CD2 4.49Å; L80-Y346 HydrophobicContact CG-CE2 4.34Å
81	F	98.7	Very high	98.6	Very high	115 Å²	115	42.2 Å²	42.2	50%	0.504	21%	0.212	S	C	.	.	H	α-helix	trans	-58.6	-47.8	173.3	174.3	-92.3	0	0	0	110.7	E77 Q78 A83 K84 Q85	E77-F81 PolarHBondContact O-N 3.26Å; Q78-F81 WeakPolarHBondContact O-CB 3.4Å; Q78-F81 PolarHBondContact O-N 2.77Å; F81-A83 VanDerWaalsContact C-N 3.34Å; F81-A83 PolarHBondContact O-N 2.81Å; F81-K84 PolarHBondContact O-N 3.44Å; F81-Q85 PolarHBondContact O-N 2.82Å
82	L	98.8	Very high	98.7	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-39.1	177.2	-172.5	60.8	0	0	0	112.1	F67 H72 Q78 N79 L80 K84 Q85 I86 R368	F67-L82 HydrophobicContact CB-CD1 4.33Å; F67-L82 HydrophobicContact CD1-CD1 3.31Å; F67-L82 HydrophobicContact CE1-CD1 3.62Å; F67-L82 HydrophobicContact CG-CD1 3.88Å; F67-L82 HydrophobicContact CZ-CD1 4.4Å; H72-L82 HydrophobicContact CB-CD2 4.43Å; Q78-L82 PolarHBondContact O-N 2.85Å; N79-L82 PolarHBondContact O-N 3.39Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 2.93Å; L82-Q85 WeakPolarHBondContact O-CB 3.21Å; L82-Q85 PolarHBondContact O-N 2.89Å; L82-I86 HydrophobicContact CG-CD1 4.4Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 3.47Å; L82-R368 HydrophobicContact CD2-CG 3.51Å; L82-R368 HydrophobicContact CG-CG 4.05Å
83	A	98.9	Very high	98.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-45.6	174.1	0	0	0	0	0	112.1	N79 L80 F81 I86 Q87 L100 V348	N79-A83 WeakPolarHBondContact O-CB 3.33Å; N79-A83 PolarHBondContact O-N 3.48Å; L80-A83 WeakPolarHBondContact O-CB 3.32Å; L80-A83 PolarHBondContact O-N 2.95Å; F81-A83 VanDerWaalsContact C-N 3.34Å; F81-A83 PolarHBondContact O-N 2.81Å; A83-I86 PolarHBondContact O-N 2.99Å; A83-Q87 WeakPolarHBondContact O-CB 3.48Å; A83-Q87 PolarHBondContact O-N 3.48Å; A83-L100 HydrophobicContact CB-CD2 3.89Å; A83-V348 HydrophobicContact CB-CG2 3.97Å; A83-V348 WeakPolarHBondContact O-CG2 3.49Å
84	K	98.9	Very high	98.7	Very high	116 Å²	116	50.4 Å²	50.4	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-38	176.2	-72.4	173.8	178.4	175.1	0	112	L80 F81 L82 Q87 G88 L100	L80-K84 HydrophobicContact CD1-CD 4.42Å; L80-K84 HydrophobicContact CD1-CG 4.32Å; L80-K84 HydrophobicContact CG-CD 4.45Å; L80-K84 WeakPolarHBondContact O-CG 3.2Å; L80-K84 PolarHBondContact O-N 3.35Å; F81-K84 PolarHBondContact O-N 3.44Å; L82-K84 PolarHBondContact O-N 2.93Å; K84-Q87 PolarHBondContact O-N 3.47Å; K84-G88 PolarHBondContact O-N 3.38Å; K84-L100 HydrophobicContact CG-CD1 3.99Å
85	Q	98.8	Very high	98.6	Very high	56 Å²	56	51 Å²	51	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-50.1	174.9	-177.8	-177.3	-23.6	0	0	110.9	F81 L82 Q87 G88 Q89	F81-Q85 PolarHBondContact O-N 2.82Å; L82-Q85 WeakPolarHBondContact O-CB 3.21Å; L82-Q85 PolarHBondContact O-N 2.89Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.23Å; Q85-G88 PolarHBondContact O-N 3.03Å; Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 3.47Å
86	I	98.9	Very high	98.7	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-44	177.1	-70.4	175.6	0	0	0	110.7	F67 L82 A83 G88 Q89 W90 V348 R368	F67-I86 HydrophobicContact CZ-CD1 4.39Å; F67-I86 HydrophobicContact CZ-CG1 4.02Å; L82-I86 HydrophobicContact CG-CD1 4.4Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 3.47Å; A83-I86 PolarHBondContact O-N 2.99Å; I86-G88 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 2.96Å; I86-Q89 PolarHBondContact O-N 3.38Å; I86-W90 HydrophobicContact CG2-CD2 3.88Å; I86-W90 VanDerWaalsContact CG2-CE2 3.43Å; I86-W90 HydrophobicContact CG2-CE3 4.42Å; I86-W90 HydrophobicContact CG2-CG 4.31Å; I86-W90 HydrophobicContact CG2-CH2 4.2Å; I86-W90 HydrophobicContact CG2-CZ2 3.61Å; I86-W90 WeakPolarHBondContact O-CB 3.39Å; I86-W90 VanDerWaalsContact O-CG 3.29Å; I86-W90 PolarHBondContact O-N 2.81Å; I86-V348 HydrophobicContact CB-CG2 4.4Å; I86-V348 HydrophobicContact CG2-CB 4.33Å; I86-V348 HydrophobicContact CG2-CG1 4.23Å; I86-V348 HydrophobicContact CG2-CG2 4.23Å; I86-R368 HydrophobicContact CD1-CG 4.17Å
87	Q	98.9	Very high	98.7	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-46.7	176	-172.2	-165.4	24.5	0	0	112	A83 K84 Q85 W90 K91 A98 V348	A83-Q87 WeakPolarHBondContact O-CB 3.48Å; A83-Q87 PolarHBondContact O-N 3.48Å; K84-Q87 PolarHBondContact O-N 3.47Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.23Å; Q87-W90 PolarHBondContact O-N 3.44Å; Q87-K91 WeakPolarHBondContact O-CG 3.38Å; Q87-K91 PolarHBondContact O-N 3.04Å; Q87-A98 HydrophobicContact CG-CB 4.2Å; Q87-A98 WeakPolarHBondContact CG-O 3.49Å; Q87-A98 PolarHBondContact NE2-O 3.45Å; Q87-V348 HydrophobicContact CB-CG1 3.87Å; Q87-V348 HydrophobicContact CG-CG1 4.32Å
88	G	98.8	Very high	98.7	Very high	27 Å²	27	44.2 Å²	44.2	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-50.2	177.1	0	0	0	0	0	111.8	K84 Q85 I86 W90 K91 E92	K84-G88 PolarHBondContact O-N 3.38Å; Q85-G88 PolarHBondContact O-N 3.03Å; I86-G88 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 2.96Å; G88-W90 VanDerWaalsContact C-N 3.31Å; G88-W90 PolarHBondContact O-N 2.87Å; G88-K91 WeakPolarHBondContact O-CB 3.45Å; G88-K91 PolarHBondContact O-N 3.25Å; G88-K91 VanDerWaalsContact O-N 3.12Å; G88-E92 WeakPolarHBondContact O-CG 3.42Å; G88-E92 PolarHBondContact O-N 3.46Å
89	Q	98.9	Very high	98.8	Very high	33 Å²	33	46.6 Å²	46.6	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-42.1	177.8	-73.1	177.6	-21.5	0	0	112.2	Q85 I86 K91 E92 F93	Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 3.47Å; I86-Q89 PolarHBondContact O-N 3.38Å; Q89-K91 VanDerWaalsContact C-N 3.32Å; Q89-K91 PolarHBondContact O-N 3.33Å; Q89-E92 WeakPolarHBondContact O-CB 3.27Å; Q89-E92 PolarHBondContact O-N 3Å; Q89-F93 HydrophobicContact CB-CE1 4.48Å; Q89-F93 HydrophobicContact CB-CE2 4.03Å; Q89-F93 HydrophobicContact CB-CZ 3.96Å; Q89-F93 WeakPolarHBondContact O-CB 3.41Å; Q89-F93 WeakPolarHBondContact O-CD1 3.48Å; Q89-F93 WeakPolarHBondContact O-CD2 3.42Å; Q89-F93 WeakPolarHBondContact O-CG 3.15Å; Q89-F93 PolarHBondContact O-N 2.95Å
90	W	98.9	Very high	98.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-33.6	178.5	-74.1	6.5	0	0	0	113.3	I86 Q87 G88 G94 L95 A98 V348 L385 V389 F408	I86-W90 HydrophobicContact CG2-CD2 3.88Å; I86-W90 VanDerWaalsContact CG2-CE2 3.43Å; I86-W90 HydrophobicContact CG2-CE3 4.42Å; I86-W90 HydrophobicContact CG2-CG 4.31Å; I86-W90 HydrophobicContact CG2-CH2 4.2Å; I86-W90 HydrophobicContact CG2-CZ2 3.61Å; I86-W90 WeakPolarHBondContact O-CB 3.39Å; I86-W90 VanDerWaalsContact O-CG 3.29Å; I86-W90 PolarHBondContact O-N 2.81Å; Q87-W90 PolarHBondContact O-N 3.44Å; G88-W90 VanDerWaalsContact C-N 3.31Å; G88-W90 PolarHBondContact O-N 2.87Å; W90-G94 PolarHBondContact O-N 3.42Å; W90-L95 HydrophobicContact CB-CD1 3.88Å; W90-L95 HydrophobicContact CB-CG 4.32Å; W90-L95 HydrophobicContact CD2-CD1 4.16Å; W90-L95 HydrophobicContact CE3-CD1 4.15Å; W90-L95 HydrophobicContact CG-CD1 4.09Å; W90-L95 WeakPolarHBondContact O-CB 3.38Å; W90-L95 WeakPolarHBondContact O-CG 3.45Å; W90-L95 PolarHBondContact O-N 2.9Å; W90-L95 VanDerWaalsContact O-N 3.1Å; W90-A98 HydrophobicContact CB-CB 3.86Å; W90-A98 HydrophobicContact CE3-CB 4.41Å; W90-V348 HydrophobicContact CE3-CB 4.5Å; W90-V348 HydrophobicContact CE3-CG1 3.74Å; W90-V348 HydrophobicContact CH2-CB 4.37Å; W90-V348 HydrophobicContact CH2-CG1 4.46Å; W90-V348 HydrophobicContact CZ3-CB 3.99Å; W90-V348 HydrophobicContact CZ3-CG1 3.71Å; W90-V348 WeakPolarHBondContact CZ3-O 3.48Å; W90-L385 HydrophobicContact CH2-CD2 4.42Å; W90-L385 HydrophobicContact CZ2-CD2 3.97Å; W90-L385 HydrophobicContact CZ2-CG 4.21Å; W90-V389 HydrophobicContact CD2-CG1 4.43Å; W90-V389 HydrophobicContact CG-CG1 3.99Å; W90-V389 HydrophobicContact CZ2-CG2 4.26Å; W90-F408 HydrophobicContact CH2-CB 3.92Å; W90-F408 HydrophobicContact CZ2-CB 4.28Å; W90-F408 HydrophobicContact CZ3-CB 4.08Å
91	K	98.8	Very high	98.8	Very high	120 Å²	120	48.2 Å²	48.2	52%	0.522	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-44.3	171	-67.6	175.6	-178.9	175.1	0	110.9	Q87 G88 Q89 G94 A98	Q87-K91 WeakPolarHBondContact O-CG 3.38Å; Q87-K91 PolarHBondContact O-N 3.04Å; G88-K91 WeakPolarHBondContact O-CB 3.45Å; G88-K91 PolarHBondContact O-N 3.25Å; G88-K91 VanDerWaalsContact O-N 3.12Å; Q89-K91 VanDerWaalsContact C-N 3.32Å; Q89-K91 PolarHBondContact O-N 3.33Å; K91-G94 WeakPolarHBondContact O-CA 3.34Å; K91-G94 PolarHBondContact O-N 2.97Å; K91-A98 WeakPolarHBondContact CE-O 3.37Å; K91-A98 HydrophobicContact CG-CB 3.96Å
92	E	98.6	Very high	98.8	Very high	151 Å²	151	45.2 Å²	45.2	71%	0.706	23%	0.228	S	C	*	.	H	α-helix	trans	-64.7	-37.9	177.9	-70.1	173.4	-175.3	0	0	112.8	G88 Q89 G94	G88-E92 WeakPolarHBondContact O-CG 3.42Å; G88-E92 PolarHBondContact O-N 3.46Å; Q89-E92 WeakPolarHBondContact O-CB 3.27Å; Q89-E92 PolarHBondContact O-N 3Å; E92-G94 PolarHBondContact O-N 3.48Å
93	F	98.8	Very high	98.8	Very high	28 Å²	28	44.9 Å²	44.9	12%	0.123	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.8	173.7	-61.6	-17	0	0	0	112.3	F63 Q89 V389 R390 G393	F63-F93 HydrophobicContact CE1-CZ 4.21Å; F63-F93 AromaticContact CZ-CZ 3.85Å; F63-F93 HydrophobicContact CZ-CZ 3.85Å; Q89-F93 HydrophobicContact CB-CE1 4.48Å; Q89-F93 HydrophobicContact CB-CE2 4.03Å; Q89-F93 HydrophobicContact CB-CZ 3.96Å; Q89-F93 WeakPolarHBondContact O-CB 3.41Å; Q89-F93 WeakPolarHBondContact O-CD1 3.48Å; Q89-F93 WeakPolarHBondContact O-CD2 3.42Å; Q89-F93 WeakPolarHBondContact O-CG 3.15Å; Q89-F93 PolarHBondContact O-N 2.95Å; F93-V389 HydrophobicContact CD2-CB 4.35Å; F93-V389 HydrophobicContact CD2-CG1 3.99Å; F93-R390 HydrophobicContact CD1-CB 4.15Å; F93-R390 HydrophobicContact CD1-CG 3.75Å; F93-R390 HydrophobicContact CD2-CB 3.81Å; F93-R390 HydrophobicContact CD2-CG 4.33Å; F93-R390 HydrophobicContact CE1-CB 4.15Å; F93-R390 HydrophobicContact CE1-CG 3.73Å; F93-R390 HydrophobicContact CE2-CB 3.8Å; F93-R390 HydrophobicContact CE2-CG 4.31Å; F93-R390 HydrophobicContact CG-CB 4Å; F93-R390 HydrophobicContact CG-CG 4.07Å; F93-R390 HydrophobicContact CZ-CB 3.98Å; F93-R390 HydrophobicContact CZ-CG 4.02Å; F93-G393 CarbonylContact O-C 3.49Å; F93-G393 WeakPolarHBondContact O-CA 3.42Å
94	G	98.1	Very high	98.8	Very high	15 Å²	15	46 Å²	46	16%	0.155	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	27.5	172.1	0	0	0	0	0	113.9	W90 K91 E92 K396	W90-G94 PolarHBondContact O-N 3.42Å; K91-G94 WeakPolarHBondContact O-CA 3.34Å; K91-G94 PolarHBondContact O-N 2.97Å; E92-G94 PolarHBondContact O-N 3.48Å; G94-K396 WeakPolarHBondContact O-CD 3.44Å; G94-K396 WeakPolarHBondContact O-CE 3.49Å; G94-K396 PolarHBondContact O-NZ 3.21Å
95	L	98.8	Very high	98.8	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.073	21%	0.209	C	C	.	.			trans	-60	156	166.9	-64.4	-165.8	0	0	0	111.2	W90 L352 V389 F408	W90-L95 HydrophobicContact CB-CD1 3.88Å; W90-L95 HydrophobicContact CB-CG 4.32Å; W90-L95 HydrophobicContact CD2-CD1 4.16Å; W90-L95 HydrophobicContact CE3-CD1 4.15Å; W90-L95 HydrophobicContact CG-CD1 4.09Å; W90-L95 WeakPolarHBondContact O-CB 3.38Å; W90-L95 WeakPolarHBondContact O-CG 3.45Å; W90-L95 PolarHBondContact O-N 2.9Å; W90-L95 VanDerWaalsContact O-N 3.1Å; L95-L352 HydrophobicContact CD2-CB 4.29Å; L95-V389 HydrophobicContact CD1-CG1 3.83Å; L95-V389 HydrophobicContact CD2-CG1 3.97Å; L95-V389 HydrophobicContact CG-CG1 3.94Å; L95-F408 HydrophobicContact CD1-CD2 3.86Å; L95-F408 HydrophobicContact CD2-CD2 4.01Å; L95-F408 HydrophobicContact CD2-CE2 3.86Å
96	D	98.8	Very high	98.8	Very high	64 Å²	64	37.9 Å²	37.9	34%	0.342	20%	0.196	S	C	.	.	S	Bend	trans	-70.7	-35.5	178	-62.3	-46.9	0	0	0	112.2	I351 R353 K396 R401	D96-I351 WeakPolarHBondContact CB-O 2.94Å; D96-I351 PolarHBondContact N-O 3.47Å; D96-R353 VanDerWaalsContact OD2-CB 3.28Å; D96-R353 WeakPolarHBondContact OD2-CB 3.43Å; D96-R353 PolarHBondContact OD2-N 3.39Å; D96-K396 IonicContact OD1-NZ 2.91Å; D96-K396 PolarHBondContact OD1-NZ 3.01Å; D96-R401 VanDerWaalsContact CG-NH1 3.31Å; D96-R401 IonicContact OD1-CZ 3.52Å; D96-R401 IonicContact OD1-NH1 3.18Å; D96-R401 PolarHBondContact OD1-NH1 2.95Å; D96-R401 VanDerWaalsContact OD1-NH1 3.13Å; D96-R401 IonicContact OD1-NH2 2.76Å; D96-R401 PolarHBondContact OD1-NH2 3.46Å; D96-R401 IonicContact OD2-CZ 3.57Å; D96-R401 IonicContact OD2-NH1 3.07Å; D96-R401 PolarHBondContact OD2-NH1 3.02Å; D96-R401 IonicContact OD2-NH2 3.17Å
97	S	98.8	Very high	98.8	Very high	35 Å²	35	37.8 Å²	37.8	25%	0.245	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.3	170	67.2	0	0	0	0	110.3	G350 I351	S97-G350 CarbonylContact O-C 3.29Å; S97-G350 VanDerWaalsContact O-CA 3.28Å; S97-G350 WeakPolarHBondContact O-CA 3.35Å; S97-I351 PolarHBondContact O-N 2.97Å; S97-I351 WeakPolarHBondContact OG-CB 3.2Å
98	A	98.8	Very high	98.8	Very high	3 Å²	3	36 Å²	36	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	112.3	169.8	0	0	0	0	0	108.8	Q87 W90 K91 I349	Q87-A98 HydrophobicContact CG-CB 4.2Å; Q87-A98 WeakPolarHBondContact CG-O 3.49Å; Q87-A98 PolarHBondContact NE2-O 3.45Å; W90-A98 HydrophobicContact CB-CB 3.86Å; W90-A98 HydrophobicContact CE3-CB 4.41Å; K91-A98 WeakPolarHBondContact CE-O 3.37Å; K91-A98 HydrophobicContact CG-CB 3.96Å; A98-I349 CarbonylContact C-O 3.47Å; A98-I349 VanDerWaalsContact CA-O 3.3Å; A98-I349 WeakPolarHBondContact CA-O 3.19Å
99	E	98.8	Very high	98.7	Very high	118 Å²	118	36.7 Å²	36.7	55%	0.551	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.2	-169.4	-65.4	-178.1	-172.4	0	0	111.5	V348 I349	E99-V348 CarbonylContact O-C 3.56Å; E99-V348 WeakPolarHBondContact O-CA 3.27Å; E99-I349 PolarHBondContact N-O 3.4Å; E99-I349 PolarHBondContact O-N 3.47Å
100	L	98.9	Very high	98.6	Very high	45 Å²	45	35.7 Å²	35.7	24%	0.236	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.2	167.3	-66	178.2	0	0	0	108.3	L80 A83 K84 Y346 N347 V348	L80-L100 HydrophobicContact CD1-CD1 4.35Å; A83-L100 HydrophobicContact CB-CD2 3.89Å; K84-L100 HydrophobicContact CG-CD1 3.99Å; L100-Y346 HydrophobicContact CB-CD1 4.37Å; L100-Y346 HydrophobicContact CD1-CD1 4.44Å; L100-N347 CarbonylContact C-O 3.53Å; L100-N347 VanDerWaalsContact CA-O 3.29Å; L100-N347 WeakPolarHBondContact CA-O 3.31Å; L100-V348 HydrophobicContact CD2-CB 4.46Å; L100-V348 HydrophobicContact CD2-CG2 3.79Å
101	V	98.9	Very high	98.5	Very high	26 Å²	26	37.3 Å²	37.3	16%	0.158	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.2	174.1	-176.6	0	0	0	0	108.1	Y103 N347 I349	V101-Y103 HydrophobicContact CG1-CE2 4.08Å; V101-N347 PolarHBondContact N-O 3.25Å; V101-N347 PolarHBondContact O-N 2.87Å; V101-I349 HydrophobicContact CB-CG1 4.29Å; V101-I349 HydrophobicContact CG2-CB 4.37Å; V101-I349 HydrophobicContact CG2-CG1 3.7Å
102	H	98.9	Very high	98.1	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.241	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	154.5	-173.8	69.9	-90.4	0	0	0	114	E266 R344 I345 Y346	H102-E266 IonicContact CD2-OE1 2.75Å; H102-E266 IonicContact CE1-OE1 3.46Å; H102-E266 IonicContact NE2-OE1 2.65Å; H102-E266 PolarHBondContact NE2-OE1 3.47Å; H102-R344 HydrophobicContact CB-CG 3.99Å; H102-R344 PolarHBondContact NE2-NH1 2.98Å; H102-I345 WeakPolarHBondContact CA-O 3.41Å; H102-I345 VanDerWaalsContact CB-O 3.29Å; H102-I345 WeakPolarHBondContact CB-O 3.44Å; H102-Y346 HydrophobicContact CB-CD1 3.76Å; H102-Y346 HydrophobicContact CB-CE1 3.87Å; H102-Y346 HydrophobicContact CB-CG 4.47Å
103	Y	98.9	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.6	172.2	-56.3	-79.6	0	0	0	109.4	V101 P263 K265 R344 I345 E423 W424 E427	V101-Y103 HydrophobicContact CG1-CE2 4.08Å; Y103-P263 HydrophobicContact CD1-CB 4.34Å; Y103-P263 HydrophobicContact CE1-CB 3.9Å; Y103-K265 HydrophobicContact CD1-CD 3.91Å; Y103-K265 HydrophobicContact CE1-CD 3.8Å; Y103-R344 CarbonylContact O-C 3.59Å; Y103-R344 WeakPolarHBondContact O-CA 3.41Å; Y103-I345 HydrophobicContact CD2-CD1 4.44Å; Y103-I345 PolarHBondContact N-O 2.92Å; Y103-I345 WeakPolarHBondContact O-CG1 3.28Å; Y103-I345 PolarHBondContact O-N 3.44Å; Y103-E423 HydrophobicContact CD1-CB 3.76Å; Y103-E423 HydrophobicContact CD1-CG 4.42Å; Y103-E423 HydrophobicContact CD2-CB 3.67Å; Y103-E423 HydrophobicContact CD2-CG 4.4Å; Y103-E423 HydrophobicContact CE1-CB 3.9Å; Y103-E423 HydrophobicContact CE2-CB 3.81Å; Y103-E423 HydrophobicContact CG-CB 3.65Å; Y103-E423 HydrophobicContact CG-CG 4.12Å; Y103-W424 HydrophobicContact CE2-CB 4.22Å; Y103-W424 WeakPolarHBondContact OH-CA 3.16Å; Y103-E427 HydrophobicContact CE1-CB 4.39Å; Y103-E427 VanDerWaalsContact CE1-OE2 3.24Å; Y103-E427 WeakPolarHBondContact CE1-OE2 3.4Å; Y103-E427 PolarHBondContact OH-OE2 2.9Å
104	D	98.9	Very high	97.8	Very high	24 Å²	24	41.3 Å²	41.3	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	88.6	177.1	-64.7	-42.1	0	0	0	108.8	A264 R270 I342 R344	D104-A264 PolarHBondContact N-O 2.98Å; D104-R270 PolarHBondContact O-NE 2.85Å; D104-R270 PolarHBondContact O-NH2 2.99Å; D104-I342 HydrophobicContact CB-CG2 3.89Å; D104-R344 WeakPolarHBondContact OD1-CA 3.37Å; D104-R344 VanDerWaalsContact OD1-CB 3.24Å; D104-R344 WeakPolarHBondContact OD1-CB 3.15Å; D104-R344 WeakPolarHBondContact OD1-CG 3.3Å; D104-R344 IonicContact OD1-CZ 3.72Å; D104-R344 IonicContact OD1-NE 2.87Å; D104-R344 PolarHBondContact OD1-NE 2.97Å; D104-R344 IonicContact OD1-NH2 3.21Å; D104-R344 PolarHBondContact OD1-NH2 2.63Å; D104-R344 IonicContact OD2-CZ 2.83Å; D104-R344 IonicContact OD2-NE 3.99Å; D104-R344 IonicContact OD2-NH2 3.89Å; D104-R344 PolarHBondContact OD2-NH2 2.82Å
105	V	98.9	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	160	-169.9	-59.3	0	0	0	0	112	L107 D256 A264 I342 T343 I345 L419 E423	V105-L107 HydrophobicContact CG2-CD2 3.72Å; V105-L107 HydrophobicContact CG2-CG 4Å; V105-L107 PolarHBondContact O-N 2.84Å; V105-D256 HydrophobicContact CB-CB 4.22Å; V105-D256 HydrophobicContact CG1-CB 4.05Å; V105-A264 HydrophobicContact CG1-CB 3.91Å; V105-I342 CarbonylContact O-C 3.38Å; V105-I342 VanDerWaalsContact O-CA 3.28Å; V105-I342 WeakPolarHBondContact O-CA 3.32Å; V105-T343 PolarHBondContact N-O 3.31Å; V105-T343 PolarHBondContact O-N 2.93Å; V105-I345 HydrophobicContact CG1-CD1 3.87Å; V105-I345 HydrophobicContact CG1-CG1 4.2Å; V105-I345 HydrophobicContact CG2-CB 4.4Å; V105-I345 HydrophobicContact CG2-CD1 3.86Å; V105-I345 HydrophobicContact CG2-CG1 3.93Å; V105-I345 HydrophobicContact CG2-CG2 3.61Å; V105-L419 HydrophobicContact CB-CD1 4.13Å; V105-L419 HydrophobicContact CG2-CD1 3.88Å; V105-E423 HydrophobicContact CG1-CG 3.89Å
106	L	98.8	Very high	97.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.5	173	-170	69.5	0	0	0	110.5	F154 D256 P257 L258 V273 I279 N340 I342	L106-F154 HydrophobicContact CD2-CE1 4.3Å; L106-F154 HydrophobicContact CG-CE1 4.14Å; L106-F154 VanDerWaalsContact O-CE1 3.26Å; L106-F154 WeakPolarHBondContact O-CE1 3.31Å; L106-F154 VanDerWaalsContact O-CZ 3.24Å; L106-F154 WeakPolarHBondContact O-CZ 3.33Å; L106-D256 WeakPolarHBondContact CB-OD1 3.43Å; L106-D256 PolarHBondContact N-OD1 3.25Å; L106-P257 HydrophobicContact CD2-CB 4.22Å; L106-P257 HydrophobicContact CD2-CG 4.39Å; L106-L258 HydrophobicContact CB-CD1 3.96Å; L106-L258 HydrophobicContact CB-CG 3.97Å; L106-L258 HydrophobicContact CD1-CD1 4.03Å; L106-L258 HydrophobicContact CD2-CD1 4.19Å; L106-L258 HydrophobicContact CD2-CD2 4.01Å; L106-L258 HydrophobicContact CD2-CG 4.01Å; L106-L258 HydrophobicContact CG-CD1 4.29Å; L106-L258 HydrophobicContact CG-CG 4.45Å; L106-V273 HydrophobicContact CD1-CG2 4.13Å; L106-V273 HydrophobicContact CD2-CG1 4.26Å; L106-I279 HydrophobicContact CD2-CD1 3.83Å; L106-N340 HydrophobicContact CD1-CB 3.87Å; L106-N340 HydrophobicContact CD2-CB 4.34Å; L106-N340 HydrophobicContact CG-CB 4.23Å; L106-I342 HydrophobicContact CD1-CG1 4.31Å
107	L	98.8	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	176.1	169	-57.8	-172.2	0	0	0	110.5	A74 V105 Y109 N340 K341 T343 I345 A413 F416 L419	A74-L107 HydrophobicContact CB-CD1 4.16Å; V105-L107 HydrophobicContact CG2-CD2 3.72Å; V105-L107 HydrophobicContact CG2-CG 4Å; V105-L107 PolarHBondContact O-N 2.84Å; L107-Y109 HydrophobicContact CB-CE2 3.79Å; L107-Y109 WeakPolarHBondContact CD1-OH 3.33Å; L107-N340 CarbonylContact O-C 3.57Å; L107-N340 VanDerWaalsContact O-CA 3.29Å; L107-N340 WeakPolarHBondContact O-CA 3.22Å; L107-K341 PolarHBondContact N-O 3.01Å; L107-K341 PolarHBondContact O-N 3.33Å; L107-T343 HydrophobicContact CD1-CG2 3.93Å; L107-I345 HydrophobicContact CD1-CG2 3.9Å; L107-A413 HydrophobicContact CD2-CB 3.96Å; L107-F416 HydrophobicContact CB-CD1 4.37Å; L107-F416 HydrophobicContact CB-CE1 4.45Å; L107-F416 HydrophobicContact CD2-CB 3.71Å; L107-F416 HydrophobicContact CD2-CD1 3.99Å; L107-F416 HydrophobicContact CD2-CD2 4.09Å; L107-F416 HydrophobicContact CD2-CG 3.65Å; L107-L419 HydrophobicContact CD2-CD1 3.68Å
108	S	98.5	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.8	-176	-178.6	0	0	0	0	111	Y151 F154 T338 N339 N340 F416	S108-Y151 WeakPolarHBondContact O-CE2 3.5Å; S108-Y151 PolarHBondContact O-OH 3.3Å; S108-F154 VanDerWaalsContact CB-N 3.28Å; S108-F154 PolarHBondContact OG-N 3.37Å; S108-T338 WeakPolarHBondContact OG-CG2 3.32Å; S108-N339 CarbonylContact C-O 3.52Å; S108-N339 VanDerWaalsContact CA-O 3.25Å; S108-N339 WeakPolarHBondContact CA-O 3.44Å; S108-N340 VanDerWaalsContact CB-OD1 3.28Å; S108-N340 WeakPolarHBondContact CB-OD1 3.37Å; S108-N340 PolarHBondContact OG-OD1 2.9Å; S108-F416 WeakPolarHBondContact O-CE1 2.86Å
109	Y	98.2	Very high	97.6	Very high	42 Å²	42	39.8 Å²	39.8	17%	0.165	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.6	-178.2	-54.7	-83.6	0	0	0	110.8	L73 A74 L107 L148 N339 F416	L73-Y109 HydrophobicContact CD2-CD1 3.76Å; L73-Y109 HydrophobicContact CD2-CE1 3.5Å; L73-Y109 VanDerWaalsContact CD2-CE1 3.5Å; L73-Y109 HydrophobicContact CG-CE1 4.27Å; A74-Y109 PolarHBondContact O-OH 3.11Å; L107-Y109 HydrophobicContact CB-CE2 3.79Å; L107-Y109 WeakPolarHBondContact CD1-OH 3.33Å; Y109-L148 HydrophobicContact CD1-CD1 4.18Å; Y109-N339 PolarHBondContact N-O 3.44Å; Y109-N339 PolarHBondContact O-N 3.27Å; Y109-F416 HydrophobicContact CE1-CZ 4.37Å
110	P	97	Very high	97.5	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.071	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	151.1	173.4	29.5	-34.7	0	0	0	111	L148 P149 Y151	P110-L148 HydrophobicContact CG-CD2 3.89Å; P110-P149 HydrophobicContact CB-CG 4.13Å; P110-P149 HydrophobicContact CG-CG 3.81Å; P110-Y151 HydrophobicContact CB-CG 4.49Å; P110-Y151 HydrophobicContact CG-CD1 4.18Å; P110-Y151 HydrophobicContact CG-CE1 4.41Å; P110-Y151 HydrophobicContact CG-CG 4.32Å
111	N	95.6	Very high	97.4	Very high	35 Å²	35	32.6 Å²	32.6	19%	0.187	17%	0.167	C	C	.	.			trans	-77.1	121.6	172.3	-172.7	-24.7	0	0	0	110.2	T113 Q114 Q337	N111-T113 VanDerWaalsContact C-N 3.29Å; N111-T113 PolarHBondContact O-N 3.03Å; N111-T113 PolarHBondContact OD1-N 3.38Å; N111-T113 PolarHBondContact OD1-OG1 2.9Å; N111-Q114 HydrophobicContact CB-CB 4.37Å; N111-Q114 CarbonylContact O-C 3.57Å; N111-Q114 PolarHBondContact O-N 3.47Å; N111-Q114 VanDerWaalsContact O-O 3.13Å; N111-Q114 PolarHBondContact OD1-N 3.43Å; N111-Q337 HydrophobicContact CB-CB 4.02Å; N111-Q337 WeakPolarHBondContact CB-O 3.46Å; N111-Q337 PolarHBondContact N-O 3.33Å
112	E	91.4	Very high	97.2	Very high	180 Å²	180	32.8 Å²	32.8	84%	0.841	17%	0.167	S	C	*	.	S	Bend	trans	-64.6	-31.7	-179.7	-64.4	-179.2	-178.8	0	0	113.2
113	T	94.3	Very high	96.8	Very high	117 Å²	117	35.3 Å²	35.3	72%	0.718	18%	0.183	S	C	*	.	S	Bend	trans	-87.4	-17.2	-177.5	62.7	0	0	0	0	113.5	N111	N111-T113 VanDerWaalsContact C-N 3.29Å; N111-T113 PolarHBondContact O-N 3.03Å; N111-T113 PolarHBondContact OD1-N 3.38Å; N111-T113 PolarHBondContact OD1-OG1 2.9Å
114	Q	95.5	Very high	96.5	Very high	86 Å²	86	41.4 Å²	41.4	40%	0.402	21%	0.211	S	C	.	.	S	Bend	trans	-133.9	83.5	-179.7	-64.8	-174.5	-12	0	0	108.4	N111 Q337	N111-Q114 HydrophobicContact CB-CB 4.37Å; N111-Q114 CarbonylContact O-C 3.57Å; N111-Q114 PolarHBondContact O-N 3.47Å; N111-Q114 VanDerWaalsContact O-O 3.13Å; N111-Q114 PolarHBondContact OD1-N 3.43Å; Q114-Q337 HydrophobicContact CB-CB 3.98Å; Q114-Q337 HydrophobicContact CB-CG 3.85Å; Q114-Q337 WeakPolarHBondContact O-CB 3.41Å
115	P	95.6	Very high	96.2	Very high	50 Å²	50	41.6 Å²	41.6	33%	0.325	22%	0.218	S	C	.	.			trans	-65	147.8	-174.5	27	-34.4	0	0	0	111.1	Y117 L133 H335	P115-Y117 WeakPolarHBondContact O-CD1 3.49Å; P115-L133 HydrophobicContact CB-CD1 4.49Å; P115-L133 HydrophobicContact CB-CD2 4.28Å; P115-L133 HydrophobicContact CG-CD1 4.18Å; P115-L133 HydrophobicContact CG-CD2 4.38Å; P115-H335 PolarHBondContact O-CD2 3.22Å
116	N	98.3	Very high	96	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.032	24%	0.241	C	C	.	.			trans	-74	138.7	172.9	-59.9	-36.9	0	0	0	109.8	H285 H335 V336 Q337 T338	N116-H285 WeakPolarHBondContact CB-CE1 3.22Å; N116-H335 VanDerWaalsContact CA-O 3.27Å; N116-H335 WeakPolarHBondContact CA-O 3.35Å; N116-V336 WeakPolarHBondContact OD1-CA 3.42Å; N116-Q337 PolarHBondContact OD1-N 3.34Å; N116-T338 PolarHBondContact ND2-OG1 2.96Å
117	Y	98.4	Very high	95.8	Very high	42 Å²	42	49.1 Å²	49.1	17%	0.165	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	167.3	171.5	68.3	-82.4	0	0	0	111.6	P115 E127 L133 H335	P115-Y117 WeakPolarHBondContact O-CD1 3.49Å; Y117-E127 WeakPolarHBondContact CE2-OE1 3.41Å; Y117-E127 PolarHBondContact OH-OE1 3.22Å; Y117-L133 HydrophobicContact CD1-CD2 4.39Å; Y117-L133 HydrophobicContact CG-CD2 4.25Å; Y117-H335 HydrophobicContact CD1-CB 3.89Å; Y117-H335 HydrophobicContact CE1-CB 3.64Å; Y117-H335 AromaticContact CE1-CD2 3.96Å; Y117-H335 AromaticContact CE1-CG 3.69Å; Y117-H335 HydrophobicContact CE2-CB 4.49Å; Y117-H335 HydrophobicContact CG-CB 4.39Å; Y117-H335 PolarHBondContact N-O 3.31Å; Y117-H335 PolarHBondContact O-N 3.32Å
118	I	98.6	Very high	95.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.7	170.4	-66.9	151.7	0	0	0	107.9	T131 I216 H285 I287 L295 V332 R333 M334	I118-T131 HydrophobicContact CB-CG2 3.75Å; I118-T131 HydrophobicContact CG2-CG2 4.33Å; I118-T131 PolarHBondContact N-OG1 3.21Å; I118-T131 WeakPolarHBondContact O-CG2 2.88Å; I118-T131 PolarHBondContact O-N 3.05Å; I118-T131 PolarHBondContact O-OG1 3.03Å; I118-I216 HydrophobicContact CD1-CB 4.19Å; I118-I216 HydrophobicContact CD1-CD1 3.72Å; I118-I216 HydrophobicContact CD1-CG1 3.57Å; I118-I216 HydrophobicContact CD1-CG2 3.68Å; I118-I216 HydrophobicContact CG1-CD1 4.21Å; I118-I216 HydrophobicContact CG1-CG1 4.3Å; I118-I216 HydrophobicContact CG2-CD1 3.9Å; I118-H285 HydrophobicContact CD1-CB 4.2Å; I118-I287 HydrophobicContact CD1-CG2 3.55Å; I118-L295 HydrophobicContact CG2-CD1 4.19Å; I118-V332 HydrophobicContact CG2-CG1 3.57Å; I118-R333 CarbonylContact C-O 3.57Å; I118-R333 WeakPolarHBondContact CA-O 3.35Å; I118-M334 HydrophobicContact CG1-CG 4.23Å
119	S	98.1	Very high	95.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.6	175.2	65.6	0	0	0	0	112.7	E127 F129 N130 V332 R333	S119-E127 PolarHBondContact OG-OE1 3.17Å; S119-F129 CarbonylContact C-O 3.5Å; S119-F129 WeakPolarHBondContact CA-O 3.39Å; S119-F129 VanDerWaalsContact CB-O 3.24Å; S119-F129 WeakPolarHBondContact CB-O 3.46Å; S119-N130 WeakPolarHBondContact CB-OD1 3.48Å; S119-V332 CarbonylContact O-C 3.55Å; S119-V332 WeakPolarHBondContact O-CA 3.41Å; S119-R333 PolarHBondContact N-O 3.12Å; S119-R333 PolarHBondContact O-N 3.33Å; S119-R333 WeakPolarHBondContact OG-CB 3.27Å
120	V	97.8	Very high	95.6	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.9	162.8	-177	0	0	0	0	107	I128 F129 L295 F323 R330 K331	V120-I128 HydrophobicContact CB-CD1 4.14Å; V120-I128 HydrophobicContact CB-CG1 3.87Å; V120-I128 HydrophobicContact CG1-CD1 3.65Å; V120-I128 HydrophobicContact CG1-CG1 3.88Å; V120-I128 WeakPolarHBondContact O-CG1 3.41Å; V120-I128 PolarHBondContact O-N 3.09Å; V120-F129 HydrophobicContact CB-CB 4.34Å; V120-F129 HydrophobicContact CG2-CB 4.47Å; V120-F129 HydrophobicContact CG2-CD1 4.15Å; V120-F129 PolarHBondContact N-O 3Å; V120-L295 HydrophobicContact CG2-CD2 3.49Å; V120-L295 VanDerWaalsContact CG2-CD2 3.49Å; V120-F323 HydrophobicContact CG1-CE2 3.87Å; V120-F323 HydrophobicContact CG1-CZ 4.22Å; V120-F323 HydrophobicContact CG2-CZ 4.18Å; V120-R330 HydrophobicContact CG1-CB 4.06Å; V120-K331 WeakPolarHBondContact CA-O 3.01Å
121	I	96.8	Very high	95.6	Very high	3 Å²	3	56 Å²	56	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.5	-179.5	63.1	173.3	0	0	0	111.5	N126 E127 E161 R330 K331 R333	I121-N126 WeakPolarHBondContact CA-O 3.46Å; I121-E127 HydrophobicContact CG2-CG 4.16Å; I121-E161 HydrophobicContact CD1-CB 4.23Å; I121-E161 HydrophobicContact CD1-CG 3.75Å; I121-E161 WeakPolarHBondContact CD1-OE1 3.24Å; I121-E161 VanDerWaalsContact CD1-OE2 3.29Å; I121-E161 WeakPolarHBondContact CD1-OE2 3.34Å; I121-R330 CarbonylContact O-C 3.59Å; I121-R330 WeakPolarHBondContact O-CA 3.35Å; I121-R330 VanDerWaalsContact O-CB 3.27Å; I121-R330 WeakPolarHBondContact O-CB 3.1Å; I121-K331 HydrophobicContact CD1-CB 4.21Å; I121-K331 HydrophobicContact CG1-CB 3.9Å; I121-K331 PolarHBondContact N-O 2.85Å; I121-K331 PolarHBondContact O-N 2.93Å; I121-R333 HydrophobicContact CG2-CB 4.17Å
122	D	94.1	Very high	95.6	Very high	30 Å²	30	57.1 Å²	57.1	16%	0.16	30%	0.304	C	S	.	.			trans	-82.8	-177.4	170.2	67.1	19.1	0	0	0	112.5	Q124 G125 N126 I128	D122-Q124 PolarHBondContact O-N 3.32Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.31Å; D122-Q124 PolarHBondContact OD1-N 3.23Å; D122-Q124 PolarHBondContact OD1-OE1 2.98Å; D122-Q124 PolarHBondContact OD2-OE1 3.09Å; D122-G125 PolarHBondContact O-N 3.08Å; D122-G125 PolarHBondContact OD1-N 3.06Å; D122-N126 PolarHBondContact N-O 2.87Å; D122-N126 VanDerWaalsContact N-O 3.08Å; D122-N126 PolarHBondContact OD1-N 3.01Å; D122-N126 PolarHBondContact OD1-ND2 3.32Å; D122-N126 WeakPolarHBondContact OD2-CB 3.38Å; D122-N126 PolarHBondContact OD2-ND2 3.29Å; D122-I128 HydrophobicContact CB-CG2 4.38Å
123	D	91.2	Very high	95.9	Very high	106 Å²	106	52 Å²	52	57%	0.567	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.1	-180	58.2	-47.5	0	0	0	113.7
124	Q	91.9	Very high	95.9	Very high	128 Å²	128	53 Å²	53	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-3	170.4	-57.6	81.1	29	0	0	112.4	D122	D122-Q124 PolarHBondContact O-N 3.32Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.31Å; D122-Q124 PolarHBondContact OD1-N 3.23Å; D122-Q124 PolarHBondContact OD1-OE1 2.98Å; D122-Q124 PolarHBondContact OD2-OE1 3.09Å
125	G	91.6	Very high	95.8	Very high	27 Å²	27	49.2 Å²	49.2	28%	0.278	26%	0.258	S	S	.	.			trans	83.1	10.7	179.4	0	0	0	0	0	114.7	D122 R333	D122-G125 PolarHBondContact O-N 3.08Å; D122-G125 PolarHBondContact OD1-N 3.06Å; G125-R333 PolarHBondContact O-NH2 3.45Å
126	N	95.2	Very high	95.5	Very high	90 Å²	90	50.1 Å²	50.1	48%	0.481	27%	0.265	S	S	.	.			trans	-75	139.4	176.5	-51.2	-59.5	0	0	0	110.4	I121 D122 I128	I121-N126 WeakPolarHBondContact CA-O 3.46Å; D122-N126 PolarHBondContact N-O 2.87Å; D122-N126 VanDerWaalsContact N-O 3.08Å; D122-N126 PolarHBondContact OD1-N 3.01Å; D122-N126 PolarHBondContact OD1-ND2 3.32Å; D122-N126 WeakPolarHBondContact OD2-CB 3.38Å; D122-N126 PolarHBondContact OD2-ND2 3.29Å; N126-I128 PolarHBondContact O-N 3.14Å
127	E	96.1	Very high	95.2	Very high	70 Å²	70	52.7 Å²	52.7	33%	0.327	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.9	174.3	-62.4	-174.7	163.8	0	0	110.2	Y117 S119 I121 N130 R333	Y117-E127 WeakPolarHBondContact CE2-OE1 3.41Å; Y117-E127 PolarHBondContact OH-OE1 3.22Å; S119-E127 PolarHBondContact OG-OE1 3.17Å; I121-E127 HydrophobicContact CG2-CG 4.16Å; E127-N130 PolarHBondContact OE2-ND2 2.94Å; E127-N130 PolarHBondContact OE2-OD1 3.43Å; E127-N130 VanDerWaalsContact OE2-OD1 3.12Å; E127-R333 IonicContact OE1-NH1 2.76Å; E127-R333 PolarHBondContact OE1-NH1 2.94Å
128	I	95.3	Very high	95	Very high	71 Å²	71	50.9 Å²	50.9	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-16.5	-179.6	58.6	163	0	0	0	112.8	V120 D122 N126 R330	V120-I128 HydrophobicContact CB-CD1 4.14Å; V120-I128 HydrophobicContact CB-CG1 3.87Å; V120-I128 HydrophobicContact CG1-CD1 3.65Å; V120-I128 HydrophobicContact CG1-CG1 3.88Å; V120-I128 WeakPolarHBondContact O-CG1 3.41Å; V120-I128 PolarHBondContact O-N 3.09Å; D122-I128 HydrophobicContact CB-CG2 4.38Å; N126-I128 PolarHBondContact O-N 3.14Å; I128-R330 VanDerWaalsContact CD1-CD 3.5Å; I128-R330 HydrophobicContact CD1-CG 4.38Å; I128-R330 VanDerWaalsContact CD1-NE 3.31Å
129	F	96.9	Very high	94.7	Very high	45 Å²	45	57.2 Å²	57.2	20%	0.197	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	135.8	175.6	168.4	-104.9	0	0	0	108.3	S119 V120 T131 D291 V294 L295	S119-F129 CarbonylContact C-O 3.5Å; S119-F129 WeakPolarHBondContact CA-O 3.39Å; S119-F129 VanDerWaalsContact CB-O 3.24Å; S119-F129 WeakPolarHBondContact CB-O 3.46Å; V120-F129 HydrophobicContact CB-CB 4.34Å; V120-F129 HydrophobicContact CG2-CB 4.47Å; V120-F129 HydrophobicContact CG2-CD1 4.15Å; V120-F129 PolarHBondContact N-O 3Å; F129-T131 HydrophobicContact CE1-CG2 3.78Å; F129-T131 HydrophobicContact CZ-CG2 4.16Å; F129-D291 HydrophobicContact CZ-CB 4.23Å; F129-V294 HydrophobicContact CD1-CG1 3.87Å; F129-V294 HydrophobicContact CD2-CG1 3.82Å; F129-V294 HydrophobicContact CE1-CB 4.12Å; F129-V294 HydrophobicContact CE1-CG1 3.95Å; F129-V294 HydrophobicContact CE2-CB 4.14Å; F129-V294 HydrophobicContact CE2-CG1 3.92Å; F129-V294 HydrophobicContact CE2-CG2 4.04Å; F129-V294 HydrophobicContact CG-CG1 3.79Å; F129-V294 HydrophobicContact CZ-CB 3.91Å; F129-V294 HydrophobicContact CZ-CG1 3.98Å; F129-V294 HydrophobicContact CZ-CG2 4.16Å; F129-L295 HydrophobicContact CD1-CD2 4.34Å; F129-L295 HydrophobicContact CE1-CD2 4.28Å; F129-L295 HydrophobicContact CE1-CG 4.5Å
130	N	97.6	Very high	94.5	Very high	74 Å²	74	60.1 Å²	60.1	40%	0.396	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.8	174	-71.9	-22.7	0	0	0	108.7	S119 E127	S119-N130 WeakPolarHBondContact CB-OD1 3.48Å; E127-N130 PolarHBondContact OE2-ND2 2.94Å; E127-N130 PolarHBondContact OE2-OD1 3.43Å; E127-N130 VanDerWaalsContact OE2-OD1 3.12Å
131	T	97.9	Very high	94.4	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.037	34%	0.335	C	S	.	.			trans	-69.2	162.4	174.7	60.3	0	0	0	0	111.5	I118 F129 L133 I287 D291	I118-T131 HydrophobicContact CB-CG2 3.75Å; I118-T131 HydrophobicContact CG2-CG2 4.33Å; I118-T131 PolarHBondContact N-OG1 3.21Å; I118-T131 WeakPolarHBondContact O-CG2 2.88Å; I118-T131 PolarHBondContact O-N 3.05Å; I118-T131 PolarHBondContact O-OG1 3.03Å; F129-T131 HydrophobicContact CE1-CG2 3.78Å; F129-T131 HydrophobicContact CZ-CG2 4.16Å; T131-L133 PolarHBondContact O-N 2.71Å; T131-I287 HydrophobicContact CG2-CG2 4.14Å; T131-D291 WeakPolarHBondContact CB-OD2 3.46Å; T131-D291 HydrophobicContact CG2-CB 3.98Å
132	S	96.1	Very high	94.3	Very high	60 Å²	60	65.7 Å²	65.7	42%	0.42	36%	0.359	S	S	.	.			trans	-58.9	136	175.4	-55.4	0	0	0	0	110.9	D291	S132-D291 WeakPolarHBondContact CB-OD2 3.24Å; S132-D291 PolarHBondContact N-OD2 2.68Å; S132-D291 PolarHBondContact OG-OD2 2.73Å; S132-D291 VanDerWaalsContact OG-OD2 3.13Å
133	L	96.1	Very high	94.3	Very high	73 Å²	73	71.8 Å²	71.8	38%	0.382	39%	0.392	S	S	.	.	S	Bend	trans	-82.8	-25.3	177.5	-59	-175.8	0	0	0	112.7	P115 Y117 T131 P149	P115-L133 HydrophobicContact CB-CD1 4.49Å; P115-L133 HydrophobicContact CB-CD2 4.28Å; P115-L133 HydrophobicContact CG-CD1 4.18Å; P115-L133 HydrophobicContact CG-CD2 4.38Å; Y117-L133 HydrophobicContact CD1-CD2 4.39Å; Y117-L133 HydrophobicContact CG-CD2 4.25Å; T131-L133 PolarHBondContact O-N 2.71Å; L133-P149 WeakPolarHBondContact O-CB 3.22Å
134	F	94.6	Very high	94.4	Very high	137 Å²	137	68.1 Å²	68.1	60%	0.601	37%	0.373	S	S	*	.	S	Bend	trans	-149.4	157.9	-177.1	53.4	-94.2	0	0	0	110.4
135	E	94.6	Very high	94.4	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.028	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-80.3	140.2	167.6	-67.3	167.2	119.7	0	0	109.6	P150 G242 A243 R245 T544 V545	E135-P150 HydrophobicContact CG-CG 3.77Å; E135-G242 VanDerWaalsContact OE1-CA 3.27Å; E135-G242 WeakPolarHBondContact OE1-CA 3.46Å; E135-A243 PolarHBondContact OE1-N 2.85Å; E135-R245 IonicContact OE1-NH1 3.25Å; E135-R245 IonicContact OE2-CZ 3.36Å; E135-R245 IonicContact OE2-NH1 2.92Å; E135-R245 PolarHBondContact OE2-NH1 3.09Å; E135-R245 IonicContact OE2-NH2 3.13Å; E135-R245 PolarHBondContact OE2-NH2 3Å; E135-T544 VanDerWaalsContact OE1-CB 3.29Å; E135-T544 WeakPolarHBondContact OE1-CB 3.38Å; E135-V545 HydrophobicContact CB-CB 4.17Å; E135-V545 HydrophobicContact CB-CG1 3.56Å; E135-V545 HydrophobicContact CG-CG1 4.3Å; E135-V545 PolarHBondContact OE2-N 3.25Å
136	P	89.4	Confident	94.2	Very high	70 Å²	70	69.8 Å²	69.8	46%	0.455	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-57.4	129.5	171.2	-22.9	32.8	0	0	0	110.8	Y546	P136-Y546 PolarHBondContact O-OH 3Å
137	P	91.6	Very high	94.2	Very high	60 Å²	60	67.4 Å²	67.4	39%	0.39	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-55.6	137.5	175.3	-25.4	34	0	0	0	111.2
138	P	94.6	Very high	94.1	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.019	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-66.6	154.6	176.7	25.6	-31.9	0	0	0	111.1	G140 Y141 Y232 F373 V545 Y546 T548	P138-G140 PolarHBondContact O-N 2.84Å; P138-Y141 HydrophobicContact CB-CD2 4.28Å; P138-Y141 HydrophobicContact CG-CD2 3.78Å; P138-Y141 HydrophobicContact CG-CG 4.04Å; P138-Y141 WeakPolarHBondContact O-CB 3.4Å; P138-Y141 PolarHBondContact O-N 3.1Å; P138-Y232 HydrophobicContact CB-CE1 3.73Å; P138-F373 HydrophobicContact CG-CE2 4.09Å; P138-V545 HydrophobicContact CG-CG2 4.3Å; P138-Y546 HydrophobicContact CB-CD1 4.13Å; P138-Y546 HydrophobicContact CB-CE1 4.46Å; P138-T548 HydrophobicContact CB-CG2 4.13Å; P138-T548 HydrophobicContact CG-CG2 3.83Å
139	Q	91.9	Very high	94.2	Very high	134 Å²	134	63.9 Å²	63.9	63%	0.626	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	130	177.8	-173.8	-176.4	8.3	0	0	111.5	Y141 E142	Q139-Y141 WeakPolarHBondContact O-CD2 3.32Å; Q139-E142 WeakPolarHBondContact CA-OE1 3.21Å
140	G	93.8	Very high	94.2	Very high	61 Å²	61	62.2 Å²	62.2	63%	0.629	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-3.6	-177.1	0	0	0	0	0	114.8	P138 E142	P138-G140 PolarHBondContact O-N 2.84Å; G140-E142 VanDerWaalsContact C-OE2 3.24Å; G140-E142 WeakPolarHBondContact CA-OE2 3.42Å; G140-E142 VanDerWaalsContact N-CD 3.3Å; G140-E142 PolarHBondContact N-OE1 2.76Å; G140-E142 PolarHBondContact N-OE2 2.92Å
141	Y	95.9	Very high	94.3	Very high	14 Å²	14	58.8 Å²	58.8	6%	0.055	35%	0.348	C	S	.	.			trans	-119.5	16.7	179.3	-60.9	-100.1	0	0	0	112.5	P138 Q139 N143 V144 F373 T548 E550	P138-Y141 HydrophobicContact CB-CD2 4.28Å; P138-Y141 HydrophobicContact CG-CD2 3.78Å; P138-Y141 HydrophobicContact CG-CG 4.04Å; P138-Y141 WeakPolarHBondContact O-CB 3.4Å; P138-Y141 PolarHBondContact O-N 3.1Å; Q139-Y141 WeakPolarHBondContact O-CD2 3.32Å; Y141-N143 PolarHBondContact O-N 3.03Å; Y141-V144 HydrophobicContact CD1-CG2 4.04Å; Y141-V144 HydrophobicContact CG-CG2 4.5Å; Y141-V144 WeakPolarHBondContact O-CB 3.37Å; Y141-V144 PolarHBondContact O-N 2.81Å; Y141-F373 HydrophobicContact CD1-CD1 4.01Å; Y141-F373 AromaticContact CD1-CE1 3.33Å; Y141-F373 HydrophobicContact CD1-CE1 3.33Å; Y141-F373 AromaticContact CD1-CE2 3.93Å; Y141-F373 HydrophobicContact CD1-CE2 3.93Å; Y141-F373 AromaticContact CD1-CZ 3.29Å; Y141-F373 HydrophobicContact CD1-CZ 3.29Å; Y141-F373 AromaticContact CE1-CD1 3.9Å; Y141-F373 HydrophobicContact CE1-CD1 3.9Å; Y141-F373 AromaticContact CE1-CE1 3.71Å; Y141-F373 HydrophobicContact CE1-CE1 3.71Å; Y141-F373 HydrophobicContact CE1-CE2 4.36Å; Y141-F373 HydrophobicContact CE1-CG 4.31Å; Y141-F373 AromaticContact CE1-CZ 3.97Å; Y141-F373 HydrophobicContact CE1-CZ 3.97Å; Y141-F373 HydrophobicContact CG-CE1 4.3Å; Y141-F373 HydrophobicContact CG-CE2 4.24Å; Y141-F373 AromaticContact CG-CZ 3.82Å; Y141-F373 HydrophobicContact CG-CZ 3.82Å; Y141-T548 HydrophobicContact CD2-CG2 4.35Å; Y141-T548 HydrophobicContact CE2-CG2 3.82Å; Y141-E550 WeakPolarHBondContact CE2-OE2 3.45Å; Y141-E550 PolarHBondContact OH-OE2 2.75Å
142	E	94.7	Very high	94.3	Very high	115 Å²	115	58.5 Å²	58.5	54%	0.537	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.2	-173.8	-60.2	82.2	178	0	0	112.9	Q139 G140	Q139-E142 WeakPolarHBondContact CA-OE1 3.21Å; G140-E142 VanDerWaalsContact C-OE2 3.24Å; G140-E142 WeakPolarHBondContact CA-OE2 3.42Å; G140-E142 VanDerWaalsContact N-CD 3.3Å; G140-E142 PolarHBondContact N-OE1 2.76Å; G140-E142 PolarHBondContact N-OE2 2.92Å
143	N	93.5	Very high	94.5	Very high	157 Å²	157	55.7 Å²	55.7	84%	0.84	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	4.2	-179.4	-63.6	-35.9	0	0	0	113.3	Y141 T145	Y141-N143 PolarHBondContact O-N 3.03Å; N143-T145 PolarHBondContact O-N 3.35Å
144	V	94	Very high	94.6	Very high	30 Å²	30	52.2 Å²	52.2	18%	0.182	31%	0.308	C	S	.	.			trans	-77.2	122.5	178.8	176	0	0	0	0	109.4	P71 Y141 I147 F373	P71-V144 HydrophobicContact CG-CG1 4Å; Y141-V144 HydrophobicContact CD1-CG2 4.04Å; Y141-V144 HydrophobicContact CG-CG2 4.5Å; Y141-V144 WeakPolarHBondContact O-CB 3.37Å; Y141-V144 PolarHBondContact O-N 2.81Å; V144-I147 HydrophobicContact CB-CD1 4.34Å; V144-I147 HydrophobicContact CG1-CD1 4.23Å; V144-I147 HydrophobicContact CG1-CG1 4.1Å; V144-F373 HydrophobicContact CG1-CE1 3.97Å; V144-F373 HydrophobicContact CG1-CZ 4.24Å
145	T	91.3	Very high	94.8	Very high	127 Å²	127	45.8 Å²	45.8	78%	0.779	28%	0.28	S	S	*	.			trans	-94.6	164.5	173.8	58.2	0	0	0	0	110.8	N143 I147	N143-T145 PolarHBondContact O-N 3.35Å; T145-I147 VanDerWaalsContact C-N 3.34Å; T145-I147 PolarHBondContact O-N 2.95Å
146	G	87.2	Confident	94.9	Very high	63 Å²	63	46.5 Å²	46.5	65%	0.649	29%	0.287	S	S	*	.			trans	79	11.4	177.6	0	0	0	0	0	115.2	L148	G146-L148 PolarHBondContact O-N 3.16Å
147	I	94.6	Very high	95.3	Very high	40 Å²	40	48 Å²	48	21%	0.205	29%	0.288	C	S	.	.			trans	-70.9	111.2	167.2	-60.1	174	0	0	0	107.8	P71 V144 T145 V372 F373 V545	P71-I147 HydrophobicContact CG-CG1 3.83Å; V144-I147 HydrophobicContact CB-CD1 4.34Å; V144-I147 HydrophobicContact CG1-CD1 4.23Å; V144-I147 HydrophobicContact CG1-CG1 4.1Å; T145-I147 VanDerWaalsContact C-N 3.34Å; T145-I147 PolarHBondContact O-N 2.95Å; I147-V372 HydrophobicContact CG1-CG1 4.32Å; I147-V372 HydrophobicContact CG2-CG1 4.1Å; I147-F373 HydrophobicContact CD1-CE2 4.4Å; I147-F373 HydrophobicContact CD1-CZ 3.88Å; I147-F373 HydrophobicContact CG1-CZ 4.3Å; I147-V545 HydrophobicContact CD1-CG2 4.14Å; I147-V545 HydrophobicContact CG2-CG2 4Å
148	L	94.1	Very high	95.4	Very high	31 Å²	31	46.2 Å²	46.2	16%	0.162	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-73	143	177.5	-75.5	163.9	0	0	0	111	L73 Y109 P110 G146 R245	L73-L148 HydrophobicContact CD2-CD1 3.12Å; L73-L148 HydrophobicContact CG-CD1 4.46Å; Y109-L148 HydrophobicContact CD1-CD1 4.18Å; P110-L148 HydrophobicContact CG-CD2 3.89Å; G146-L148 PolarHBondContact O-N 3.16Å; L148-R245 PolarHBondContact O-NE 3.46Å; L148-R245 PolarHBondContact O-NH2 3.17Å
149	P	97.3	Very high	95.6	Very high	35 Å²	35	51.6 Å²	51.6	23%	0.227	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.4	159.2	175.9	28.5	-35.5	0	0	0	110.9	P110 L133 Y151 R245	P110-P149 HydrophobicContact CB-CG 4.13Å; P110-P149 HydrophobicContact CG-CG 3.81Å; L133-P149 WeakPolarHBondContact O-CB 3.22Å; P149-Y151 WeakPolarHBondContact O-CD1 3.33Å; P149-Y151 PolarHBondContact O-N 3.04Å; P149-R245 PolarHBondContact O-NE 3.32Å
150	P	98.4	Very high	95.7	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.071	28%	0.284	C	S	.	.	S	Bend	trans	-56.5	131.9	172.3	-24.2	34.4	0	0	0	111.6	E135 A243 H285 P286	E135-P150 HydrophobicContact CG-CG 3.77Å; P150-A243 HydrophobicContact CB-CB 3.6Å; P150-A243 HydrophobicContact CG-CB 3.72Å; P150-H285 PolarHBondContact O-CE1 3.29Å; P150-H285 VanDerWaalsContact O-CE1 3.24Å; P150-P286 HydrophobicContact CB-CG 4.14Å
151	Y	98.7	Very high	95.9	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	27%	0.272	C	S	.	.			trans	-157.7	162.1	174.8	76.1	-66.5	0	0	0	110.1	S108 P110 P149 A153 T338 W371	S108-Y151 WeakPolarHBondContact O-CE2 3.5Å; S108-Y151 PolarHBondContact O-OH 3.3Å; P110-Y151 HydrophobicContact CB-CG 4.49Å; P110-Y151 HydrophobicContact CG-CD1 4.18Å; P110-Y151 HydrophobicContact CG-CE1 4.41Å; P110-Y151 HydrophobicContact CG-CG 4.32Å; P149-Y151 WeakPolarHBondContact O-CD1 3.33Å; P149-Y151 PolarHBondContact O-N 3.04Å; Y151-A153 HydrophobicContact CD2-CB 4.44Å; Y151-A153 HydrophobicContact CE2-CB 3.75Å; Y151-T338 HydrophobicContact CD2-CG2 4.02Å; Y151-T338 HydrophobicContact CE2-CG2 4.32Å; Y151-W371 HydrophobicContact CD1-CZ3 4.49Å; Y151-W371 HydrophobicContact CE1-CE3 4.13Å; Y151-W371 AromaticContact CE1-CZ3 3.62Å; Y151-W371 HydrophobicContact CE1-CZ3 3.62Å; Y151-W371 HydrophobicContact CE2-CZ3 4.45Å; Y151-W371 AromaticContact CZ-CZ3 3.6Å; Y151-W371 WeakPolarHBondContact OH-CZ3 3.4Å
152	N	98.8	Very high	96	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.272	C	S	.	.			trans	-102.9	112.2	167.9	-74.1	122.7	0	0	0	109.2	S155 Y195 G246 V248 V284 P286	N152-S155 VanDerWaalsContact O-CB 3.29Å; N152-S155 WeakPolarHBondContact O-CB 3.5Å; N152-S155 PolarHBondContact O-N 2.76Å; N152-Y195 PolarHBondContact ND2-OH 3.26Å; N152-G246 VanDerWaalsContact CA-O 3.28Å; N152-G246 WeakPolarHBondContact CA-O 3.22Å; N152-G246 PolarHBondContact ND2-O 2.95Å; N152-V248 HydrophobicContact CB-CG1 3.82Å; N152-V248 HydrophobicContact CB-CG2 4.16Å; N152-V284 HydrophobicContact CB-CB 4.17Å; N152-V284 HydrophobicContact CB-CG1 3.93Å; N152-V284 WeakPolarHBondContact OD1-CG1 3.29Å; N152-P286 WeakPolarHBondContact OD1-CD 3.49Å
153	A	98.7	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	142.2	-178.7	0	0	0	0	0	111.6	Y151 S155 G246 N247 V248 W371 F416	Y151-A153 HydrophobicContact CD2-CB 4.44Å; Y151-A153 HydrophobicContact CE2-CB 3.75Å; A153-S155 PolarHBondContact O-N 3.43Å; A153-G246 PolarHBondContact N-O 3.14Å; A153-N247 HydrophobicContact CB-CB 4.18Å; A153-V248 WeakPolarHBondContact O-CG2 3.43Å; A153-V248 PolarHBondContact O-N 3.05Å; A153-W371 HydrophobicContact CB-CH2 3.68Å; A153-W371 HydrophobicContact CB-CZ3 4.38Å; A153-F416 HydrophobicContact CB-CD1 4Å; A153-F416 HydrophobicContact CB-CE1 3.72Å
154	F	98.6	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	8.8	-175.2	-49.6	-84.3	0	0	0	115.6	L106 S108 A156 N247 L249 P280 F416	L106-F154 HydrophobicContact CD2-CE1 4.3Å; L106-F154 HydrophobicContact CG-CE1 4.14Å; L106-F154 VanDerWaalsContact O-CE1 3.26Å; L106-F154 WeakPolarHBondContact O-CE1 3.31Å; L106-F154 VanDerWaalsContact O-CZ 3.24Å; L106-F154 WeakPolarHBondContact O-CZ 3.33Å; S108-F154 VanDerWaalsContact CB-N 3.28Å; S108-F154 PolarHBondContact OG-N 3.37Å; F154-A156 PolarHBondContact O-N 3.18Å; F154-N247 HydrophobicContact CD2-CB 4.11Å; F154-N247 HydrophobicContact CE2-CB 4.22Å; F154-L249 HydrophobicContact CB-CD2 3.68Å; F154-L249 HydrophobicContact CB-CG 4.07Å; F154-L249 HydrophobicContact CD1-CD1 4.39Å; F154-L249 HydrophobicContact CD1-CD2 4.06Å; F154-L249 HydrophobicContact CD1-CG 4.41Å; F154-L249 HydrophobicContact CD2-CD1 3.53Å; F154-L249 HydrophobicContact CD2-CD2 3.85Å; F154-L249 HydrophobicContact CD2-CG 3.38Å; F154-L249 HydrophobicContact CE1-CD1 4.26Å; F154-L249 HydrophobicContact CE2-CD1 3.36Å; F154-L249 HydrophobicContact CE2-CD2 4.46Å; F154-L249 HydrophobicContact CE2-CG 3.8Å; F154-L249 HydrophobicContact CG-CD1 4.03Å; F154-L249 HydrophobicContact CG-CD2 3.59Å; F154-L249 HydrophobicContact CG-CG 3.7Å; F154-L249 HydrophobicContact CZ-CD1 3.76Å; F154-L249 HydrophobicContact CZ-CG 4.47Å; F154-P280 VanDerWaalsContact O-CD 3.28Å; F154-P280 WeakPolarHBondContact O-CD 3.41Å; F154-P280 WeakPolarHBondContact O-CG 3.28Å; F154-F416 HydrophobicContact CE2-CB 4.1Å; F154-F416 AromaticContact CE2-CD1 3.66Å; F154-F416 HydrophobicContact CE2-CD1 3.66Å; F154-F416 HydrophobicContact CE2-CG 4.38Å; F154-F416 WeakPolarHBondContact CE2-O 3.22Å; F154-F416 HydrophobicContact CZ-CB 4.23Å; F154-F416 AromaticContact CZ-CD1 3.85Å; F154-F416 HydrophobicContact CZ-CD1 3.85Å
155	S	98.3	Very high	96.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-50.6	139.9	169.8	175.8	0	0	0	0	111.3	N152 A153 P283 V284 V336	N152-S155 VanDerWaalsContact O-CB 3.29Å; N152-S155 WeakPolarHBondContact O-CB 3.5Å; N152-S155 PolarHBondContact O-N 2.76Å; A153-S155 PolarHBondContact O-N 3.43Å; S155-P283 WeakPolarHBondContact OG-CA 3.25Å; S155-V284 WeakPolarHBondContact CB-O 3.1Å; S155-V284 PolarHBondContact OG-N 2.78Å; S155-V284 PolarHBondContact OG-O 2.92Å; S155-V336 WeakPolarHBondContact OG-CG1 3.33Å
156	A	97.6	Very high	96.9	Very high	22 Å²	22	29.2 Å²	29.2	18%	0.182	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-63.8	150	169	0	0	0	0	0	110.3	F154	F154-A156 PolarHBondContact O-N 3.18Å
157	Q	97.2	Very high	97.5	Very high	102 Å²	102	26.2 Å²	26.2	48%	0.477	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-76.4	148.8	170.8	-66.3	179.6	-16.3	0	0	110.2	V336 T338 N339	Q157-V336 VanDerWaalsContact CA-O 3.29Å; Q157-V336 WeakPolarHBondContact CA-O 3.48Å; Q157-T338 WeakPolarHBondContact CG-O 3.25Å; Q157-T338 PolarHBondContact NE2-O 2.94Å; Q157-N339 PolarHBondContact NE2-OD1 3.37Å
158	G	95.4	Very high	97.7	Very high	21 Å²	21	24.3 Å²	24.3	22%	0.216	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	155.2	171.6	0	0	0	0	0	113.6	V336	G158-V336 PolarHBondContact N-O 2.98Å; G158-V336 PolarHBondContact O-N 2.87Å
159	M	96.8	Very high	97.9	Very high	116 Å²	116	23.6 Å²	23.6	57%	0.571	13%	0.128	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.8	162.5	-168.5	175.9	83.3	0	0	107.5	R333 M334	M159-R333 HydrophobicContact CG-CG 4.05Å; M159-M334 VanDerWaalsContact CA-O 3.25Å; M159-M334 WeakPolarHBondContact CA-O 3.43Å
160	L	95.4	Very high	97.9	Very high	28 Å²	28	22 Å²	22	15%	0.147	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.5	-178.1	72.9	104.8	0	0	0	111.5	I190 Q213 P283 R333 M334	L160-I190 HydrophobicContact CD1-CD1 3.65Å; L160-I190 HydrophobicContact CD1-CG1 3.39Å; L160-Q213 HydrophobicContact CD1-CB 3.97Å; L160-Q213 VanDerWaalsContact CD2-O 3.22Å; L160-Q213 WeakPolarHBondContact CD2-O 3.3Å; L160-P283 HydrophobicContact CD2-CB 4.28Å; L160-P283 HydrophobicContact CD2-CG 3.67Å; L160-R333 CarbonylContact O-C 3.57Å; L160-R333 VanDerWaalsContact O-CA 3.25Å; L160-R333 WeakPolarHBondContact O-CA 3.25Å; L160-M334 PolarHBondContact N-O 3.02Å; L160-M334 PolarHBondContact O-N 3.39Å
161	E	97.3	Very high	97.9	Very high	82 Å²	82	23.8 Å²	23.8	38%	0.383	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	-175.9	-62	176.9	179.3	0	0	109.4	I121 V332 R333	I121-E161 HydrophobicContact CD1-CB 4.23Å; I121-E161 HydrophobicContact CD1-CG 3.75Å; I121-E161 WeakPolarHBondContact CD1-OE1 3.24Å; I121-E161 VanDerWaalsContact CD1-OE2 3.29Å; I121-E161 WeakPolarHBondContact CD1-OE2 3.34Å; E161-V332 VanDerWaalsContact CA-O 3.28Å; E161-V332 WeakPolarHBondContact CA-O 3.35Å; E161-R333 HydrophobicContact CG-CB 3.95Å; E161-R333 HydrophobicContact CG-CG 3.88Å; E161-R333 IonicContact OE1-CZ 3.44Å; E161-R333 IonicContact OE1-NE 2.69Å; E161-R333 PolarHBondContact OE1-NE 3.31Å; E161-R333 IonicContact OE1-NH2 3.88Å; E161-R333 PolarHBondContact OE1-NH2 3.13Å
162	A	97.5	Very high	97.7	Very high	6 Å²	6	24.4 Å²	24.4	5%	0.05	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	168.5	178	0	0	0	0	0	112	G188 I190 V332	A162-G188 WeakPolarHBondContact CB-O 3.44Å; A162-I190 HydrophobicContact CB-CD1 4.1Å; A162-I190 HydrophobicContact CB-CG1 3.99Å; A162-V332 PolarHBondContact N-O 3.42Å; A162-V332 PolarHBondContact O-N 3.41Å
163	D	98	Very high	97.5	Very high	52 Å²	52	28.5 Å²	28.5	28%	0.278	15%	0.146	S	C	.	.			trans	-66.8	145.1	167.7	-55.1	-37.9	0	0	0	110.1	K189 I190 P321	D163-K189 HydrophobicContact CB-CD 3.86Å; D163-I190 PolarHBondContact O-N 3.31Å; D163-I190 VanDerWaalsContact O-N 3.08Å; D163-P321 HydrophobicContact CB-CB 4.11Å
164	L	98.3	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.9	-179.7	-166.2	62.2	0	0	0	111.1	I190 I192 I216 L295 M299 P321 G322 V332	L164-I190 CarbonylContact C-O 3.59Å; L164-I190 WeakPolarHBondContact CA-O 3.39Å; L164-I190 HydrophobicContact CD1-CB 4.18Å; L164-I190 HydrophobicContact CD1-CG2 3.68Å; L164-I192 HydrophobicContact CD1-CB 3.95Å; L164-I192 HydrophobicContact CD1-CG2 3.83Å; L164-I192 HydrophobicContact CD2-CG2 3.86Å; L164-I192 HydrophobicContact CG-CB 4.42Å; L164-I192 HydrophobicContact CG-CG2 3.76Å; L164-I216 HydrophobicContact CD1-CD1 4.08Å; L164-L295 HydrophobicContact CD2-CB 4.14Å; L164-M299 HydrophobicContact CB-CE 4.38Å; L164-M299 HydrophobicContact CB-SD 3.85Å; L164-M299 HydrophobicContact CD2-SD 3.71Å; L164-M299 HydrophobicContact CG-CE 4.34Å; L164-M299 HydrophobicContact CG-SD 3.92Å; L164-M299 WeakPolarHBondContact O-CE 3.5Å; L164-P321 WeakPolarHBondContact O-CA 2.96Å; L164-G322 PolarHBondContact O-N 2.87Å; L164-V332 HydrophobicContact CB-CG2 3.94Å; L164-V332 HydrophobicContact CD1-CG2 4.34Å; L164-V332 HydrophobicContact CD2-CG2 4.11Å; L164-V332 HydrophobicContact CG-CG2 4.36Å
165	V	98.8	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.6	170.8	177.8	0	0	0	0	109.8	V167 I184 K189 I190 V191 I192 I319 P321	V165-V167 HydrophobicContact CG1-CG1 3.92Å; V165-I184 HydrophobicContact CG1-CG2 3.93Å; V165-K189 HydrophobicContact CG2-CB 4.04Å; V165-K189 HydrophobicContact CG2-CD 4.45Å; V165-K189 HydrophobicContact CG2-CG 4.01Å; V165-I190 PolarHBondContact N-O 3.08Å; V165-V191 HydrophobicContact CB-CG1 4.35Å; V165-V191 CarbonylContact O-C 3.55Å; V165-V191 VanDerWaalsContact O-CA 3.27Å; V165-V191 WeakPolarHBondContact O-CA 3.5Å; V165-I192 PolarHBondContact O-N 2.81Å; V165-I319 CarbonylContact C-O 3.49Å; V165-I319 VanDerWaalsContact CA-O 3.27Å; V165-I319 WeakPolarHBondContact CA-O 3.28Å; V165-I319 HydrophobicContact CG1-CG2 4.18Å; V165-I319 WeakPolarHBondContact CG1-O 3.34Å; V165-P321 HydrophobicContact CG2-CB 4Å
166	Y	98.8	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.9	173.9	174.2	-112.9	0	0	0	110.7	I192 R194 Y218 L296 W309 Y317 I319	Y166-I192 HydrophobicContact CD2-CG2 4.22Å; Y166-I192 WeakPolarHBondContact CD2-O 3.48Å; Y166-R194 PolarHBondContact OH-NE 3.11Å; Y166-Y218 HydrophobicContact CE2-CE1 4.16Å; Y166-L296 HydrophobicContact CD2-CD2 4.1Å; Y166-L296 HydrophobicContact CG-CD2 4.38Å; Y166-W309 HydrophobicContact CD1-CE3 4.18Å; Y166-W309 HydrophobicContact CE1-CE3 4.05Å; Y166-W309 WeakPolarHBondContact CE1-O 3.44Å; Y166-W309 PolarHBondContact OH-O 3.48Å; Y166-W309 VanDerWaalsContact OH-O 3.04Å; Y166-Y317 AromaticContact CE1-CD1 3.92Å; Y166-Y317 HydrophobicContact CE1-CD1 3.92Å; Y166-Y317 HydrophobicContact CE2-CD1 4.35Å; Y166-Y317 AromaticContact CZ-CD1 3.78Å; Y166-I319 HydrophobicContact CD1-CD1 3.92Å; Y166-I319 PolarHBondContact N-O 3.27Å
167	V	98.6	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.			trans	-119.7	29.5	-171.1	-56.8	0	0	0	0	113.4	V165 Y169 G170 F175 L178 V191 I192 A193	V165-V167 HydrophobicContact CG1-CG1 3.92Å; V167-Y169 PolarHBondContact O-N 2.85Å; V167-Y169 VanDerWaalsContact O-N 3.17Å; V167-G170 PolarHBondContact O-N 3.22Å; V167-F175 HydrophobicContact CB-CE1 4.28Å; V167-F175 HydrophobicContact CB-CZ 4.23Å; V167-F175 HydrophobicContact CG1-CE1 4Å; V167-F175 HydrophobicContact CG1-CZ 4.34Å; V167-F175 HydrophobicContact CG2-CZ 4.07Å; V167-L178 HydrophobicContact CB-CD1 3.96Å; V167-L178 HydrophobicContact CG1-CD1 3.6Å; V167-V191 HydrophobicContact CG1-CB 3.79Å; V167-V191 HydrophobicContact CG1-CG1 3.76Å; V167-V191 HydrophobicContact CG2-CB 4.03Å; V167-V191 HydrophobicContact CG2-CG2 4.37Å; V167-I192 PolarHBondContact N-O 3.41Å; V167-A193 HydrophobicContact CG2-CB 3.64Å
168	N	98.6	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-119.6	-178.5	-166.2	14.5	0	0	0	111.7	R171 D174 A193 R194 W309	N168-R171 PolarHBondContact ND2-NH2 3.3Å; N168-D174 HydrophobicContact CB-CB 4.32Å; N168-D174 PolarHBondContact ND2-OD1 3.43Å; N168-A193 CarbonylContact O-C 3.36Å; N168-A193 WeakPolarHBondContact O-CA 3.49Å; N168-R194 WeakPolarHBondContact O-CG 3.48Å; N168-R194 PolarHBondContact O-N 3.37Å; N168-R194 VanDerWaalsContact OD1-CZ 3.26Å; N168-R194 PolarHBondContact OD1-NE 3.01Å; N168-R194 PolarHBondContact OD1-NH2 3.28Å; N168-W309 HydrophobicContact CB-CD2 3.6Å; N168-W309 HydrophobicContact CB-CE3 3.56Å; N168-W309 HydrophobicContact CB-CG 4.21Å; N168-W309 HydrophobicContact CB-CH2 3.87Å; N168-W309 HydrophobicContact CB-CZ2 3.95Å; N168-W309 HydrophobicContact CB-CZ3 3.7Å
169	Y	98.2	Very high	97.4	Very high	17 Å²	17	33.3 Å²	33.3	7%	0.067	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.1	176.6	-63.4	-82.4	0	0	0	112.9	V167 R171 D174 R194 Y195 K197 K203 D223	V167-Y169 PolarHBondContact O-N 2.85Å; V167-Y169 VanDerWaalsContact O-N 3.17Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.09Å; Y169-D174 PolarHBondContact N-OD2 3.45Å; Y169-R194 HydrophobicContact CD1-CG 3.71Å; Y169-R194 HydrophobicContact CE1-CG 3.86Å; Y169-R194 HydrophobicContact CG-CG 4.18Å; Y169-R194 VanDerWaalsContact CZ-CZ 3.49Å; Y169-R194 VanDerWaalsContact CZ-NE 3.26Å; Y169-Y195 WeakPolarHBondContact CD1-O 3.24Å; Y169-Y195 WeakPolarHBondContact CE1-O 3.19Å; Y169-K197 HydrophobicContact CD1-CB 4.39Å; Y169-K197 HydrophobicContact CD1-CG 3.63Å; Y169-K197 HydrophobicContact CD2-CG 3.85Å; Y169-K197 HydrophobicContact CE1-CD 4.36Å; Y169-K197 HydrophobicContact CE1-CG 3.72Å; Y169-K197 HydrophobicContact CE2-CG 3.98Å; Y169-K197 HydrophobicContact CG-CB 4.37Å; Y169-K197 HydrophobicContact CG-CG 3.68Å; Y169-K197 VanDerWaalsContact OH-CE 3.29Å; Y169-K197 WeakPolarHBondContact OH-CE 3.43Å; Y169-K203 WeakPolarHBondContact O-CD 3.4Å; Y169-K203 WeakPolarHBondContact O-CG 3.42Å; Y169-K203 PolarHBondContact O-NZ 3.07Å; Y169-D223 VanDerWaalsContact CE1-OD2 3.29Å; Y169-D223 WeakPolarHBondContact CE1-OD2 3.28Å; Y169-D223 VanDerWaalsContact OH-CG 3.31Å; Y169-D223 PolarHBondContact OH-OD1 2.83Å; Y169-D223 PolarHBondContact OH-OD2 2.89Å
170	G	98.1	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.152	C	C	.	.			trans	64.6	27.6	-177.5	0	0	0	0	0	113.8	V167 D174 N206	V167-G170 PolarHBondContact O-N 3.22Å; G170-D174 PolarHBondContact N-OD2 3.31Å; G170-N206 PolarHBondContact O-ND2 2.93Å
171	R	97.5	Very high	97.4	Very high	49 Å²	49	38.9 Å²	38.9	19%	0.185	18%	0.176	C	C	.	.			trans	-76.8	164.8	176.2	-55.9	168.8	-65	159.9	-5.6	110.7	N168 Y169 E173 D174 F175 I198	N168-R171 PolarHBondContact ND2-NH2 3.3Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.09Å; R171-E173 VanDerWaalsContact CB-CD 3.41Å; R171-E173 HydrophobicContact CB-CG 4.1Å; R171-E173 VanDerWaalsContact CB-OE2 3.26Å; R171-E173 WeakPolarHBondContact CB-OE2 3.18Å; R171-E173 WeakPolarHBondContact CD-OE1 3.38Å; R171-E173 IonicContact CZ-OE1 2.64Å; R171-E173 VanDerWaalsContact CZ-OE1 3.23Å; R171-E173 IonicContact NE-OE1 3.97Å; R171-E173 PolarHBondContact NE-OE1 3.37Å; R171-E173 IonicContact NH1-OE1 2.68Å; R171-E173 PolarHBondContact NH1-OE1 3.05Å; R171-E173 PolarHBondContact O-N 3.48Å; R171-D174 VanDerWaalsContact CB-OD2 3.3Å; R171-D174 WeakPolarHBondContact CB-OD2 3.36Å; R171-D174 WeakPolarHBondContact CG-OD2 3.36Å; R171-D174 IonicContact CZ-OD1 3.7Å; R171-D174 IonicContact CZ-OD2 3.4Å; R171-D174 PolarHBondContact N-OD2 2.97Å; R171-D174 IonicContact NE-OD1 2.77Å; R171-D174 PolarHBondContact NE-OD1 3.24Å; R171-D174 IonicContact NE-OD2 3.96Å; R171-D174 PolarHBondContact NE-OD2 3.27Å; R171-D174 IonicContact NH2-OD1 3.16Å; R171-D174 PolarHBondContact NH2-OD1 2.91Å; R171-D174 IonicContact NH2-OD2 3.69Å; R171-D174 WeakPolarHBondContact O-CB 3.28Å; R171-D174 PolarHBondContact O-N 3.06Å; R171-F175 WeakPolarHBondContact O-CD2 3.47Å; R171-F175 PolarHBondContact O-N 3.16Å; R171-I198 HydrophobicContact CB-CD1 4.17Å; R171-I198 HydrophobicContact CG-CD1 3.78Å; R171-I198 HydrophobicContact CG-CG1 3.96Å; R171-I198 HydrophobicContact CG-CG2 3.93Å
172	T	95	Very high	97.4	Very high	15 Å²	15	37.2 Å²	37.2	9%	0.092	17%	0.169	C	C	.	.	H	α-helix	trans	-55.4	-44.8	178.3	-43.8	0	0	0	0	110.4	D174 F175 F176 N206 H687 F703	T172-D174 VanDerWaalsContact C-N 3.33Å; T172-D174 PolarHBondContact O-N 3.46Å; T172-F175 PolarHBondContact O-N 3Å; T172-F176 HydrophobicContact CG2-CD2 4.27Å; T172-F176 HydrophobicContact CG2-CE1 3.98Å; T172-F176 HydrophobicContact CG2-CE2 3.69Å; T172-F176 HydrophobicContact CG2-CZ 3.53Å; T172-F176 VanDerWaalsContact O-CG 3.32Å; T172-F176 WeakPolarHBondContact O-CG 3.14Å; T172-F176 PolarHBondContact O-N 3.41Å; T172-N206 PolarHBondContact N-ND2 3.39Å; T172-H687 PolarHBondContact OG1-ND1 2.94Å; T172-F703 HydrophobicContact CG2-CE1 3.94Å; T172-F703 HydrophobicContact CG2-CZ 4.05Å
173	E	95.2	Very high	97.4	Very high	87 Å²	87	40 Å²	40	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-29.1	177	62.9	-90.3	-150.3	0	0	113.9	R171 K177	R171-E173 VanDerWaalsContact CB-CD 3.41Å; R171-E173 HydrophobicContact CB-CG 4.1Å; R171-E173 VanDerWaalsContact CB-OE2 3.26Å; R171-E173 WeakPolarHBondContact CB-OE2 3.18Å; R171-E173 WeakPolarHBondContact CD-OE1 3.38Å; R171-E173 IonicContact CZ-OE1 2.64Å; R171-E173 VanDerWaalsContact CZ-OE1 3.23Å; R171-E173 IonicContact NE-OE1 3.97Å; R171-E173 PolarHBondContact NE-OE1 3.37Å; R171-E173 IonicContact NH1-OE1 2.68Å; R171-E173 PolarHBondContact NH1-OE1 3.05Å; R171-E173 PolarHBondContact O-N 3.48Å; E173-K177 WeakPolarHBondContact O-CB 3.23Å; E173-K177 PolarHBondContact O-N 2.96Å
174	D	98.1	Very high	97.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-43.2	177.2	-62.1	-43.9	0	0	0	109.7	N168 Y169 G170 R171 T172 K177 L178 W309	N168-D174 HydrophobicContact CB-CB 4.32Å; N168-D174 PolarHBondContact ND2-OD1 3.43Å; Y169-D174 PolarHBondContact N-OD2 3.45Å; G170-D174 PolarHBondContact N-OD2 3.31Å; R171-D174 VanDerWaalsContact CB-OD2 3.3Å; R171-D174 WeakPolarHBondContact CB-OD2 3.36Å; R171-D174 WeakPolarHBondContact CG-OD2 3.36Å; R171-D174 IonicContact CZ-OD1 3.7Å; R171-D174 IonicContact CZ-OD2 3.4Å; R171-D174 PolarHBondContact N-OD2 2.97Å; R171-D174 IonicContact NE-OD1 2.77Å; R171-D174 PolarHBondContact NE-OD1 3.24Å; R171-D174 IonicContact NE-OD2 3.96Å; R171-D174 PolarHBondContact NE-OD2 3.27Å; R171-D174 IonicContact NH2-OD1 3.16Å; R171-D174 PolarHBondContact NH2-OD1 2.91Å; R171-D174 IonicContact NH2-OD2 3.69Å; R171-D174 WeakPolarHBondContact O-CB 3.28Å; R171-D174 PolarHBondContact O-N 3.06Å; T172-D174 VanDerWaalsContact C-N 3.33Å; T172-D174 PolarHBondContact O-N 3.46Å; D174-K177 PolarHBondContact O-N 3.37Å; D174-L178 WeakPolarHBondContact O-CG 3.16Å; D174-L178 PolarHBondContact O-N 2.8Å; D174-L178 VanDerWaalsContact O-N 3.09Å; D174-W309 HydrophobicContact CB-CH2 4.04Å; D174-W309 HydrophobicContact CB-CZ2 3.92Å
175	F	98.1	Very high	97.2	Very high	15 Å²	15	43.5 Å²	43.5	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-38.4	175.1	-74.3	-75	0	0	0	112.9	V167 R171 T172 K177 L178 E179 N206 A207 A210	V167-F175 HydrophobicContact CB-CE1 4.28Å; V167-F175 HydrophobicContact CB-CZ 4.23Å; V167-F175 HydrophobicContact CG1-CE1 4Å; V167-F175 HydrophobicContact CG1-CZ 4.34Å; V167-F175 HydrophobicContact CG2-CZ 4.07Å; R171-F175 WeakPolarHBondContact O-CD2 3.47Å; R171-F175 PolarHBondContact O-N 3.16Å; T172-F175 PolarHBondContact O-N 3Å; F175-K177 VanDerWaalsContact C-N 3.31Å; F175-K177 PolarHBondContact O-N 2.93Å; F175-L178 HydrophobicContact CD1-CD1 4.36Å; F175-L178 PolarHBondContact O-N 2.95Å; F175-E179 WeakPolarHBondContact O-CB 3.34Å; F175-E179 PolarHBondContact O-N 3.21Å; F175-N206 HydrophobicContact CD2-CB 3.58Å; F175-N206 HydrophobicContact CE2-CB 3.51Å; F175-A207 HydrophobicContact CZ-CB 3.92Å; F175-A210 HydrophobicContact CD1-CB 3.37Å; F175-A210 HydrophobicContact CE1-CB 3.59Å; F175-A210 HydrophobicContact CG-CB 4.13Å; F175-A210 HydrophobicContact CZ-CB 4.49Å
176	F	96	Very high	97.2	Very high	52 Å²	52	43.7 Å²	43.7	23%	0.228	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-41.8	172.6	-70.3	-12.6	0	0	0	111.9	T172 E179 R180 F703 D704	T172-F176 HydrophobicContact CG2-CD2 4.27Å; T172-F176 HydrophobicContact CG2-CE1 3.98Å; T172-F176 HydrophobicContact CG2-CE2 3.69Å; T172-F176 HydrophobicContact CG2-CZ 3.53Å; T172-F176 VanDerWaalsContact O-CG 3.32Å; T172-F176 WeakPolarHBondContact O-CG 3.14Å; T172-F176 PolarHBondContact O-N 3.41Å; F176-E179 PolarHBondContact O-N 3.26Å; F176-R180 VanDerWaalsContact CE1-NH2 3.3Å; F176-R180 WeakPolarHBondContact O-CA 3.46Å; F176-R180 WeakPolarHBondContact O-CB 3.19Å; F176-R180 VanDerWaalsContact O-CG 3.3Å; F176-R180 WeakPolarHBondContact O-CG 3.38Å; F176-R180 PolarHBondContact O-N 3.48Å; F176-F703 HydrophobicContact CE2-CE1 4.05Å; F176-F703 HydrophobicContact CE2-CZ 4.44Å; F176-F703 HydrophobicContact CZ-CE1 4.43Å; F176-D704 HydrophobicContact CE2-CB 4.07Å; F176-D704 WeakPolarHBondContact CE2-OD2 2.89Å; F176-D704 HydrophobicContact CZ-CB 4.43Å; F176-D704 VanDerWaalsContact CZ-OD2 3.28Å; F176-D704 WeakPolarHBondContact CZ-OD2 3.24Å
177	K	97.4	Very high	97.2	Very high	42 Å²	42	47.6 Å²	47.6	18%	0.183	24%	0.243	C	C	.	.	I	π-helix	trans	-63.1	-44.6	176.7	-173.4	159.3	-168	164.3	0	111.8	E173 D174 F175 E181 M182 P305 D306 W309	E173-K177 WeakPolarHBondContact O-CB 3.23Å; E173-K177 PolarHBondContact O-N 2.96Å; D174-K177 PolarHBondContact O-N 3.37Å; F175-K177 VanDerWaalsContact C-N 3.31Å; F175-K177 PolarHBondContact O-N 2.93Å; K177-E181 WeakPolarHBondContact CE-OE2 3.28Å; K177-E181 HydrophobicContact CG-CB 4.36Å; K177-E181 WeakPolarHBondContact O-CA 3.42Å; K177-E181 WeakPolarHBondContact O-CB 3.23Å; K177-E181 PolarHBondContact O-N 3.24Å; K177-M182 HydrophobicContact CG-SD 4.5Å; K177-M182 PolarHBondContact O-N 3.37Å; K177-P305 HydrophobicContact CD-CG 4.25Å; K177-D306 IonicContact NZ-OD2 2.76Å; K177-D306 PolarHBondContact NZ-OD2 2.76Å; K177-W309 HydrophobicContact CB-CZ2 4.39Å; K177-W309 HydrophobicContact CD-CZ2 4.36Å
178	L	97.8	Very high	97.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.254	C	S	.	.	I	π-helix	trans	-59.1	-50.1	177	-71.3	168.1	0	0	0	112.1	V167 D174 F175 M182 G183 I184 W309 I319	V167-L178 HydrophobicContact CB-CD1 3.96Å; V167-L178 HydrophobicContact CG1-CD1 3.6Å; D174-L178 WeakPolarHBondContact O-CG 3.16Å; D174-L178 PolarHBondContact O-N 2.8Å; D174-L178 VanDerWaalsContact O-N 3.09Å; F175-L178 HydrophobicContact CD1-CD1 4.36Å; F175-L178 PolarHBondContact O-N 2.95Å; L178-M182 HydrophobicContact CD2-SD 4.06Å; L178-M182 CarbonylContact O-C 3.36Å; L178-M182 PolarHBondContact O-N 2.82Å; L178-G183 PolarHBondContact O-N 3.09Å; L178-G183 VanDerWaalsContact O-N 3.07Å; L178-I184 HydrophobicContact CB-CB 4.24Å; L178-I184 HydrophobicContact CD2-CB 4.08Å; L178-I184 HydrophobicContact CD2-CG1 4.27Å; L178-I184 HydrophobicContact CD2-CG2 4.18Å; L178-I184 PolarHBondContact O-N 3.03Å; L178-W309 HydrophobicContact CD1-CH2 4.02Å; L178-W309 HydrophobicContact CD1-CZ3 4.49Å; L178-W309 HydrophobicContact CD2-CH2 3.9Å; L178-W309 HydrophobicContact CD2-CZ3 4.05Å; L178-W309 HydrophobicContact CG-CH2 3.75Å; L178-W309 HydrophobicContact CG-CZ3 4.36Å; L178-I319 HydrophobicContact CD2-CG2 3.49Å; L178-I319 VanDerWaalsContact CD2-CG2 3.49Å
179	E	96.3	Very high	97.2	Very high	136 Å²	136	50.8 Å²	50.8	64%	0.636	26%	0.263	S	S	*	.	I	π-helix	trans	-73.8	-50	-175.8	-176.7	179.4	-149.6	0	0	112.3	F175 F176	F175-E179 WeakPolarHBondContact O-CB 3.34Å; F175-E179 PolarHBondContact O-N 3.21Å; F176-E179 PolarHBondContact O-N 3.26Å
180	R	96.1	Very high	97.2	Very high	119 Å²	119	50 Å²	50	45%	0.449	26%	0.26	S	S	.	.	I	π-helix	trans	-87.5	-29.6	-167.9	-55	177	-176.2	179.3	-0.2	113.6	F176 D704 S707	F176-R180 VanDerWaalsContact CE1-NH2 3.3Å; F176-R180 WeakPolarHBondContact O-CA 3.46Å; F176-R180 WeakPolarHBondContact O-CB 3.19Å; F176-R180 VanDerWaalsContact O-CG 3.3Å; F176-R180 WeakPolarHBondContact O-CG 3.38Å; F176-R180 PolarHBondContact O-N 3.48Å; R180-D704 IonicContact CZ-OD1 3.27Å; R180-D704 IonicContact CZ-OD2 2.8Å; R180-D704 IonicContact NH1-OD1 3.5Å; R180-D704 PolarHBondContact NH1-OD1 2.88Å; R180-D704 IonicContact NH1-OD2 3.07Å; R180-D704 PolarHBondContact NH1-OD2 3.24Å; R180-D704 IonicContact NH2-OD1 3.54Å; R180-D704 IonicContact NH2-OD2 2.75Å; R180-D704 PolarHBondContact NH2-OD2 3.25Å; R180-S707 PolarHBondContact NH1-OG 3.09Å; R180-S707 VanDerWaalsContact NH1-OG 3.1Å
181	E	96.5	Very high	97.2	Very high	141 Å²	141	50 Å²	50	66%	0.659	26%	0.26	S	S	*	.	I	π-helix	trans	-110.1	-36.2	-175.2	-59.5	175.6	-152.3	0	0	112.7	K177	K177-E181 WeakPolarHBondContact CE-OE2 3.28Å; K177-E181 HydrophobicContact CG-CB 4.36Å; K177-E181 WeakPolarHBondContact O-CA 3.42Å; K177-E181 WeakPolarHBondContact O-CB 3.23Å; K177-E181 PolarHBondContact O-N 3.24Å
182	M	96.9	Very high	97.3	Very high	47 Å²	47	47.7 Å²	47.7	23%	0.232	25%	0.251	C	S	.	.	S	Bend	trans	-100.6	-11.7	-174.1	-56.2	-174.3	65.3	0	0	114.1	K177 L178 I184 P302 P305 I319	K177-M182 HydrophobicContact CG-SD 4.5Å; K177-M182 PolarHBondContact O-N 3.37Å; L178-M182 HydrophobicContact CD2-SD 4.06Å; L178-M182 CarbonylContact O-C 3.36Å; L178-M182 PolarHBondContact O-N 2.82Å; M182-I184 HydrophobicContact CB-CG1 3.89Å; M182-I184 PolarHBondContact O-N 2.91Å; M182-P302 HydrophobicContact CE-CB 4.42Å; M182-P302 HydrophobicContact CE-CG 4.01Å; M182-P305 HydrophobicContact CE-CB 4.31Å; M182-P305 HydrophobicContact CE-CG 4.42Å; M182-P305 HydrophobicContact SD-CB 3.91Å; M182-P305 HydrophobicContact SD-CG 3.81Å; M182-I319 HydrophobicContact CE-CB 4.39Å; M182-I319 HydrophobicContact CE-CG1 3.65Å
183	G	96.6	Very high	97.5	Very high	66 Å²	66	47 Å²	47	68%	0.68	25%	0.247	S	C	*	.			trans	64.6	23.9	-176.6	0	0	0	0	0	113.9	L178	L178-G183 PolarHBondContact O-N 3.09Å; L178-G183 VanDerWaalsContact O-N 3.07Å
184	I	97.6	Very high	97.6	Very high	19 Å²	19	43 Å²	43	10%	0.097	23%	0.228	C	C	.	.			trans	-89.4	119.9	-180	-61.7	-64.4	0	0	0	109.6	V165 L178 M182 P302 I319	V165-I184 HydrophobicContact CG1-CG2 3.93Å; L178-I184 HydrophobicContact CB-CB 4.24Å; L178-I184 HydrophobicContact CD2-CB 4.08Å; L178-I184 HydrophobicContact CD2-CG1 4.27Å; L178-I184 HydrophobicContact CD2-CG2 4.18Å; L178-I184 PolarHBondContact O-N 3.03Å; M182-I184 HydrophobicContact CB-CG1 3.89Å; M182-I184 PolarHBondContact O-N 2.91Å; I184-P302 HydrophobicContact CD1-CG 4.08Å; I184-I319 HydrophobicContact CG1-CG2 4.13Å; I184-I319 HydrophobicContact CG2-CG2 4.37Å
185	N	96.3	Very high	97.6	Very high	105 Å²	105	43 Å²	43	56%	0.561	23%	0.228	S	C	*	.			trans	-98	115.1	177	-171.9	-10	0	0	0	111.3	T187	N185-T187 VanDerWaalsContact C-N 3.29Å; N185-T187 PolarHBondContact O-N 2.73Å; N185-T187 WeakPolarHBondContact OD1-CB 3.37Å; N185-T187 PolarHBondContact OD1-N 3.09Å; N185-T187 PolarHBondContact OD1-OG1 3.34Å
186	C	98.2	Very high	97.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.034	23%	0.229	C	C	.	.			trans	-80.7	-4.3	177.8	-64	0	0	0	0	113.9	G188 K189 V191 A210 A212	C186-G188 PolarHBondContact O-N 3.16Å; C186-K189 WeakPolarHBondContact O-CB 3.41Å; C186-K189 PolarHBondContact O-N 2.98Å; C186-K189 VanDerWaalsContact O-N 3.11Å; C186-V191 HydrophobicContact CB-CG1 4.2Å; C186-A210 CarbonylContact C-O 3.59Å; C186-A210 HydrophobicContact CB-CB 4.06Å; C186-A210 WeakPolarHBondContact CB-O 3.13Å; C186-A212 WeakPolarHBondContact O-CA 3.5Å
187	T	98.4	Very high	97.3	Very high	82 Å²	82	44.9 Å²	44.9	50%	0.503	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	125.1	-179.9	-56.4	0	0	0	0	111	N185 K189 A210 G211	N185-T187 VanDerWaalsContact C-N 3.29Å; N185-T187 PolarHBondContact O-N 2.73Å; N185-T187 WeakPolarHBondContact OD1-CB 3.37Å; N185-T187 PolarHBondContact OD1-N 3.09Å; N185-T187 PolarHBondContact OD1-OG1 3.34Å; T187-K189 VanDerWaalsContact C-N 3.27Å; T187-K189 PolarHBondContact O-N 3.49Å; T187-K189 PolarHBondContact O-NZ 3.41Å; T187-A210 PolarHBondContact N-O 3.08Å; T187-G211 VanDerWaalsContact CA-O 3.31Å; T187-G211 WeakPolarHBondContact CA-O 3.29Å
188	G	97.9	Very high	97.1	Very high	24 Å²	24	43.6 Å²	43.6	25%	0.247	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	18.1	179.2	0	0	0	0	0	114.2	A162 C186 G211	A162-G188 WeakPolarHBondContact CB-O 3.44Å; C186-G188 PolarHBondContact O-N 3.16Å; G188-G211 PolarHBondContact N-O 2.71Å
189	K	98.5	Very high	97	Very high	43 Å²	43	44.1 Å²	44.1	19%	0.187	24%	0.236	C	C	.	.			trans	-107.9	157.7	-179.8	-55.1	-66.6	171.7	-68.4	0	111.3	D163 V165 C186 T187 A212 Q213 P321	D163-K189 HydrophobicContact CB-CD 3.86Å; V165-K189 HydrophobicContact CG2-CB 4.04Å; V165-K189 HydrophobicContact CG2-CD 4.45Å; V165-K189 HydrophobicContact CG2-CG 4.01Å; C186-K189 WeakPolarHBondContact O-CB 3.41Å; C186-K189 PolarHBondContact O-N 2.98Å; C186-K189 VanDerWaalsContact O-N 3.11Å; T187-K189 VanDerWaalsContact C-N 3.27Å; T187-K189 PolarHBondContact O-N 3.49Å; T187-K189 PolarHBondContact O-NZ 3.41Å; K189-A212 WeakPolarHBondContact O-CA 3.49Å; K189-Q213 PolarHBondContact O-N 2.74Å; K189-P321 HydrophobicContact CD-CB 4.27Å
190	I	98.8	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.4	158.9	-69	158.4	0	0	0	106.7	L160 A162 D163 L164 V165 G214 I216 V332 M334	L160-I190 HydrophobicContact CD1-CD1 3.65Å; L160-I190 HydrophobicContact CD1-CG1 3.39Å; A162-I190 HydrophobicContact CB-CD1 4.1Å; A162-I190 HydrophobicContact CB-CG1 3.99Å; D163-I190 PolarHBondContact O-N 3.31Å; D163-I190 VanDerWaalsContact O-N 3.08Å; L164-I190 CarbonylContact C-O 3.59Å; L164-I190 WeakPolarHBondContact CA-O 3.39Å; L164-I190 HydrophobicContact CD1-CB 4.18Å; L164-I190 HydrophobicContact CD1-CG2 3.68Å; V165-I190 PolarHBondContact N-O 3.08Å; I190-G214 WeakPolarHBondContact CA-O 3.38Å; I190-I216 HydrophobicContact CG2-CD1 3.77Å; I190-I216 HydrophobicContact CG2-CG1 3.89Å; I190-V332 HydrophobicContact CD1-CB 4.02Å; I190-V332 HydrophobicContact CD1-CG1 4Å; I190-V332 WeakPolarHBondContact CD1-O 3.42Å; I190-M334 HydrophobicContact CD1-CG 3.93Å; I190-M334 HydrophobicContact CD1-SD 4.43Å; I190-M334 HydrophobicContact CG1-CG 4.33Å; I190-M334 HydrophobicContact CG1-SD 4.18Å; I190-M334 HydrophobicContact CG2-CG 4.41Å; I190-M334 HydrophobicContact CG2-SD 3.9Å
191	V	98.9	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.4	173.9	-61.6	0	0	0	0	110.3	V165 V167 C186 A207 A212 G214 I215 I216	V165-V191 HydrophobicContact CB-CG1 4.35Å; V165-V191 CarbonylContact O-C 3.55Å; V165-V191 VanDerWaalsContact O-CA 3.27Å; V165-V191 WeakPolarHBondContact O-CA 3.5Å; V167-V191 HydrophobicContact CG1-CB 3.79Å; V167-V191 HydrophobicContact CG1-CG1 3.76Å; V167-V191 HydrophobicContact CG2-CB 4.03Å; V167-V191 HydrophobicContact CG2-CG2 4.37Å; C186-V191 HydrophobicContact CB-CG1 4.2Å; V191-A207 HydrophobicContact CG2-CB 3.79Å; V191-A212 HydrophobicContact CG1-CB 3.86Å; V191-A212 HydrophobicContact CG2-CB 3.96Å; V191-G214 PolarHBondContact N-O 2.82Å; V191-I215 HydrophobicContact CG2-CB 3.73Å; V191-I215 HydrophobicContact CG2-CD1 4.09Å; V191-I215 HydrophobicContact CG2-CG1 3.85Å; V191-I215 CarbonylContact O-C 3.52Å; V191-I215 VanDerWaalsContact O-CA 3.27Å; V191-I215 WeakPolarHBondContact O-CA 3.44Å; V191-I216 PolarHBondContact O-N 3.29Å
192	I	98.9	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.7	171.4	-179.1	167.1	0	0	0	109.6	L164 V165 Y166 V167 I216 Y218 I287 L295 L296	L164-I192 HydrophobicContact CD1-CB 3.95Å; L164-I192 HydrophobicContact CD1-CG2 3.83Å; L164-I192 HydrophobicContact CD2-CG2 3.86Å; L164-I192 HydrophobicContact CG-CB 4.42Å; L164-I192 HydrophobicContact CG-CG2 3.76Å; V165-I192 PolarHBondContact O-N 2.81Å; Y166-I192 HydrophobicContact CD2-CG2 4.22Å; Y166-I192 WeakPolarHBondContact CD2-O 3.48Å; V167-I192 PolarHBondContact N-O 3.41Å; I192-I216 WeakPolarHBondContact CA-O 3.39Å; I192-I216 HydrophobicContact CB-CB 4.11Å; I192-I216 HydrophobicContact CD1-CB 4.42Å; I192-I216 HydrophobicContact CD1-CG2 4Å; I192-I216 HydrophobicContact CG1-CB 4.06Å; I192-I216 HydrophobicContact CG1-CG2 4.04Å; I192-Y218 HydrophobicContact CD1-CD1 3.96Å; I192-Y218 HydrophobicContact CD1-CE1 4.33Å; I192-Y218 HydrophobicContact CG1-CD1 3.73Å; I192-Y218 HydrophobicContact CG1-CE1 4.03Å; I192-I287 HydrophobicContact CD1-CD1 4.46Å; I192-L295 HydrophobicContact CD1-CD1 4.29Å; I192-L296 HydrophobicContact CD1-CD2 4.23Å; I192-L296 HydrophobicContact CD1-CG 4.3Å; I192-L296 HydrophobicContact CG2-CD2 3.89Å
193	A	98.9	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.1	-178.1	0	0	0	0	0	110.7	V167 N168 I215 I216 L217 Y218	V167-A193 HydrophobicContact CG2-CB 3.64Å; N168-A193 CarbonylContact O-C 3.36Å; N168-A193 WeakPolarHBondContact O-CA 3.49Å; A193-I215 HydrophobicContact CB-CD1 4.33Å; A193-I216 PolarHBondContact N-O 2.76Å; A193-L217 HydrophobicContact CB-CD2 3.99Å; A193-L217 WeakPolarHBondContact O-CA 3.49Å; A193-Y218 WeakPolarHBondContact O-CD1 3.4Å; A193-Y218 PolarHBondContact O-N 2.88Å; A193-Y218 VanDerWaalsContact O-N 3.1Å
194	R	98.2	Very high	97.2	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.2	168.9	44.4	172.8	172.4	-169.5	-6	111.4	Y166 N168 Y169 K203 Y218 D220 D223 S308 K310	Y166-R194 PolarHBondContact OH-NE 3.11Å; N168-R194 WeakPolarHBondContact O-CG 3.48Å; N168-R194 PolarHBondContact O-N 3.37Å; N168-R194 VanDerWaalsContact OD1-CZ 3.26Å; N168-R194 PolarHBondContact OD1-NE 3.01Å; N168-R194 PolarHBondContact OD1-NH2 3.28Å; Y169-R194 HydrophobicContact CD1-CG 3.71Å; Y169-R194 HydrophobicContact CE1-CG 3.86Å; Y169-R194 HydrophobicContact CG-CG 4.18Å; Y169-R194 VanDerWaalsContact CZ-CZ 3.49Å; Y169-R194 VanDerWaalsContact CZ-NE 3.26Å; R194-K203 PolarHBondContact O-NZ 2.88Å; R194-Y218 CarbonylContact C-O 3.58Å; R194-Y218 VanDerWaalsContact CA-O 3.26Å; R194-Y218 WeakPolarHBondContact CA-O 3.35Å; R194-Y218 HydrophobicContact CB-CD1 4.3Å; R194-Y218 HydrophobicContact CB-CE1 3.74Å; R194-Y218 HydrophobicContact CB-CE2 4.39Å; R194-D220 HydrophobicContact CB-CB 3.99Å; R194-D223 IonicContact NH1-OD2 3.19Å; R194-S308 PolarHBondContact NH2-O 2.8Å; R194-K310 PolarHBondContact NH1-O 2.9Å; R194-K310 PolarHBondContact NH2-O 3.11Å
195	Y	98.5	Very high	97.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	12%	0.121	C	C	.	.	S	Bend	trans	-61.4	164.1	167	-81.1	-64.7	0	0	0	111.6	N152 Y169 R200 L217 Y218 Y224 Q244 P286	N152-Y195 PolarHBondContact ND2-OH 3.26Å; Y169-Y195 WeakPolarHBondContact CD1-O 3.24Å; Y169-Y195 WeakPolarHBondContact CE1-O 3.19Å; Y195-R200 HydrophobicContact CD1-CB 4.23Å; Y195-R200 HydrophobicContact CE1-CB 3.7Å; Y195-R200 HydrophobicContact CE1-CG 4.42Å; Y195-L217 HydrophobicContact CD2-CB 4.23Å; Y195-L217 HydrophobicContact CE1-CB 4.02Å; Y195-L217 HydrophobicContact CE1-CD1 3.66Å; Y195-L217 HydrophobicContact CE1-CG 4.39Å; Y195-L217 HydrophobicContact CE2-CB 3.66Å; Y195-Y218 PolarHBondContact N-O 2.87Å; Y195-Y224 WeakPolarHBondContact CB-OH 3.24Å; Y195-Q244 HydrophobicContact CD2-CB 3.98Å; Y195-Q244 HydrophobicContact CD2-CG 4.5Å; Y195-Q244 HydrophobicContact CE2-CB 3.68Å; Y195-Q244 HydrophobicContact CE2-CG 4.25Å; Y195-Q244 PolarHBondContact OH-O 2.53Å; Y195-P286 HydrophobicContact CE2-CB 4.19Å
196	G	94.6	Very high	97.3	Very high	8 Å²	8	18.3 Å²	18.3	8%	0.082	10%	0.098	C	C	.	.			trans	103.9	171.4	-180	0	0	0	0	0	114.5	I198 K203 Y224 S537	G196-I198 PolarHBondContact O-N 3.31Å; G196-K203 PolarHBondContact O-NZ 2.86Å; G196-Y224 PolarHBondContact N-OH 3.02Å; G196-S537 VanDerWaalsContact CA-OG 3.31Å; G196-S537 WeakPolarHBondContact CA-OG 3.46Å
197	K	92.2	Very high	97.4	Very high	99 Å²	99	18.1 Å²	18.1	43%	0.43	10%	0.096	S	C	.	.	S	Bend	trans	61.8	-54.1	-175.5	-47	-54.4	176.7	-152.7	0	116.2	Y169 D223 N688	Y169-K197 HydrophobicContact CD1-CB 4.39Å; Y169-K197 HydrophobicContact CD1-CG 3.63Å; Y169-K197 HydrophobicContact CD2-CG 3.85Å; Y169-K197 HydrophobicContact CE1-CD 4.36Å; Y169-K197 HydrophobicContact CE1-CG 3.72Å; Y169-K197 HydrophobicContact CE2-CG 3.98Å; Y169-K197 HydrophobicContact CG-CB 4.37Å; Y169-K197 HydrophobicContact CG-CG 3.68Å; Y169-K197 VanDerWaalsContact OH-CE 3.29Å; Y169-K197 WeakPolarHBondContact OH-CE 3.43Å; K197-D223 IonicContact NZ-OD1 3.15Å; K197-D223 PolarHBondContact NZ-OD1 2.77Å; K197-N688 PolarHBondContact O-ND2 3.35Å
198	I	93.8	Very high	97.4	Very high	16 Å²	16	17.1 Å²	17.1	8%	0.082	9%	0.087	C	C	.	.	S	Bend	trans	-126	157.8	-178.9	65.2	167.5	0	0	0	111.6	R171 G196 N202 K203 N688	R171-I198 HydrophobicContact CB-CD1 4.17Å; R171-I198 HydrophobicContact CG-CD1 3.78Å; R171-I198 HydrophobicContact CG-CG1 3.96Å; R171-I198 HydrophobicContact CG-CG2 3.93Å; G196-I198 PolarHBondContact O-N 3.31Å; I198-N202 HydrophobicContact CD1-CB 3.96Å; I198-K203 HydrophobicContact CD1-CG 3.87Å; I198-K203 HydrophobicContact CG1-CG 3.84Å; I198-K203 WeakPolarHBondContact O-CE 3.37Å; I198-N688 WeakPolarHBondContact CA-OD1 3.3Å; I198-N688 HydrophobicContact CB-CB 4.2Å; I198-N688 HydrophobicContact CG2-CB 3.76Å
199	F	94.4	Very high	97.3	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.048	11%	0.109	C	C	.	.			trans	-56.7	138.8	173.3	169.9	-122.6	0	0	0	112.2	G201 N202 K203 L249 N688 K689 Y690	F199-G201 VanDerWaalsContact C-N 3.32Å; F199-G201 VanDerWaalsContact CE1-CA 3.48Å; F199-G201 PolarHBondContact O-N 2.87Å; F199-N202 WeakPolarHBondContact O-CB 3.31Å; F199-N202 PolarHBondContact O-N 3.48Å; F199-K203 PolarHBondContact O-N 3.5Å; F199-L249 VanDerWaalsContact CE1-O 3.23Å; F199-L249 WeakPolarHBondContact CE1-O 3.47Å; F199-N688 PolarHBondContact N-OD1 3.13Å; F199-K689 HydrophobicContact CB-CB 3.97Å; F199-K689 HydrophobicContact CD1-CB 3.86Å; F199-K689 HydrophobicContact CD1-CD 4.22Å; F199-K689 HydrophobicContact CE1-CD 4.3Å; F199-K689 HydrophobicContact CG-CB 4.16Å; F199-Y690 VanDerWaalsContact CA-CE2 3.42Å; F199-Y690 HydrophobicContact CB-CD1 4.49Å; F199-Y690 HydrophobicContact CB-CD2 3.8Å; F199-Y690 HydrophobicContact CB-CE1 4.36Å; F199-Y690 HydrophobicContact CB-CE2 3.65Å; F199-Y690 HydrophobicContact CB-CG 4.24Å; F199-Y690 HydrophobicContact CD2-CE1 4.06Å; F199-Y690 AromaticContact CD2-CE2 3.97Å; F199-Y690 HydrophobicContact CD2-CE2 3.97Å; F199-Y690 AromaticContact CD2-CZ 3.52Å; F199-Y690 WeakPolarHBondContact CD2-OH 3.47Å; F199-Y690 HydrophobicContact CG-CE1 4.5Å; F199-Y690 HydrophobicContact CG-CE2 4.3Å
200	R	97.4	Very high	97.3	Very high	6 Å²	6	21.6 Å²	21.6	2%	0.023	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-35.5	-175.4	67.5	-175	75.2	81	-4.2	113.9	Y195 N202 K203 V204 L217 N247 V248 Y542	Y195-R200 HydrophobicContact CD1-CB 4.23Å; Y195-R200 HydrophobicContact CE1-CB 3.7Å; Y195-R200 HydrophobicContact CE1-CG 4.42Å; R200-N202 VanDerWaalsContact C-N 3.27Å; R200-N202 PolarHBondContact O-N 3.07Å; R200-K203 WeakPolarHBondContact O-CB 3.36Å; R200-K203 PolarHBondContact O-N 3.37Å; R200-K203 VanDerWaalsContact O-N 3.08Å; R200-V204 WeakPolarHBondContact O-CG2 3.38Å; R200-V204 PolarHBondContact O-N 2.93Å; R200-V204 VanDerWaalsContact O-N 3.14Å; R200-L217 HydrophobicContact CB-CD1 4.12Å; R200-N247 VanDerWaalsContact CD-O 3.23Å; R200-N247 WeakPolarHBondContact CD-O 3.3Å; R200-N247 WeakPolarHBondContact CG-O 3.4Å; R200-V248 HydrophobicContact CB-CG1 4.47Å; R200-V248 HydrophobicContact CG-CG1 3.96Å; R200-Y542 VanDerWaalsContact NH2-CE1 3.32Å
201	G	96.7	Very high	97.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-31	173.4	0	0	0	0	0	113.3	F199 V204 K205	F199-G201 VanDerWaalsContact C-N 3.32Å; F199-G201 VanDerWaalsContact CE1-CA 3.48Å; F199-G201 PolarHBondContact O-N 2.87Å; G201-V204 PolarHBondContact O-N 3.34Å; G201-K205 WeakPolarHBondContact O-CB 3.17Å; G201-K205 PolarHBondContact O-N 3.39Å
202	N	96.6	Very high	97.3	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-68.4	-37.5	172.4	-69.1	105.8	0	0	0	111.6	I198 F199 R200 V204 K205 N206 S686 K689	I198-N202 HydrophobicContact CD1-CB 3.96Å; F199-N202 WeakPolarHBondContact O-CB 3.31Å; F199-N202 PolarHBondContact O-N 3.48Å; R200-N202 VanDerWaalsContact C-N 3.27Å; R200-N202 PolarHBondContact O-N 3.07Å; N202-V204 VanDerWaalsContact C-N 3.33Å; N202-V204 PolarHBondContact O-N 3.13Å; N202-K205 PolarHBondContact O-N 2.93Å; N202-N206 WeakPolarHBondContact O-CB 3.31Å; N202-N206 PolarHBondContact O-N 2.88Å; N202-N206 PolarHBondContact O-ND2 3Å; N202-N206 PolarHBondContact O-OD1 2.84Å; N202-S686 PolarHBondContact ND2-O 3.14Å; N202-K689 PolarHBondContact OD1-N 2.75Å; N202-K689 VanDerWaalsContact OD1-N 3.09Å
203	K	98.6	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-46.4	174.9	-53.3	176.2	-175.5	-88.6	0	110.9	Y169 R194 G196 I198 F199 R200 N206 A207 I215 L217	Y169-K203 WeakPolarHBondContact O-CD 3.4Å; Y169-K203 WeakPolarHBondContact O-CG 3.42Å; Y169-K203 PolarHBondContact O-NZ 3.07Å; R194-K203 PolarHBondContact O-NZ 2.88Å; G196-K203 PolarHBondContact O-NZ 2.86Å; I198-K203 HydrophobicContact CD1-CG 3.87Å; I198-K203 HydrophobicContact CG1-CG 3.84Å; I198-K203 WeakPolarHBondContact O-CE 3.37Å; F199-K203 PolarHBondContact O-N 3.5Å; R200-K203 WeakPolarHBondContact O-CB 3.36Å; R200-K203 PolarHBondContact O-N 3.37Å; R200-K203 VanDerWaalsContact O-N 3.08Å; K203-N206 PolarHBondContact O-N 3.47Å; K203-A207 WeakPolarHBondContact O-CB 3.2Å; K203-A207 PolarHBondContact O-N 2.98Å; K203-I215 HydrophobicContact CB-CD1 4.29Å; K203-L217 HydrophobicContact CB-CD2 4.49Å; K203-L217 HydrophobicContact CD-CD2 3.98Å
204	V	98.6	Very high	97.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-45.3	178.4	-179.5	0	0	0	0	111.3	R200 G201 N202 N206 A207 I208 I215 V248 P280 I282 V284	R200-V204 WeakPolarHBondContact O-CG2 3.38Å; R200-V204 PolarHBondContact O-N 2.93Å; R200-V204 VanDerWaalsContact O-N 3.14Å; G201-V204 PolarHBondContact O-N 3.34Å; N202-V204 VanDerWaalsContact C-N 3.33Å; N202-V204 PolarHBondContact O-N 3.13Å; V204-N206 VanDerWaalsContact C-N 3.3Å; V204-N206 PolarHBondContact O-N 3.2Å; V204-A207 PolarHBondContact O-N 2.8Å; V204-I208 HydrophobicContact CG1-CD1 4.05Å; V204-I208 WeakPolarHBondContact O-CG1 3.35Å; V204-I208 PolarHBondContact O-N 2.88Å; V204-I215 HydrophobicContact CB-CG2 4.47Å; V204-I215 HydrophobicContact CG1-CG2 4.28Å; V204-I215 HydrophobicContact CG2-CD1 4.5Å; V204-I215 HydrophobicContact CG2-CG2 3.94Å; V204-V248 HydrophobicContact CG2-CB 3.94Å; V204-V248 HydrophobicContact CG2-CG1 3.82Å; V204-P280 HydrophobicContact CG1-CB 3.76Å; V204-I282 HydrophobicContact CG1-CD1 4.49Å; V204-I282 HydrophobicContact CG1-CG1 4.3Å; V204-V284 HydrophobicContact CB-CG2 4.47Å; V204-V284 HydrophobicContact CG1-CG2 3.74Å; V204-V284 HydrophobicContact CG2-CB 4.49Å; V204-V284 HydrophobicContact CG2-CG1 3.88Å; V204-V284 HydrophobicContact CG2-CG2 3.82Å
205	K	97.8	Very high	97.3	Very high	68 Å²	68	27.7 Å²	27.7	30%	0.296	15%	0.148	S	C	.	.	H	α-helix	trans	-53.9	-47.9	173.4	178.1	-163.5	175.4	-173.6	0	111.2	G201 N202 I208 L209	G201-K205 WeakPolarHBondContact O-CB 3.17Å; G201-K205 PolarHBondContact O-N 3.39Å; N202-K205 PolarHBondContact O-N 2.93Å; K205-I208 PolarHBondContact O-N 2.87Å; K205-L209 HydrophobicContact CG-CD1 4.31Å; K205-L209 WeakPolarHBondContact O-CG 3.1Å; K205-L209 PolarHBondContact O-N 3.49Å
206	N	98.3	Very high	97.3	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	15%	0.147	C	C	.	.	H	α-helix	trans	-66.5	-40.6	-178.6	-64.7	-15.4	0	0	0	111.6	G170 T172 F175 N202 K203 V204 I208 L209 A210	G170-N206 PolarHBondContact O-ND2 2.93Å; T172-N206 PolarHBondContact N-ND2 3.39Å; F175-N206 HydrophobicContact CD2-CB 3.58Å; F175-N206 HydrophobicContact CE2-CB 3.51Å; N202-N206 WeakPolarHBondContact O-CB 3.31Å; N202-N206 PolarHBondContact O-N 2.88Å; N202-N206 PolarHBondContact O-ND2 3Å; N202-N206 PolarHBondContact O-OD1 2.84Å; K203-N206 PolarHBondContact O-N 3.47Å; V204-N206 VanDerWaalsContact C-N 3.3Å; V204-N206 PolarHBondContact O-N 3.2Å; N206-I208 PolarHBondContact O-N 3.15Å; N206-L209 PolarHBondContact O-N 2.84Å; N206-A210 WeakPolarHBondContact O-CB 3.36Å; N206-A210 PolarHBondContact O-N 3.25Å
207	A	98.6	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-42.3	174.7	0	0	0	0	0	112.5	F175 V191 K203 V204 A210 G211 A212 I215 I282	F175-A207 HydrophobicContact CZ-CB 3.92Å; V191-A207 HydrophobicContact CG2-CB 3.79Å; K203-A207 WeakPolarHBondContact O-CB 3.2Å; K203-A207 PolarHBondContact O-N 2.98Å; V204-A207 PolarHBondContact O-N 2.8Å; A207-A210 CarbonylContact O-C 3.55Å; A207-A210 PolarHBondContact O-N 2.87Å; A207-G211 PolarHBondContact O-N 3.15Å; A207-A212 HydrophobicContact CB-CB 4.08Å; A207-A212 VanDerWaalsContact O-CB 3.27Å; A207-A212 WeakPolarHBondContact O-CB 3.43Å; A207-A212 PolarHBondContact O-N 3.4Å; A207-I215 HydrophobicContact CB-CB 4.42Å; A207-I215 HydrophobicContact CB-CD1 4.01Å; A207-I282 HydrophobicContact CB-CD1 4.3Å
208	I	98.4	Very high	97.8	Very high	62 Å²	62	22.5 Å²	22.5	32%	0.318	12%	0.123	S	C	.	.	H	α-helix	trans	-60.4	-45.8	174.1	-68.2	167.2	0	0	0	110.6	V204 K205 N206 A210 G211 P280 I282	V204-I208 HydrophobicContact CG1-CD1 4.05Å; V204-I208 WeakPolarHBondContact O-CG1 3.35Å; V204-I208 PolarHBondContact O-N 2.88Å; K205-I208 PolarHBondContact O-N 2.87Å; N206-I208 PolarHBondContact O-N 3.15Å; I208-A210 VanDerWaalsContact C-N 3.25Å; I208-A210 PolarHBondContact O-N 3.2Å; I208-G211 PolarHBondContact O-N 3.02Å; I208-P280 HydrophobicContact CD1-CB 4.26Å; I208-I282 HydrophobicContact CD1-CD1 4.49Å; I208-I282 HydrophobicContact CD1-CG1 4.14Å; I208-I282 HydrophobicContact CG1-CD1 3.6Å; I208-I282 HydrophobicContact CG1-CG1 3.69Å; I208-I282 HydrophobicContact CG1-CG2 4.17Å
209	L	97.6	Very high	98	Very high	132 Å²	132	21.8 Å²	21.8	69%	0.691	12%	0.119	S	C	*	.	H	α-helix	trans	-63.7	-31.7	178.3	-70.3	172.9	0	0	0	112.5	K205 N206 G211	K205-L209 HydrophobicContact CG-CD1 4.31Å; K205-L209 WeakPolarHBondContact O-CG 3.1Å; K205-L209 PolarHBondContact O-N 3.49Å; N206-L209 PolarHBondContact O-N 2.84Å; L209-G211 PolarHBondContact O-N 3.48Å
210	A	98.1	Very high	98.2	Very high	29 Å²	29	21.2 Å²	21.2	24%	0.24	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	2.4	174.9	0	0	0	0	0	114	F175 C186 T187 N206 A207 I208	F175-A210 HydrophobicContact CD1-CB 3.37Å; F175-A210 HydrophobicContact CE1-CB 3.59Å; F175-A210 HydrophobicContact CG-CB 4.13Å; F175-A210 HydrophobicContact CZ-CB 4.49Å; C186-A210 CarbonylContact C-O 3.59Å; C186-A210 HydrophobicContact CB-CB 4.06Å; C186-A210 WeakPolarHBondContact CB-O 3.13Å; T187-A210 PolarHBondContact N-O 3.08Å; N206-A210 WeakPolarHBondContact O-CB 3.36Å; N206-A210 PolarHBondContact O-N 3.25Å; A207-A210 CarbonylContact O-C 3.55Å; A207-A210 PolarHBondContact O-N 2.87Å; I208-A210 VanDerWaalsContact C-N 3.25Å; I208-A210 PolarHBondContact O-N 3.2Å
211	G	98.1	Very high	98.2	Very high	27 Å²	27	21.9 Å²	21.9	28%	0.278	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	12.2	177.4	0	0	0	0	0	115.3	T187 G188 A207 I208 L209	T187-G211 VanDerWaalsContact CA-O 3.31Å; T187-G211 WeakPolarHBondContact CA-O 3.29Å; G188-G211 PolarHBondContact N-O 2.71Å; A207-G211 PolarHBondContact O-N 3.15Å; I208-G211 PolarHBondContact O-N 3.02Å; L209-G211 PolarHBondContact O-N 3.48Å
212	A	98.5	Very high	98.2	Very high	6 Å²	6	23.4 Å²	23.4	5%	0.05	14%	0.135	C	C	.	.			trans	-62.5	147.1	175.5	0	0	0	0	0	111	C186 K189 V191 A207	C186-A212 WeakPolarHBondContact O-CA 3.5Å; K189-A212 WeakPolarHBondContact O-CA 3.49Å; V191-A212 HydrophobicContact CG1-CB 3.86Å; V191-A212 HydrophobicContact CG2-CB 3.96Å; A207-A212 HydrophobicContact CB-CB 4.08Å; A207-A212 VanDerWaalsContact O-CB 3.27Å; A207-A212 WeakPolarHBondContact O-CB 3.43Å; A207-A212 PolarHBondContact O-N 3.4Å
213	Q	98.1	Very high	98.2	Very high	97 Å²	97	23.3 Å²	23.3	45%	0.453	13%	0.134	S	C	.	.	S	Bend	trans	-97.1	-17.5	177.5	-76.5	-177	-22.9	0	0	113.5	L160 K189 I282 P283	L160-Q213 HydrophobicContact CD1-CB 3.97Å; L160-Q213 VanDerWaalsContact CD2-O 3.22Å; L160-Q213 WeakPolarHBondContact CD2-O 3.3Å; K189-Q213 PolarHBondContact O-N 2.74Å; Q213-I282 WeakPolarHBondContact O-CB 3.41Å; Q213-P283 WeakPolarHBondContact O-CD 3.15Å
214	G	98.6	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	157.9	175.7	0	0	0	0	0	110.6	I190 V191 P283	I190-G214 WeakPolarHBondContact CA-O 3.38Å; V191-G214 PolarHBondContact N-O 2.82Å; G214-P283 WeakPolarHBondContact CA-O 3.19Å
215	I	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.6	178.6	174.8	169.1	0	0	0	112.1	V191 A193 K203 V204 A207 L217 I282 P283 V284 H285 M334	V191-I215 HydrophobicContact CG2-CB 3.73Å; V191-I215 HydrophobicContact CG2-CD1 4.09Å; V191-I215 HydrophobicContact CG2-CG1 3.85Å; V191-I215 CarbonylContact O-C 3.52Å; V191-I215 VanDerWaalsContact O-CA 3.27Å; V191-I215 WeakPolarHBondContact O-CA 3.44Å; A193-I215 HydrophobicContact CB-CD1 4.33Å; K203-I215 HydrophobicContact CB-CD1 4.29Å; V204-I215 HydrophobicContact CB-CG2 4.47Å; V204-I215 HydrophobicContact CG1-CG2 4.28Å; V204-I215 HydrophobicContact CG2-CD1 4.5Å; V204-I215 HydrophobicContact CG2-CG2 3.94Å; A207-I215 HydrophobicContact CB-CB 4.42Å; A207-I215 HydrophobicContact CB-CD1 4.01Å; I215-L217 HydrophobicContact CD1-CD2 3.71Å; I215-L217 HydrophobicContact CG1-CD2 3.86Å; I215-L217 HydrophobicContact CG1-CG 4.29Å; I215-I282 HydrophobicContact CG2-CD1 3.87Å; I215-I282 HydrophobicContact CG2-CG1 4.42Å; I215-P283 PolarHBondContact N-O 2.66Å; I215-V284 HydrophobicContact CG2-CB 4.11Å; I215-V284 HydrophobicContact CG2-CG1 3.85Å; I215-V284 HydrophobicContact CG2-CG2 3.61Å; I215-V284 VanDerWaalsContact O-CA 3.3Å; I215-V284 WeakPolarHBondContact O-CA 3.37Å; I215-H285 PolarHBondContact O-N 2.91Å; I215-M334 WeakPolarHBondContact O-CE 3.29Å
216	I	98.9	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.5	172.9	-57.1	173.2	0	0	0	107.8	I118 L164 I190 V191 I192 A193 I287 L295 V332 M334	I118-I216 HydrophobicContact CD1-CB 4.19Å; I118-I216 HydrophobicContact CD1-CD1 3.72Å; I118-I216 HydrophobicContact CD1-CG1 3.57Å; I118-I216 HydrophobicContact CD1-CG2 3.68Å; I118-I216 HydrophobicContact CG1-CD1 4.21Å; I118-I216 HydrophobicContact CG1-CG1 4.3Å; I118-I216 HydrophobicContact CG2-CD1 3.9Å; L164-I216 HydrophobicContact CD1-CD1 4.08Å; I190-I216 HydrophobicContact CG2-CD1 3.77Å; I190-I216 HydrophobicContact CG2-CG1 3.89Å; V191-I216 PolarHBondContact O-N 3.29Å; I192-I216 WeakPolarHBondContact CA-O 3.39Å; I192-I216 HydrophobicContact CB-CB 4.11Å; I192-I216 HydrophobicContact CD1-CB 4.42Å; I192-I216 HydrophobicContact CD1-CG2 4Å; I192-I216 HydrophobicContact CG1-CB 4.06Å; I192-I216 HydrophobicContact CG1-CG2 4.04Å; A193-I216 PolarHBondContact N-O 2.76Å; I216-I287 HydrophobicContact CG2-CD1 3.61Å; I216-I287 HydrophobicContact CG2-CG1 3.86Å; I216-I287 HydrophobicContact CG2-CG2 4.38Å; I216-L295 HydrophobicContact CD1-CD1 4.08Å; I216-V332 HydrophobicContact CD1-CG1 3.96Å; I216-M334 HydrophobicContact CG1-CE 4.12Å; I216-M334 HydrophobicContact CG1-SD 4.12Å
217	L	98.9	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135	175.5	-62.2	179.3	0	0	0	110.1	A193 Y195 R200 K203 I215 V248 V284 H285 P286 I287	A193-L217 HydrophobicContact CB-CD2 3.99Å; A193-L217 WeakPolarHBondContact O-CA 3.49Å; Y195-L217 HydrophobicContact CD2-CB 4.23Å; Y195-L217 HydrophobicContact CE1-CB 4.02Å; Y195-L217 HydrophobicContact CE1-CD1 3.66Å; Y195-L217 HydrophobicContact CE1-CG 4.39Å; Y195-L217 HydrophobicContact CE2-CB 3.66Å; R200-L217 HydrophobicContact CB-CD1 4.12Å; K203-L217 HydrophobicContact CB-CD2 4.49Å; K203-L217 HydrophobicContact CD-CD2 3.98Å; I215-L217 HydrophobicContact CD1-CD2 3.71Å; I215-L217 HydrophobicContact CG1-CD2 3.86Å; I215-L217 HydrophobicContact CG1-CG 4.29Å; L217-V248 HydrophobicContact CD1-CG1 4.49Å; L217-V284 HydrophobicContact CD1-CG1 3.94Å; L217-V284 HydrophobicContact CG-CG1 4.26Å; L217-H285 PolarHBondContact N-O 3.3Å; L217-P286 CarbonylContact O-C 3.56Å; L217-P286 WeakPolarHBondContact O-CA 3.4Å; L217-I287 PolarHBondContact O-N 2.83Å
218	Y	98.8	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155	178	81.2	-78.5	0	0	0	112.9	Y166 I192 A193 R194 Y195 D220 I287 A292 L296 L313	Y166-Y218 HydrophobicContact CE2-CE1 4.16Å; I192-Y218 HydrophobicContact CD1-CD1 3.96Å; I192-Y218 HydrophobicContact CD1-CE1 4.33Å; I192-Y218 HydrophobicContact CG1-CD1 3.73Å; I192-Y218 HydrophobicContact CG1-CE1 4.03Å; A193-Y218 WeakPolarHBondContact O-CD1 3.4Å; A193-Y218 PolarHBondContact O-N 2.88Å; A193-Y218 VanDerWaalsContact O-N 3.1Å; R194-Y218 CarbonylContact C-O 3.58Å; R194-Y218 VanDerWaalsContact CA-O 3.26Å; R194-Y218 WeakPolarHBondContact CA-O 3.35Å; R194-Y218 HydrophobicContact CB-CD1 4.3Å; R194-Y218 HydrophobicContact CB-CE1 3.74Å; R194-Y218 HydrophobicContact CB-CE2 4.39Å; Y195-Y218 PolarHBondContact N-O 2.87Å; Y218-D220 HydrophobicContact CD2-CB 4.34Å; Y218-D220 HydrophobicContact CE2-CB 3.55Å; Y218-D220 WeakPolarHBondContact CE2-OD2 3.48Å; Y218-D220 PolarHBondContact O-N 3.5Å; Y218-D220 PolarHBondContact OH-OD2 2.99Å; Y218-I287 WeakPolarHBondContact CA-O 3.42Å; Y218-A292 HydrophobicContact CD1-CB 4.24Å; Y218-A292 HydrophobicContact CD2-CB 3.3Å; Y218-A292 HydrophobicContact CE2-CB 3.95Å; Y218-A292 HydrophobicContact CG-CB 3.49Å; Y218-A292 VanDerWaalsContact CG-CB 3.49Å; Y218-L296 HydrophobicContact CE1-CD1 4.17Å; Y218-L296 HydrophobicContact CE2-CD1 4.32Å; Y218-L313 HydrophobicContact CE2-CD1 3.85Å
219	S	98.4	Very high	97.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	21%	0.209	C	C	.	.			trans	-95.2	87.1	-178.6	-63	0	0	0	0	111.2	Y289	S219-Y289 WeakPolarHBondContact O-CB 3.44Å; S219-Y289 WeakPolarHBondContact O-CD1 3.33Å
220	D	98.6	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	21%	0.205	C	C	.	.			trans	-60.6	135.5	179.9	-161.2	-71.3	0	0	0	111.8	R194 Y218 A222 D223 Y224 G311 S312 Y317	R194-D220 HydrophobicContact CB-CB 3.99Å; Y218-D220 HydrophobicContact CD2-CB 4.34Å; Y218-D220 HydrophobicContact CE2-CB 3.55Å; Y218-D220 WeakPolarHBondContact CE2-OD2 3.48Å; Y218-D220 PolarHBondContact O-N 3.5Å; Y218-D220 PolarHBondContact OH-OD2 2.99Å; D220-A222 PolarHBondContact O-N 2.92Å; D220-A222 VanDerWaalsContact O-N 3.08Å; D220-A222 VanDerWaalsContact OD1-CB 3.3Å; D220-A222 WeakPolarHBondContact OD1-CB 3.44Å; D220-A222 PolarHBondContact OD1-N 3.37Å; D220-D223 PolarHBondContact O-N 3.28Å; D220-Y224 PolarHBondContact O-N 3.38Å; D220-Y224 VanDerWaalsContact O-N 3.13Å; D220-G311 WeakPolarHBondContact OD1-CA 3.45Å; D220-S312 PolarHBondContact OD1-N 3.48Å; D220-Y317 WeakPolarHBondContact OD2-CE1 3.4Å; D220-Y317 PolarHBondContact OD2-OH 3.3Å
221	P	97.9	Very high	97.4	Very high	20 Å²	20	31.3 Å²	31.3	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-24.3	177.7	-27.2	36.1	0	0	0	114	D223 C225 Y289 L313	P221-D223 PolarHBondContact O-N 2.96Å; P221-C225 HydrophobicContact CB-CB 4.02Å; P221-C225 WeakPolarHBondContact O-CB 3.31Å; P221-C225 PolarHBondContact O-N 3.21Å; P221-Y289 HydrophobicContact CG-CD1 4Å; P221-Y289 HydrophobicContact CG-CD2 3.79Å; P221-Y289 HydrophobicContact CG-CE1 4.27Å; P221-Y289 HydrophobicContact CG-CE2 4.1Å; P221-Y289 HydrophobicContact CG-CG 3.74Å; P221-L313 HydrophobicContact CG-CD2 3.94Å
222	A	96.6	Very high	97.4	Very high	33 Å²	33	30.9 Å²	30.9	27%	0.273	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-26.8	172.8	0	0	0	0	0	113.4	D220 S312	D220-A222 PolarHBondContact O-N 2.92Å; D220-A222 VanDerWaalsContact O-N 3.08Å; D220-A222 VanDerWaalsContact OD1-CB 3.3Å; D220-A222 WeakPolarHBondContact OD1-CB 3.44Å; D220-A222 PolarHBondContact OD1-N 3.37Å; A222-S312 WeakPolarHBondContact CB-OG 3.18Å
223	D	96.3	Very high	97.3	Very high	2 Å²	2	33 Å²	33	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-114	-12.6	-174.3	-69.4	-80.6	0	0	0	113.9	Y169 R194 K197 D220 P221 F536 S537	Y169-D223 VanDerWaalsContact CE1-OD2 3.29Å; Y169-D223 WeakPolarHBondContact CE1-OD2 3.28Å; Y169-D223 VanDerWaalsContact OH-CG 3.31Å; Y169-D223 PolarHBondContact OH-OD1 2.83Å; Y169-D223 PolarHBondContact OH-OD2 2.89Å; R194-D223 IonicContact NH1-OD2 3.19Å; K197-D223 IonicContact NZ-OD1 3.15Å; K197-D223 PolarHBondContact NZ-OD1 2.77Å; D220-D223 PolarHBondContact O-N 3.28Å; P221-D223 PolarHBondContact O-N 2.96Å; D223-F536 CarbonylContact O-C 3.45Å; D223-F536 VanDerWaalsContact O-CA 3.24Å; D223-F536 WeakPolarHBondContact O-CA 3.4Å; D223-F536 WeakPolarHBondContact O-CB 3.39Å; D223-S537 PolarHBondContact O-N 2.9Å
224	Y	96.6	Very high	97.2	Very high	8 Å²	8	34.6 Å²	34.6	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-137.9	11.8	-174.4	-66.2	-86.3	0	0	0	114.2	Y195 G196 D220 Q244 P540	Y195-Y224 WeakPolarHBondContact CB-OH 3.24Å; G196-Y224 PolarHBondContact N-OH 3.02Å; D220-Y224 PolarHBondContact O-N 3.38Å; D220-Y224 VanDerWaalsContact O-N 3.13Å; Y224-Q244 PolarHBondContact OH-NE2 3.45Å; Y224-P540 WeakPolarHBondContact O-CA 3.3Å; Y224-P540 WeakPolarHBondContact O-CB 3.16Å
225	C	96.1	Very high	97.2	Very high	26 Å²	26	34.9 Å²	34.9	18%	0.176	23%	0.229	C	C	.	.			trans	-128.7	120.7	167.7	-61	0	0	0	0	109.9	P221 N237	P221-C225 HydrophobicContact CB-CB 4.02Å; P221-C225 WeakPolarHBondContact O-CB 3.31Å; P221-C225 PolarHBondContact O-N 3.21Å; C225-N237 WeakPolarHBondContact CA-OD1 3.3Å
226	A	95.1	Very high	97.1	Very high	6 Å²	6	37.9 Å²	37.9	5%	0.05	24%	0.24	C	C	.	.			trans	-70.4	135.8	170.6	0	0	0	0	0	110.8	G228 V229 W236 N237 F536	A226-G228 PolarHBondContact O-N 2.84Å; A226-V229 HydrophobicContact CB-CB 4.31Å; A226-V229 HydrophobicContact CB-CG2 4.04Å; A226-V229 PolarHBondContact O-N 2.66Å; A226-W236 HydrophobicContact CB-CH2 3.13Å; A226-W236 HydrophobicContact CB-CZ2 3.82Å; A226-W236 HydrophobicContact CB-CZ3 3.55Å; A226-N237 PolarHBondContact N-ND2 3.39Å; A226-N237 PolarHBondContact N-OD1 3Å; A226-N237 PolarHBondContact O-ND2 3.44Å; A226-F536 HydrophobicContact CB-CD1 4.18Å; A226-F536 HydrophobicContact CB-CE1 3.85Å
227	P	93.8	Very high	97.1	Very high	125 Å²	125	38.1 Å²	38.1	81%	0.812	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	135.2	178.8	-23.2	33.4	0	0	0	112.4	V229	P227-V229 VanDerWaalsContact C-N 3.3Å; P227-V229 PolarHBondContact O-N 3.04Å
228	G	94	Very high	97.1	Very high	92 Å²	92	38.1 Å²	38.1	95%	0.948	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	16.1	174.1	0	0	0	0	0	115.4	A226	A226-G228 PolarHBondContact O-N 2.84Å
229	V	96.9	Very high	97	Very high	40 Å²	40	38.8 Å²	38.8	24%	0.242	25%	0.246	C	C	.	.			trans	-115.5	134.3	178.7	176.8	0	0	0	0	109.4	A226 P227 W236 N237	A226-V229 HydrophobicContact CB-CB 4.31Å; A226-V229 HydrophobicContact CB-CG2 4.04Å; A226-V229 PolarHBondContact O-N 2.66Å; P227-V229 VanDerWaalsContact C-N 3.3Å; P227-V229 PolarHBondContact O-N 3.04Å; V229-W236 HydrophobicContact CB-CZ2 4.4Å; V229-W236 HydrophobicContact CG1-CD2 3.81Å; V229-W236 HydrophobicContact CG1-CG 3.87Å; V229-W236 HydrophobicContact CG1-CZ2 4.15Å; V229-W236 HydrophobicContact CG2-CH2 4.45Å; V229-W236 HydrophobicContact CG2-CZ2 3.66Å; V229-N237 PolarHBondContact O-ND2 3.16Å
230	D	98.3	Very high	97	Very high	112 Å²	112	39 Å²	39	60%	0.599	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-69.4	154.2	177	-66.1	-40.8	0	0	0	112	D234 G235 W236 N237	D230-D234 HydrophobicContact CB-CB 4.31Å; D230-G235 CarbonylContact O-C 3.25Å; D230-G235 VanDerWaalsContact O-C 3.25Å; D230-G235 WeakPolarHBondContact O-CA 3.28Å; D230-W236 PolarHBondContact O-N 3.14Å; D230-N237 WeakPolarHBondContact O-CB 3.49Å; D230-N237 PolarHBondContact O-N 3.4Å; D230-N237 VanDerWaalsContact O-N 3.1Å
231	V	97.6	Very high	96.9	Very high	63 Å²	63	40 Å²	40	38%	0.382	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-71.1	156.3	172.4	-60.8	0	0	0	0	110.5	D234 G235 N237 L238 P239	V231-D234 PolarHBondContact O-N 2.84Å; V231-G235 PolarHBondContact O-N 2.79Å; V231-N237 WeakPolarHBondContact CA-O 3.33Å; V231-N237 HydrophobicContact CG1-CB 4.13Å; V231-L238 VanDerWaalsContact CG1-O 3.32Å; V231-L238 WeakPolarHBondContact CG1-O 3.37Å; V231-P239 HydrophobicContact CB-CB 4.49Å; V231-P239 HydrophobicContact CB-CG 4.33Å
232	Y	97.9	Very high	96.9	Very high	17 Å²	17	39 Å²	39	7%	0.067	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	135.8	172.5	-168.5	-85.7	0	0	0	110.8	P138 G235 N237 P239 Y546 T548 L551	P138-Y232 HydrophobicContact CB-CE1 3.73Å; Y232-G235 WeakPolarHBondContact CA-O 3.18Å; Y232-G235 PolarHBondContact N-O 3.45Å; Y232-N237 PolarHBondContact N-O 3.22Å; Y232-P239 WeakPolarHBondContact O-CG 3.43Å; Y232-Y546 AromaticContact CD1-CD1 3.47Å; Y232-Y546 HydrophobicContact CD1-CD1 3.47Å; Y232-Y546 VanDerWaalsContact CD1-CD1 3.47Å; Y232-Y546 HydrophobicContact CD1-CE1 4.25Å; Y232-Y546 HydrophobicContact CD1-CG 4.17Å; Y232-Y546 HydrophobicContact CE1-CD1 4.04Å; Y232-Y546 HydrophobicContact CG-CD1 4.18Å; Y232-Y546 HydrophobicContact CG-CG 4.46Å; Y232-T548 PolarHBondContact OH-OG1 3.44Å; Y232-L551 HydrophobicContact CD2-CD1 3.84Å; Y232-L551 HydrophobicContact CE2-CB 4.06Å; Y232-L551 HydrophobicContact CE2-CD1 4.17Å
233	P	96.8	Very high	96.9	Very high	50 Å²	50	37.6 Å²	37.6	33%	0.325	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.2	-8.5	15.6	36.8	-36.9	0	0	0	116.7
234	D	97.5	Very high	97	Very high	132 Å²	132	37.8 Å²	37.8	71%	0.706	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.7	-173.7	-63.1	-42	0	0	0	112.7	D230 V231	D230-D234 HydrophobicContact CB-CB 4.31Å; V231-D234 PolarHBondContact O-N 2.84Å
235	G	97.8	Very high	97.1	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	24%	0.24	C	C	.	.	S	Bend	trans	-136.9	-162.9	166.3	0	0	0	0	0	112.6	D230 V231 Y232 F555	D230-G235 CarbonylContact O-C 3.25Å; D230-G235 VanDerWaalsContact O-C 3.25Å; D230-G235 WeakPolarHBondContact O-CA 3.28Å; V231-G235 PolarHBondContact O-N 2.79Å; Y232-G235 WeakPolarHBondContact CA-O 3.18Å; Y232-G235 PolarHBondContact N-O 3.45Å; G235-F555 WeakPolarHBondContact O-CE2 2.9Å
236	W	97.6	Very high	97.3	Very high	63 Å²	63	36.2 Å²	36.2	24%	0.239	23%	0.232	C	C	.	.	S	Bend	trans	-109.5	8.7	-174.7	53.4	-91	0	0	0	113.4	A226 V229 D230 F536 P540 L551 F555 Y556	A226-W236 HydrophobicContact CB-CH2 3.13Å; A226-W236 HydrophobicContact CB-CZ2 3.82Å; A226-W236 HydrophobicContact CB-CZ3 3.55Å; V229-W236 HydrophobicContact CB-CZ2 4.4Å; V229-W236 HydrophobicContact CG1-CD2 3.81Å; V229-W236 HydrophobicContact CG1-CG 3.87Å; V229-W236 HydrophobicContact CG1-CZ2 4.15Å; V229-W236 HydrophobicContact CG2-CH2 4.45Å; V229-W236 HydrophobicContact CG2-CZ2 3.66Å; D230-W236 PolarHBondContact O-N 3.14Å; W236-F536 HydrophobicContact CH2-CE1 4.06Å; W236-F536 AromaticContact CH2-CZ 3.89Å; W236-F536 HydrophobicContact CH2-CZ 3.89Å; W236-F536 HydrophobicContact CZ3-CE1 4.25Å; W236-F536 HydrophobicContact CZ3-CE2 4.4Å; W236-F536 AromaticContact CZ3-CZ 3.85Å; W236-F536 HydrophobicContact CZ3-CZ 3.85Å; W236-P540 HydrophobicContact CE3-CG 3.63Å; W236-P540 HydrophobicContact CZ3-CG 3.58Å; W236-P540 WeakPolarHBondContact O-CB 3.39Å; W236-L551 HydrophobicContact CB-CD1 4.06Å; W236-F555 HydrophobicContact CB-CB 3.92Å; W236-F555 HydrophobicContact CB-CD2 4.11Å; W236-F555 HydrophobicContact CB-CG 4.03Å; W236-F555 HydrophobicContact CG-CB 4.2Å; W236-F555 HydrophobicContact CG-CG 4.49Å; W236-Y556 HydrophobicContact CB-CE2 4.19Å
237	N	98.2	Very high	97.4	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.032	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-77.1	155.7	172.9	-86.1	-17.2	0	0	0	112.8	C225 A226 V229 D230 V231 Y232 P239	C225-N237 WeakPolarHBondContact CA-OD1 3.3Å; A226-N237 PolarHBondContact N-ND2 3.39Å; A226-N237 PolarHBondContact N-OD1 3Å; A226-N237 PolarHBondContact O-ND2 3.44Å; V229-N237 PolarHBondContact O-ND2 3.16Å; D230-N237 WeakPolarHBondContact O-CB 3.49Å; D230-N237 PolarHBondContact O-N 3.4Å; D230-N237 VanDerWaalsContact O-N 3.1Å; V231-N237 WeakPolarHBondContact CA-O 3.33Å; V231-N237 HydrophobicContact CG1-CB 4.13Å; Y232-N237 PolarHBondContact N-O 3.22Å; N237-P239 WeakPolarHBondContact O-CD 3.24Å
238	L	98.1	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.8	124.6	175.6	-178.7	60.8	0	0	0	110.4	V231 Y289 P540 T544	V231-L238 VanDerWaalsContact CG1-O 3.32Å; V231-L238 WeakPolarHBondContact CG1-O 3.37Å; L238-Y289 HydrophobicContact CB-CE1 4.39Å; L238-Y289 HydrophobicContact CD2-CD1 4.16Å; L238-Y289 HydrophobicContact CD2-CE1 4.29Å; L238-Y289 HydrophobicContact CG-CD1 4.43Å; L238-Y289 HydrophobicContact CG-CE1 4.1Å; L238-Y289 WeakPolarHBondContact O-CE1 3.43Å; L238-Y289 PolarHBondContact O-OH 2.93Å; L238-P540 HydrophobicContact CB-CB 4.29Å; L238-T544 HydrophobicContact CD1-CG2 3.7Å
239	P	98	Very high	97.8	Very high	14 Å²	14	26.4 Å²	26.4	9%	0.091	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-67.9	152.9	167.5	-22.2	36.4	0	0	0	112	V231 Y232 N237 G241 G242 Y546	V231-P239 HydrophobicContact CB-CB 4.49Å; V231-P239 HydrophobicContact CB-CG 4.33Å; Y232-P239 WeakPolarHBondContact O-CG 3.43Å; N237-P239 WeakPolarHBondContact O-CD 3.24Å; P239-G241 VanDerWaalsContact C-N 3.31Å; P239-G241 PolarHBondContact O-N 3.04Å; P239-G242 WeakPolarHBondContact O-CA 3.45Å; P239-G242 PolarHBondContact O-N 3.16Å; P239-Y546 HydrophobicContact CB-CD2 4.48Å; P239-Y546 HydrophobicContact CB-CE2 3.85Å; P239-Y546 HydrophobicContact CG-CD1 4.2Å; P239-Y546 HydrophobicContact CG-CD2 3.76Å; P239-Y546 HydrophobicContact CG-CE1 4.05Å; P239-Y546 HydrophobicContact CG-CE2 3.56Å; P239-Y546 HydrophobicContact CG-CG 4.07Å
240	G	97.1	Very high	97.8	Very high	5 Å²	5	26 Å²	26	5%	0.052	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.8	-171.5	0	0	0	0	0	117.6	G242 G288 Y289 H290	G240-G242 VanDerWaalsContact C-N 3.34Å; G240-G288 CarbonylContact O-C 3.42Å; G240-G288 WeakPolarHBondContact O-CA 3.36Å; G240-Y289 WeakPolarHBondContact CA-OH 3.36Å; G240-Y289 VanDerWaalsContact N-CZ 3.32Å; G240-Y289 PolarHBondContact N-OH 3.4Å; G240-Y289 PolarHBondContact O-N 2.84Å; G240-H290 PolarHBondContact O-N 3.4Å
241	G	96.5	Very high	97.7	Very high	21 Å²	21	20.9 Å²	20.9	22%	0.216	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.5	167	0	0	0	0	0	113.8	P239 A243	P239-G241 VanDerWaalsContact C-N 3.31Å; P239-G241 PolarHBondContact O-N 3.04Å; G241-A243 PolarHBondContact O-N 2.72Å
242	G	97.6	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.			trans	-70.6	126.2	-176.8	0	0	0	0	0	112.2	E135 P239 G240 G288	E135-G242 VanDerWaalsContact OE1-CA 3.27Å; E135-G242 WeakPolarHBondContact OE1-CA 3.46Å; P239-G242 WeakPolarHBondContact O-CA 3.45Å; P239-G242 PolarHBondContact O-N 3.16Å; G240-G242 VanDerWaalsContact C-N 3.34Å; G242-G288 WeakPolarHBondContact O-CA 3.17Å
243	A	98.3	Very high	97.3	Very high	3 Å²	3	19 Å²	19	3%	0.025	11%	0.109	C	C	.	.			trans	-126.3	123.5	-174.5	0	0	0	0	0	110.9	E135 P150 G241 R245	E135-A243 PolarHBondContact OE1-N 2.85Å; P150-A243 HydrophobicContact CB-CB 3.6Å; P150-A243 HydrophobicContact CG-CB 3.72Å; G241-A243 PolarHBondContact O-N 2.72Å; A243-R245 PolarHBondContact O-N 2.72Å
244	Q	98.4	Very high	97.2	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	9%	0.093	C	C	.	.			trans	-72.7	113.9	-176.7	-178.1	-174.3	137.8	0	0	110.8	Y195 Y224 P286 Y542 H543	Y195-Q244 HydrophobicContact CD2-CB 3.98Å; Y195-Q244 HydrophobicContact CD2-CG 4.5Å; Y195-Q244 HydrophobicContact CE2-CB 3.68Å; Y195-Q244 HydrophobicContact CE2-CG 4.25Å; Y195-Q244 PolarHBondContact OH-O 2.53Å; Y224-Q244 PolarHBondContact OH-NE2 3.45Å; Q244-P286 VanDerWaalsContact O-CB 3.25Å; Q244-P286 WeakPolarHBondContact O-CB 3.43Å; Q244-Y542 HydrophobicContact CG-CD1 4.06Å; Q244-Y542 HydrophobicContact CG-CE1 4.47Å; Q244-Y542 WeakPolarHBondContact CG-O 3.37Å; Q244-H543 HydrophobicContact CG-CB 3.93Å
245	R	98.8	Very high	97.2	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	6%	0.06	C	C	.	.			trans	-71.6	168.5	168.6	-70.6	166.2	-168.8	72.6	-3.7	111.1	E135 L148 P149 A243 W371 H543	E135-R245 IonicContact OE1-NH1 3.25Å; E135-R245 IonicContact OE2-CZ 3.36Å; E135-R245 IonicContact OE2-NH1 2.92Å; E135-R245 PolarHBondContact OE2-NH1 3.09Å; E135-R245 IonicContact OE2-NH2 3.13Å; E135-R245 PolarHBondContact OE2-NH2 3Å; L148-R245 PolarHBondContact O-NE 3.46Å; L148-R245 PolarHBondContact O-NH2 3.17Å; P149-R245 PolarHBondContact O-NE 3.32Å; A243-R245 PolarHBondContact O-N 2.72Å; R245-W371 HydrophobicContact CB-CB 4.15Å; R245-W371 HydrophobicContact CB-CD2 3.44Å; R245-W371 VanDerWaalsContact CB-CD2 3.44Å; R245-W371 HydrophobicContact CB-CE3 3.6Å; R245-W371 HydrophobicContact CB-CG 3.65Å; R245-W371 HydrophobicContact CB-CZ3 4.3Å; R245-W371 HydrophobicContact CG-CD2 4.38Å; R245-W371 HydrophobicContact CG-CE3 4.15Å; R245-H543 HydrophobicContact CB-CB 4.25Å; R245-H543 PolarHBondContact N-O 2.65Å; R245-H543 PolarHBondContact NH1-O 3.46Å; R245-H543 VanDerWaalsContact O-CB 3.29Å; R245-H543 WeakPolarHBondContact O-CB 3.35Å; R245-H543 PolarHBondContact O-ND1 3.46Å
246	G	98.4	Very high	97.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.			trans	156.7	146.9	175.7	0	0	0	0	0	112.9	N152 A153	N152-G246 VanDerWaalsContact CA-O 3.28Å; N152-G246 WeakPolarHBondContact CA-O 3.22Å; N152-G246 PolarHBondContact ND2-O 2.95Å; A153-G246 PolarHBondContact N-O 3.14Å
247	N	98.6	Very high	97.3	Very high	14 Å²	14	7.1 Å²	7.1	8%	0.075	5%	0.046	C	C	.	.			trans	-68	148.5	171.1	79.9	81.9	0	0	0	111.3	A153 F154 R200 L249 E415	A153-N247 HydrophobicContact CB-CB 4.18Å; F154-N247 HydrophobicContact CD2-CB 4.11Å; F154-N247 HydrophobicContact CE2-CB 4.22Å; R200-N247 VanDerWaalsContact CD-O 3.23Å; R200-N247 WeakPolarHBondContact CD-O 3.3Å; R200-N247 WeakPolarHBondContact CG-O 3.4Å; N247-L249 PolarHBondContact OD1-N 3.46Å; N247-E415 WeakPolarHBondContact CB-O 3.24Å; N247-E415 PolarHBondContact ND2-O 2.99Å
248	V	98.4	Very high	97.3	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	5%	0.045	C	C	.	.			trans	-116.6	22.7	177	-71.5	0	0	0	0	112.3	N152 A153 R200 V204 L217 P280 V284	N152-V248 HydrophobicContact CB-CG1 3.82Å; N152-V248 HydrophobicContact CB-CG2 4.16Å; A153-V248 WeakPolarHBondContact O-CG2 3.43Å; A153-V248 PolarHBondContact O-N 3.05Å; R200-V248 HydrophobicContact CB-CG1 4.47Å; R200-V248 HydrophobicContact CG-CG1 3.96Å; V204-V248 HydrophobicContact CG2-CB 3.94Å; V204-V248 HydrophobicContact CG2-CG1 3.82Å; L217-V248 HydrophobicContact CD1-CG1 4.49Å; V248-P280 HydrophobicContact CG2-CG 3.89Å; V248-V284 HydrophobicContact CG1-CG1 4.03Å; V248-V284 HydrophobicContact CG2-CB 4.4Å; V248-V284 HydrophobicContact CG2-CG2 4.25Å
249	L	97.9	Very high	97.4	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	5%	0.046	C	C	.	.			trans	-67.2	150.5	176	-70	174.8	0	0	0	111.4	F154 F199 N247 L251 P257 G278 I279 F416	F154-L249 HydrophobicContact CB-CD2 3.68Å; F154-L249 HydrophobicContact CB-CG 4.07Å; F154-L249 HydrophobicContact CD1-CD1 4.39Å; F154-L249 HydrophobicContact CD1-CD2 4.06Å; F154-L249 HydrophobicContact CD1-CG 4.41Å; F154-L249 HydrophobicContact CD2-CD1 3.53Å; F154-L249 HydrophobicContact CD2-CD2 3.85Å; F154-L249 HydrophobicContact CD2-CG 3.38Å; F154-L249 HydrophobicContact CE1-CD1 4.26Å; F154-L249 HydrophobicContact CE2-CD1 3.36Å; F154-L249 HydrophobicContact CE2-CD2 4.46Å; F154-L249 HydrophobicContact CE2-CG 3.8Å; F154-L249 HydrophobicContact CG-CD1 4.03Å; F154-L249 HydrophobicContact CG-CD2 3.59Å; F154-L249 HydrophobicContact CG-CG 3.7Å; F154-L249 HydrophobicContact CZ-CD1 3.76Å; F154-L249 HydrophobicContact CZ-CG 4.47Å; F199-L249 VanDerWaalsContact CE1-O 3.23Å; F199-L249 WeakPolarHBondContact CE1-O 3.47Å; N247-L249 PolarHBondContact OD1-N 3.46Å; L249-L251 HydrophobicContact CB-CD1 4.49Å; L249-L251 HydrophobicContact CB-CD2 4.44Å; L249-L251 HydrophobicContact CB-CG 3.94Å; L249-L251 HydrophobicContact CD1-CD1 4Å; L249-L251 HydrophobicContact CD1-CD2 4.06Å; L249-L251 HydrophobicContact CD1-CG 4.01Å; L249-P257 HydrophobicContact CD1-CG 3.87Å; L249-P257 HydrophobicContact CD2-CG 4.28Å; L249-G278 WeakPolarHBondContact CA-O 3.48Å; L249-I279 HydrophobicContact CD2-CB 4.44Å; L249-I279 HydrophobicContact CD2-CG1 3.81Å; L249-F416 WeakPolarHBondContact CD1-O 3.33Å
250	N	96.3	Very high	97.4	Very high	31 Å²	31	7.6 Å²	7.6	17%	0.166	5%	0.049	C	C	.	.			trans	-116	66.2	168.9	-176.4	29	0	0	0	111.1	N252 G278	N250-N252 PolarHBondContact O-N 3.17Å; N250-N252 PolarHBondContact O-ND2 2.75Å; N250-N252 PolarHBondContact OD1-ND2 3.49Å; N250-G278 PolarHBondContact N-O 2.89Å; N250-G278 WeakPolarHBondContact O-CA 3.19Å
251	L	96.1	Very high	97.4	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.026	6%	0.062	C	C	.	.			trans	-68.4	-27.8	-172.6	-69.5	173.6	0	0	0	114.7	L249 G253 A254 G255 P257 G417 L419	L249-L251 HydrophobicContact CB-CD1 4.49Å; L249-L251 HydrophobicContact CB-CD2 4.44Å; L249-L251 HydrophobicContact CB-CG 3.94Å; L249-L251 HydrophobicContact CD1-CD1 4Å; L249-L251 HydrophobicContact CD1-CD2 4.06Å; L249-L251 HydrophobicContact CD1-CG 4.01Å; L251-G253 PolarHBondContact O-N 3.49Å; L251-A254 HydrophobicContact CB-CB 4.3Å; L251-A254 HydrophobicContact CD2-CB 4.41Å; L251-A254 WeakPolarHBondContact O-CB 3.42Å; L251-A254 PolarHBondContact O-N 3.32Å; L251-A254 VanDerWaalsContact O-N 3.14Å; L251-G255 VanDerWaalsContact CD1-O 3.32Å; L251-G255 WeakPolarHBondContact CD1-O 3.11Å; L251-G255 VanDerWaalsContact CD2-O 3.3Å; L251-G255 WeakPolarHBondContact CD2-O 3.3Å; L251-P257 HydrophobicContact CD2-CG 4.06Å; L251-G417 WeakPolarHBondContact CD1-O 3.45Å; L251-L419 HydrophobicContact CD1-CD2 4.28Å
252	N	94.4	Very high	97.5	Very high	35 Å²	35	16 Å²	16	19%	0.187	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	45.6	-169.7	-61	-67.5	0	0	0	112.8	N250 R674 Y677	N250-N252 PolarHBondContact O-N 3.17Å; N250-N252 PolarHBondContact O-ND2 2.75Å; N250-N252 PolarHBondContact OD1-ND2 3.49Å; N252-R674 HydrophobicContact CB-CB 4.27Å; N252-R674 HydrophobicContact CB-CG 4.07Å; N252-Y677 HydrophobicContact CB-CD2 4.35Å; N252-Y677 HydrophobicContact CB-CE2 3.87Å
253	G	93	Very high	97.5	Very high	4 Å²	4	17 Å²	17	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	22.7	178	0	0	0	0	0	114.7	L251 E512 R517 F676 Y677	L251-G253 PolarHBondContact O-N 3.49Å; G253-E512 WeakPolarHBondContact CA-OE2 3.19Å; G253-R517 PolarHBondContact O-NE 3.37Å; G253-R517 PolarHBondContact O-NH2 3.24Å; G253-F676 WeakPolarHBondContact O-CB 3.46Å; G253-Y677 PolarHBondContact N-OH 3.31Å
254	A	95.1	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.			trans	-75.7	-24.3	-174.5	0	0	0	0	0	116.3	L251 P260 V277 R517 F676	L251-A254 HydrophobicContact CB-CB 4.3Å; L251-A254 HydrophobicContact CD2-CB 4.41Å; L251-A254 WeakPolarHBondContact O-CB 3.42Å; L251-A254 PolarHBondContact O-N 3.32Å; L251-A254 VanDerWaalsContact O-N 3.14Å; A254-P260 HydrophobicContact CB-CB 4.2Å; A254-V277 HydrophobicContact CB-CB 4.49Å; A254-V277 HydrophobicContact CB-CG1 3.94Å; A254-R517 VanDerWaalsContact CA-NH2 3.32Å; A254-R517 PolarHBondContact O-NH2 3.16Å; A254-F676 VanDerWaalsContact CA-CD2 3.5Å; A254-F676 HydrophobicContact CB-CD2 3.7Å; A254-F676 HydrophobicContact CB-CE2 3.75Å
255	G	97.6	Very high	97.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	10%	0.095	C	C	.	.			trans	86.3	-146.7	-168.6	0	0	0	0	0	111.3	L251	L251-G255 VanDerWaalsContact CD1-O 3.32Å; L251-G255 WeakPolarHBondContact CD1-O 3.11Å; L251-G255 VanDerWaalsContact CD2-O 3.3Å; L251-G255 WeakPolarHBondContact CD2-O 3.3Å
256	D	98.7	Very high	97.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-53.8	129.9	175.8	167.5	60.7	0	0	0	111.6	V105 L106 L258 T259 E423	V105-D256 HydrophobicContact CB-CB 4.22Å; V105-D256 HydrophobicContact CG1-CB 4.05Å; L106-D256 WeakPolarHBondContact CB-OD1 3.43Å; L106-D256 PolarHBondContact N-OD1 3.25Å; D256-L258 PolarHBondContact O-N 2.69Å; D256-L258 WeakPolarHBondContact OD2-CA 3.34Å; D256-L258 WeakPolarHBondContact OD2-CB 3.39Å; D256-L258 PolarHBondContact OD2-N 3.19Å; D256-L258 VanDerWaalsContact OD2-N 3.14Å; D256-T259 WeakPolarHBondContact CB-OG1 3.26Å; D256-T259 PolarHBondContact O-N 3.25Å; D256-T259 PolarHBondContact OD2-N 3.24Å; D256-T259 VanDerWaalsContact OD2-N 3.08Å; D256-T259 PolarHBondContact OD2-OG1 3.31Å; D256-E423 VanDerWaalsContact CB-OE1 3.31Å; D256-E423 WeakPolarHBondContact CB-OE1 3.21Å; D256-E423 PolarHBondContact N-OE1 2.88Å
257	P	98.6	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-24.2	-180	-29.1	33	0	0	0	115.2	L106 L249 L251 G276 V277 I279	L106-P257 HydrophobicContact CD2-CB 4.22Å; L106-P257 HydrophobicContact CD2-CG 4.39Å; L249-P257 HydrophobicContact CD1-CG 3.87Å; L249-P257 HydrophobicContact CD2-CG 4.28Å; L251-P257 HydrophobicContact CD2-CG 4.06Å; P257-G276 CarbonylContact O-C 3.52Å; P257-G276 WeakPolarHBondContact O-CA 3.14Å; P257-V277 PolarHBondContact O-N 3.32Å; P257-I279 HydrophobicContact CB-CD1 4.18Å; P257-I279 HydrophobicContact CB-CG1 4.3Å
258	L	98.7	Very high	97.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-11.2	-172.5	-53.3	-172.2	0	0	0	114.3	L106 D256 R270 Y271 V273 I342	L106-L258 HydrophobicContact CB-CD1 3.96Å; L106-L258 HydrophobicContact CB-CG 3.97Å; L106-L258 HydrophobicContact CD1-CD1 4.03Å; L106-L258 HydrophobicContact CD2-CD1 4.19Å; L106-L258 HydrophobicContact CD2-CD2 4.01Å; L106-L258 HydrophobicContact CD2-CG 4.01Å; L106-L258 HydrophobicContact CG-CD1 4.29Å; L106-L258 HydrophobicContact CG-CG 4.45Å; D256-L258 PolarHBondContact O-N 2.69Å; D256-L258 WeakPolarHBondContact OD2-CA 3.34Å; D256-L258 WeakPolarHBondContact OD2-CB 3.39Å; D256-L258 PolarHBondContact OD2-N 3.19Å; D256-L258 VanDerWaalsContact OD2-N 3.14Å; L258-R270 HydrophobicContact CB-CB 4.09Å; L258-R270 HydrophobicContact CB-CG 4.19Å; L258-R270 HydrophobicContact CD1-CB 4.49Å; L258-R270 WeakPolarHBondContact O-CA 3.37Å; L258-Y271 VanDerWaalsContact O-CD2 3.28Å; L258-Y271 WeakPolarHBondContact O-CD2 3.35Å; L258-Y271 PolarHBondContact O-N 3.1Å; L258-V273 HydrophobicContact CD1-CG2 4.42Å; L258-I342 HydrophobicContact CD1-CD1 4.31Å; L258-I342 HydrophobicContact CD1-CG1 4.2Å
259	T	98.6	Very high	97.5	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.025	19%	0.192	C	C	.	.	S	Bend	trans	-131.9	37.6	-175.1	54.8	0	0	0	0	113.9	D256 G261 Y262 A264 T268 R270	D256-T259 WeakPolarHBondContact CB-OG1 3.26Å; D256-T259 PolarHBondContact O-N 3.25Å; D256-T259 PolarHBondContact OD2-N 3.24Å; D256-T259 VanDerWaalsContact OD2-N 3.08Å; D256-T259 PolarHBondContact OD2-OG1 3.31Å; T259-G261 PolarHBondContact O-N 2.93Å; T259-Y262 VanDerWaalsContact CB-O 3.31Å; T259-Y262 WeakPolarHBondContact CB-O 3.37Å; T259-Y262 PolarHBondContact O-N 2.87Å; T259-A264 HydrophobicContact CG2-CB 4.11Å; T259-A264 WeakPolarHBondContact OG1-CB 3.37Å; T259-T268 HydrophobicContact CG2-CG2 3.74Å; T259-R270 HydrophobicContact CG2-CG 3.7Å
260	P	98.1	Very high	97.5	Very high	24 Å²	24	43.1 Å²	43.1	16%	0.156	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	115	-172.3	28.5	-39.3	0	0	0	112.9	A254 Y271 V277 F676	A254-P260 HydrophobicContact CB-CB 4.2Å; P260-Y271 HydrophobicContact CG-CD2 4.12Å; P260-Y271 HydrophobicContact CG-CE2 3.67Å; P260-V277 HydrophobicContact CB-CG2 4.03Å; P260-V277 HydrophobicContact CG-CG2 3.77Å; P260-F676 HydrophobicContact CB-CE2 3.81Å; P260-F676 HydrophobicContact CB-CZ 3.72Å
261	G	97.1	Very high	97.6	Very high	31 Å²	31	46.7 Å²	46.7	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-0.8	177.8	0	0	0	0	0	115.7	T259 E426	T259-G261 PolarHBondContact O-N 2.93Å; G261-E426 WeakPolarHBondContact CA-OE1 3.34Å; G261-E426 PolarHBondContact N-OE1 3.12Å
262	Y	98.5	Very high	97.6	Very high	173 Å²	173	52.9 Å²	52.9	68%	0.678	24%	0.24	S	C	*	.	S	Bend	trans	-140.4	136.9	177.4	-59.5	-81.9	0	0	0	110.5	T259 A264 E426	T259-Y262 VanDerWaalsContact CB-O 3.31Å; T259-Y262 WeakPolarHBondContact CB-O 3.37Å; T259-Y262 PolarHBondContact O-N 2.87Å; Y262-A264 PolarHBondContact O-N 3.15Å; Y262-E426 WeakPolarHBondContact CA-OE2 3.45Å; Y262-E426 PolarHBondContact N-OE2 3.05Å; Y262-E426 VanDerWaalsContact O-OE2 3.08Å
263	P	98.7	Very high	97.5	Very high	19 Å²	19	54.2 Å²	54.2	12%	0.123	25%	0.249	C	C	.	.			trans	-62	138.1	-175.4	28.8	-37.8	0	0	0	112.4	Y103 K265 T268 E423 E427	Y103-P263 HydrophobicContact CD1-CB 4.34Å; Y103-P263 HydrophobicContact CE1-CB 3.9Å; P263-K265 HydrophobicContact CB-CD 4.19Å; P263-K265 HydrophobicContact CB-CG 4.16Å; P263-K265 HydrophobicContact CG-CG 4.11Å; P263-K265 PolarHBondContact O-N 3.25Å; P263-T268 WeakPolarHBondContact O-CB 3.48Å; P263-T268 WeakPolarHBondContact O-CG2 3.35Å; P263-T268 PolarHBondContact O-OG1 3.19Å; P263-E423 WeakPolarHBondContact CA-OE2 3.34Å; P263-E427 HydrophobicContact CB-CB 3.72Å; P263-E427 HydrophobicContact CB-CG 4.43Å; P263-E427 HydrophobicContact CG-CB 3.94Å; P263-E427 HydrophobicContact CG-CG 4.33Å
264	A	98.6	Very high	97.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.282	C	S	.	.			trans	-72.2	55.3	-179.6	0	0	0	0	0	114	D104 V105 T259 Y262 R270 E423	D104-A264 PolarHBondContact N-O 2.98Å; V105-A264 HydrophobicContact CG1-CB 3.91Å; T259-A264 HydrophobicContact CG2-CB 4.11Å; T259-A264 WeakPolarHBondContact OG1-CB 3.37Å; Y262-A264 PolarHBondContact O-N 3.15Å; A264-R270 PolarHBondContact O-NH2 3.35Å; A264-R270 VanDerWaalsContact O-NH2 3.15Å; A264-E423 HydrophobicContact CB-CG 4.44Å; A264-E423 WeakPolarHBondContact CB-OE2 3.44Å; A264-E423 PolarHBondContact N-OE2 2.85Å
265	K	98.7	Very high	97.3	Very high	36 Å²	36	66.8 Å²	66.8	16%	0.157	30%	0.304	C	S	.	.			trans	-72.2	170.6	173	-47.9	-57	-74.4	-164.2	0	111.5	Y103 P263 Y267 T268 R270 E427	Y103-K265 HydrophobicContact CD1-CD 3.91Å; Y103-K265 HydrophobicContact CE1-CD 3.8Å; P263-K265 HydrophobicContact CB-CD 4.19Å; P263-K265 HydrophobicContact CB-CG 4.16Å; P263-K265 HydrophobicContact CG-CG 4.11Å; P263-K265 PolarHBondContact O-N 3.25Å; K265-Y267 VanDerWaalsContact C-N 3.27Å; K265-Y267 HydrophobicContact CB-CD1 3.96Å; K265-Y267 HydrophobicContact CB-CE1 3.67Å; K265-Y267 HydrophobicContact CG-CE1 4.02Å; K265-Y267 PolarHBondContact O-N 3.04Å; K265-T268 WeakPolarHBondContact CB-OG1 3.49Å; K265-T268 PolarHBondContact N-OG1 3.45Å; K265-T268 VanDerWaalsContact N-OG1 3.07Å; K265-T268 WeakPolarHBondContact O-CB 3.39Å; K265-T268 PolarHBondContact O-N 3.17Å; K265-T268 VanDerWaalsContact O-N 3.14Å; K265-T268 PolarHBondContact O-OG1 3.15Å; K265-R270 PolarHBondContact O-NH1 3.31Å; K265-R270 PolarHBondContact O-NH2 3.03Å; K265-E427 VanDerWaalsContact CE-OE1 3.24Å; K265-E427 WeakPolarHBondContact CE-OE1 3.46Å; K265-E427 VanDerWaalsContact NZ-CD 3.31Å; K265-E427 IonicContact NZ-OE1 3.57Å; K265-E427 PolarHBondContact NZ-OE1 3.25Å; K265-E427 IonicContact NZ-OE2 3.69Å; K265-E427 PolarHBondContact NZ-OE2 2.94Å
266	E	98.3	Very high	97.2	Very high	124 Å²	124	67.3 Å²	67.3	58%	0.579	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.8	-178.2	-68.2	161.9	-179.1	0	0	112.4	H102 R344	H102-E266 IonicContact CD2-OE1 2.75Å; H102-E266 IonicContact CE1-OE1 3.46Å; H102-E266 IonicContact NE2-OE1 2.65Å; H102-E266 PolarHBondContact NE2-OE1 3.47Å; E266-R344 IonicContact OE1-CZ 3.21Å; E266-R344 IonicContact OE1-NH1 3.77Å; E266-R344 IonicContact OE1-NH2 2.86Å; E266-R344 PolarHBondContact OE1-NH2 3.39Å
267	Y	97.8	Very high	97.1	Very high	192 Å²	192	69.5 Å²	69.5	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.3	179.3	65.5	-98.6	0	0	0	114	K265 F269	K265-Y267 VanDerWaalsContact C-N 3.27Å; K265-Y267 HydrophobicContact CB-CD1 3.96Å; K265-Y267 HydrophobicContact CB-CE1 3.67Å; K265-Y267 HydrophobicContact CG-CE1 4.02Å; K265-Y267 PolarHBondContact O-N 3.04Å; Y267-F269 PolarHBondContact O-N 2.96Å
268	T	98.6	Very high	97	Very high	19 Å²	19	70.7 Å²	70.7	12%	0.117	34%	0.335	C	S	.	.			trans	-69.2	133.5	-170.4	-55	0	0	0	0	111.2	T259 P263 K265 R270	T259-T268 HydrophobicContact CG2-CG2 3.74Å; P263-T268 WeakPolarHBondContact O-CB 3.48Å; P263-T268 WeakPolarHBondContact O-CG2 3.35Å; P263-T268 PolarHBondContact O-OG1 3.19Å; K265-T268 WeakPolarHBondContact CB-OG1 3.49Å; K265-T268 PolarHBondContact N-OG1 3.45Å; K265-T268 VanDerWaalsContact N-OG1 3.07Å; K265-T268 WeakPolarHBondContact O-CB 3.39Å; K265-T268 PolarHBondContact O-N 3.17Å; K265-T268 VanDerWaalsContact O-N 3.14Å; K265-T268 PolarHBondContact O-OG1 3.15Å; T268-R270 PolarHBondContact O-N 3.5Å; T268-R270 PolarHBondContact O-NH1 3.1Å
269	F	98.3	Very high	96.9	Very high	152 Å²	152	72.3 Å²	72.3	67%	0.667	34%	0.343	S	S	*	.			trans	-59.9	134.3	170	170.8	-91.7	0	0	0	110.3	Y267 Y271	Y267-F269 PolarHBondContact O-N 2.96Å; F269-Y271 HydrophobicContact CE1-CD1 4.17Å; F269-Y271 HydrophobicContact CE1-CE1 4.24Å; F269-Y271 HydrophobicContact CE1-CG 4.34Å
270	R	98.4	Very high	96.9	Very high	53 Å²	53	72.6 Å²	72.6	20%	0.2	35%	0.345	C	S	.	.			trans	-118.2	133.2	178.3	-74.3	171.3	177.2	74	1	110.4	D104 L258 T259 A264 K265 T268	D104-R270 PolarHBondContact O-NE 2.85Å; D104-R270 PolarHBondContact O-NH2 2.99Å; L258-R270 HydrophobicContact CB-CB 4.09Å; L258-R270 HydrophobicContact CB-CG 4.19Å; L258-R270 HydrophobicContact CD1-CB 4.49Å; L258-R270 WeakPolarHBondContact O-CA 3.37Å; T259-R270 HydrophobicContact CG2-CG 3.7Å; A264-R270 PolarHBondContact O-NH2 3.35Å; A264-R270 VanDerWaalsContact O-NH2 3.15Å; K265-R270 PolarHBondContact O-NH1 3.31Å; K265-R270 PolarHBondContact O-NH2 3.03Å; T268-R270 PolarHBondContact O-N 3.5Å; T268-R270 PolarHBondContact O-NH1 3.1Å
271	Y	97.3	Very high	96.7	Very high	106 Å²	106	79.9 Å²	79.9	42%	0.416	37%	0.374	S	S	.	.			trans	-58.6	155.6	165.5	-70.6	-77.3	0	0	0	110.3	L258 P260 F269	L258-Y271 VanDerWaalsContact O-CD2 3.28Å; L258-Y271 WeakPolarHBondContact O-CD2 3.35Å; L258-Y271 PolarHBondContact O-N 3.1Å; P260-Y271 HydrophobicContact CG-CD2 4.12Å; P260-Y271 HydrophobicContact CG-CE2 3.67Å; F269-Y271 HydrophobicContact CE1-CD1 4.17Å; F269-Y271 HydrophobicContact CE1-CE1 4.24Å; F269-Y271 HydrophobicContact CE1-CG 4.34Å
272	K	96.3	Very high	96.8	Very high	136 Å²	136	79.1 Å²	79.1	59%	0.591	36%	0.363	S	S	*	.			trans	-65.9	146.6	169.8	-65.9	176.8	-178.5	172.1	0	108.5	K274 E275 G276	K272-K274 HydrophobicContact CB-CG 4.1Å; K272-K274 PolarHBondContact O-N 2.96Å; K272-K274 VanDerWaalsContact O-N 3.1Å; K272-E275 CarbonylContact O-C 3.54Å; K272-E275 WeakPolarHBondContact O-CA 3.33Å; K272-E275 WeakPolarHBondContact O-CB 3.3Å; K272-E275 PolarHBondContact O-N 3.47Å; K272-G276 PolarHBondContact O-N 3.42Å
273	V	93.2	Very high	96.8	Very high	63 Å²	63	71.3 Å²	71.3	38%	0.382	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-52.2	-40.1	-178.8	177.9	0	0	0	0	112.6	L106 L258 E275 G276 I279 N340	L106-V273 HydrophobicContact CD1-CG2 4.13Å; L106-V273 HydrophobicContact CD2-CG1 4.26Å; L258-V273 HydrophobicContact CD1-CG2 4.42Å; V273-E275 PolarHBondContact O-N 3.5Å; V273-G276 PolarHBondContact O-N 2.99Å; V273-I279 HydrophobicContact CG1-CD1 4.38Å; V273-I279 VanDerWaalsContact O-CD1 3.3Å; V273-I279 WeakPolarHBondContact O-CD1 2.92Å; V273-N340 HydrophobicContact CG1-CB 4.17Å
274	K	91.1	Very high	96.8	Very high	169 Å²	169	70.4 Å²	70.4	74%	0.735	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20	176.7	64.6	171.9	-171	172.2	0	115.1	K272	K272-K274 HydrophobicContact CB-CG 4.1Å; K272-K274 PolarHBondContact O-N 2.96Å; K272-K274 VanDerWaalsContact O-N 3.1Å
275	E	93	Very high	96.8	Very high	99 Å²	99	70.7 Å²	70.7	46%	0.463	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-102.3	-0.4	178.4	-72.6	152.5	-149.9	0	0	111.4	K272 V273	K272-E275 CarbonylContact O-C 3.54Å; K272-E275 WeakPolarHBondContact O-CA 3.33Å; K272-E275 WeakPolarHBondContact O-CB 3.3Å; K272-E275 PolarHBondContact O-N 3.47Å; V273-E275 PolarHBondContact O-N 3.5Å
276	G	95.4	Very high	96.8	Very high	11 Å²	11	69.1 Å²	69.1	11%	0.113	32%	0.322	C	S	.	.			trans	-61.4	141.1	-177.9	0	0	0	0	0	112.5	P257 K272 V273 G278	P257-G276 CarbonylContact O-C 3.52Å; P257-G276 WeakPolarHBondContact O-CA 3.14Å; K272-G276 PolarHBondContact O-N 3.42Å; V273-G276 PolarHBondContact O-N 2.99Å; G276-G278 PolarHBondContact O-N 2.96Å
277	V	96.9	Very high	96.8	Very high	46 Å²	46	63.4 Å²	63.4	28%	0.279	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	128.2	-174.1	-178.8	0	0	0	0	110.7	A254 P257 P260 I279	A254-V277 HydrophobicContact CB-CB 4.49Å; A254-V277 HydrophobicContact CB-CG1 3.94Å; P257-V277 PolarHBondContact O-N 3.32Å; P260-V277 HydrophobicContact CB-CG2 4.03Å; P260-V277 HydrophobicContact CG-CG2 3.77Å; V277-I279 PolarHBondContact O-N 3.27Å; V277-I279 VanDerWaalsContact O-N 3.15Å
278	G	95.4	Very high	96.8	Very high	26 Å²	26	54.3 Å²	54.3	27%	0.268	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	8.5	168.9	0	0	0	0	0	115.9	L249 N250 G276	L249-G278 WeakPolarHBondContact CA-O 3.48Å; N250-G278 PolarHBondContact N-O 2.89Å; N250-G278 WeakPolarHBondContact O-CA 3.19Å; G276-G278 PolarHBondContact O-N 2.96Å
279	I	97.6	Very high	96.8	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.179	26%	0.259	C	S	.	.			trans	-70	126.4	176	-63.2	173.6	0	0	0	109.5	L106 L249 P257 V273 V277	L106-I279 HydrophobicContact CD2-CD1 3.83Å; L249-I279 HydrophobicContact CD2-CB 4.44Å; L249-I279 HydrophobicContact CD2-CG1 3.81Å; P257-I279 HydrophobicContact CB-CD1 4.18Å; P257-I279 HydrophobicContact CB-CG1 4.3Å; V273-I279 HydrophobicContact CG1-CD1 4.38Å; V273-I279 VanDerWaalsContact O-CD1 3.3Å; V273-I279 WeakPolarHBondContact O-CD1 2.92Å; V277-I279 PolarHBondContact O-N 3.27Å; V277-I279 VanDerWaalsContact O-N 3.15Å
280	P	96.6	Very high	96.8	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.065	25%	0.251	C	S	.	.			trans	-68.6	152.3	178.8	31.1	-37.6	0	0	0	111.7	F154 V204 I208 V248	F154-P280 VanDerWaalsContact O-CD 3.28Å; F154-P280 WeakPolarHBondContact O-CD 3.41Å; F154-P280 WeakPolarHBondContact O-CG 3.28Å; V204-P280 HydrophobicContact CG1-CB 3.76Å; I208-P280 HydrophobicContact CD1-CB 4.26Å; V248-P280 HydrophobicContact CG2-CG 3.89Å
281	K	95.5	Very high	96.8	Very high	178 Å²	178	50.7 Å²	50.7	77%	0.774	25%	0.246	S	C	*	.	S	Bend	trans	-104.8	1.6	-178	-61.5	-176.6	-179.5	179.7	0	113.9
282	I	98.1	Very high	96.9	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.077	23%	0.226	C	C	.	.	S	Bend	trans	-123.9	149.3	-179.9	63.4	172.3	0	0	0	109.5	V204 A207 I208 Q213 I215	V204-I282 HydrophobicContact CG1-CD1 4.49Å; V204-I282 HydrophobicContact CG1-CG1 4.3Å; A207-I282 HydrophobicContact CB-CD1 4.3Å; I208-I282 HydrophobicContact CD1-CD1 4.49Å; I208-I282 HydrophobicContact CD1-CG1 4.14Å; I208-I282 HydrophobicContact CG1-CD1 3.6Å; I208-I282 HydrophobicContact CG1-CG1 3.69Å; I208-I282 HydrophobicContact CG1-CG2 4.17Å; Q213-I282 WeakPolarHBondContact O-CB 3.41Å; I215-I282 HydrophobicContact CG2-CD1 3.87Å; I215-I282 HydrophobicContact CG2-CG1 4.42Å
283	P	98.6	Very high	97	Very high	8 Å²	8	41 Å²	41	5%	0.052	21%	0.206	C	C	.	.			trans	-61.9	140.7	172.2	-29.8	40.8	0	0	0	112.8	S155 L160 Q213 G214 I215 M334 V336	S155-P283 WeakPolarHBondContact OG-CA 3.25Å; L160-P283 HydrophobicContact CD2-CB 4.28Å; L160-P283 HydrophobicContact CD2-CG 3.67Å; Q213-P283 WeakPolarHBondContact O-CD 3.15Å; G214-P283 WeakPolarHBondContact CA-O 3.19Å; I215-P283 PolarHBondContact N-O 2.66Å; P283-M334 HydrophobicContact CB-CE 4.32Å; P283-V336 HydrophobicContact CB-CB 4.03Å; P283-V336 HydrophobicContact CB-CG2 3.81Å
284	V	98.8	Very high	97.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.9	179.8	-168.9	0	0	0	0	109	N152 S155 V204 I215 L217 V248	N152-V284 HydrophobicContact CB-CB 4.17Å; N152-V284 HydrophobicContact CB-CG1 3.93Å; N152-V284 WeakPolarHBondContact OD1-CG1 3.29Å; S155-V284 WeakPolarHBondContact CB-O 3.1Å; S155-V284 PolarHBondContact OG-N 2.78Å; S155-V284 PolarHBondContact OG-O 2.92Å; V204-V284 HydrophobicContact CB-CG2 4.47Å; V204-V284 HydrophobicContact CG1-CG2 3.74Å; V204-V284 HydrophobicContact CG2-CB 4.49Å; V204-V284 HydrophobicContact CG2-CG1 3.88Å; V204-V284 HydrophobicContact CG2-CG2 3.82Å; I215-V284 HydrophobicContact CG2-CB 4.11Å; I215-V284 HydrophobicContact CG2-CG1 3.85Å; I215-V284 HydrophobicContact CG2-CG2 3.61Å; I215-V284 VanDerWaalsContact O-CA 3.3Å; I215-V284 WeakPolarHBondContact O-CA 3.37Å; L217-V284 HydrophobicContact CD1-CG1 3.94Å; L217-V284 HydrophobicContact CG-CG1 4.26Å; V248-V284 HydrophobicContact CG1-CG1 4.03Å; V248-V284 HydrophobicContact CG2-CB 4.4Å; V248-V284 HydrophobicContact CG2-CG2 4.25Å
285	H	98.8	Very high	97.4	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.8	179.4	-166.1	63	0	0	0	112.1	N116 I118 P150 I215 L217 M334 V336	N116-H285 WeakPolarHBondContact CB-CE1 3.22Å; I118-H285 HydrophobicContact CD1-CB 4.2Å; P150-H285 PolarHBondContact O-CE1 3.29Å; P150-H285 VanDerWaalsContact O-CE1 3.24Å; I215-H285 PolarHBondContact O-N 2.91Å; L217-H285 PolarHBondContact N-O 3.3Å; H285-M334 HydrophobicContact CB-CE 3.97Å; H285-V336 HydrophobicContact CB-CG2 4.25Å
286	P	98.8	Very high	97.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.2	176.2	34.6	-28.8	0	0	0	111.3	P150 N152 Y195 L217 Q244	P150-P286 HydrophobicContact CB-CG 4.14Å; N152-P286 WeakPolarHBondContact OD1-CD 3.49Å; Y195-P286 HydrophobicContact CE2-CB 4.19Å; L217-P286 CarbonylContact O-C 3.56Å; L217-P286 WeakPolarHBondContact O-CA 3.4Å; Q244-P286 VanDerWaalsContact O-CB 3.25Å; Q244-P286 WeakPolarHBondContact O-CB 3.43Å
287	I	98.8	Very high	97.7	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157	174.5	64	175.1	0	0	0	111.9	I118 T131 I192 I216 L217 Y218 D291 A292 L295	I118-I287 HydrophobicContact CD1-CG2 3.55Å; T131-I287 HydrophobicContact CG2-CG2 4.14Å; I192-I287 HydrophobicContact CD1-CD1 4.46Å; I216-I287 HydrophobicContact CG2-CD1 3.61Å; I216-I287 HydrophobicContact CG2-CG1 3.86Å; I216-I287 HydrophobicContact CG2-CG2 4.38Å; L217-I287 PolarHBondContact O-N 2.83Å; Y218-I287 WeakPolarHBondContact CA-O 3.42Å; I287-D291 HydrophobicContact CB-CB 4.26Å; I287-D291 HydrophobicContact CD1-CB 4.26Å; I287-A292 HydrophobicContact CD1-CB 3.87Å; I287-A292 HydrophobicContact CG1-CB 4.31Å; I287-L295 HydrophobicContact CD1-CD1 3.71Å
288	G	98.4	Very high	97.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	16%	0.164	C	C	.	.			trans	-70.4	162.5	169.4	0	0	0	0	0	111.9	G240 G242 H290 D291 A292	G240-G288 CarbonylContact O-C 3.42Å; G240-G288 WeakPolarHBondContact O-CA 3.36Å; G242-G288 WeakPolarHBondContact O-CA 3.17Å; G288-H290 VanDerWaalsContact C-N 3.34Å; G288-H290 PolarHBondContact O-N 3.06Å; G288-D291 PolarHBondContact O-N 2.98Å; G288-A292 PolarHBondContact O-N 3.01Å
289	Y	98.3	Very high	97.4	Very high	24 Å²	24	32.1 Å²	32.1	9%	0.094	15%	0.152	C	C	.	.	H	α-helix	trans	-75.3	-20.5	-176.2	64.4	-109.4	0	0	0	114.1	S219 P221 L238 G240 E293 L313	S219-Y289 WeakPolarHBondContact O-CB 3.44Å; S219-Y289 WeakPolarHBondContact O-CD1 3.33Å; P221-Y289 HydrophobicContact CG-CD1 4Å; P221-Y289 HydrophobicContact CG-CD2 3.79Å; P221-Y289 HydrophobicContact CG-CE1 4.27Å; P221-Y289 HydrophobicContact CG-CE2 4.1Å; P221-Y289 HydrophobicContact CG-CG 3.74Å; L238-Y289 HydrophobicContact CB-CE1 4.39Å; L238-Y289 HydrophobicContact CD2-CD1 4.16Å; L238-Y289 HydrophobicContact CD2-CE1 4.29Å; L238-Y289 HydrophobicContact CG-CD1 4.43Å; L238-Y289 HydrophobicContact CG-CE1 4.1Å; L238-Y289 WeakPolarHBondContact O-CE1 3.43Å; L238-Y289 PolarHBondContact O-OH 2.93Å; G240-Y289 WeakPolarHBondContact CA-OH 3.36Å; G240-Y289 VanDerWaalsContact N-CZ 3.32Å; G240-Y289 PolarHBondContact N-OH 3.4Å; G240-Y289 PolarHBondContact O-N 2.84Å; Y289-E293 WeakPolarHBondContact O-CB 3.48Å; Y289-E293 PolarHBondContact O-N 2.59Å; Y289-L313 HydrophobicContact CD2-CD2 4.14Å
290	H	97.8	Very high	97.3	Very high	108 Å²	108	30.8 Å²	30.8	50%	0.5	15%	0.146	S	C	.	.	H	α-helix	trans	-63.2	-45.6	168.9	-72.7	174.3	0	0	0	111.3	G240 G288 E293 V294	G240-H290 PolarHBondContact O-N 3.4Å; G288-H290 VanDerWaalsContact C-N 3.34Å; G288-H290 PolarHBondContact O-N 3.06Å; H290-E293 WeakPolarHBondContact O-CB 3.41Å; H290-E293 PolarHBondContact O-N 3.13Å; H290-V294 PolarHBondContact O-N 3.3Å
291	D	98.3	Very high	97.2	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-38.8	177.7	-71.9	-18.2	0	0	0	111.2	F129 T131 S132 I287 G288 E293 V294 L295	F129-D291 HydrophobicContact CZ-CB 4.23Å; T131-D291 WeakPolarHBondContact CB-OD2 3.46Å; T131-D291 HydrophobicContact CG2-CB 3.98Å; S132-D291 WeakPolarHBondContact CB-OD2 3.24Å; S132-D291 PolarHBondContact N-OD2 2.68Å; S132-D291 PolarHBondContact OG-OD2 2.73Å; S132-D291 VanDerWaalsContact OG-OD2 3.13Å; I287-D291 HydrophobicContact CB-CB 4.26Å; I287-D291 HydrophobicContact CD1-CB 4.26Å; G288-D291 PolarHBondContact O-N 2.98Å; D291-E293 VanDerWaalsContact C-N 3.31Å; D291-E293 PolarHBondContact O-N 2.71Å; D291-V294 PolarHBondContact O-N 2.83Å; D291-L295 PolarHBondContact O-N 3.29Å
292	A	98.4	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-36.9	174.5	0	0	0	0	0	112.3	Y218 I287 G288 V294 L295 L296 L313	Y218-A292 HydrophobicContact CD1-CB 4.24Å; Y218-A292 HydrophobicContact CD2-CB 3.3Å; Y218-A292 HydrophobicContact CE2-CB 3.95Å; Y218-A292 HydrophobicContact CG-CB 3.49Å; Y218-A292 VanDerWaalsContact CG-CB 3.49Å; I287-A292 HydrophobicContact CD1-CB 3.87Å; I287-A292 HydrophobicContact CG1-CB 4.31Å; G288-A292 PolarHBondContact O-N 3.01Å; A292-V294 VanDerWaalsContact C-N 3.32Å; A292-V294 PolarHBondContact O-N 2.89Å; A292-L295 PolarHBondContact O-N 3.16Å; A292-L296 WeakPolarHBondContact O-CB 3.42Å; A292-L296 VanDerWaalsContact O-CG 3.25Å; A292-L296 WeakPolarHBondContact O-CG 3.28Å; A292-L296 PolarHBondContact O-N 3.47Å; A292-L313 HydrophobicContact CB-CD1 4.38Å
293	E	98.4	Very high	97.2	Very high	37 Å²	37	29.1 Å²	29.1	17%	0.173	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-43.1	175.7	-164.1	-175.5	141.3	0	0	111.4	Y289 H290 D291 L295 L296 R297 L313 V315	Y289-E293 WeakPolarHBondContact O-CB 3.48Å; Y289-E293 PolarHBondContact O-N 2.59Å; H290-E293 WeakPolarHBondContact O-CB 3.41Å; H290-E293 PolarHBondContact O-N 3.13Å; D291-E293 VanDerWaalsContact C-N 3.31Å; D291-E293 PolarHBondContact O-N 2.71Å; E293-L295 PolarHBondContact O-N 3.04Å; E293-L296 PolarHBondContact O-N 3.37Å; E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 PolarHBondContact O-N 3.07Å; E293-R297 IonicContact OE1-CZ 2.99Å; E293-R297 IonicContact OE1-NE 3.51Å; E293-R297 IonicContact OE1-NH2 3.31Å; E293-R297 PolarHBondContact OE1-NH2 2.85Å; E293-L313 HydrophobicContact CB-CD1 4.37Å; E293-L313 HydrophobicContact CB-CD2 4.25Å; E293-L313 HydrophobicContact CG-CB 4.45Å; E293-L313 HydrophobicContact CG-CD2 4.5Å; E293-V315 HydrophobicContact CG-CG1 3.69Å
294	V	97	Very high	97.2	Very high	55 Å²	55	29.4 Å²	29.4	33%	0.333	17%	0.171	S	C	.	.	H	α-helix	trans	-60.5	-45.7	177.1	178.9	0	0	0	0	111	F129 H290 D291 A292	F129-V294 HydrophobicContact CD1-CG1 3.87Å; F129-V294 HydrophobicContact CD2-CG1 3.82Å; F129-V294 HydrophobicContact CE1-CB 4.12Å; F129-V294 HydrophobicContact CE1-CG1 3.95Å; F129-V294 HydrophobicContact CE2-CB 4.14Å; F129-V294 HydrophobicContact CE2-CG1 3.92Å; F129-V294 HydrophobicContact CE2-CG2 4.04Å; F129-V294 HydrophobicContact CG-CG1 3.79Å; F129-V294 HydrophobicContact CZ-CB 3.91Å; F129-V294 HydrophobicContact CZ-CG1 3.98Å; F129-V294 HydrophobicContact CZ-CG2 4.16Å; H290-V294 PolarHBondContact O-N 3.3Å; D291-V294 PolarHBondContact O-N 2.83Å; A292-V294 VanDerWaalsContact C-N 3.32Å; A292-V294 PolarHBondContact O-N 2.89Å
295	L	97.1	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-40.9	177.8	-64.3	179.6	0	0	0	112.2	I118 V120 F129 L164 I192 I216 I287 D291 A292 E293 F323 V332	I118-L295 HydrophobicContact CG2-CD1 4.19Å; V120-L295 HydrophobicContact CG2-CD2 3.49Å; V120-L295 VanDerWaalsContact CG2-CD2 3.49Å; F129-L295 HydrophobicContact CD1-CD2 4.34Å; F129-L295 HydrophobicContact CE1-CD2 4.28Å; F129-L295 HydrophobicContact CE1-CG 4.5Å; L164-L295 HydrophobicContact CD2-CB 4.14Å; I192-L295 HydrophobicContact CD1-CD1 4.29Å; I216-L295 HydrophobicContact CD1-CD1 4.08Å; I287-L295 HydrophobicContact CD1-CD1 3.71Å; D291-L295 PolarHBondContact O-N 3.29Å; A292-L295 PolarHBondContact O-N 3.16Å; E293-L295 PolarHBondContact O-N 3.04Å; L295-F323 WeakPolarHBondContact O-CE1 3.31Å; L295-V332 HydrophobicContact CD2-CG2 4.43Å
296	L	97.9	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-81.9	-21.6	-174.6	-66.8	173.5	0	0	0	113.5	Y166 I192 Y218 A292 E293 A298 M299 L313 V315 Y317	Y166-L296 HydrophobicContact CD2-CD2 4.1Å; Y166-L296 HydrophobicContact CG-CD2 4.38Å; I192-L296 HydrophobicContact CD1-CD2 4.23Å; I192-L296 HydrophobicContact CD1-CG 4.3Å; I192-L296 HydrophobicContact CG2-CD2 3.89Å; Y218-L296 HydrophobicContact CE1-CD1 4.17Å; Y218-L296 HydrophobicContact CE2-CD1 4.32Å; A292-L296 WeakPolarHBondContact O-CB 3.42Å; A292-L296 VanDerWaalsContact O-CG 3.25Å; A292-L296 WeakPolarHBondContact O-CG 3.28Å; A292-L296 PolarHBondContact O-N 3.47Å; E293-L296 PolarHBondContact O-N 3.37Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-A298 PolarHBondContact O-N 2.9Å; L296-M299 HydrophobicContact CD2-CG 4.17Å; L296-M299 WeakPolarHBondContact O-CB 3.49Å; L296-M299 WeakPolarHBondContact O-CG 3.35Å; L296-M299 PolarHBondContact O-N 3.26Å; L296-L313 HydrophobicContact CD1-CD1 4.07Å; L296-V315 HydrophobicContact CB-CB 4.34Å; L296-V315 HydrophobicContact CB-CG1 4.31Å; L296-V315 HydrophobicContact CB-CG2 3.91Å; L296-Y317 HydrophobicContact CD1-CE1 4.28Å
297	R	95.4	Very high	96.7	Very high	148 Å²	148	39 Å²	39	56%	0.558	23%	0.234	S	C	*	.	H	α-helix	trans	-62.3	-37.7	-174.8	-174.1	179.4	-64.1	160.1	0.1	113.5	E293 V315	E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 PolarHBondContact O-N 3.07Å; E293-R297 IonicContact OE1-CZ 2.99Å; E293-R297 IonicContact OE1-NE 3.51Å; E293-R297 IonicContact OE1-NH2 3.31Å; E293-R297 PolarHBondContact OE1-NH2 2.85Å; R297-V315 HydrophobicContact CB-CG1 3.93Å
298	A	91.3	Very high	96.6	Very high	24 Å²	24	41.7 Å²	41.7	20%	0.198	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.7	-176.4	0	0	0	0	0	113.6	L296 G300 F323 A324 F327	L296-A298 VanDerWaalsContact C-N 3.34Å; L296-A298 PolarHBondContact O-N 2.9Å; A298-G300 PolarHBondContact O-N 2.9Å; A298-F323 HydrophobicContact CB-CB 4.4Å; A298-F323 HydrophobicContact CB-CD1 3.82Å; A298-F323 HydrophobicContact CB-CG 4.38Å; A298-F323 CarbonylContact O-C 3.52Å; A298-F323 VanDerWaalsContact O-CA 3.24Å; A298-F323 WeakPolarHBondContact O-CA 3.04Å; A298-F323 WeakPolarHBondContact O-CB 3.39Å; A298-A324 PolarHBondContact O-N 3.07Å; A298-F327 HydrophobicContact CB-CD2 3.73Å; A298-F327 HydrophobicContact CB-CE2 4.28Å; A298-F327 HydrophobicContact CB-CG 4.37Å
299	M	95.9	Very high	96.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-58.5	128.3	-176.1	-75.5	-70.3	-69.6	0	0	112.1	L164 L296 N318 I319 F323	L164-M299 HydrophobicContact CB-CE 4.38Å; L164-M299 HydrophobicContact CB-SD 3.85Å; L164-M299 HydrophobicContact CD2-SD 3.71Å; L164-M299 HydrophobicContact CG-CE 4.34Å; L164-M299 HydrophobicContact CG-SD 3.92Å; L164-M299 WeakPolarHBondContact O-CE 3.5Å; L296-M299 HydrophobicContact CD2-CG 4.17Å; L296-M299 WeakPolarHBondContact O-CB 3.49Å; L296-M299 WeakPolarHBondContact O-CG 3.35Å; L296-M299 PolarHBondContact O-N 3.26Å; M299-N318 HydrophobicContact CB-CB 4.12Å; M299-N318 WeakPolarHBondContact O-CB 3.34Å; M299-N318 PolarHBondContact O-ND2 2.91Å; M299-I319 WeakPolarHBondContact CE-O 3.14Å; M299-F323 HydrophobicContact SD-CD1 4.39Å; M299-F323 HydrophobicContact SD-CE1 4.28Å
300	G	95.1	Very high	96.5	Very high	6 Å²	6	46 Å²	46	6%	0.062	27%	0.272	C	S	.	.			trans	-91	-158.6	173.1	0	0	0	0	0	112.6	A298 N318 G320 G322	A298-G300 PolarHBondContact O-N 2.9Å; G300-N318 WeakPolarHBondContact O-CB 3.4Å; G300-G320 VanDerWaalsContact O-CA 3.26Å; G300-G320 WeakPolarHBondContact O-CA 3.45Å; G300-G320 PolarHBondContact O-N 2.88Å; G300-G322 PolarHBondContact N-O 3.1Å
301	G	95.4	Very high	96.5	Very high	49 Å²	49	41.6 Å²	41.6	51%	0.505	26%	0.256	S	S	.	.	S	Bend	trans	75	-169.6	-179.2	0	0	0	0	0	114.2
302	P	96.9	Very high	96.4	Very high	57 Å²	57	44.7 Å²	44.7	37%	0.37	28%	0.279	S	S	.	.	S	Bend	trans	-66.3	153.2	-178.9	28.2	-32.1	0	0	0	111.5	M182 I184 N318 I319 G320	M182-P302 HydrophobicContact CE-CB 4.42Å; M182-P302 HydrophobicContact CE-CG 4.01Å; I184-P302 HydrophobicContact CD1-CG 4.08Å; P302-N318 WeakPolarHBondContact O-CA 3.24Å; P302-I319 HydrophobicContact CG-CB 4.25Å; P302-I319 PolarHBondContact O-N 3.06Å; P302-G320 VanDerWaalsContact CD-O 3.27Å; P302-G320 WeakPolarHBondContact CD-O 3.17Å
303	A	96.7	Very high	96.3	Very high	62 Å²	62	45.5 Å²	45.5	51%	0.512	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-61.9	158.7	172.2	0	0	0	0	0	111.3
304	A	96.6	Very high	96.3	Very high	14 Å²	14	50.5 Å²	50.5	12%	0.116	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-49.4	132.5	170.2	0	0	0	0	0	110.9	D306 W309 K310 Y317	A304-D306 VanDerWaalsContact C-N 3.28Å; A304-D306 PolarHBondContact O-N 3.04Å; A304-W309 HydrophobicContact CB-CB 3.93Å; A304-K310 HydrophobicContact CB-CG 4.02Å; A304-Y317 WeakPolarHBondContact CB-O 3.13Å
305	P	95.8	Very high	96.3	Very high	49 Å²	49	49.1 Å²	49.1	32%	0.318	30%	0.303	S	S	.	.	S	Bend	trans	-67.1	-28.1	-171.2	26.1	-35.7	0	0	0	113.5	K177 M182 W309	K177-P305 HydrophobicContact CD-CG 4.25Å; M182-P305 HydrophobicContact CE-CB 4.31Å; M182-P305 HydrophobicContact CE-CG 4.42Å; M182-P305 HydrophobicContact SD-CB 3.91Å; M182-P305 HydrophobicContact SD-CG 3.81Å; P305-W309 HydrophobicContact CG-CB 4.41Å; P305-W309 HydrophobicContact CG-CD2 3.69Å; P305-W309 HydrophobicContact CG-CE3 4.35Å; P305-W309 HydrophobicContact CG-CG 3.67Å
306	D	95.8	Very high	96.2	Very high	54 Å²	54	51.5 Å²	51.5	29%	0.289	32%	0.32	S	S	.	.	S	Bend	trans	-158.9	175.1	176.6	59.5	68.2	0	0	0	111	K177 A304 S308 W309	K177-D306 IonicContact NZ-OD2 2.76Å; K177-D306 PolarHBondContact NZ-OD2 2.76Å; A304-D306 VanDerWaalsContact C-N 3.28Å; A304-D306 PolarHBondContact O-N 3.04Å; D306-S308 PolarHBondContact O-N 3.18Å; D306-S308 WeakPolarHBondContact OD1-CA 3.26Å; D306-S308 WeakPolarHBondContact OD1-CB 3.48Å; D306-S308 PolarHBondContact OD1-N 2.82Å; D306-S308 PolarHBondContact OD1-OG 3.18Å; D306-W309 PolarHBondContact O-N 2.64Å
307	S	95.6	Very high	96.2	Very high	107 Å²	107	51.6 Å²	51.6	75%	0.748	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64	-21.6	-177.5	57.8	0	0	0	0	113.8	W309 K310	S307-W309 PolarHBondContact O-N 2.72Å; S307-K310 PolarHBondContact O-N 3.13Å
308	S	95.8	Very high	96.3	Very high	61 Å²	61	46.3 Å²	46.3	43%	0.427	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-73.1	-11.4	178.4	81.4	0	0	0	0	113.3	R194 D306	R194-S308 PolarHBondContact NH2-O 2.8Å; D306-S308 PolarHBondContact O-N 3.18Å; D306-S308 WeakPolarHBondContact OD1-CA 3.26Å; D306-S308 WeakPolarHBondContact OD1-CB 3.48Å; D306-S308 PolarHBondContact OD1-N 2.82Å; D306-S308 PolarHBondContact OD1-OG 3.18Å
309	W	97.8	Very high	96.6	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.011	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-92.9	-9.1	173.2	-76.9	63.4	0	0	0	113	Y166 N168 D174 K177 L178 A304 P305 D306 S307 I319	Y166-W309 HydrophobicContact CD1-CE3 4.18Å; Y166-W309 HydrophobicContact CE1-CE3 4.05Å; Y166-W309 WeakPolarHBondContact CE1-O 3.44Å; Y166-W309 PolarHBondContact OH-O 3.48Å; Y166-W309 VanDerWaalsContact OH-O 3.04Å; N168-W309 HydrophobicContact CB-CD2 3.6Å; N168-W309 HydrophobicContact CB-CE3 3.56Å; N168-W309 HydrophobicContact CB-CG 4.21Å; N168-W309 HydrophobicContact CB-CH2 3.87Å; N168-W309 HydrophobicContact CB-CZ2 3.95Å; N168-W309 HydrophobicContact CB-CZ3 3.7Å; D174-W309 HydrophobicContact CB-CH2 4.04Å; D174-W309 HydrophobicContact CB-CZ2 3.92Å; K177-W309 HydrophobicContact CB-CZ2 4.39Å; K177-W309 HydrophobicContact CD-CZ2 4.36Å; L178-W309 HydrophobicContact CD1-CH2 4.02Å; L178-W309 HydrophobicContact CD1-CZ3 4.49Å; L178-W309 HydrophobicContact CD2-CH2 3.9Å; L178-W309 HydrophobicContact CD2-CZ3 4.05Å; L178-W309 HydrophobicContact CG-CH2 3.75Å; L178-W309 HydrophobicContact CG-CZ3 4.36Å; A304-W309 HydrophobicContact CB-CB 3.93Å; P305-W309 HydrophobicContact CG-CB 4.41Å; P305-W309 HydrophobicContact CG-CD2 3.69Å; P305-W309 HydrophobicContact CG-CE3 4.35Å; P305-W309 HydrophobicContact CG-CG 3.67Å; D306-W309 PolarHBondContact O-N 2.64Å; S307-W309 PolarHBondContact O-N 2.72Å; W309-I319 HydrophobicContact CE3-CD1 3.51Å; W309-I319 HydrophobicContact CZ3-CD1 3.8Å
310	K	97.7	Very high	96.7	Very high	112 Å²	112	45 Å²	45	49%	0.487	29%	0.293	S	S	.	.			trans	-90	136.1	176.1	-62.2	-170.4	175.1	-173.6	0	109.9	R194 A304 S307 Y317	R194-K310 PolarHBondContact NH1-O 2.9Å; R194-K310 PolarHBondContact NH2-O 3.11Å; A304-K310 HydrophobicContact CB-CG 4.02Å; S307-K310 PolarHBondContact O-N 3.13Å; K310-Y317 HydrophobicContact CB-CD2 4.26Å; K310-Y317 HydrophobicContact CG-CD2 4.4Å
311	G	96.6	Very high	96.8	Very high	17 Å²	17	47.8 Å²	47.8	18%	0.175	31%	0.309	C	S	.	.			trans	-97.2	-151.8	167.5	0	0	0	0	0	111	D220 Y317	D220-G311 WeakPolarHBondContact OD1-CA 3.45Å; G311-Y317 VanDerWaalsContact CA-CZ 3.42Å; G311-Y317 WeakPolarHBondContact CA-OH 3.3Å; G311-Y317 PolarHBondContact N-OH 3.4Å
312	S	96.6	Very high	96.8	Very high	82 Å²	82	45.7 Å²	45.7	57%	0.573	29%	0.288	S	S	*	.	S	Bend	trans	-113.1	11.9	-177.1	-64.5	0	0	0	0	114	D220 A222 Y317	D220-S312 PolarHBondContact OD1-N 3.48Å; A222-S312 WeakPolarHBondContact CB-OG 3.18Å; S312-Y317 PolarHBondContact N-OH 3.16Å; S312-Y317 VanDerWaalsContact N-OH 3.12Å
313	L	97.8	Very high	96.7	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	27%	0.273	C	S	.	.	S	Bend	trans	-75.9	153.2	171	-63.4	173.9	0	0	0	111.1	Y218 P221 Y289 A292 E293 L296 V315 Y317	Y218-L313 HydrophobicContact CE2-CD1 3.85Å; P221-L313 HydrophobicContact CG-CD2 3.94Å; Y289-L313 HydrophobicContact CD2-CD2 4.14Å; A292-L313 HydrophobicContact CB-CD1 4.38Å; E293-L313 HydrophobicContact CB-CD1 4.37Å; E293-L313 HydrophobicContact CB-CD2 4.25Å; E293-L313 HydrophobicContact CG-CB 4.45Å; E293-L313 HydrophobicContact CG-CD2 4.5Å; L296-L313 HydrophobicContact CD1-CD1 4.07Å; L313-V315 HydrophobicContact CB-CG2 3.92Å; L313-V315 PolarHBondContact O-N 3.19Å; L313-Y317 HydrophobicContact CB-CE2 4.29Å; L313-Y317 VanDerWaalsContact CB-OH 3.22Å; L313-Y317 WeakPolarHBondContact CB-OH 3.43Å; L313-Y317 WeakPolarHBondContact CG-OH 3.43Å; L313-Y317 PolarHBondContact N-OH 3.27Å
314	N	96.7	Very high	96.5	Very high	142 Å²	142	41.9 Å²	41.9	76%	0.759	26%	0.258	S	S	*	.	S	Bend	trans	-79.9	60.6	177.3	-169.9	27.3	0	0	0	112.1
315	V	97.2	Very high	96.1	Very high	26 Å²	26	49 Å²	49	16%	0.158	29%	0.289	C	S	.	.	S	Bend	trans	-140.6	165.3	-177.9	-58.4	0	0	0	0	111	E293 L296 R297 L313 Y317	E293-V315 HydrophobicContact CG-CG1 3.69Å; L296-V315 HydrophobicContact CB-CB 4.34Å; L296-V315 HydrophobicContact CB-CG1 4.31Å; L296-V315 HydrophobicContact CB-CG2 3.91Å; R297-V315 HydrophobicContact CB-CG1 3.93Å; L313-V315 HydrophobicContact CB-CG2 3.92Å; L313-V315 PolarHBondContact O-N 3.19Å; V315-Y317 VanDerWaalsContact C-N 3.34Å; V315-Y317 HydrophobicContact CG2-CD1 4.41Å; V315-Y317 HydrophobicContact CG2-CD2 3.68Å; V315-Y317 HydrophobicContact CG2-CE1 4.31Å; V315-Y317 HydrophobicContact CG2-CE2 3.56Å; V315-Y317 HydrophobicContact CG2-CG 4.12Å; V315-Y317 WeakPolarHBondContact O-CD2 3.28Å; V315-Y317 PolarHBondContact O-N 2.92Å
316	S	95.4	Very high	95.5	Very high	50 Å²	50	55.1 Å²	55.1	35%	0.35	31%	0.313	S	S	.	.			trans	-74	-22.8	-178.3	57.3	0	0	0	0	114.2	N318	S316-N318 VanDerWaalsContact C-N 3.25Å; S316-N318 WeakPolarHBondContact CB-OD1 3.48Å; S316-N318 PolarHBondContact O-N 3.13Å; S316-N318 VanDerWaalsContact OG-CG 3.23Å; S316-N318 PolarHBondContact OG-N 3.26Å; S316-N318 PolarHBondContact OG-ND2 3.14Å; S316-N318 PolarHBondContact OG-OD1 3.27Å
317	Y	97.9	Very high	95.1	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.012	32%	0.315	C	S	.	.			trans	57	36.5	-168.6	-67.4	-91.5	0	0	0	112.9	Y166 D220 L296 A304 K310 G311 S312 L313 V315	Y166-Y317 AromaticContact CE1-CD1 3.92Å; Y166-Y317 HydrophobicContact CE1-CD1 3.92Å; Y166-Y317 HydrophobicContact CE2-CD1 4.35Å; Y166-Y317 AromaticContact CZ-CD1 3.78Å; D220-Y317 WeakPolarHBondContact OD2-CE1 3.4Å; D220-Y317 PolarHBondContact OD2-OH 3.3Å; L296-Y317 HydrophobicContact CD1-CE1 4.28Å; A304-Y317 WeakPolarHBondContact CB-O 3.13Å; K310-Y317 HydrophobicContact CB-CD2 4.26Å; K310-Y317 HydrophobicContact CG-CD2 4.4Å; G311-Y317 VanDerWaalsContact CA-CZ 3.42Å; G311-Y317 WeakPolarHBondContact CA-OH 3.3Å; G311-Y317 PolarHBondContact N-OH 3.4Å; S312-Y317 PolarHBondContact N-OH 3.16Å; S312-Y317 VanDerWaalsContact N-OH 3.12Å; L313-Y317 HydrophobicContact CB-CE2 4.29Å; L313-Y317 VanDerWaalsContact CB-OH 3.22Å; L313-Y317 WeakPolarHBondContact CB-OH 3.43Å; L313-Y317 WeakPolarHBondContact CG-OH 3.43Å; L313-Y317 PolarHBondContact N-OH 3.27Å; V315-Y317 VanDerWaalsContact C-N 3.34Å; V315-Y317 HydrophobicContact CG2-CD1 4.41Å; V315-Y317 HydrophobicContact CG2-CD2 3.68Å; V315-Y317 HydrophobicContact CG2-CE1 4.31Å; V315-Y317 HydrophobicContact CG2-CE2 3.56Å; V315-Y317 HydrophobicContact CG2-CG 4.12Å; V315-Y317 WeakPolarHBondContact O-CD2 3.28Å; V315-Y317 PolarHBondContact O-N 2.92Å
318	N	97.8	Very high	94.8	Very high	36 Å²	36	55 Å²	55	19%	0.193	31%	0.306	C	S	.	.			trans	-61.8	149.8	171.1	-66.6	-8.1	0	0	0	110.8	M299 G300 P302 S316	M299-N318 HydrophobicContact CB-CB 4.12Å; M299-N318 WeakPolarHBondContact O-CB 3.34Å; M299-N318 PolarHBondContact O-ND2 2.91Å; G300-N318 WeakPolarHBondContact O-CB 3.4Å; P302-N318 WeakPolarHBondContact O-CA 3.24Å; S316-N318 VanDerWaalsContact C-N 3.25Å; S316-N318 WeakPolarHBondContact CB-OD1 3.48Å; S316-N318 PolarHBondContact O-N 3.13Å; S316-N318 VanDerWaalsContact OG-CG 3.23Å; S316-N318 PolarHBondContact OG-N 3.26Å; S316-N318 PolarHBondContact OG-ND2 3.14Å; S316-N318 PolarHBondContact OG-OD1 3.27Å
319	I	98.3	Very high	94.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.309	C	S	.	.			trans	-81	-25.8	-169.2	-58.6	-48.9	0	0	0	112.9	V165 Y166 L178 M182 I184 M299 P302 W309	V165-I319 CarbonylContact C-O 3.49Å; V165-I319 VanDerWaalsContact CA-O 3.27Å; V165-I319 WeakPolarHBondContact CA-O 3.28Å; V165-I319 HydrophobicContact CG1-CG2 4.18Å; V165-I319 WeakPolarHBondContact CG1-O 3.34Å; Y166-I319 HydrophobicContact CD1-CD1 3.92Å; Y166-I319 PolarHBondContact N-O 3.27Å; L178-I319 HydrophobicContact CD2-CG2 3.49Å; L178-I319 VanDerWaalsContact CD2-CG2 3.49Å; M182-I319 HydrophobicContact CE-CB 4.39Å; M182-I319 HydrophobicContact CE-CG1 3.65Å; I184-I319 HydrophobicContact CG1-CG2 4.13Å; I184-I319 HydrophobicContact CG2-CG2 4.37Å; M299-I319 WeakPolarHBondContact CE-O 3.14Å; P302-I319 HydrophobicContact CG-CB 4.25Å; P302-I319 PolarHBondContact O-N 3.06Å; W309-I319 HydrophobicContact CE3-CD1 3.51Å; W309-I319 HydrophobicContact CZ3-CD1 3.8Å
320	G	97	Very high	94.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.322	C	S	.	.			trans	84.2	-167.1	-165.9	0	0	0	0	0	112.1	G300 P302	G300-G320 VanDerWaalsContact O-CA 3.26Å; G300-G320 WeakPolarHBondContact O-CA 3.45Å; G300-G320 PolarHBondContact O-N 2.88Å; P302-G320 VanDerWaalsContact CD-O 3.27Å; P302-G320 WeakPolarHBondContact CD-O 3.17Å
321	P	96.4	Very high	94.4	Very high	63 Å²	63	58.1 Å²	58.1	41%	0.409	32%	0.317	S	S	.	.	S	Bend	cis	-75.9	145.1	9.7	30.1	-35	0	0	0	113.3	D163 L164 V165 K189	D163-P321 HydrophobicContact CB-CB 4.11Å; L164-P321 WeakPolarHBondContact O-CA 2.96Å; V165-P321 HydrophobicContact CG2-CB 4Å; K189-P321 HydrophobicContact CD-CB 4.27Å
322	G	95.9	Very high	94.4	Very high	5 Å²	5	57.3 Å²	57.3	5%	0.052	31%	0.309	C	S	.	.	S	Bend	trans	79.2	-173	169.4	0	0	0	0	0	114.1	L164 G300	L164-G322 PolarHBondContact O-N 2.87Å; G300-G322 PolarHBondContact N-O 3.1Å
323	F	96.3	Very high	94.5	Very high	16 Å²	16	55 Å²	55	7%	0.07	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-98	156.6	-176.5	-57	-65.6	0	0	0	112.5	V120 L295 A298 M299 F327 S328 R330 V332	V120-F323 HydrophobicContact CG1-CE2 3.87Å; V120-F323 HydrophobicContact CG1-CZ 4.22Å; V120-F323 HydrophobicContact CG2-CZ 4.18Å; L295-F323 WeakPolarHBondContact O-CE1 3.31Å; A298-F323 HydrophobicContact CB-CB 4.4Å; A298-F323 HydrophobicContact CB-CD1 3.82Å; A298-F323 HydrophobicContact CB-CG 4.38Å; A298-F323 CarbonylContact O-C 3.52Å; A298-F323 VanDerWaalsContact O-CA 3.24Å; A298-F323 WeakPolarHBondContact O-CA 3.04Å; A298-F323 WeakPolarHBondContact O-CB 3.39Å; M299-F323 HydrophobicContact SD-CD1 4.39Å; M299-F323 HydrophobicContact SD-CE1 4.28Å; F323-F327 HydrophobicContact CB-CB 3.66Å; F323-F327 WeakPolarHBondContact CB-O 3.17Å; F323-F327 HydrophobicContact CG-CB 4.47Å; F323-S328 WeakPolarHBondContact O-CA 3.21Å; F323-R330 HydrophobicContact CD2-CB 3.7Å; F323-R330 WeakPolarHBondContact CD2-O 3.05Å; F323-R330 HydrophobicContact CE2-CB 4.08Å; F323-V332 HydrophobicContact CE2-CG2 4.08Å; F323-V332 HydrophobicContact CZ-CG2 3.66Å
324	A	92.1	Very high	94.6	Very high	23 Å²	23	54.2 Å²	54.2	19%	0.19	28%	0.283	C	S	.	.			trans	-86.9	161.4	-178.5	0	0	0	0	0	113.5	A298 H326 F327	A298-A324 PolarHBondContact O-N 3.07Å; A324-H326 PolarHBondContact O-N 3Å; A324-F327 WeakPolarHBondContact O-CB 3.44Å; A324-F327 PolarHBondContact O-N 3.08Å
325	H	87.8	Confident	94.6	Very high	165 Å²	165	48.9 Å²	48.9	76%	0.764	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	53.6	-130.8	166.9	-54	-71.9	0	0	0	113.8	F327 S328	H325-F327 PolarHBondContact O-N 3.5Å; H325-S328 WeakPolarHBondContact O-CB 3.43Å; H325-S328 PolarHBondContact O-N 2.63Å; H325-S328 VanDerWaalsContact O-N 3.09Å; H325-S328 PolarHBondContact O-OG 3.26Å
326	H	82.9	Confident	94.7	Very high	176 Å²	176	47.7 Å²	47.7	82%	0.815	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-62.4	-5.7	180	-57	-64	0	0	0	113.9	A324	A324-H326 PolarHBondContact O-N 3Å
327	F	88.2	Confident	94.8	Very high	78 Å²	78	47 Å²	47	34%	0.342	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-103.9	0.6	178.7	-52.7	-49.7	0	0	0	113.2	A298 F323 A324 H325 T329 R330	A298-F327 HydrophobicContact CB-CD2 3.73Å; A298-F327 HydrophobicContact CB-CE2 4.28Å; A298-F327 HydrophobicContact CB-CG 4.37Å; F323-F327 HydrophobicContact CB-CB 3.66Å; F323-F327 WeakPolarHBondContact CB-O 3.17Å; F323-F327 HydrophobicContact CG-CB 4.47Å; A324-F327 WeakPolarHBondContact O-CB 3.44Å; A324-F327 PolarHBondContact O-N 3.08Å; H325-F327 PolarHBondContact O-N 3.5Å; F327-T329 PolarHBondContact O-N 2.69Å; F327-T329 VanDerWaalsContact O-N 3.08Å; F327-R330 VanDerWaalsContact CE1-CZ 3.48Å; F327-R330 VanDerWaalsContact O-CB 3.25Å; F327-R330 WeakPolarHBondContact O-CB 3.25Å; F327-R330 PolarHBondContact O-N 2.88Å
328	S	88.7	Confident	94.7	Very high	80 Å²	80	47 Å²	47	56%	0.559	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.8	-172.6	50.8	0	0	0	0	116	F323 H325	F323-S328 WeakPolarHBondContact O-CA 3.21Å; H325-S328 WeakPolarHBondContact O-CB 3.43Å; H325-S328 PolarHBondContact O-N 2.63Å; H325-S328 VanDerWaalsContact O-N 3.09Å; H325-S328 PolarHBondContact O-OG 3.26Å
329	T	90.9	Very high	94.5	Very high	79 Å²	79	48.5 Å²	48.5	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.5	175.3	58	0	0	0	0	113.7	F327	F327-T329 PolarHBondContact O-N 2.69Å; F327-T329 VanDerWaalsContact O-N 3.08Å
330	R	94.9	Very high	94.5	Very high	74 Å²	74	50.7 Å²	50.7	28%	0.279	26%	0.258	S	S	.	.			trans	-76.3	149.3	-177.6	-63.1	177.3	175.7	-172.3	-4.4	111.2	V120 I121 I128 F323 F327	V120-R330 HydrophobicContact CG1-CB 4.06Å; I121-R330 CarbonylContact O-C 3.59Å; I121-R330 WeakPolarHBondContact O-CA 3.35Å; I121-R330 VanDerWaalsContact O-CB 3.27Å; I121-R330 WeakPolarHBondContact O-CB 3.1Å; I128-R330 VanDerWaalsContact CD1-CD 3.5Å; I128-R330 HydrophobicContact CD1-CG 4.38Å; I128-R330 VanDerWaalsContact CD1-NE 3.31Å; F323-R330 HydrophobicContact CD2-CB 3.7Å; F323-R330 WeakPolarHBondContact CD2-O 3.05Å; F323-R330 HydrophobicContact CE2-CB 4.08Å; F327-R330 VanDerWaalsContact CE1-CZ 3.48Å; F327-R330 VanDerWaalsContact O-CB 3.25Å; F327-R330 WeakPolarHBondContact O-CB 3.25Å; F327-R330 PolarHBondContact O-N 2.88Å
331	K	96.6	Very high	94.5	Very high	90 Å²	90	57.3 Å²	57.3	39%	0.391	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	165.3	177	-66.4	-175.8	178.7	-179.1	0	111.1	V120 I121	V120-K331 WeakPolarHBondContact CA-O 3.01Å; I121-K331 HydrophobicContact CD1-CB 4.21Å; I121-K331 HydrophobicContact CG1-CB 3.9Å; I121-K331 PolarHBondContact N-O 2.85Å; I121-K331 PolarHBondContact O-N 2.93Å
332	V	98.1	Very high	94.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.3	169.5	178.8	0	0	0	0	108.6	I118 S119 E161 A162 L164 I190 I216 L295 F323	I118-V332 HydrophobicContact CG2-CG1 3.57Å; S119-V332 CarbonylContact O-C 3.55Å; S119-V332 WeakPolarHBondContact O-CA 3.41Å; E161-V332 VanDerWaalsContact CA-O 3.28Å; E161-V332 WeakPolarHBondContact CA-O 3.35Å; A162-V332 PolarHBondContact N-O 3.42Å; A162-V332 PolarHBondContact O-N 3.41Å; L164-V332 HydrophobicContact CB-CG2 3.94Å; L164-V332 HydrophobicContact CD1-CG2 4.34Å; L164-V332 HydrophobicContact CD2-CG2 4.11Å; L164-V332 HydrophobicContact CG-CG2 4.36Å; I190-V332 HydrophobicContact CD1-CB 4.02Å; I190-V332 HydrophobicContact CD1-CG1 4Å; I190-V332 WeakPolarHBondContact CD1-O 3.42Å; I216-V332 HydrophobicContact CD1-CG1 3.96Å; L295-V332 HydrophobicContact CD2-CG2 4.43Å; F323-V332 HydrophobicContact CE2-CG2 4.08Å; F323-V332 HydrophobicContact CZ-CG2 3.66Å
333	R	98.4	Very high	94.7	Very high	32 Å²	32	58.8 Å²	58.8	12%	0.121	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.7	171.1	-177.6	-172	-70.9	152.6	0.9	109	I118 S119 I121 G125 E127 M159 L160 E161	I118-R333 CarbonylContact C-O 3.57Å; I118-R333 WeakPolarHBondContact CA-O 3.35Å; S119-R333 PolarHBondContact N-O 3.12Å; S119-R333 PolarHBondContact O-N 3.33Å; S119-R333 WeakPolarHBondContact OG-CB 3.27Å; I121-R333 HydrophobicContact CG2-CB 4.17Å; G125-R333 PolarHBondContact O-NH2 3.45Å; E127-R333 IonicContact OE1-NH1 2.76Å; E127-R333 PolarHBondContact OE1-NH1 2.94Å; M159-R333 HydrophobicContact CG-CG 4.05Å; L160-R333 CarbonylContact O-C 3.57Å; L160-R333 VanDerWaalsContact O-CA 3.25Å; L160-R333 WeakPolarHBondContact O-CA 3.25Å; E161-R333 HydrophobicContact CG-CB 3.95Å; E161-R333 HydrophobicContact CG-CG 3.88Å; E161-R333 IonicContact OE1-CZ 3.44Å; E161-R333 IonicContact OE1-NE 2.69Å; E161-R333 PolarHBondContact OE1-NE 3.31Å; E161-R333 IonicContact OE1-NH2 3.88Å; E161-R333 PolarHBondContact OE1-NH2 3.13Å
334	M	98.6	Very high	94.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.7	167.2	-61.2	-174.6	69.9	0	0	108.9	I118 M159 L160 I190 I215 I216 P283 H285 V336	I118-M334 HydrophobicContact CG1-CG 4.23Å; M159-M334 VanDerWaalsContact CA-O 3.25Å; M159-M334 WeakPolarHBondContact CA-O 3.43Å; L160-M334 PolarHBondContact N-O 3.02Å; L160-M334 PolarHBondContact O-N 3.39Å; I190-M334 HydrophobicContact CD1-CG 3.93Å; I190-M334 HydrophobicContact CD1-SD 4.43Å; I190-M334 HydrophobicContact CG1-CG 4.33Å; I190-M334 HydrophobicContact CG1-SD 4.18Å; I190-M334 HydrophobicContact CG2-CG 4.41Å; I190-M334 HydrophobicContact CG2-SD 3.9Å; I215-M334 WeakPolarHBondContact O-CE 3.29Å; I216-M334 HydrophobicContact CG1-CE 4.12Å; I216-M334 HydrophobicContact CG1-SD 4.12Å; P283-M334 HydrophobicContact CB-CE 4.32Å; H285-M334 HydrophobicContact CB-CE 3.97Å; M334-V336 HydrophobicContact CE-CG2 4.34Å
335	H	98.3	Very high	95.2	Very high	31 Å²	31	60.7 Å²	60.7	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	104.4	170.1	-171.6	100.6	0	0	0	108.7	P115 N116 Y117 Q337	P115-H335 PolarHBondContact O-CD2 3.22Å; N116-H335 VanDerWaalsContact CA-O 3.27Å; N116-H335 WeakPolarHBondContact CA-O 3.35Å; Y117-H335 HydrophobicContact CD1-CB 3.89Å; Y117-H335 HydrophobicContact CE1-CB 3.64Å; Y117-H335 AromaticContact CE1-CD2 3.96Å; Y117-H335 AromaticContact CE1-CG 3.69Å; Y117-H335 HydrophobicContact CE2-CB 4.49Å; Y117-H335 HydrophobicContact CG-CB 4.39Å; Y117-H335 PolarHBondContact N-O 3.31Å; Y117-H335 PolarHBondContact O-N 3.32Å; H335-Q337 WeakPolarHBondContact NE2-CG 3.5Å
336	V	98.4	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.1	-178.2	-174.9	0	0	0	0	110.9	N116 S155 Q157 G158 P283 H285 M334	N116-V336 WeakPolarHBondContact OD1-CA 3.42Å; S155-V336 WeakPolarHBondContact OG-CG1 3.33Å; Q157-V336 VanDerWaalsContact CA-O 3.29Å; Q157-V336 WeakPolarHBondContact CA-O 3.48Å; G158-V336 PolarHBondContact N-O 2.98Å; G158-V336 PolarHBondContact O-N 2.87Å; P283-V336 HydrophobicContact CB-CB 4.03Å; P283-V336 HydrophobicContact CB-CG2 3.81Å; H285-V336 HydrophobicContact CB-CG2 4.25Å; M334-V336 HydrophobicContact CE-CG2 4.34Å
337	Q	97.6	Very high	96.5	Very high	36 Å²	36	47 Å²	47	17%	0.168	23%	0.226	C	C	.	.			trans	-123.9	66.1	178.8	-61.7	-64.1	-13.4	0	0	109.3	N111 Q114 N116 H335	N111-Q337 HydrophobicContact CB-CB 4.02Å; N111-Q337 WeakPolarHBondContact CB-O 3.46Å; N111-Q337 PolarHBondContact N-O 3.33Å; Q114-Q337 HydrophobicContact CB-CB 3.98Å; Q114-Q337 HydrophobicContact CB-CG 3.85Å; Q114-Q337 WeakPolarHBondContact O-CB 3.41Å; N116-Q337 PolarHBondContact OD1-N 3.34Å; H335-Q337 WeakPolarHBondContact NE2-CG 3.5Å
338	T	95.1	Very high	97	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133	174.9	-61.2	0	0	0	0	109.2	S108 N116 Y151 Q157	S108-T338 WeakPolarHBondContact OG-CG2 3.32Å; N116-T338 PolarHBondContact ND2-OG1 2.96Å; Y151-T338 HydrophobicContact CD2-CG2 4.02Å; Y151-T338 HydrophobicContact CE2-CG2 4.32Å; Q157-T338 WeakPolarHBondContact CG-O 3.25Å; Q157-T338 PolarHBondContact NE2-O 2.94Å
339	N	94.6	Very high	97.5	Very high	67 Å²	67	40 Å²	40	36%	0.358	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.9	-177.6	-70.4	-53.1	0	0	0	110.8	S108 Y109 Q157	S108-N339 CarbonylContact C-O 3.52Å; S108-N339 VanDerWaalsContact CA-O 3.25Å; S108-N339 WeakPolarHBondContact CA-O 3.44Å; Y109-N339 PolarHBondContact N-O 3.44Å; Y109-N339 PolarHBondContact O-N 3.27Å; Q157-N339 PolarHBondContact NE2-OD1 3.37Å
340	N	97.6	Very high	97.9	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.1	170.3	-62.2	-20	0	0	0	109.1	L106 L107 S108 V273	L106-N340 HydrophobicContact CD1-CB 3.87Å; L106-N340 HydrophobicContact CD2-CB 4.34Å; L106-N340 HydrophobicContact CG-CB 4.23Å; L107-N340 CarbonylContact O-C 3.57Å; L107-N340 VanDerWaalsContact O-CA 3.29Å; L107-N340 WeakPolarHBondContact O-CA 3.22Å; S108-N340 VanDerWaalsContact CB-OD1 3.28Å; S108-N340 WeakPolarHBondContact CB-OD1 3.37Å; S108-N340 PolarHBondContact OG-OD1 2.9Å; V273-N340 HydrophobicContact CG1-CB 4.17Å
341	K	97.2	Very high	98.1	Very high	139 Å²	139	35.4 Å²	35.4	60%	0.604	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.1	-177.5	-176.3	-178.5	174.4	-174.8	0	110.1	L107 T343	L107-K341 PolarHBondContact N-O 3.01Å; L107-K341 PolarHBondContact O-N 3.33Å; K341-T343 PolarHBondContact O-N 3.18Å; K341-T343 PolarHBondContact O-OG1 2.98Å
342	I	98.6	Very high	98.2	Very high	80 Å²	80	31.1 Å²	31.1	41%	0.41	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121	168.9	-61.5	166.7	0	0	0	107.9	D104 V105 L106 L258	D104-I342 HydrophobicContact CB-CG2 3.89Å; V105-I342 CarbonylContact O-C 3.38Å; V105-I342 VanDerWaalsContact O-CA 3.28Å; V105-I342 WeakPolarHBondContact O-CA 3.32Å; L106-I342 HydrophobicContact CD1-CG1 4.31Å; L258-I342 HydrophobicContact CD1-CD1 4.31Å; L258-I342 HydrophobicContact CD1-CG1 4.2Å
343	T	98.8	Very high	98.2	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.6	-174.4	-58.7	0	0	0	0	109.3	V105 L107 K341	V105-T343 PolarHBondContact N-O 3.31Å; V105-T343 PolarHBondContact O-N 2.93Å; L107-T343 HydrophobicContact CD1-CG2 3.93Å; K341-T343 PolarHBondContact O-N 3.18Å; K341-T343 PolarHBondContact O-OG1 2.98Å
344	R	98.9	Very high	98.2	Very high	79 Å²	79	37.6 Å²	37.6	30%	0.298	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.3	177.1	-170.7	162.6	-73.7	-158.9	-8.7	111	H102 Y103 D104 E266 Y346	H102-R344 HydrophobicContact CB-CG 3.99Å; H102-R344 PolarHBondContact NE2-NH1 2.98Å; Y103-R344 CarbonylContact O-C 3.59Å; Y103-R344 WeakPolarHBondContact O-CA 3.41Å; D104-R344 WeakPolarHBondContact OD1-CA 3.37Å; D104-R344 VanDerWaalsContact OD1-CB 3.24Å; D104-R344 WeakPolarHBondContact OD1-CB 3.15Å; D104-R344 WeakPolarHBondContact OD1-CG 3.3Å; D104-R344 IonicContact OD1-CZ 3.72Å; D104-R344 IonicContact OD1-NE 2.87Å; D104-R344 PolarHBondContact OD1-NE 2.97Å; D104-R344 IonicContact OD1-NH2 3.21Å; D104-R344 PolarHBondContact OD1-NH2 2.63Å; D104-R344 IonicContact OD2-CZ 2.83Å; D104-R344 IonicContact OD2-NE 3.99Å; D104-R344 IonicContact OD2-NH2 3.89Å; D104-R344 PolarHBondContact OD2-NH2 2.82Å; E266-R344 IonicContact OE1-CZ 3.21Å; E266-R344 IonicContact OE1-NH1 3.77Å; E266-R344 IonicContact OE1-NH2 2.86Å; E266-R344 PolarHBondContact OE1-NH2 3.39Å; R344-Y346 HydrophobicContact CB-CE2 4.22Å; R344-Y346 VanDerWaalsContact CD-CZ 3.42Å; R344-Y346 WeakPolarHBondContact CD-OH 3.39Å; R344-Y346 HydrophobicContact CG-CD2 4.35Å; R344-Y346 HydrophobicContact CG-CE1 4.13Å; R344-Y346 HydrophobicContact CG-CE2 3.67Å
345	I	98.9	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	156.9	173.3	62.1	163.6	0	0	0	109.8	H102 Y103 V105 L107 D412 A413 L419	H102-I345 WeakPolarHBondContact CA-O 3.41Å; H102-I345 VanDerWaalsContact CB-O 3.29Å; H102-I345 WeakPolarHBondContact CB-O 3.44Å; Y103-I345 HydrophobicContact CD2-CD1 4.44Å; Y103-I345 PolarHBondContact N-O 2.92Å; Y103-I345 WeakPolarHBondContact O-CG1 3.28Å; Y103-I345 PolarHBondContact O-N 3.44Å; V105-I345 HydrophobicContact CG1-CD1 3.87Å; V105-I345 HydrophobicContact CG1-CG1 4.2Å; V105-I345 HydrophobicContact CG2-CB 4.4Å; V105-I345 HydrophobicContact CG2-CD1 3.86Å; V105-I345 HydrophobicContact CG2-CG1 3.93Å; V105-I345 HydrophobicContact CG2-CG2 3.61Å; L107-I345 HydrophobicContact CD1-CG2 3.9Å; I345-D412 WeakPolarHBondContact CA-OD2 3.28Å; I345-D412 HydrophobicContact CB-CB 4.13Å; I345-A413 HydrophobicContact CB-CB 4.41Å; I345-A413 HydrophobicContact CD1-CB 4Å; I345-A413 HydrophobicContact CG2-CB 3.73Å; I345-L419 HydrophobicContact CD1-CB 4.38Å
346	Y	98.9	Very high	98.1	Very high	53 Å²	53	44.7 Å²	44.7	21%	0.208	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	108.5	-175	-61	-93.9	0	0	0	111.9	L80 L100 H102 R344 R368 D412	L80-Y346 HydrophobicContact CD1-CD1 4.09Å; L80-Y346 HydrophobicContact CD1-CD2 3.67Å; L80-Y346 HydrophobicContact CD1-CE1 4.19Å; L80-Y346 HydrophobicContact CD1-CE2 3.76Å; L80-Y346 HydrophobicContact CD1-CG 3.81Å; L80-Y346 HydrophobicContact CD2-CE2 4.05Å; L80-Y346 HydrophobicContact CG-CD2 4.49Å; L80-Y346 HydrophobicContact CG-CE2 4.34Å; L100-Y346 HydrophobicContact CB-CD1 4.37Å; L100-Y346 HydrophobicContact CD1-CD1 4.44Å; H102-Y346 HydrophobicContact CB-CD1 3.76Å; H102-Y346 HydrophobicContact CB-CE1 3.87Å; H102-Y346 HydrophobicContact CB-CG 4.47Å; R344-Y346 HydrophobicContact CB-CE2 4.22Å; R344-Y346 VanDerWaalsContact CD-CZ 3.42Å; R344-Y346 WeakPolarHBondContact CD-OH 3.39Å; R344-Y346 HydrophobicContact CG-CD2 4.35Å; R344-Y346 HydrophobicContact CG-CE1 4.13Å; R344-Y346 HydrophobicContact CG-CE2 3.67Å; Y346-R368 PolarHBondContact O-NH1 3.48Å; Y346-R368 PolarHBondContact O-NH2 2.82Å; Y346-D412 PolarHBondContact N-OD2 3.43Å; Y346-D412 WeakPolarHBondContact O-CB 3.3Å
347	N	98.9	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	149.4	164.9	-62.3	-26.3	0	0	0	109.9	L100 V101 I349 S410 W411 D412 G420	L100-N347 CarbonylContact C-O 3.53Å; L100-N347 VanDerWaalsContact CA-O 3.29Å; L100-N347 WeakPolarHBondContact CA-O 3.31Å; V101-N347 PolarHBondContact N-O 3.25Å; V101-N347 PolarHBondContact O-N 2.87Å; N347-I349 HydrophobicContact CB-CD1 4.19Å; N347-S410 CarbonylContact C-O 3.56Å; N347-S410 VanDerWaalsContact CA-O 3.31Å; N347-S410 WeakPolarHBondContact CA-O 3.11Å; N347-W411 HydrophobicContact CB-CE3 4.06Å; N347-W411 HydrophobicContact CB-CZ3 4.3Å; N347-D412 PolarHBondContact OD1-N 2.81Å; N347-G420 PolarHBondContact ND2-O 3.14Å; N347-G420 WeakPolarHBondContact OD1-CA 3.49Å
348	V	98.9	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.1	165.9	-164.1	0	0	0	0	108.3	A83 I86 Q87 W90 E99 L100 A409 S410	A83-V348 HydrophobicContact CB-CG2 3.97Å; A83-V348 WeakPolarHBondContact O-CG2 3.49Å; I86-V348 HydrophobicContact CB-CG2 4.4Å; I86-V348 HydrophobicContact CG2-CB 4.33Å; I86-V348 HydrophobicContact CG2-CG1 4.23Å; I86-V348 HydrophobicContact CG2-CG2 4.23Å; Q87-V348 HydrophobicContact CB-CG1 3.87Å; Q87-V348 HydrophobicContact CG-CG1 4.32Å; W90-V348 HydrophobicContact CE3-CB 4.5Å; W90-V348 HydrophobicContact CE3-CG1 3.74Å; W90-V348 HydrophobicContact CH2-CB 4.37Å; W90-V348 HydrophobicContact CH2-CG1 4.46Å; W90-V348 HydrophobicContact CZ3-CB 3.99Å; W90-V348 HydrophobicContact CZ3-CG1 3.71Å; W90-V348 WeakPolarHBondContact CZ3-O 3.48Å; E99-V348 CarbonylContact O-C 3.56Å; E99-V348 WeakPolarHBondContact O-CA 3.27Å; L100-V348 HydrophobicContact CD2-CB 4.46Å; L100-V348 HydrophobicContact CD2-CG2 3.79Å; V348-A409 WeakPolarHBondContact O-CA 3.24Å; V348-S410 PolarHBondContact N-O 3.34Å; V348-S410 PolarHBondContact O-N 2.9Å
349	I	98.9	Very high	98.4	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.062	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.6	-179.2	-51.6	-61.4	0	0	0	109.2	A98 E99 V101 N347 I407 A409 W411 W424	A98-I349 CarbonylContact C-O 3.47Å; A98-I349 VanDerWaalsContact CA-O 3.3Å; A98-I349 WeakPolarHBondContact CA-O 3.19Å; E99-I349 PolarHBondContact N-O 3.4Å; E99-I349 PolarHBondContact O-N 3.47Å; V101-I349 HydrophobicContact CB-CG1 4.29Å; V101-I349 HydrophobicContact CG2-CB 4.37Å; V101-I349 HydrophobicContact CG2-CG1 3.7Å; N347-I349 HydrophobicContact CB-CD1 4.19Å; I349-I407 HydrophobicContact CG2-CG2 3.97Å; I349-A409 HydrophobicContact CD1-CB 3.95Å; I349-W411 HydrophobicContact CD1-CE3 4.41Å; I349-W411 HydrophobicContact CD1-CH2 3.85Å; I349-W411 HydrophobicContact CD1-CZ3 3.54Å; I349-W424 HydrophobicContact CD1-CD2 4.39Å; I349-W424 HydrophobicContact CD1-CG 4.46Å; I349-W424 HydrophobicContact CD1-CZ2 4.4Å; I349-W424 HydrophobicContact CG2-CZ2 4.2Å
350	G	98.9	Very high	98.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.6	179.2	0	0	0	0	0	111.3	S97 I407 F408	S97-G350 CarbonylContact O-C 3.29Å; S97-G350 VanDerWaalsContact O-CA 3.28Å; S97-G350 WeakPolarHBondContact O-CA 3.35Å; G350-I407 CarbonylContact O-C 3.53Å; G350-I407 WeakPolarHBondContact O-CA 3.44Å; G350-F408 PolarHBondContact N-O 3.32Å; G350-F408 PolarHBondContact O-N 3.4Å
351	I	98.9	Very high	98.6	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.287	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.9	-177.5	-56.7	-179.1	0	0	0	110.6	D96 S97 T405	D96-I351 WeakPolarHBondContact CB-O 2.94Å; D96-I351 PolarHBondContact N-O 3.47Å; S97-I351 PolarHBondContact O-N 2.97Å; S97-I351 WeakPolarHBondContact OG-CB 3.2Å; I351-T405 HydrophobicContact CG2-CG2 3.83Å
352	L	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	100.2	161.7	-178.6	64.1	0	0	0	108.5	L95 F392 K396 W400 P402 T405 I406 F408	L95-L352 HydrophobicContact CD2-CB 4.29Å; L352-F392 HydrophobicContact CD2-CB 4.35Å; L352-K396 HydrophobicContact CD1-CB 4.09Å; L352-K396 HydrophobicContact CD1-CD 3.4Å; L352-K396 HydrophobicContact CD1-CG 4.05Å; L352-W400 HydrophobicContact CD2-CH2 4.37Å; L352-W400 HydrophobicContact CD2-CZ3 3.8Å; L352-P402 HydrophobicContact CD2-CG 4.04Å; L352-P402 HydrophobicContact CG-CG 4.03Å; L352-T405 WeakPolarHBondContact O-CA 3.5Å; L352-I406 HydrophobicContact CB-CB 4.33Å; L352-I406 HydrophobicContact CD2-CD1 4.32Å; L352-I406 PolarHBondContact N-O 3.39Å; L352-I406 PolarHBondContact O-N 2.77Å; L352-F408 HydrophobicContact CB-CE2 4.27Å
353	R	98.8	Very high	98.7	Very high	162 Å²	162	35.1 Å²	35.1	61%	0.611	17%	0.174	S	C	*	.			trans	-65.5	133.7	-173.8	-173.6	176.4	179.2	175.1	0.8	111.5	D96 P358 R401	D96-R353 VanDerWaalsContact OD2-CB 3.28Å; D96-R353 WeakPolarHBondContact OD2-CB 3.43Å; D96-R353 PolarHBondContact OD2-N 3.39Å; R353-P358 HydrophobicContact CG-CB 4.15Å; R353-R401 PolarHBondContact O-NH1 3.16Å
354	G	98.6	Very high	98.7	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	17%	0.168	C	C	.	.			trans	-70.8	147	175.7	0	0	0	0	0	113.1	P402 R404 T405	G354-P402 CarbonylContact C-O 3.46Å; G354-P402 VanDerWaalsContact CA-O 3.23Å; G354-P402 WeakPolarHBondContact CA-O 3.34Å; G354-R404 VanDerWaalsContact CA-C 3.46Å; G354-R404 WeakPolarHBondContact CA-O 3.29Å; G354-T405 PolarHBondContact N-OG1 3.42Å
355	A	98.1	Very high	98.7	Very high	72 Å²	72	30.4 Å²	30.4	60%	0.595	15%	0.154	S	C	*	.	S	Bend	trans	-87.1	-26.2	-179	0	0	0	0	0	113.9	R401 P402 K403	A355-R401 HydrophobicContact CB-CB 3.83Å; A355-P402 PolarHBondContact N-O 2.91Å; A355-K403 PolarHBondContact N-O 2.97Å
356	M	97.3	Very high	98.7	Very high	108 Å²	108	30.5 Å²	30.5	53%	0.532	16%	0.155	S	C	.	.	S	Bend	trans	-112.3	-49.2	-176.2	-67.7	-175.7	62.3	0	0	112.3	P358 K403 Y581	M356-P358 VanDerWaalsContact O-CD 3.3Å; M356-P358 WeakPolarHBondContact O-CD 3.34Å; M356-K403 HydrophobicContact CB-CB 4.21Å; M356-K403 HydrophobicContact CG-CB 4.45Å; M356-K403 HydrophobicContact CG-CG 4.27Å; M356-K403 PolarHBondContact N-O 2.99Å; M356-K403 HydrophobicContact SD-CB 4.29Å; M356-K403 HydrophobicContact SD-CD 3.72Å; M356-K403 HydrophobicContact SD-CG 3.64Å; M356-Y581 HydrophobicContact CE-CE1 4.01Å; M356-Y581 HydrophobicContact SD-CE1 4.23Å
357	E	98.4	Very high	98.7	Very high	22 Å²	22	28 Å²	28	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	66.3	-177.7	-57	-175	87.2	0	0	109.1	D359 R360 K403 R404 R652	E357-D359 PolarHBondContact O-N 2.67Å; E357-R360 HydrophobicContact CB-CB 4.13Å; E357-R360 HydrophobicContact CB-CG 4.01Å; E357-R360 PolarHBondContact O-N 2.77Å; E357-K403 PolarHBondContact N-O 3.14Å; E357-R404 HydrophobicContact CB-CG 4.14Å; E357-R404 IonicContact OE2-CZ 3.54Å; E357-R404 IonicContact OE2-NE 3.93Å; E357-R404 PolarHBondContact OE2-NE 3.36Å; E357-R404 IonicContact OE2-NH2 3.75Å; E357-R404 PolarHBondContact OE2-NH2 3.07Å; E357-R652 WeakPolarHBondContact OE1-CD 3.48Å; E357-R652 IonicContact OE1-CZ 2.96Å; E357-R652 IonicContact OE1-NE 2.71Å; E357-R652 IonicContact OE1-NH1 3.3Å; E357-R652 PolarHBondContact OE1-NH1 2.95Å
358	P	98.6	Very high	98.7	Very high	49 Å²	49	28.1 Å²	28.1	32%	0.318	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-13.1	-177.8	26.3	-35.2	0	0	0	113.1	R353 M356 Y361 T405	R353-P358 HydrophobicContact CG-CB 4.15Å; M356-P358 VanDerWaalsContact O-CD 3.3Å; M356-P358 WeakPolarHBondContact O-CD 3.34Å; P358-Y361 WeakPolarHBondContact O-CE1 3.36Å; P358-T405 WeakPolarHBondContact CA-OG1 3.44Å; P358-T405 PolarHBondContact O-OG1 3.36Å
359	D	98.8	Very high	98.7	Very high	48 Å²	48	28.1 Å²	28.1	26%	0.257	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	12.4	176.8	76.4	-42	0	0	0	113.7	E357 R435 R652	E357-D359 PolarHBondContact O-N 2.67Å; D359-R435 WeakPolarHBondContact O-CB 3.49Å; D359-R435 VanDerWaalsContact O-CD 3.31Å; D359-R435 WeakPolarHBondContact O-CD 3.07Å; D359-R435 WeakPolarHBondContact O-CG 3.47Å; D359-R652 IonicContact OD1-CZ 2.79Å; D359-R652 IonicContact OD1-NH1 3.78Å; D359-R652 PolarHBondContact OD1-NH1 2.94Å; D359-R652 VanDerWaalsContact OD1-NH1 3.09Å; D359-R652 IonicContact OD1-NH2 3.95Å; D359-R652 PolarHBondContact OD1-NH2 3.47Å; D359-R652 IonicContact OD2-CZ 3.78Å; D359-R652 IonicContact OD2-NH1 3.98Å; D359-R652 IonicContact OD2-NH2 3.89Å; D359-R652 PolarHBondContact OD2-NH2 3.17Å
360	R	98.8	Very high	98.7	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.06	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.9	170.5	-68	-73	173.3	-83.5	8.2	109.3	E357 R404 T405 R435 V437 R652 D656 M659	E357-R360 HydrophobicContact CB-CB 4.13Å; E357-R360 HydrophobicContact CB-CG 4.01Å; E357-R360 PolarHBondContact O-N 2.77Å; R360-R404 HydrophobicContact CB-CB 4.16Å; R360-R404 HydrophobicContact CB-CG 3.97Å; R360-T405 PolarHBondContact O-N 2.89Å; R360-R435 CarbonylContact C-O 3.38Å; R360-R435 WeakPolarHBondContact CA-O 3.34Å; R360-V437 HydrophobicContact CB-CG2 3.94Å; R360-R652 VanDerWaalsContact NH2-CZ 3.33Å; R360-D656 IonicContact CZ-OD1 3.54Å; R360-D656 VanDerWaalsContact CZ-OD1 3.3Å; R360-D656 IonicContact NE-OD1 3.88Å; R360-D656 PolarHBondContact NE-OD1 3.34Å; R360-D656 VanDerWaalsContact NH2-CG 3.26Å; R360-D656 IonicContact NH2-OD1 2.99Å; R360-D656 PolarHBondContact NH2-OD1 2.64Å; R360-D656 IonicContact NH2-OD2 3.41Å; R360-D656 PolarHBondContact NH2-OD2 2.94Å; R360-D656 VanDerWaalsContact NH2-OD2 3.07Å; R360-M659 VanDerWaalsContact CD-SD 3.56Å
361	Y	98.9	Very high	98.7	Very high	34 Å²	34	27.9 Å²	27.9	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127	-167.8	-51.8	-28.9	0	0	0	112.7	P358 T405 I407 V431 L432 R435 A436 V437	P358-Y361 WeakPolarHBondContact O-CE1 3.36Å; Y361-T405 WeakPolarHBondContact CA-O 3.33Å; Y361-T405 HydrophobicContact CD1-CG2 4.04Å; Y361-T405 HydrophobicContact CE1-CG2 4.36Å; Y361-I407 HydrophobicContact CD1-CD1 4.25Å; Y361-I407 HydrophobicContact CD2-CD1 3.88Å; Y361-I407 HydrophobicContact CE2-CD1 4.48Å; Y361-I407 HydrophobicContact CG-CD1 3.76Å; Y361-V431 HydrophobicContact CE2-CG1 3.61Å; Y361-L432 HydrophobicContact CD2-CD2 4.41Å; Y361-R435 HydrophobicContact CD2-CB 3.73Å; Y361-R435 HydrophobicContact CE2-CB 3.66Å; Y361-R435 HydrophobicContact CE2-CG 4.36Å; Y361-R435 HydrophobicContact CG-CB 4.25Å; Y361-R435 PolarHBondContact N-O 3.37Å; Y361-R435 WeakPolarHBondContact OH-CD 3.38Å; Y361-R435 PolarHBondContact OH-NH1 3.21Å; Y361-A436 CarbonylContact O-C 3.52Å; Y361-V437 WeakPolarHBondContact O-CB 3.29Å; Y361-V437 PolarHBondContact O-N 2.85Å
362	I	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119	168.6	-64.4	65.7	0	0	0	106	R404 T405 I406 I407 V437 V574 L577 A578	I362-R404 HydrophobicContact CD1-CB 3.45Å; I362-R404 VanDerWaalsContact CD1-CB 3.45Å; I362-R404 HydrophobicContact CD1-CG 4.19Å; I362-T405 PolarHBondContact N-O 2.99Å; I362-I406 CarbonylContact O-C 3.59Å; I362-I406 WeakPolarHBondContact O-CA 3.44Å; I362-I407 PolarHBondContact O-N 2.93Å; I362-V437 HydrophobicContact CD1-CB 4.08Å; I362-V437 HydrophobicContact CD1-CG2 4.14Å; I362-V437 HydrophobicContact CG1-CB 4.32Å; I362-V574 HydrophobicContact CG2-CB 4.37Å; I362-V574 HydrophobicContact CG2-CG1 3.98Å; I362-V574 HydrophobicContact CG2-CG2 4.35Å; I362-L577 HydrophobicContact CG1-CB 3.75Å; I362-L577 HydrophobicContact CG2-CB 4.15Å; I362-A578 HydrophobicContact CB-CB 4.49Å; I362-A578 HydrophobicContact CD1-CB 4.18Å; I362-A578 HydrophobicContact CG1-CB 4.11Å
363	I	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	-173.6	-50.9	170.2	0	0	0	108.4	I407 L432 A436 A438 Y439 I440 Y514	I363-I407 CarbonylContact C-O 3.58Å; I363-I407 VanDerWaalsContact CA-O 3.31Å; I363-I407 WeakPolarHBondContact CA-O 3.47Å; I363-I407 HydrophobicContact CG1-CB 4.26Å; I363-I407 HydrophobicContact CG1-CD1 4.48Å; I363-L432 HydrophobicContact CD1-CD2 3.79Å; I363-A436 HydrophobicContact CD1-CB 4.25Å; I363-A438 PolarHBondContact N-O 3.5Å; I363-Y439 HydrophobicContact CB-CD2 3.79Å; I363-Y439 HydrophobicContact CG2-CD2 3.57Å; I363-Y439 HydrophobicContact CG2-CE2 3.82Å; I363-Y439 CarbonylContact O-C 3.56Å; I363-Y439 WeakPolarHBondContact O-CA 3.32Å; I363-I440 PolarHBondContact O-N 3.15Å; I363-Y514 HydrophobicContact CD1-CD1 4.12Å; I363-Y514 HydrophobicContact CD1-CE1 3.83Å
364	L	98.9	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106.7	168.2	-179.3	68	0	0	0	107.9	L385 I388 I407 F408 A409 I440 T442 V574	L364-L385 HydrophobicContact CD2-CD1 3.61Å; L364-L385 HydrophobicContact CG-CD1 3.83Å; L364-I388 HydrophobicContact CD2-CB 4.21Å; L364-I388 HydrophobicContact CD2-CD1 4Å; L364-I388 HydrophobicContact CD2-CG2 3.61Å; L364-I407 PolarHBondContact N-O 3.29Å; L364-F408 HydrophobicContact CB-CD1 4.02Å; L364-F408 HydrophobicContact CB-CE1 4.33Å; L364-F408 HydrophobicContact CD2-CD1 3.93Å; L364-F408 HydrophobicContact CD2-CE1 3.85Å; L364-F408 HydrophobicContact CG-CD1 4.43Å; L364-F408 WeakPolarHBondContact O-CA 3.46Å; L364-A409 PolarHBondContact O-N 3.17Å; L364-I440 WeakPolarHBondContact CA-O 3.32Å; L364-I440 HydrophobicContact CD1-CB 3.93Å; L364-I440 HydrophobicContact CD1-CG2 3.83Å; L364-T442 HydrophobicContact CD1-CG2 4.49Å; L364-T442 HydrophobicContact CG-CG2 4.48Å; L364-V574 HydrophobicContact CB-CG2 3.92Å; L364-V574 HydrophobicContact CD1-CG2 3.95Å; L364-V574 HydrophobicContact CD2-CG2 4.24Å; L364-V574 HydrophobicContact CG-CG2 4.25Å
365	G	98.8	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.5	-168.8	0	0	0	0	0	114	A409 Y439 I440 N441 T442	G365-A409 VanDerWaalsContact CA-O 3.3Å; G365-A409 WeakPolarHBondContact CA-O 3.33Å; G365-Y439 VanDerWaalsContact C-OH 3.27Å; G365-Y439 PolarHBondContact O-OH 2.79Å; G365-I440 PolarHBondContact N-O 3.39Å; G365-N441 CarbonylContact O-C 3.59Å; G365-N441 VanDerWaalsContact O-CA 3.27Å; G365-N441 WeakPolarHBondContact O-CA 3.31Å; G365-N441 PolarHBondContact O-OD1 3.47Å; G365-T442 VanDerWaalsContact C-CG2 3.45Å; G365-T442 WeakPolarHBondContact O-CG2 3.35Å; G365-T442 PolarHBondContact O-N 2.87Å
366	G	98.6	Very high	98.6	Very high	2 Å²	2	14 Å²	14	2%	0.021	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	151.9	174.8	0	0	0	0	0	111	A409 S410 W411	G366-A409 PolarHBondContact N-O 3.47Å; G366-A409 VanDerWaalsContact N-O 3.1Å; G366-S410 WeakPolarHBondContact O-CA 3.46Å; G366-W411 PolarHBondContact O-N 3.23Å
367	H	98.9	Very high	98.7	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	164.7	-177.8	73.1	114.3	0	0	0	114.2	D369 D377 P378 W411 E414 D443 D510	H367-D369 PolarHBondContact ND1-O 2.86Å; H367-D369 IonicContact ND1-OD1 3.35Å; H367-D377 IonicContact CE1-OD1 2.68Å; H367-D377 PolarHBondContact CE1-OD1 2.92Å; H367-D377 IonicContact NE2-OD1 2.64Å; H367-D377 PolarHBondContact NE2-OD1 3.23Å; H367-P378 VanDerWaalsContact CE1-CB 3.4Å; H367-P378 WeakPolarHBondContact CE1-CB 3.49Å; H367-P378 WeakPolarHBondContact ND1-CG 3.29Å; H367-P378 VanDerWaalsContact O-CB 3.28Å; H367-P378 WeakPolarHBondContact O-CB 3.29Å; H367-P378 WeakPolarHBondContact O-CG 3.47Å; H367-W411 CarbonylContact C-O 3.55Å; H367-W411 WeakPolarHBondContact CA-O 3.39Å; H367-W411 HydrophobicContact CB-CB 4.14Å; H367-E414 HydrophobicContact CB-CB 3.26Å; H367-E414 HydrophobicContact CB-CG 3.81Å; H367-E414 IonicContact CE1-OE2 2.78Å; H367-E414 IonicContact ND1-OE2 2.98Å; H367-E414 IonicContact NE2-OE2 2.72Å; H367-D443 IonicContact NE2-OD1 3.49Å; H367-D510 IonicContact CD2-OD2 3.68Å; H367-D510 PolarHBondContact N-OD2 3.24Å; H367-D510 VanDerWaalsContact N-OD2 3.12Å
368	R	98.8	Very high	98.7	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.008	4%	0.044	C	C	.	.			trans	-126.8	-30.4	-176.5	177.4	-170.6	72.7	-108.8	-1.9	111.8	H72 N79 L82 I86 Y346 S410 W411 D412	H72-R368 PolarHBondContact CE1-O 2.89Å; H72-R368 PolarHBondContact ND1-O 3.08Å; N79-R368 PolarHBondContact ND2-NH2 2.76Å; N79-R368 PolarHBondContact OD1-NE 2.72Å; L82-R368 HydrophobicContact CD2-CG 3.51Å; L82-R368 HydrophobicContact CG-CG 4.05Å; I86-R368 HydrophobicContact CD1-CG 4.17Å; Y346-R368 PolarHBondContact O-NH1 3.48Å; Y346-R368 PolarHBondContact O-NH2 2.82Å; R368-S410 WeakPolarHBondContact CB-OG 3.47Å; R368-S410 PolarHBondContact NH1-O 2.9Å; R368-S410 PolarHBondContact NH1-OG 3.01Å; R368-W411 PolarHBondContact N-O 3.36Å; R368-D412 IonicContact NH2-OD2 3.23Å
369	D	98.8	Very high	98.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.			trans	-64.6	144	174.4	61	-63.2	0	0	0	111	H72 A74 H367 P378 D412 A413 E414 E415	H72-D369 WeakPolarHBondContact O-CA 3.42Å; A74-D369 HydrophobicContact CB-CB 3.76Å; H367-D369 PolarHBondContact ND1-O 2.86Å; H367-D369 IonicContact ND1-OD1 3.35Å; D369-P378 VanDerWaalsContact O-CD 3.3Å; D369-P378 WeakPolarHBondContact O-CD 3.21Å; D369-P378 WeakPolarHBondContact O-CG 3.21Å; D369-D412 WeakPolarHBondContact OD1-CA 3.47Å; D369-A413 PolarHBondContact OD1-N 2.93Å; D369-A413 WeakPolarHBondContact OD2-CA 3.38Å; D369-A413 PolarHBondContact OD2-N 2.77Å; D369-E414 PolarHBondContact OD1-N 2.91Å; D369-E414 PolarHBondContact OD2-N 3.41Å; D369-E415 WeakPolarHBondContact OD2-CB 3.27Å; D369-E415 PolarHBondContact OD2-N 3.43Å; D369-E415 VanDerWaalsContact OD2-N 3.09Å
370	S	98.7	Very high	98.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.			trans	-137.2	160.6	176.7	70.1	0	0	0	0	111	H72 L73 V372 G374	H72-S370 WeakPolarHBondContact CE1-CB 3.43Å; H72-S370 PolarHBondContact CE1-OG 3.29Å; H72-S370 PolarHBondContact ND1-OG 3.29Å; H72-S370 VanDerWaalsContact ND1-OG 3.15Å; H72-S370 PolarHBondContact NE2-OG 2.92Å; H72-S370 VanDerWaalsContact NE2-OG 3.14Å; H72-S370 PolarHBondContact O-N 3.38Å; L73-S370 WeakPolarHBondContact CA-O 3.4Å; L73-S370 VanDerWaalsContact CD1-O 3.31Å; L73-S370 WeakPolarHBondContact CD1-O 3.36Å; L73-S370 PolarHBondContact N-O 3.44Å; S370-V372 PolarHBondContact O-N 2.8Å; S370-V372 PolarHBondContact OG-O 2.82Å; S370-G374 PolarHBondContact OG-N 2.84Å
371	W	98.6	Very high	98.7	Very high	8 Å²	8	3.1 Å²	3.1	3%	0.03	2%	0.015	C	C	.	.	S	Bend	trans	-63.9	-38.7	176.3	-78.7	103.9	0	0	0	114.3	L73 Y151 A153 R245 E415 F416 H543	L73-W371 HydrophobicContact CD1-CE3 3.95Å; L73-W371 HydrophobicContact CD1-CZ3 4.27Å; Y151-W371 HydrophobicContact CD1-CZ3 4.49Å; Y151-W371 HydrophobicContact CE1-CE3 4.13Å; Y151-W371 AromaticContact CE1-CZ3 3.62Å; Y151-W371 HydrophobicContact CE1-CZ3 3.62Å; Y151-W371 HydrophobicContact CE2-CZ3 4.45Å; Y151-W371 AromaticContact CZ-CZ3 3.6Å; Y151-W371 WeakPolarHBondContact OH-CZ3 3.4Å; A153-W371 HydrophobicContact CB-CH2 3.68Å; A153-W371 HydrophobicContact CB-CZ3 4.38Å; R245-W371 HydrophobicContact CB-CB 4.15Å; R245-W371 HydrophobicContact CB-CD2 3.44Å; R245-W371 VanDerWaalsContact CB-CD2 3.44Å; R245-W371 HydrophobicContact CB-CE3 3.6Å; R245-W371 HydrophobicContact CB-CG 3.65Å; R245-W371 HydrophobicContact CB-CZ3 4.3Å; R245-W371 HydrophobicContact CG-CD2 4.38Å; R245-W371 HydrophobicContact CG-CE3 4.15Å; W371-E415 HydrophobicContact CZ2-CB 4.04Å; W371-E415 WeakPolarHBondContact CZ2-O 3.41Å; W371-E415 PolarHBondContact NE1-OE1 3.34Å; W371-E415 PolarHBondContact NE1-OE2 3.2Å; W371-F416 HydrophobicContact CH2-CE1 4.28Å; W371-F416 HydrophobicContact CH2-CZ 4.16Å; W371-F416 HydrophobicContact CZ3-CZ 4.16Å; W371-H543 AromaticContact CD1-CD2 3.56Å; W371-H543 AromaticContact CD1-CE1 3.43Å; W371-H543 VanDerWaalsContact CD1-CE1 3.43Å; W371-H543 AromaticContact CD1-CG 3.3Å; W371-H543 AromaticContact CD1-ND1 3.26Å; W371-H543 VanDerWaalsContact CD1-ND1 3.26Å; W371-H543 AromaticContact CD1-NE2 3.68Å; W371-H543 HydrophobicContact CG-CB 4.24Å; W371-H543 AromaticContact NE1-CE1 3.15Å; W371-H543 PolarHBondContact NE1-CE1 2.99Å; W371-H543 AromaticContact NE1-CG 3.72Å; W371-H543 AromaticContact NE1-ND1 3.13Å; W371-H543 PolarHBondContact NE1-ND1 3.26Å; W371-H543 VanDerWaalsContact NE1-ND1 3.13Å; W371-H543 AromaticContact NE1-NE2 3.81Å
372	V	98.4	Very high	98.7	Very high	2 Å²	2	1.8 Å²	1.8	1%	0.012	1%	0.011	C	C	.	.	S	Bend	trans	-136.2	-107.4	177.5	-167.6	0	0	0	0	108.2	P71 H72 I147 S370 V545	P71-V372 CarbonylContact C-O 3.5Å; P71-V372 WeakPolarHBondContact CA-O 3.41Å; P71-V372 HydrophobicContact CB-CG1 4.33Å; P71-V372 HydrophobicContact CG-CG1 4.16Å; H72-V372 PolarHBondContact N-O 2.89Å; H72-V372 VanDerWaalsContact N-O 3.08Å; I147-V372 HydrophobicContact CG1-CG1 4.32Å; I147-V372 HydrophobicContact CG2-CG1 4.1Å; S370-V372 PolarHBondContact O-N 2.8Å; S370-V372 PolarHBondContact OG-O 2.82Å; V372-V545 HydrophobicContact CG1-CG2 4.11Å
373	F	98.4	Very high	98.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.011	C	C	.	.	S	Bend	trans	-90.3	-18.3	-180	-50.8	-75.7	0	0	0	113.6	P71 H72 P138 Y141 V144 I147 G375 V545 E547 T548	P71-F373 HydrophobicContact CG-CD1 4.24Å; P71-F373 HydrophobicContact CG-CE1 3.9Å; P71-F373 HydrophobicContact CG-CZ 4.43Å; H72-F373 PolarHBondContact NE2-O 3.2Å; P138-F373 HydrophobicContact CG-CE2 4.09Å; Y141-F373 HydrophobicContact CD1-CD1 4.01Å; Y141-F373 AromaticContact CD1-CE1 3.33Å; Y141-F373 HydrophobicContact CD1-CE1 3.33Å; Y141-F373 AromaticContact CD1-CE2 3.93Å; Y141-F373 HydrophobicContact CD1-CE2 3.93Å; Y141-F373 AromaticContact CD1-CZ 3.29Å; Y141-F373 HydrophobicContact CD1-CZ 3.29Å; Y141-F373 AromaticContact CE1-CD1 3.9Å; Y141-F373 HydrophobicContact CE1-CD1 3.9Å; Y141-F373 AromaticContact CE1-CE1 3.71Å; Y141-F373 HydrophobicContact CE1-CE1 3.71Å; Y141-F373 HydrophobicContact CE1-CE2 4.36Å; Y141-F373 HydrophobicContact CE1-CG 4.31Å; Y141-F373 AromaticContact CE1-CZ 3.97Å; Y141-F373 HydrophobicContact CE1-CZ 3.97Å; Y141-F373 HydrophobicContact CG-CE1 4.3Å; Y141-F373 HydrophobicContact CG-CE2 4.24Å; Y141-F373 AromaticContact CG-CZ 3.82Å; Y141-F373 HydrophobicContact CG-CZ 3.82Å; V144-F373 HydrophobicContact CG1-CE1 3.97Å; V144-F373 HydrophobicContact CG1-CZ 4.24Å; I147-F373 HydrophobicContact CD1-CE2 4.4Å; I147-F373 HydrophobicContact CD1-CZ 3.88Å; I147-F373 HydrophobicContact CG1-CZ 4.3Å; F373-G375 VanDerWaalsContact C-N 3.33Å; F373-G375 PolarHBondContact O-N 2.93Å; F373-V545 HydrophobicContact CE2-CG2 3.96Å; F373-E547 WeakPolarHBondContact CB-O 3.28Å; F373-T548 HydrophobicContact CD2-CG2 4.34Å
374	G	98.1	Very high	98.7	Very high	3 Å²	3	1.8 Å²	1.8	3%	0.031	1%	0.011	C	C	.	.			trans	58.6	38.2	178.9	0	0	0	0	0	114.9	S370 I376 D377 T379	S370-G374 PolarHBondContact OG-N 2.84Å; G374-I376 CarbonylContact O-C 3.59Å; G374-I376 PolarHBondContact O-N 2.85Å; G374-D377 CarbonylContact C-O 3.28Å; G374-D377 WeakPolarHBondContact CA-O 3.27Å; G374-T379 WeakPolarHBondContact O-CB 3.45Å; G374-T379 PolarHBondContact O-N 3.43Å; G374-T379 VanDerWaalsContact O-N 3.16Å; G374-T379 PolarHBondContact O-OG1 2.81Å
375	G	97.9	Very high	98.7	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-37.2	-176.9	0	0	0	0	0	114	F373 T380 E547 V552	F373-G375 VanDerWaalsContact C-N 3.33Å; F373-G375 PolarHBondContact O-N 2.93Å; G375-T380 VanDerWaalsContact O-CG2 3.23Å; G375-T380 WeakPolarHBondContact O-CG2 3.24Å; G375-E547 VanDerWaalsContact CA-O 3.29Å; G375-E547 WeakPolarHBondContact CA-O 3.21Å; G375-E547 PolarHBondContact N-O 2.67Å; G375-V552 WeakPolarHBondContact O-CG2 3.46Å
376	I	98.8	Very high	98.7	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-60.9	166.3	-65.7	169.9	0	0	0	110	G374 P378 T379 T380 I446 Y539 E547 L551 V552 Y556	G374-I376 CarbonylContact O-C 3.59Å; G374-I376 PolarHBondContact O-N 2.85Å; I376-P378 CarbonylContact O-C 3.54Å; I376-T379 PolarHBondContact O-N 2.7Å; I376-T379 VanDerWaalsContact O-N 3.11Å; I376-T380 PolarHBondContact O-N 2.67Å; I376-T380 VanDerWaalsContact O-N 3.17Å; I376-T380 PolarHBondContact O-OG1 3.13Å; I376-I446 VanDerWaalsContact CG2-O 3.24Å; I376-I446 WeakPolarHBondContact CG2-O 3.47Å; I376-Y539 HydrophobicContact CB-CE2 4.16Å; I376-Y539 HydrophobicContact CD1-CD2 3.86Å; I376-Y539 HydrophobicContact CD1-CE2 3.81Å; I376-Y539 HydrophobicContact CD1-CG 4.32Å; I376-Y539 HydrophobicContact CG2-CE1 3.95Å; I376-Y539 HydrophobicContact CG2-CE2 4.38Å; I376-E547 WeakPolarHBondContact CB-OE2 3.39Å; I376-E547 PolarHBondContact N-OE2 3.25Å; I376-L551 HydrophobicContact CD1-CD2 3.82Å; I376-L551 HydrophobicContact CG1-CD2 4.27Å; I376-V552 HydrophobicContact CD1-CG2 4.45Å; I376-V552 HydrophobicContact CG1-CG2 3.54Å; I376-Y556 HydrophobicContact CD1-CD1 4.03Å; I376-Y556 HydrophobicContact CD1-CD2 4.25Å; I376-Y556 HydrophobicContact CD1-CE1 3.69Å; I376-Y556 HydrophobicContact CD1-CE2 3.95Å; I376-Y556 HydrophobicContact CD1-CG 4.31Å
377	D	98.6	Very high	98.7	Very high	11 Å²	11	1.8 Å²	1.8	6%	0.059	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	113.5	-172.6	-174.1	2.3	0	0	0	112.3	H367 G374 S444 Y539 Y542 H543 E547	H367-D377 IonicContact CE1-OD1 2.68Å; H367-D377 PolarHBondContact CE1-OD1 2.92Å; H367-D377 IonicContact NE2-OD1 2.64Å; H367-D377 PolarHBondContact NE2-OD1 3.23Å; G374-D377 CarbonylContact C-O 3.28Å; G374-D377 WeakPolarHBondContact CA-O 3.27Å; D377-S444 WeakPolarHBondContact CA-OG 3.48Å; D377-S444 WeakPolarHBondContact CB-OG 3.45Å; D377-Y539 WeakPolarHBondContact CB-OH 3.31Å; D377-Y542 WeakPolarHBondContact OD2-CE2 3.29Å; D377-H543 IonicContact OD2-CD2 2.67Å; D377-H543 IonicContact OD2-NE2 2.87Å; D377-H543 PolarHBondContact OD2-NE2 3.37Å; D377-E547 PolarHBondContact N-OE2 3.14Å; D377-E547 VanDerWaalsContact N-OE2 3.13Å
378	P	98.6	Very high	98.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.4	0.2	-3.1	34.1	-32.1	0	0	0	113.9	H367 D369 I376 T380 G381 A382	H367-P378 VanDerWaalsContact CE1-CB 3.4Å; H367-P378 WeakPolarHBondContact CE1-CB 3.49Å; H367-P378 WeakPolarHBondContact ND1-CG 3.29Å; H367-P378 VanDerWaalsContact O-CB 3.28Å; H367-P378 WeakPolarHBondContact O-CB 3.29Å; H367-P378 WeakPolarHBondContact O-CG 3.47Å; D369-P378 VanDerWaalsContact O-CD 3.3Å; D369-P378 WeakPolarHBondContact O-CD 3.21Å; D369-P378 WeakPolarHBondContact O-CG 3.21Å; I376-P378 CarbonylContact O-C 3.54Å; P378-T380 PolarHBondContact O-N 3.24Å; P378-G381 VanDerWaalsContact O-CA 3.32Å; P378-G381 WeakPolarHBondContact O-CA 3.43Å; P378-G381 PolarHBondContact O-N 3.25Å; P378-A382 PolarHBondContact O-N 3.18Å; P378-A382 VanDerWaalsContact O-N 3.09Å
379	T	98.8	Very high	98.7	Very high	2 Å²	2	1.7 Å²	1.7	1%	0.012	1%	0.01	C	C	.	.	H	α-helix	trans	-69.5	-21.6	-150.2	-47.2	0	0	0	0	113.2	L64 F67 T68 H72 G374 I376 G381 A382 A383	L64-T379 VanDerWaalsContact CD1-C 3.45Å; L64-T379 HydrophobicContact CD1-CG2 3.9Å; L64-T379 WeakPolarHBondContact CD1-O 3.48Å; F67-T379 HydrophobicContact CB-CG2 3.19Å; F67-T379 HydrophobicContact CD2-CG2 4.01Å; F67-T379 HydrophobicContact CG-CG2 4.13Å; T68-T379 HydrophobicContact CG2-CG2 3.64Å; H72-T379 PolarHBondContact CE1-OG1 3.04Å; H72-T379 VanDerWaalsContact CE1-OG1 3.27Å; H72-T379 PolarHBondContact NE2-OG1 2.88Å; G374-T379 WeakPolarHBondContact O-CB 3.45Å; G374-T379 PolarHBondContact O-N 3.43Å; G374-T379 VanDerWaalsContact O-N 3.16Å; G374-T379 PolarHBondContact O-OG1 2.81Å; I376-T379 PolarHBondContact O-N 2.7Å; I376-T379 VanDerWaalsContact O-N 3.11Å; T379-G381 VanDerWaalsContact C-N 3.32Å; T379-A382 PolarHBondContact O-N 3.31Å; T379-A383 WeakPolarHBondContact O-CB 3.43Å; T379-A383 PolarHBondContact O-N 3.03Å
380	T	98.9	Very high	98.7	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-64.9	-36	168.8	59.7	0	0	0	0	112.5	L64 G375 I376 P378 V384 S445 I446 V552	L64-T380 HydrophobicContact CD1-CG2 3.96Å; L64-T380 HydrophobicContact CD2-CG2 4Å; G375-T380 VanDerWaalsContact O-CG2 3.23Å; G375-T380 WeakPolarHBondContact O-CG2 3.24Å; I376-T380 PolarHBondContact O-N 2.67Å; I376-T380 VanDerWaalsContact O-N 3.17Å; I376-T380 PolarHBondContact O-OG1 3.13Å; P378-T380 PolarHBondContact O-N 3.24Å; T380-V384 WeakPolarHBondContact O-CG2 3.47Å; T380-V384 PolarHBondContact O-N 2.97Å; T380-S445 VanDerWaalsContact CB-OG 3.27Å; T380-S445 WeakPolarHBondContact CB-OG 3.24Å; T380-S445 PolarHBondContact O-OG 2.9Å; T380-S445 PolarHBondContact OG1-N 2.95Å; T380-S445 PolarHBondContact OG1-OG 3.4Å; T380-I446 HydrophobicContact CG2-CG2 3.68Å; T380-V552 HydrophobicContact CG2-CG1 4.27Å; T380-V552 HydrophobicContact CG2-CG2 4.12Å
381	G	98.9	Very high	98.7	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-72.6	-40.5	173.4	0	0	0	0	0	112.8	P378 T379 V384 L385 T442 D443	P378-G381 VanDerWaalsContact O-CA 3.32Å; P378-G381 WeakPolarHBondContact O-CA 3.43Å; P378-G381 PolarHBondContact O-N 3.25Å; T379-G381 VanDerWaalsContact C-N 3.32Å; G381-V384 PolarHBondContact O-N 2.85Å; G381-L385 PolarHBondContact O-N 2.88Å; G381-T442 CarbonylContact C-O 3.57Å; G381-T442 WeakPolarHBondContact CA-O 3.28Å; G381-T442 PolarHBondContact O-OG1 2.97Å; G381-T442 VanDerWaalsContact O-OG1 3.13Å; G381-D443 WeakPolarHBondContact CA-O 3.09Å
382	A	98.9	Very high	98.7	Very high	6 Å²	6	3.3 Å²	3.3	5%	0.05	2%	0.016	C	C	.	.	H	α-helix	trans	-64	-41	174.7	0	0	0	0	0	112.1	F67 P378 T379 L385 Q386	F67-A382 HydrophobicContact CD2-CB 4.37Å; P378-A382 PolarHBondContact O-N 3.18Å; P378-A382 VanDerWaalsContact O-N 3.09Å; T379-A382 PolarHBondContact O-N 3.31Å; A382-L385 WeakPolarHBondContact O-CB 3.4Å; A382-L385 PolarHBondContact O-N 3.46Å; A382-Q386 WeakPolarHBondContact O-CG 3.38Å; A382-Q386 PolarHBondContact O-N 2.92Å
383	A	98.9	Very high	98.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-62.6	-42	174.8	0	0	0	0	0	112.2	I60 F63 L64 T379 Q386 E387	I60-A383 HydrophobicContact CG2-CB 4.09Å; F63-A383 HydrophobicContact CB-CB 3.81Å; L64-A383 HydrophobicContact CB-CB 3.98Å; T379-A383 WeakPolarHBondContact O-CB 3.43Å; T379-A383 PolarHBondContact O-N 3.03Å; A383-Q386 PolarHBondContact O-N 3.25Å; A383-E387 PolarHBondContact O-N 3.39Å
384	V	98.9	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.2	-42.9	173.1	163.3	0	0	0	0	111.4	I60 T380 G381 Q386 E387 I388 Q563 A567	I60-V384 HydrophobicContact CD1-CG2 4.46Å; I60-V384 HydrophobicContact CG2-CG2 4.16Å; T380-V384 WeakPolarHBondContact O-CG2 3.47Å; T380-V384 PolarHBondContact O-N 2.97Å; G381-V384 PolarHBondContact O-N 2.85Å; V384-Q386 PolarHBondContact O-N 2.76Å; V384-E387 PolarHBondContact O-N 3.15Å; V384-I388 HydrophobicContact CG1-CD1 3.7Å; V384-I388 HydrophobicContact CG1-CG1 4.42Å; V384-I388 VanDerWaalsContact O-CG1 3.29Å; V384-I388 WeakPolarHBondContact O-CG1 3.5Å; V384-I388 PolarHBondContact O-N 2.78Å; V384-Q563 HydrophobicContact CG2-CB 4.5Å; V384-A567 HydrophobicContact CB-CB 4.49Å; V384-A567 HydrophobicContact CG1-CB 3.74Å; V384-A567 HydrophobicContact CG2-CB 4.33Å
385	L	98.9	Very high	98.7	Very high	2 Å²	2	7 Å²	7	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-57.7	-47	175.6	177.4	56.1	0	0	0	111.4	W90 L364 G381 A382 E387 I388 V389 F408 A409 T442	W90-L385 HydrophobicContact CH2-CD2 4.42Å; W90-L385 HydrophobicContact CZ2-CD2 3.97Å; W90-L385 HydrophobicContact CZ2-CG 4.21Å; L364-L385 HydrophobicContact CD2-CD1 3.61Å; L364-L385 HydrophobicContact CG-CD1 3.83Å; G381-L385 PolarHBondContact O-N 2.88Å; A382-L385 WeakPolarHBondContact O-CB 3.4Å; A382-L385 PolarHBondContact O-N 3.46Å; L385-E387 VanDerWaalsContact C-N 3.35Å; L385-E387 PolarHBondContact O-N 3.29Å; L385-I388 PolarHBondContact O-N 2.53Å; L385-V389 HydrophobicContact CD1-CG2 3.92Å; L385-V389 HydrophobicContact CG-CG2 4.35Å; L385-V389 VanDerWaalsContact O-CG2 3.26Å; L385-V389 WeakPolarHBondContact O-CG2 3.31Å; L385-V389 PolarHBondContact O-N 3.08Å; L385-F408 HydrophobicContact CD1-CD1 4.04Å; L385-A409 WeakPolarHBondContact CD2-O 3.23Å; L385-T442 HydrophobicContact CB-CG2 3.85Å; L385-T442 HydrophobicContact CD1-CG2 4.09Å; L385-T442 HydrophobicContact CD2-CG2 3.87Å; L385-T442 HydrophobicContact CG-CG2 4.14Å
386	Q	98.9	Very high	98.7	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-58.8	-45.1	179	-67.2	-51.7	87.5	0	0	112.4	F63 F67 A382 A383 V384 I388 V389 R390	F63-Q386 HydrophobicContact CD1-CB 4.02Å; F63-Q386 HydrophobicContact CD1-CG 4.29Å; F63-Q386 HydrophobicContact CD2-CB 3.77Å; F63-Q386 HydrophobicContact CE1-CB 4.11Å; F63-Q386 HydrophobicContact CE2-CB 3.86Å; F63-Q386 HydrophobicContact CG-CB 3.87Å; F63-Q386 HydrophobicContact CG-CG 4.39Å; F63-Q386 HydrophobicContact CZ-CB 4.04Å; F67-Q386 HydrophobicContact CE2-CG 3.54Å; F67-Q386 HydrophobicContact CZ-CG 3.58Å; A382-Q386 WeakPolarHBondContact O-CG 3.38Å; A382-Q386 PolarHBondContact O-N 2.92Å; A383-Q386 PolarHBondContact O-N 3.25Å; V384-Q386 PolarHBondContact O-N 2.76Å; Q386-I388 VanDerWaalsContact C-N 3.33Å; Q386-I388 PolarHBondContact O-N 3.48Å; Q386-V389 PolarHBondContact O-N 3.38Å; Q386-R390 WeakPolarHBondContact O-CB 3.29Å; Q386-R390 PolarHBondContact O-N 2.65Å
387	E	98.9	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.7	-38.6	179.7	-176.6	62.3	179.6	0	0	111.6	M55 K56 N59 I60 F63 A383 V384 L385 R390 S391	M55-E387 VanDerWaalsContact CA-OE1 3.3Å; M55-E387 WeakPolarHBondContact CA-OE1 3.3Å; M55-E387 HydrophobicContact CB-CG 4.17Å; M55-E387 HydrophobicContact CG-CG 4.29Å; K56-E387 PolarHBondContact N-OE1 2.99Å; N59-E387 WeakPolarHBondContact CB-OE2 3.42Å; N59-E387 PolarHBondContact ND2-OE1 3.1Å; N59-E387 PolarHBondContact ND2-OE2 2.99Å; I60-E387 HydrophobicContact CD1-CB 4.5Å; I60-E387 HydrophobicContact CD1-CG 4.39Å; I60-E387 HydrophobicContact CG1-CB 3.75Å; I60-E387 HydrophobicContact CG1-CG 3.91Å; F63-E387 HydrophobicContact CD2-CB 4.46Å; F63-E387 HydrophobicContact CE2-CB 4.3Å; A383-E387 PolarHBondContact O-N 3.39Å; V384-E387 PolarHBondContact O-N 3.15Å; L385-E387 VanDerWaalsContact C-N 3.35Å; L385-E387 PolarHBondContact O-N 3.29Å; E387-R390 PolarHBondContact O-N 3.44Å; E387-R390 IonicContact OE1-CZ 3.85Å; E387-R390 IonicContact OE1-NE 3.54Å; E387-R390 PolarHBondContact OE1-NE 3.45Å; E387-R390 IonicContact OE1-NH2 3.51Å; E387-R390 PolarHBondContact OE1-NH2 3.04Å; E387-R390 IonicContact OE2-CZ 3.97Å; E387-R390 IonicContact OE2-NE 3.31Å; E387-R390 PolarHBondContact OE2-NE 3.03Å; E387-R390 IonicContact OE2-NH2 3.58Å; E387-S391 PolarHBondContact O-N 3.1Å; E387-S391 PolarHBondContact O-OG 3.18Å; E387-S391 VanDerWaalsContact O-OG 3.07Å
388	I	98.9	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.2	-49	174.8	-67.2	165.9	0	0	0	110.7	M55 L364 V384 L385 Q386 R390 S391 F392 F408 A567 R570	M55-I388 HydrophobicContact CE-CB 4.4Å; M55-I388 HydrophobicContact CE-CG1 3.95Å; M55-I388 HydrophobicContact CE-CG2 4.45Å; M55-I388 HydrophobicContact SD-CG1 4.39Å; L364-I388 HydrophobicContact CD2-CB 4.21Å; L364-I388 HydrophobicContact CD2-CD1 4Å; L364-I388 HydrophobicContact CD2-CG2 3.61Å; V384-I388 HydrophobicContact CG1-CD1 3.7Å; V384-I388 HydrophobicContact CG1-CG1 4.42Å; V384-I388 VanDerWaalsContact O-CG1 3.29Å; V384-I388 WeakPolarHBondContact O-CG1 3.5Å; V384-I388 PolarHBondContact O-N 2.78Å; L385-I388 PolarHBondContact O-N 2.53Å; Q386-I388 VanDerWaalsContact C-N 3.33Å; Q386-I388 PolarHBondContact O-N 3.48Å; I388-R390 VanDerWaalsContact C-N 3.31Å; I388-R390 PolarHBondContact O-N 3.24Å; I388-S391 PolarHBondContact O-N 2.95Å; I388-F392 HydrophobicContact CG2-CD2 3.51Å; I388-F392 HydrophobicContact CG2-CE2 3.51Å; I388-F392 VanDerWaalsContact O-CD2 3.29Å; I388-F392 WeakPolarHBondContact O-CD2 3.29Å; I388-F392 PolarHBondContact O-N 3.23Å; I388-F408 HydrophobicContact CG2-CE1 4.29Å; I388-A567 HydrophobicContact CG1-CB 4.28Å; I388-R570 HydrophobicContact CD1-CB 3.66Å
389	V	98.9	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-44.2	179	178.5	0	0	0	0	110.6	W90 F93 L95 L385 Q386 S391 F392 G393 F408	W90-V389 HydrophobicContact CD2-CG1 4.43Å; W90-V389 HydrophobicContact CG-CG1 3.99Å; W90-V389 HydrophobicContact CZ2-CG2 4.26Å; F93-V389 HydrophobicContact CD2-CB 4.35Å; F93-V389 HydrophobicContact CD2-CG1 3.99Å; L95-V389 HydrophobicContact CD1-CG1 3.83Å; L95-V389 HydrophobicContact CD2-CG1 3.97Å; L95-V389 HydrophobicContact CG-CG1 3.94Å; L385-V389 HydrophobicContact CD1-CG2 3.92Å; L385-V389 HydrophobicContact CG-CG2 4.35Å; L385-V389 VanDerWaalsContact O-CG2 3.26Å; L385-V389 WeakPolarHBondContact O-CG2 3.31Å; L385-V389 PolarHBondContact O-N 3.08Å; Q386-V389 PolarHBondContact O-N 3.38Å; V389-S391 PolarHBondContact O-N 3.37Å; V389-F392 PolarHBondContact O-N 3.13Å; V389-G393 PolarHBondContact O-N 3.19Å; V389-F408 HydrophobicContact CG2-CB 4.02Å; V389-F408 HydrophobicContact CG2-CD1 3.44Å; V389-F408 VanDerWaalsContact CG2-CD1 3.44Å; V389-F408 HydrophobicContact CG2-CD2 4.16Å; V389-F408 HydrophobicContact CG2-CE1 3.84Å; V389-F408 HydrophobicContact CG2-CG 3.61Å; V389-F408 HydrophobicContact CG2-CZ 4.34Å
390	R	98.9	Very high	98.2	Very high	43 Å²	43	23.4 Å²	23.4	16%	0.162	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-46.6	176.9	-169.1	-163.3	69.2	71.9	1.9	111.6	E54 N59 F93 Q386 E387 I388 G393 K394	E54-R390 PolarHBondContact O-NH2 3.44Å; E54-R390 IonicContact OE1-CZ 2.69Å; E54-R390 IonicContact OE1-NH1 3.62Å; E54-R390 PolarHBondContact OE1-NH1 2.92Å; E54-R390 IonicContact OE1-NH2 2.9Å; E54-R390 PolarHBondContact OE1-NH2 3.41Å; N59-R390 PolarHBondContact ND2-NE 3.22Å; N59-R390 PolarHBondContact ND2-NH2 2.87Å; F93-R390 HydrophobicContact CD1-CB 4.15Å; F93-R390 HydrophobicContact CD1-CG 3.75Å; F93-R390 HydrophobicContact CD2-CB 3.81Å; F93-R390 HydrophobicContact CD2-CG 4.33Å; F93-R390 HydrophobicContact CE1-CB 4.15Å; F93-R390 HydrophobicContact CE1-CG 3.73Å; F93-R390 HydrophobicContact CE2-CB 3.8Å; F93-R390 HydrophobicContact CE2-CG 4.31Å; F93-R390 HydrophobicContact CG-CB 4Å; F93-R390 HydrophobicContact CG-CG 4.07Å; F93-R390 HydrophobicContact CZ-CB 3.98Å; F93-R390 HydrophobicContact CZ-CG 4.02Å; Q386-R390 WeakPolarHBondContact O-CB 3.29Å; Q386-R390 PolarHBondContact O-N 2.65Å; E387-R390 PolarHBondContact O-N 3.44Å; E387-R390 IonicContact OE1-CZ 3.85Å; E387-R390 IonicContact OE1-NE 3.54Å; E387-R390 PolarHBondContact OE1-NE 3.45Å; E387-R390 IonicContact OE1-NH2 3.51Å; E387-R390 PolarHBondContact OE1-NH2 3.04Å; E387-R390 IonicContact OE2-CZ 3.97Å; E387-R390 IonicContact OE2-NE 3.31Å; E387-R390 PolarHBondContact OE2-NE 3.03Å; E387-R390 IonicContact OE2-NH2 3.58Å; I388-R390 VanDerWaalsContact C-N 3.31Å; I388-R390 PolarHBondContact O-N 3.24Å; R390-G393 PolarHBondContact O-N 3.27Å; R390-K394 PolarHBondContact O-N 2.76Å
391	S	98.9	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-42.4	179.1	-59.4	0	0	0	0	112.5	M55 E387 I388 V389 K394 M395	M55-S391 VanDerWaalsContact CG-OG 3.31Å; M55-S391 WeakPolarHBondContact CG-OG 3.39Å; E387-S391 PolarHBondContact O-N 3.1Å; E387-S391 PolarHBondContact O-OG 3.18Å; E387-S391 VanDerWaalsContact O-OG 3.07Å; I388-S391 PolarHBondContact O-N 2.95Å; V389-S391 PolarHBondContact O-N 3.37Å; S391-K394 WeakPolarHBondContact O-CB 3.41Å; S391-K394 PolarHBondContact O-N 3.1Å; S391-M395 WeakPolarHBondContact O-CG 3.16Å; S391-M395 PolarHBondContact O-N 3.45Å
392	F	98.8	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-40.5	174	-85.1	-71.8	0	0	0	112.3	L51 L352 I388 V389 K394 M395 K396 W400 I406 F408 V574 Y575	L51-F392 HydrophobicContact CD1-CD1 3.98Å; L51-F392 HydrophobicContact CD1-CD2 4.23Å; L51-F392 HydrophobicContact CD1-CE1 4.25Å; L51-F392 HydrophobicContact CD1-CE2 4.47Å; L51-F392 HydrophobicContact CD1-CG 3.98Å; L51-F392 HydrophobicContact CD1-CZ 4.49Å; L51-F392 HydrophobicContact CD2-CD1 4.24Å; L51-F392 HydrophobicContact CD2-CE1 3.66Å; L51-F392 HydrophobicContact CD2-CE2 4.15Å; L51-F392 HydrophobicContact CD2-CZ 3.61Å; L352-F392 HydrophobicContact CD2-CB 4.35Å; I388-F392 HydrophobicContact CG2-CD2 3.51Å; I388-F392 HydrophobicContact CG2-CE2 3.51Å; I388-F392 VanDerWaalsContact O-CD2 3.29Å; I388-F392 WeakPolarHBondContact O-CD2 3.29Å; I388-F392 PolarHBondContact O-N 3.23Å; V389-F392 PolarHBondContact O-N 3.13Å; F392-K394 VanDerWaalsContact C-N 3.32Å; F392-K394 PolarHBondContact O-N 3.39Å; F392-M395 PolarHBondContact O-N 3.4Å; F392-K396 PolarHBondContact O-N 2.87Å; F392-W400 AromaticContact CD1-CH2 3.56Å; F392-W400 HydrophobicContact CD1-CH2 3.56Å; F392-W400 AromaticContact CD1-CZ3 3.58Å; F392-W400 HydrophobicContact CD1-CZ3 3.58Å; F392-W400 AromaticContact CE1-CH2 3.65Å; F392-W400 HydrophobicContact CE1-CH2 3.65Å; F392-W400 HydrophobicContact CE1-CZ3 4.16Å; F392-I406 HydrophobicContact CD1-CD1 4.1Å; F392-I406 HydrophobicContact CE1-CD1 3.81Å; F392-I406 HydrophobicContact CZ-CD1 4.23Å; F392-F408 HydrophobicContact CB-CZ 4.14Å; F392-F408 HydrophobicContact CD2-CE1 4.21Å; F392-F408 AromaticContact CD2-CZ 3.84Å; F392-F408 HydrophobicContact CD2-CZ 3.84Å; F392-F408 HydrophobicContact CG-CZ 4.13Å; F392-V574 HydrophobicContact CE2-CB 4.39Å; F392-V574 HydrophobicContact CE2-CG1 4.06Å; F392-V574 HydrophobicContact CZ-CB 4.22Å; F392-V574 HydrophobicContact CZ-CG1 3.86Å; F392-Y575 HydrophobicContact CE1-CD2 4.22Å
393	G	98.5	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-41.9	173.2	0	0	0	0	0	112.4	F93 V389 R390 K396 M397	F93-G393 CarbonylContact O-C 3.49Å; F93-G393 WeakPolarHBondContact O-CA 3.42Å; V389-G393 PolarHBondContact O-N 3.19Å; R390-G393 PolarHBondContact O-N 3.27Å; G393-K396 WeakPolarHBondContact O-CB 3.17Å; G393-K396 PolarHBondContact O-N 3.48Å; G393-M397 WeakPolarHBondContact O-CG 3.3Å; G393-M397 PolarHBondContact O-N 2.96Å
394	K	98.3	Very high	98	Very high	77 Å²	77	28.5 Å²	28.5	34%	0.335	14%	0.143	S	C	.	.	H	α-helix	trans	-59.7	-46.9	172.5	-176	65	177.8	177.6	0	112	E54 R390 S391 F392 K396 M397 E398	E54-K394 HydrophobicContact CG-CB 4.33Å; E54-K394 HydrophobicContact CG-CG 4.26Å; R390-K394 PolarHBondContact O-N 2.76Å; S391-K394 WeakPolarHBondContact O-CB 3.41Å; S391-K394 PolarHBondContact O-N 3.1Å; F392-K394 VanDerWaalsContact C-N 3.32Å; F392-K394 PolarHBondContact O-N 3.39Å; K394-K396 VanDerWaalsContact C-N 3.28Å; K394-K396 PolarHBondContact O-N 3.31Å; K394-M397 HydrophobicContact CD-CE 4.33Å; K394-M397 PolarHBondContact O-N 3.41Å; K394-E398 WeakPolarHBondContact CE-OE1 3.32Å; K394-E398 IonicContact NZ-OE1 2.9Å; K394-E398 WeakPolarHBondContact O-CG 3.35Å; K394-E398 PolarHBondContact O-N 3.38Å; K394-E398 VanDerWaalsContact O-N 3.08Å
395	M	98	Very high	98	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-39.9	175.9	-62.4	-56.6	96.9	0	0	111.5	V47 K50 L51 E54 S391 F392 E398 G399 W400	V47-M395 HydrophobicContact CG1-CG 4.34Å; V47-M395 HydrophobicContact CG1-SD 4.22Å; K50-M395 HydrophobicContact CB-CE 4.16Å; K50-M395 HydrophobicContact CB-SD 3.75Å; L51-M395 HydrophobicContact CB-CG 4.11Å; L51-M395 HydrophobicContact CB-SD 4.29Å; L51-M395 HydrophobicContact CD1-CG 3.77Å; E54-M395 HydrophobicContact CB-CE 4.44Å; S391-M395 WeakPolarHBondContact O-CG 3.16Å; S391-M395 PolarHBondContact O-N 3.45Å; F392-M395 PolarHBondContact O-N 3.4Å; M395-E398 PolarHBondContact O-N 3.43Å; M395-G399 PolarHBondContact O-N 2.99Å; M395-W400 HydrophobicContact CB-CB 4.31Å; M395-W400 HydrophobicContact CB-CD2 4.21Å; M395-W400 HydrophobicContact CB-CE3 3.59Å; M395-W400 HydrophobicContact CB-CZ3 4.26Å; M395-W400 WeakPolarHBondContact O-CB 3.1Å; M395-W400 PolarHBondContact O-N 3.17Å
396	K	97	Very high	98	Very high	43 Å²	43	28.7 Å²	28.7	19%	0.187	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-46.7	174.3	177.1	-174.1	148.6	-177	0	112.3	G94 D96 L352 F392 G393 K394 E398 G399 W400 R401	G94-K396 WeakPolarHBondContact O-CD 3.44Å; G94-K396 WeakPolarHBondContact O-CE 3.49Å; G94-K396 PolarHBondContact O-NZ 3.21Å; D96-K396 IonicContact OD1-NZ 2.91Å; D96-K396 PolarHBondContact OD1-NZ 3.01Å; L352-K396 HydrophobicContact CD1-CB 4.09Å; L352-K396 HydrophobicContact CD1-CD 3.4Å; L352-K396 HydrophobicContact CD1-CG 4.05Å; F392-K396 PolarHBondContact O-N 2.87Å; G393-K396 WeakPolarHBondContact O-CB 3.17Å; G393-K396 PolarHBondContact O-N 3.48Å; K394-K396 VanDerWaalsContact C-N 3.28Å; K394-K396 PolarHBondContact O-N 3.31Å; K396-E398 PolarHBondContact O-N 3.02Å; K396-G399 PolarHBondContact O-N 2.8Å; K396-W400 VanDerWaalsContact CA-O 3.3Å; K396-W400 WeakPolarHBondContact CA-O 3.48Å; K396-R401 VanDerWaalsContact CE-NH2 3.28Å
397	M	96.5	Very high	98	Very high	120 Å²	120	29.1 Å²	29.1	59%	0.591	15%	0.147	S	C	*	.	H	α-helix	trans	-64.4	-26.1	178.9	-70.4	-174	-74.4	0	0	112.7	G393 K394 G399	G393-M397 WeakPolarHBondContact O-CG 3.3Å; G393-M397 PolarHBondContact O-N 2.96Å; K394-M397 HydrophobicContact CD-CE 4.33Å; K394-M397 PolarHBondContact O-N 3.41Å; M397-G399 PolarHBondContact O-N 2.79Å
398	E	95.6	Very high	98	Very high	101 Å²	101	29.1 Å²	29.1	47%	0.472	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.5	172.5	-67.6	-177.8	-173	0	0	113.7	K394 M395 K396	K394-E398 WeakPolarHBondContact CE-OE1 3.32Å; K394-E398 IonicContact NZ-OE1 2.9Å; K394-E398 WeakPolarHBondContact O-CG 3.35Å; K394-E398 PolarHBondContact O-N 3.38Å; K394-E398 VanDerWaalsContact O-N 3.08Å; M395-E398 PolarHBondContact O-N 3.43Å; K396-E398 PolarHBondContact O-N 3.02Å
399	G	95.1	Very high	98	Very high	65 Å²	65	29.1 Å²	29.1	67%	0.67	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.9	0.1	173.2	0	0	0	0	0	115.3	M395 K396 M397	M395-G399 PolarHBondContact O-N 2.99Å; K396-G399 PolarHBondContact O-N 2.8Å; M397-G399 PolarHBondContact O-N 2.79Å
400	W	97.1	Very high	98	Very high	29 Å²	29	29.2 Å²	29.2	11%	0.11	15%	0.147	C	C	.	.			trans	-78.2	147	175	170.8	82	0	0	0	112	V47 L352 F392 M395 K396 P402 I406 Y575 D579	V47-W400 HydrophobicContact CG1-CB 4.28Å; V47-W400 HydrophobicContact CG1-CD2 3.99Å; V47-W400 HydrophobicContact CG1-CG 3.72Å; V47-W400 HydrophobicContact CG2-CB 4.34Å; V47-W400 HydrophobicContact CG2-CG 4.24Å; L352-W400 HydrophobicContact CD2-CH2 4.37Å; L352-W400 HydrophobicContact CD2-CZ3 3.8Å; F392-W400 AromaticContact CD1-CH2 3.56Å; F392-W400 HydrophobicContact CD1-CH2 3.56Å; F392-W400 AromaticContact CD1-CZ3 3.58Å; F392-W400 HydrophobicContact CD1-CZ3 3.58Å; F392-W400 AromaticContact CE1-CH2 3.65Å; F392-W400 HydrophobicContact CE1-CH2 3.65Å; F392-W400 HydrophobicContact CE1-CZ3 4.16Å; M395-W400 HydrophobicContact CB-CB 4.31Å; M395-W400 HydrophobicContact CB-CD2 4.21Å; M395-W400 HydrophobicContact CB-CE3 3.59Å; M395-W400 HydrophobicContact CB-CZ3 4.26Å; M395-W400 WeakPolarHBondContact O-CB 3.1Å; M395-W400 PolarHBondContact O-N 3.17Å; K396-W400 VanDerWaalsContact CA-O 3.3Å; K396-W400 WeakPolarHBondContact CA-O 3.48Å; W400-P402 HydrophobicContact CH2-CB 3.63Å; W400-P402 HydrophobicContact CH2-CG 4Å; W400-P402 HydrophobicContact CZ2-CB 3.64Å; W400-P402 HydrophobicContact CZ2-CG 4.4Å; W400-P402 HydrophobicContact CZ3-CG 4.45Å; W400-I406 HydrophobicContact CH2-CD1 4.29Å; W400-Y575 HydrophobicContact CH2-CD2 4.44Å; W400-Y575 AromaticContact CZ2-CD2 3.93Å; W400-Y575 HydrophobicContact CZ2-CD2 3.93Å; W400-Y575 AromaticContact CZ2-CE2 3.78Å; W400-Y575 HydrophobicContact CZ2-CE2 3.78Å; W400-D579 HydrophobicContact CZ2-CB 4.47Å
401	R	97.5	Very high	98.1	Very high	88 Å²	88	27.2 Å²	27.2	33%	0.332	14%	0.14	S	C	.	.			trans	-137.1	137.9	168.6	-75.5	-66.3	-166.6	157.2	-3.5	109.2	D96 R353 A355 K396	D96-R401 VanDerWaalsContact CG-NH1 3.31Å; D96-R401 IonicContact OD1-CZ 3.52Å; D96-R401 IonicContact OD1-NH1 3.18Å; D96-R401 PolarHBondContact OD1-NH1 2.95Å; D96-R401 VanDerWaalsContact OD1-NH1 3.13Å; D96-R401 IonicContact OD1-NH2 2.76Å; D96-R401 PolarHBondContact OD1-NH2 3.46Å; D96-R401 IonicContact OD2-CZ 3.57Å; D96-R401 IonicContact OD2-NH1 3.07Å; D96-R401 PolarHBondContact OD2-NH1 3.02Å; D96-R401 IonicContact OD2-NH2 3.17Å; R353-R401 PolarHBondContact O-NH1 3.16Å; A355-R401 HydrophobicContact CB-CB 3.83Å; K396-R401 VanDerWaalsContact CE-NH2 3.28Å
402	P	98.1	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.			trans	-67.2	151.1	175.1	29.1	-33.5	0	0	0	110.2	L352 G354 A355 W400 R404 I406 A578 D579	L352-P402 HydrophobicContact CD2-CG 4.04Å; L352-P402 HydrophobicContact CG-CG 4.03Å; G354-P402 CarbonylContact C-O 3.46Å; G354-P402 VanDerWaalsContact CA-O 3.23Å; G354-P402 WeakPolarHBondContact CA-O 3.34Å; A355-P402 PolarHBondContact N-O 2.91Å; W400-P402 HydrophobicContact CH2-CB 3.63Å; W400-P402 HydrophobicContact CH2-CG 4Å; W400-P402 HydrophobicContact CZ2-CB 3.64Å; W400-P402 HydrophobicContact CZ2-CG 4.4Å; W400-P402 HydrophobicContact CZ3-CG 4.45Å; P402-R404 VanDerWaalsContact C-N 3.33Å; P402-R404 VanDerWaalsContact CB-O 3.24Å; P402-R404 WeakPolarHBondContact CB-O 3.4Å; P402-R404 WeakPolarHBondContact CG-O 3.48Å; P402-R404 PolarHBondContact O-N 2.65Å; P402-I406 HydrophobicContact CB-CD1 4.08Å; P402-I406 HydrophobicContact CB-CG1 4.34Å; P402-I406 HydrophobicContact CG-CD1 4.12Å; P402-I406 HydrophobicContact CG-CG1 4.22Å; P402-A578 HydrophobicContact CB-CB 4.07Å; P402-D579 WeakPolarHBondContact CA-OD1 3.46Å
403	K	98.3	Very high	98.1	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.1	14%	0.14	C	C	.	.	S	Bend	trans	-60	-44.5	171.6	-66.4	-176.5	-177.8	67.8	0	111.4	A355 M356 E357 A578 D579 Y581	A355-K403 PolarHBondContact N-O 2.97Å; M356-K403 HydrophobicContact CB-CB 4.21Å; M356-K403 HydrophobicContact CG-CB 4.45Å; M356-K403 HydrophobicContact CG-CG 4.27Å; M356-K403 PolarHBondContact N-O 2.99Å; M356-K403 HydrophobicContact SD-CB 4.29Å; M356-K403 HydrophobicContact SD-CD 3.72Å; M356-K403 HydrophobicContact SD-CG 3.64Å; E357-K403 PolarHBondContact N-O 3.14Å; K403-A578 WeakPolarHBondContact CB-O 3.31Å; K403-A578 PolarHBondContact N-O 2.84Å; K403-D579 WeakPolarHBondContact CD-O 3.41Å; K403-D579 WeakPolarHBondContact CE-O 3.18Å; K403-D579 WeakPolarHBondContact CG-OD1 3.4Å; K403-D579 PolarHBondContact N-OD1 3.23Å; K403-D579 PolarHBondContact NZ-O 2.99Å; K403-D579 IonicContact NZ-OD1 3.99Å; K403-D579 IonicContact NZ-OD2 2.75Å; K403-Y581 HydrophobicContact CD-CD1 4.24Å; K403-Y581 HydrophobicContact CD-CE1 4.31Å; K403-Y581 HydrophobicContact CD-CG 4.38Å
404	R	98.8	Very high	98.1	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.5	179.9	-55.4	-173.2	177.8	86.5	14.4	111.3	G354 E357 R360 I362 P402 L577 A578 S580 Y581 N655	G354-R404 VanDerWaalsContact CA-C 3.46Å; G354-R404 WeakPolarHBondContact CA-O 3.29Å; E357-R404 HydrophobicContact CB-CG 4.14Å; E357-R404 IonicContact OE2-CZ 3.54Å; E357-R404 IonicContact OE2-NE 3.93Å; E357-R404 PolarHBondContact OE2-NE 3.36Å; E357-R404 IonicContact OE2-NH2 3.75Å; E357-R404 PolarHBondContact OE2-NH2 3.07Å; R360-R404 HydrophobicContact CB-CB 4.16Å; R360-R404 HydrophobicContact CB-CG 3.97Å; I362-R404 HydrophobicContact CD1-CB 3.45Å; I362-R404 VanDerWaalsContact CD1-CB 3.45Å; I362-R404 HydrophobicContact CD1-CG 4.19Å; P402-R404 VanDerWaalsContact C-N 3.33Å; P402-R404 VanDerWaalsContact CB-O 3.24Å; P402-R404 WeakPolarHBondContact CB-O 3.4Å; P402-R404 WeakPolarHBondContact CG-O 3.48Å; P402-R404 PolarHBondContact O-N 2.65Å; R404-L577 PolarHBondContact NH1-O 3.14Å; R404-A578 WeakPolarHBondContact CB-O 3.36Å; R404-A578 PolarHBondContact N-O 2.93Å; R404-S580 PolarHBondContact NH1-O 3.22Å; R404-S580 PolarHBondContact NH2-O 3.29Å; R404-Y581 PolarHBondContact NH2-O 3.48Å; R404-Y581 VanDerWaalsContact NH2-O 3.09Å; R404-N655 PolarHBondContact NH2-ND2 2.8Å
405	T	98.9	Very high	98.1	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.7	177.7	-68.8	0	0	0	0	110.6	I351 L352 G354 P358 R360 Y361 I362 I407	I351-T405 HydrophobicContact CG2-CG2 3.83Å; L352-T405 WeakPolarHBondContact O-CA 3.5Å; G354-T405 PolarHBondContact N-OG1 3.42Å; P358-T405 WeakPolarHBondContact CA-OG1 3.44Å; P358-T405 PolarHBondContact O-OG1 3.36Å; R360-T405 PolarHBondContact O-N 2.89Å; Y361-T405 WeakPolarHBondContact CA-O 3.33Å; Y361-T405 HydrophobicContact CD1-CG2 4.04Å; Y361-T405 HydrophobicContact CE1-CG2 4.36Å; I362-T405 PolarHBondContact N-O 2.99Å; T405-I407 HydrophobicContact CG2-CG1 4.16Å
406	I	98.9	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128	170.7	-53.7	172.6	0	0	0	108.4	L352 I362 F392 W400 P402 F408 V574 A578	L352-I406 HydrophobicContact CB-CB 4.33Å; L352-I406 HydrophobicContact CD2-CD1 4.32Å; L352-I406 PolarHBondContact N-O 3.39Å; L352-I406 PolarHBondContact O-N 2.77Å; I362-I406 CarbonylContact O-C 3.59Å; I362-I406 WeakPolarHBondContact O-CA 3.44Å; F392-I406 HydrophobicContact CD1-CD1 4.1Å; F392-I406 HydrophobicContact CE1-CD1 3.81Å; F392-I406 HydrophobicContact CZ-CD1 4.23Å; W400-I406 HydrophobicContact CH2-CD1 4.29Å; P402-I406 HydrophobicContact CB-CD1 4.08Å; P402-I406 HydrophobicContact CB-CG1 4.34Å; P402-I406 HydrophobicContact CG-CD1 4.12Å; P402-I406 HydrophobicContact CG-CG1 4.22Å; I406-F408 HydrophobicContact CB-CE2 4.28Å; I406-F408 HydrophobicContact CB-CZ 4.37Å; I406-F408 HydrophobicContact CG2-CD1 4.36Å; I406-F408 HydrophobicContact CG2-CD2 4.25Å; I406-F408 HydrophobicContact CG2-CE1 3.84Å; I406-F408 HydrophobicContact CG2-CE2 3.72Å; I406-F408 HydrophobicContact CG2-CZ 3.5Å; I406-F408 VanDerWaalsContact CG2-CZ 3.5Å; I406-V574 HydrophobicContact CD1-CG1 3.88Å; I406-V574 HydrophobicContact CG1-CG1 4.22Å; I406-V574 HydrophobicContact CG2-CG1 3.73Å; I406-A578 HydrophobicContact CD1-CB 3.74Å; I406-A578 HydrophobicContact CG1-CB 3.62Å
407	I	98.9	Very high	98.1	Very high	11 Å²	11	22.5 Å²	22.5	6%	0.056	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.5	174.2	-56.3	179.9	0	0	0	107.7	I349 G350 Y361 I362 I363 L364 T405 W424	I349-I407 HydrophobicContact CG2-CG2 3.97Å; G350-I407 CarbonylContact O-C 3.53Å; G350-I407 WeakPolarHBondContact O-CA 3.44Å; Y361-I407 HydrophobicContact CD1-CD1 4.25Å; Y361-I407 HydrophobicContact CD2-CD1 3.88Å; Y361-I407 HydrophobicContact CE2-CD1 4.48Å; Y361-I407 HydrophobicContact CG-CD1 3.76Å; I362-I407 PolarHBondContact O-N 2.93Å; I363-I407 CarbonylContact C-O 3.58Å; I363-I407 VanDerWaalsContact CA-O 3.31Å; I363-I407 WeakPolarHBondContact CA-O 3.47Å; I363-I407 HydrophobicContact CG1-CB 4.26Å; I363-I407 HydrophobicContact CG1-CD1 4.48Å; L364-I407 PolarHBondContact N-O 3.29Å; T405-I407 HydrophobicContact CG2-CG1 4.16Å; I407-W424 HydrophobicContact CD1-CH2 4.36Å; I407-W424 HydrophobicContact CG2-CH2 4.39Å
408	F	98.9	Very high	98.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.9	171.8	-59.9	-77.8	0	0	0	109.2	W90 L95 G350 L352 L364 L385 I388 V389 F392 I406	W90-F408 HydrophobicContact CH2-CB 3.92Å; W90-F408 HydrophobicContact CZ2-CB 4.28Å; W90-F408 HydrophobicContact CZ3-CB 4.08Å; L95-F408 HydrophobicContact CD1-CD2 3.86Å; L95-F408 HydrophobicContact CD2-CD2 4.01Å; L95-F408 HydrophobicContact CD2-CE2 3.86Å; G350-F408 PolarHBondContact N-O 3.32Å; G350-F408 PolarHBondContact O-N 3.4Å; L352-F408 HydrophobicContact CB-CE2 4.27Å; L364-F408 HydrophobicContact CB-CD1 4.02Å; L364-F408 HydrophobicContact CB-CE1 4.33Å; L364-F408 HydrophobicContact CD2-CD1 3.93Å; L364-F408 HydrophobicContact CD2-CE1 3.85Å; L364-F408 HydrophobicContact CG-CD1 4.43Å; L364-F408 WeakPolarHBondContact O-CA 3.46Å; L385-F408 HydrophobicContact CD1-CD1 4.04Å; I388-F408 HydrophobicContact CG2-CE1 4.29Å; V389-F408 HydrophobicContact CG2-CB 4.02Å; V389-F408 HydrophobicContact CG2-CD1 3.44Å; V389-F408 VanDerWaalsContact CG2-CD1 3.44Å; V389-F408 HydrophobicContact CG2-CD2 4.16Å; V389-F408 HydrophobicContact CG2-CE1 3.84Å; V389-F408 HydrophobicContact CG2-CG 3.61Å; V389-F408 HydrophobicContact CG2-CZ 4.34Å; F392-F408 HydrophobicContact CB-CZ 4.14Å; F392-F408 HydrophobicContact CD2-CE1 4.21Å; F392-F408 AromaticContact CD2-CZ 3.84Å; F392-F408 HydrophobicContact CD2-CZ 3.84Å; F392-F408 HydrophobicContact CG-CZ 4.13Å; I406-F408 HydrophobicContact CB-CE2 4.28Å; I406-F408 HydrophobicContact CB-CZ 4.37Å; I406-F408 HydrophobicContact CG2-CD1 4.36Å; I406-F408 HydrophobicContact CG2-CD2 4.25Å; I406-F408 HydrophobicContact CG2-CE1 3.84Å; I406-F408 HydrophobicContact CG2-CE2 3.72Å; I406-F408 HydrophobicContact CG2-CZ 3.5Å; I406-F408 VanDerWaalsContact CG2-CZ 3.5Å
409	A	98.9	Very high	98.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.3	-178.2	0	0	0	0	0	112.8	V348 I349 L364 G365 G366 L385 W411	V348-A409 WeakPolarHBondContact O-CA 3.24Å; I349-A409 HydrophobicContact CD1-CB 3.95Å; L364-A409 PolarHBondContact O-N 3.17Å; G365-A409 VanDerWaalsContact CA-O 3.3Å; G365-A409 WeakPolarHBondContact CA-O 3.33Å; G366-A409 PolarHBondContact N-O 3.47Å; G366-A409 VanDerWaalsContact N-O 3.1Å; L385-A409 WeakPolarHBondContact CD2-O 3.23Å; A409-W411 HydrophobicContact CB-CD2 3.92Å; A409-W411 HydrophobicContact CB-CE3 4.13Å; A409-W411 HydrophobicContact CB-CH2 3.34Å; A409-W411 HydrophobicContact CB-CZ2 3.09Å; A409-W411 HydrophobicContact CB-CZ3 3.88Å
410	S	98.9	Very high	98.6	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.014	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	102.6	168.7	178.7	0	0	0	0	107.8	N347 V348 G366 R368	N347-S410 CarbonylContact C-O 3.56Å; N347-S410 VanDerWaalsContact CA-O 3.31Å; N347-S410 WeakPolarHBondContact CA-O 3.11Å; V348-S410 PolarHBondContact N-O 3.34Å; V348-S410 PolarHBondContact O-N 2.9Å; G366-S410 WeakPolarHBondContact O-CA 3.46Å; R368-S410 WeakPolarHBondContact CB-OG 3.47Å; R368-S410 PolarHBondContact NH1-O 2.9Å; R368-S410 PolarHBondContact NH1-OG 3.01Å
411	W	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	153.8	-175.5	-51.2	123.3	0	0	0	111.8	N347 I349 G366 H367 R368 A409 W424 Y439 D510 Y514	N347-W411 HydrophobicContact CB-CE3 4.06Å; N347-W411 HydrophobicContact CB-CZ3 4.3Å; I349-W411 HydrophobicContact CD1-CE3 4.41Å; I349-W411 HydrophobicContact CD1-CH2 3.85Å; I349-W411 HydrophobicContact CD1-CZ3 3.54Å; G366-W411 PolarHBondContact O-N 3.23Å; H367-W411 CarbonylContact C-O 3.55Å; H367-W411 WeakPolarHBondContact CA-O 3.39Å; H367-W411 HydrophobicContact CB-CB 4.14Å; R368-W411 PolarHBondContact N-O 3.36Å; A409-W411 HydrophobicContact CB-CD2 3.92Å; A409-W411 HydrophobicContact CB-CE3 4.13Å; A409-W411 HydrophobicContact CB-CH2 3.34Å; A409-W411 HydrophobicContact CB-CZ2 3.09Å; A409-W411 HydrophobicContact CB-CZ3 3.88Å; W411-W424 HydrophobicContact CH2-CB 4.27Å; W411-W424 AromaticContact CH2-CD2 3.76Å; W411-W424 HydrophobicContact CH2-CD2 3.76Å; W411-W424 AromaticContact CH2-CE3 3.58Å; W411-W424 HydrophobicContact CH2-CE3 3.58Å; W411-W424 HydrophobicContact CH2-CG 4.07Å; W411-W424 HydrophobicContact CH2-CZ3 4.12Å; W411-W424 HydrophobicContact CZ3-CB 3.72Å; W411-W424 AromaticContact CZ3-CD2 3.94Å; W411-W424 HydrophobicContact CZ3-CD2 3.94Å; W411-W424 HydrophobicContact CZ3-CE3 4.19Å; W411-W424 AromaticContact CZ3-CG 3.74Å; W411-W424 HydrophobicContact CZ3-CG 3.74Å; W411-Y439 HydrophobicContact CZ2-CE2 4.2Å; W411-Y439 AromaticContact NE1-CE2 3.96Å; W411-Y439 AromaticContact NE1-CZ 3.9Å; W411-Y439 PolarHBondContact NE1-OH 3.07Å; W411-D510 VanDerWaalsContact CD1-OD2 3.3Å; W411-D510 HydrophobicContact CG-CB 4.38Å; W411-Y514 WeakPolarHBondContact CH2-OH 3.49Å; W411-Y514 HydrophobicContact CZ2-CE2 4.3Å; W411-Y514 AromaticContact CZ2-CZ 3.86Å; W411-Y514 WeakPolarHBondContact CZ2-OH 3.34Å
412	D	98.9	Very high	98.7	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.005	2%	0.02	C	C	.	.	S	Bend	trans	-120.9	159.8	174.4	-165.6	-0.4	0	0	0	110.2	A74 N79 I345 Y346 N347 R368 D369 E414 G420	A74-D412 WeakPolarHBondContact CA-OD1 3.1Å; A74-D412 WeakPolarHBondContact CB-OD1 3.48Å; N79-D412 PolarHBondContact ND2-OD1 3.22Å; N79-D412 PolarHBondContact ND2-OD2 3.37Å; I345-D412 WeakPolarHBondContact CA-OD2 3.28Å; I345-D412 HydrophobicContact CB-CB 4.13Å; Y346-D412 PolarHBondContact N-OD2 3.43Å; Y346-D412 WeakPolarHBondContact O-CB 3.3Å; N347-D412 PolarHBondContact OD1-N 2.81Å; R368-D412 IonicContact NH2-OD2 3.23Å; D369-D412 WeakPolarHBondContact OD1-CA 3.47Å; D412-E414 PolarHBondContact O-N 3.45Å; D412-G420 WeakPolarHBondContact O-CA 3.27Å; D412-G420 PolarHBondContact O-N 2.95Å
413	A	98.8	Very high	98.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.			trans	50.9	35.9	-177.9	0	0	0	0	0	115.1	A74 L107 I345 D369 E415 F416 L419	A74-A413 HydrophobicContact CB-CB 3.8Å; L107-A413 HydrophobicContact CD2-CB 3.96Å; I345-A413 HydrophobicContact CB-CB 4.41Å; I345-A413 HydrophobicContact CD1-CB 4Å; I345-A413 HydrophobicContact CG2-CB 3.73Å; D369-A413 PolarHBondContact OD1-N 2.93Å; D369-A413 WeakPolarHBondContact OD2-CA 3.38Å; D369-A413 PolarHBondContact OD2-N 2.77Å; A413-E415 VanDerWaalsContact C-N 3.29Å; A413-F416 HydrophobicContact CB-CB 4.37Å; A413-F416 PolarHBondContact O-N 2.79Å; A413-L419 HydrophobicContact CB-CB 3.85Å; A413-L419 HydrophobicContact CB-CD1 4.19Å; A413-L419 HydrophobicContact CB-CG 4.27Å; A413-L419 WeakPolarHBondContact O-CB 3.41Å; A413-L419 WeakPolarHBondContact O-CG 2.96Å; A413-L419 PolarHBondContact O-N 3.06Å
414	E	98.8	Very high	98.8	Very high	16 Å²	16	3.5 Å²	3.5	8%	0.075	2%	0.019	C	C	.	.	S	Bend	trans	-63.6	-42.2	169.5	-169.6	-76.3	167.2	0	0	110.4	H367 D369 D412 F416 G417 L418 S509 D510	H367-E414 HydrophobicContact CB-CB 3.26Å; H367-E414 HydrophobicContact CB-CG 3.81Å; H367-E414 IonicContact CE1-OE2 2.78Å; H367-E414 IonicContact ND1-OE2 2.98Å; H367-E414 IonicContact NE2-OE2 2.72Å; D369-E414 PolarHBondContact OD1-N 2.91Å; D369-E414 PolarHBondContact OD2-N 3.41Å; D412-E414 PolarHBondContact O-N 3.45Å; E414-F416 PolarHBondContact O-N 3.28Å; E414-G417 PolarHBondContact O-N 2.79Å; E414-L418 VanDerWaalsContact CD-CD2 3.5Å; E414-L418 HydrophobicContact CG-CD2 3.58Å; E414-L418 PolarHBondContact O-N 2.81Å; E414-L418 WeakPolarHBondContact OE1-CD2 3.37Å; E414-S509 WeakPolarHBondContact OE1-CA 3.49Å; E414-D510 WeakPolarHBondContact CG-OD1 3.48Å
415	E	98.6	Very high	98.8	Very high	4 Å²	4	3.5 Å²	3.5	2%	0.019	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.5	-174.5	-72	-76.5	-145.4	0	0	112.5	N247 D369 W371 A413 H543	N247-E415 WeakPolarHBondContact CB-O 3.24Å; N247-E415 PolarHBondContact ND2-O 2.99Å; D369-E415 WeakPolarHBondContact OD2-CB 3.27Å; D369-E415 PolarHBondContact OD2-N 3.43Å; D369-E415 VanDerWaalsContact OD2-N 3.09Å; W371-E415 HydrophobicContact CZ2-CB 4.04Å; W371-E415 WeakPolarHBondContact CZ2-O 3.41Å; W371-E415 PolarHBondContact NE1-OE1 3.34Å; W371-E415 PolarHBondContact NE1-OE2 3.2Å; A413-E415 VanDerWaalsContact C-N 3.29Å; E415-H543 IonicContact OE1-CD2 2.92Å; E415-H543 IonicContact OE1-CE1 3.07Å; E415-H543 IonicContact OE1-NE2 2.63Å; E415-H543 PolarHBondContact OE1-NE2 3.32Å; E415-H543 VanDerWaalsContact OE1-NE2 3.11Å; E415-H543 IonicContact OE2-CE1 2.93Å; E415-H543 PolarHBondContact OE2-CE1 3.31Å; E415-H543 IonicContact OE2-ND1 2.98Å; E415-H543 IonicContact OE2-NE2 3.92Å; E415-H543 PolarHBondContact OE2-NE2 2.75Å
416	F	98.7	Very high	98.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7	176.1	-71.2	-90.6	0	0	0	113.7	L73 A74 L107 S108 Y109 A153 F154 L249 W371 A413 E414 L419	L73-F416 HydrophobicContact CD1-CE2 3.6Å; L73-F416 HydrophobicContact CD1-CZ 3.91Å; L73-F416 HydrophobicContact CD2-CZ 4.18Å; L73-F416 HydrophobicContact CG-CE2 4.02Å; L73-F416 HydrophobicContact CG-CZ 4.19Å; A74-F416 HydrophobicContact CB-CD2 3.69Å; A74-F416 HydrophobicContact CB-CE2 3.72Å; L107-F416 HydrophobicContact CB-CD1 4.37Å; L107-F416 HydrophobicContact CB-CE1 4.45Å; L107-F416 HydrophobicContact CD2-CB 3.71Å; L107-F416 HydrophobicContact CD2-CD1 3.99Å; L107-F416 HydrophobicContact CD2-CD2 4.09Å; L107-F416 HydrophobicContact CD2-CG 3.65Å; S108-F416 WeakPolarHBondContact O-CE1 2.86Å; Y109-F416 HydrophobicContact CE1-CZ 4.37Å; A153-F416 HydrophobicContact CB-CD1 4Å; A153-F416 HydrophobicContact CB-CE1 3.72Å; F154-F416 HydrophobicContact CE2-CB 4.1Å; F154-F416 AromaticContact CE2-CD1 3.66Å; F154-F416 HydrophobicContact CE2-CD1 3.66Å; F154-F416 HydrophobicContact CE2-CG 4.38Å; F154-F416 WeakPolarHBondContact CE2-O 3.22Å; F154-F416 HydrophobicContact CZ-CB 4.23Å; F154-F416 AromaticContact CZ-CD1 3.85Å; F154-F416 HydrophobicContact CZ-CD1 3.85Å; L249-F416 WeakPolarHBondContact CD1-O 3.33Å; W371-F416 HydrophobicContact CH2-CE1 4.28Å; W371-F416 HydrophobicContact CH2-CZ 4.16Å; W371-F416 HydrophobicContact CZ3-CZ 4.16Å; A413-F416 HydrophobicContact CB-CB 4.37Å; A413-F416 PolarHBondContact O-N 2.79Å; E414-F416 PolarHBondContact O-N 3.28Å; F416-L419 HydrophobicContact CB-CD1 3.78Å; F416-L419 HydrophobicContact CB-CG 4.2Å
417	G	97.5	Very high	98.8	Very high	6 Å²	6	7.7 Å²	7.7	6%	0.062	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.5	36.4	173.8	0	0	0	0	0	114.7	L251 E414 L419	L251-G417 WeakPolarHBondContact CD1-O 3.45Å; E414-G417 PolarHBondContact O-N 2.79Å; G417-L419 VanDerWaalsContact C-N 3.3Å; G417-L419 PolarHBondContact O-N 3.21Å
418	L	98.6	Very high	98.8	Very high	7 Å²	7	9.2 Å²	9.2	4%	0.037	5%	0.046	C	C	.	.	S	Bend	trans	64.3	33.4	179.7	-39.5	-177.1	0	0	0	112.3	E414 S421 T422 S509 E512	E414-L418 VanDerWaalsContact CD-CD2 3.5Å; E414-L418 HydrophobicContact CG-CD2 3.58Å; E414-L418 PolarHBondContact O-N 2.81Å; E414-L418 WeakPolarHBondContact OE1-CD2 3.37Å; L418-S421 PolarHBondContact O-OG 2.8Å; L418-T422 WeakPolarHBondContact O-CB 3.41Å; L418-T422 PolarHBondContact O-N 3.02Å; L418-T422 PolarHBondContact O-OG1 3.24Å; L418-S509 WeakPolarHBondContact CD1-O 3.39Å; L418-E512 HydrophobicContact CD1-CB 3.39Å; L418-E512 HydrophobicContact CD1-CG 4.07Å; L418-E512 VanDerWaalsContact CD1-OE2 3.25Å; L418-E512 WeakPolarHBondContact CD1-OE2 3.46Å
419	L	98.8	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.2	-57.7	-164.8	-54.2	-172.2	0	0	0	110.7	V105 L107 L251 I345 A413 F416 G417 S421 T422 E423	V105-L419 HydrophobicContact CB-CD1 4.13Å; V105-L419 HydrophobicContact CG2-CD1 3.88Å; L107-L419 HydrophobicContact CD2-CD1 3.68Å; L251-L419 HydrophobicContact CD1-CD2 4.28Å; I345-L419 HydrophobicContact CD1-CB 4.38Å; A413-L419 HydrophobicContact CB-CB 3.85Å; A413-L419 HydrophobicContact CB-CD1 4.19Å; A413-L419 HydrophobicContact CB-CG 4.27Å; A413-L419 WeakPolarHBondContact O-CB 3.41Å; A413-L419 WeakPolarHBondContact O-CG 2.96Å; A413-L419 PolarHBondContact O-N 3.06Å; F416-L419 HydrophobicContact CB-CD1 3.78Å; F416-L419 HydrophobicContact CB-CG 4.2Å; G417-L419 VanDerWaalsContact C-N 3.3Å; G417-L419 PolarHBondContact O-N 3.21Å; L419-S421 VanDerWaalsContact C-N 3.35Å; L419-S421 PolarHBondContact O-N 3.19Å; L419-T422 PolarHBondContact O-N 3.1Å; L419-T422 VanDerWaalsContact O-N 3.12Å; L419-E423 WeakPolarHBondContact O-CB 3.5Å; L419-E423 VanDerWaalsContact O-CG 3.26Å; L419-E423 WeakPolarHBondContact O-CG 3.16Å; L419-E423 PolarHBondContact O-N 2.87Å
420	G	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-40.8	-174.9	0	0	0	0	0	114	N347 D412 W424	N347-G420 PolarHBondContact ND2-O 3.14Å; N347-G420 WeakPolarHBondContact OD1-CA 3.49Å; D412-G420 WeakPolarHBondContact O-CA 3.27Å; D412-G420 PolarHBondContact O-N 2.95Å; G420-W424 WeakPolarHBondContact O-CB 3.36Å; G420-W424 PolarHBondContact O-N 2.9Å
421	S	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.3	-39.2	176.4	56.4	0	0	0	0	112.6	L418 L419 A425 D510	L418-S421 PolarHBondContact O-OG 2.8Å; L419-S421 VanDerWaalsContact C-N 3.35Å; L419-S421 PolarHBondContact O-N 3.19Å; S421-A425 WeakPolarHBondContact O-CB 3.44Å; S421-A425 PolarHBondContact O-N 2.93Å; S421-D510 WeakPolarHBondContact CB-OD1 3.22Å; S421-D510 WeakPolarHBondContact OG-CB 3.26Å; S421-D510 PolarHBondContact OG-OD1 3.02Å
422	T	98.9	Very high	98.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-70	-45.2	178.8	-56.3	0	0	0	0	111.8	L418 L419 W424 A425 E426 A513	L418-T422 WeakPolarHBondContact O-CB 3.41Å; L418-T422 PolarHBondContact O-N 3.02Å; L418-T422 PolarHBondContact O-OG1 3.24Å; L419-T422 PolarHBondContact O-N 3.1Å; L419-T422 VanDerWaalsContact O-N 3.12Å; T422-W424 VanDerWaalsContact C-N 3.27Å; T422-W424 PolarHBondContact O-N 2.88Å; T422-A425 CarbonylContact O-C 3.52Å; T422-A425 WeakPolarHBondContact O-CB 3.41Å; T422-A425 PolarHBondContact O-N 3.15Å; T422-A425 VanDerWaalsContact O-N 3.13Å; T422-E426 HydrophobicContact CG2-CG 4.5Å; T422-E426 WeakPolarHBondContact O-CG 3.24Å; T422-E426 PolarHBondContact O-N 3.36Å; T422-A513 HydrophobicContact CG2-CB 4.17Å
423	E	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-39.4	177.3	-65.3	-46.6	116.8	0	0	111.4	Y103 V105 D256 P263 A264 L419 E426 E427	Y103-E423 HydrophobicContact CD1-CB 3.76Å; Y103-E423 HydrophobicContact CD1-CG 4.42Å; Y103-E423 HydrophobicContact CD2-CB 3.67Å; Y103-E423 HydrophobicContact CD2-CG 4.4Å; Y103-E423 HydrophobicContact CE1-CB 3.9Å; Y103-E423 HydrophobicContact CE2-CB 3.81Å; Y103-E423 HydrophobicContact CG-CB 3.65Å; Y103-E423 HydrophobicContact CG-CG 4.12Å; V105-E423 HydrophobicContact CG1-CG 3.89Å; D256-E423 VanDerWaalsContact CB-OE1 3.31Å; D256-E423 WeakPolarHBondContact CB-OE1 3.21Å; D256-E423 PolarHBondContact N-OE1 2.88Å; P263-E423 WeakPolarHBondContact CA-OE2 3.34Å; A264-E423 HydrophobicContact CB-CG 4.44Å; A264-E423 WeakPolarHBondContact CB-OE2 3.44Å; A264-E423 PolarHBondContact N-OE2 2.85Å; L419-E423 WeakPolarHBondContact O-CB 3.5Å; L419-E423 VanDerWaalsContact O-CG 3.26Å; L419-E423 WeakPolarHBondContact O-CG 3.16Å; L419-E423 PolarHBondContact O-N 2.87Å; E423-E426 PolarHBondContact O-N 2.87Å; E423-E427 PolarHBondContact O-N 3.29Å
424	W	98.9	Very high	98.6	Very high	18 Å²	18	31.3 Å²	31.3	7%	0.068	15%	0.147	C	C	.	.	H	α-helix	trans	-70	-36.6	175.6	-166.3	90.9	0	0	0	113.4	Y103 I349 I407 W411 G420 T422 E426 N428 L432 Y514	Y103-W424 HydrophobicContact CE2-CB 4.22Å; Y103-W424 WeakPolarHBondContact OH-CA 3.16Å; I349-W424 HydrophobicContact CD1-CD2 4.39Å; I349-W424 HydrophobicContact CD1-CG 4.46Å; I349-W424 HydrophobicContact CD1-CZ2 4.4Å; I349-W424 HydrophobicContact CG2-CZ2 4.2Å; I407-W424 HydrophobicContact CD1-CH2 4.36Å; I407-W424 HydrophobicContact CG2-CH2 4.39Å; W411-W424 HydrophobicContact CH2-CB 4.27Å; W411-W424 AromaticContact CH2-CD2 3.76Å; W411-W424 HydrophobicContact CH2-CD2 3.76Å; W411-W424 AromaticContact CH2-CE3 3.58Å; W411-W424 HydrophobicContact CH2-CE3 3.58Å; W411-W424 HydrophobicContact CH2-CG 4.07Å; W411-W424 HydrophobicContact CH2-CZ3 4.12Å; W411-W424 HydrophobicContact CZ3-CB 3.72Å; W411-W424 AromaticContact CZ3-CD2 3.94Å; W411-W424 HydrophobicContact CZ3-CD2 3.94Å; W411-W424 HydrophobicContact CZ3-CE3 4.19Å; W411-W424 AromaticContact CZ3-CG 3.74Å; W411-W424 HydrophobicContact CZ3-CG 3.74Å; G420-W424 WeakPolarHBondContact O-CB 3.36Å; G420-W424 PolarHBondContact O-N 2.9Å; T422-W424 VanDerWaalsContact C-N 3.27Å; T422-W424 PolarHBondContact O-N 2.88Å; W424-E426 VanDerWaalsContact C-N 3.31Å; W424-N428 PolarHBondContact NE1-ND2 3.36Å; W424-N428 WeakPolarHBondContact O-CB 3.29Å; W424-N428 PolarHBondContact O-N 3.42Å; W424-N428 PolarHBondContact O-ND2 3.22Å; W424-L432 HydrophobicContact CE3-CD1 4.01Å; W424-L432 HydrophobicContact CH2-CD2 4.02Å; W424-L432 HydrophobicContact CZ3-CD1 3.67Å; W424-L432 HydrophobicContact CZ3-CD2 3.79Å; W424-L432 HydrophobicContact CZ3-CG 4.26Å; W424-Y514 HydrophobicContact CE3-CE1 4.43Å; W424-Y514 VanDerWaalsContact CE3-OH 3.22Å; W424-Y514 HydrophobicContact CZ3-CE1 4.22Å
425	A	98.9	Very high	98.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-34.2	171.4	0	0	0	0	0	112.1	S421 T422 A429 L432 A513 L518	S421-A425 WeakPolarHBondContact O-CB 3.44Å; S421-A425 PolarHBondContact O-N 2.93Å; T422-A425 CarbonylContact O-C 3.52Å; T422-A425 WeakPolarHBondContact O-CB 3.41Å; T422-A425 PolarHBondContact O-N 3.15Å; T422-A425 VanDerWaalsContact O-N 3.13Å; A425-A429 WeakPolarHBondContact O-CA 3.32Å; A425-A429 VanDerWaalsContact O-CB 3.28Å; A425-A429 WeakPolarHBondContact O-CB 3.26Å; A425-A429 PolarHBondContact O-N 3.1Å; A425-L432 HydrophobicContact CB-CD1 4.49Å; A425-A513 HydrophobicContact CB-CB 3.83Å; A425-L518 HydrophobicContact CB-CD1 4Å
426	E	98.7	Very high	98.6	Very high	20 Å²	20	35 Å²	35	9%	0.093	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-48.3	174.2	-72.4	-174.4	167.7	0	0	112.3	G261 Y262 T422 E423 W424 N428 A429 R517	G261-E426 WeakPolarHBondContact CA-OE1 3.34Å; G261-E426 PolarHBondContact N-OE1 3.12Å; Y262-E426 WeakPolarHBondContact CA-OE2 3.45Å; Y262-E426 PolarHBondContact N-OE2 3.05Å; Y262-E426 VanDerWaalsContact O-OE2 3.08Å; T422-E426 HydrophobicContact CG2-CG 4.5Å; T422-E426 WeakPolarHBondContact O-CG 3.24Å; T422-E426 PolarHBondContact O-N 3.36Å; E423-E426 PolarHBondContact O-N 2.87Å; W424-E426 VanDerWaalsContact C-N 3.31Å; E426-N428 PolarHBondContact O-N 3.27Å; E426-A429 PolarHBondContact O-N 3.04Å; E426-R517 VanDerWaalsContact CD-NH1 3.3Å; E426-R517 IonicContact OE1-CZ 3.88Å; E426-R517 IonicContact OE1-NH1 3.79Å; E426-R517 PolarHBondContact OE1-NH1 3.03Å; E426-R517 IonicContact OE1-NH2 3.31Å; E426-R517 PolarHBondContact OE1-NH2 2.91Å
427	E	98.9	Very high	98.6	Very high	73 Å²	73	35 Å²	35	34%	0.341	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-39.5	177.6	-174.2	159.2	-151.1	0	0	111.3	Y103 P263 K265 E423	Y103-E427 HydrophobicContact CE1-CB 4.39Å; Y103-E427 VanDerWaalsContact CE1-OE2 3.24Å; Y103-E427 WeakPolarHBondContact CE1-OE2 3.4Å; Y103-E427 PolarHBondContact OH-OE2 2.9Å; P263-E427 HydrophobicContact CB-CB 3.72Å; P263-E427 HydrophobicContact CB-CG 4.43Å; P263-E427 HydrophobicContact CG-CB 3.94Å; P263-E427 HydrophobicContact CG-CG 4.33Å; K265-E427 VanDerWaalsContact CE-OE1 3.24Å; K265-E427 WeakPolarHBondContact CE-OE1 3.46Å; K265-E427 VanDerWaalsContact NZ-CD 3.31Å; K265-E427 IonicContact NZ-OE1 3.57Å; K265-E427 PolarHBondContact NZ-OE1 3.25Å; K265-E427 IonicContact NZ-OE2 3.69Å; K265-E427 PolarHBondContact NZ-OE2 2.94Å; E423-E427 PolarHBondContact O-N 3.29Å
428	N	98.8	Very high	98.6	Very high	44 Å²	44	34.7 Å²	34.7	24%	0.235	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.1	-173.4	-62.1	-82.2	0	0	0	113.8	W424 E426 R430 V431 L432	W424-N428 PolarHBondContact NE1-ND2 3.36Å; W424-N428 WeakPolarHBondContact O-CB 3.29Å; W424-N428 PolarHBondContact O-N 3.42Å; W424-N428 PolarHBondContact O-ND2 3.22Å; E426-N428 PolarHBondContact O-N 3.27Å; N428-R430 VanDerWaalsContact C-N 3.28Å; N428-R430 PolarHBondContact O-N 2.96Å; N428-R430 VanDerWaalsContact O-N 3.13Å; N428-V431 PolarHBondContact O-N 3.32Å; N428-L432 HydrophobicContact CB-CD1 3.82Å; N428-L432 HydrophobicContact CB-CG 3.86Å; N428-L432 WeakPolarHBondContact O-CG 3.3Å; N428-L432 PolarHBondContact O-N 3.12Å
429	A	98.3	Very high	98.7	Very high	22 Å²	22	34.4 Å²	34.4	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-51.2	-46.1	-170.8	0	0	0	0	0	112.8	A425 E426 V431 L432 Q433 L518	A425-A429 WeakPolarHBondContact O-CA 3.32Å; A425-A429 VanDerWaalsContact O-CB 3.28Å; A425-A429 WeakPolarHBondContact O-CB 3.26Å; A425-A429 PolarHBondContact O-N 3.1Å; E426-A429 PolarHBondContact O-N 3.04Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-V431 PolarHBondContact O-N 2.82Å; A429-L432 PolarHBondContact O-N 3.49Å; A429-Q433 VanDerWaalsContact O-CB 3.27Å; A429-Q433 WeakPolarHBondContact O-CB 3.48Å; A429-Q433 WeakPolarHBondContact O-CG 3.49Å; A429-Q433 PolarHBondContact O-N 2.97Å; A429-L518 HydrophobicContact CB-CD2 4.07Å
430	R	97.4	Very high	98.7	Very high	220 Å²	220	34.4 Å²	34.4	83%	0.83	16%	0.156	S	C	*	.	H	α-helix	trans	-60.5	-38.1	179.9	-64.6	-174.5	-179.4	-171.9	0.4	112.9	N428 E434	N428-R430 VanDerWaalsContact C-N 3.28Å; N428-R430 PolarHBondContact O-N 2.96Å; N428-R430 VanDerWaalsContact O-N 3.13Å; R430-E434 WeakPolarHBondContact O-CG 3.42Å
431	V	98.6	Very high	98.7	Very high	54 Å²	54	34.5 Å²	34.5	33%	0.327	16%	0.156	S	C	.	.	H	α-helix	trans	-79.8	-45.1	-179.3	-172.1	0	0	0	0	109.8	Y361 N428 A429 Q433 E434 R435	Y361-V431 HydrophobicContact CE2-CG1 3.61Å; N428-V431 PolarHBondContact O-N 3.32Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-V431 PolarHBondContact O-N 2.82Å; V431-Q433 PolarHBondContact O-N 2.95Å; V431-E434 PolarHBondContact O-N 2.93Å; V431-R435 HydrophobicContact CG1-CG 4.3Å; V431-R435 VanDerWaalsContact O-CB 3.23Å; V431-R435 WeakPolarHBondContact O-CB 3.35Å; V431-R435 WeakPolarHBondContact O-CG 3.38Å; V431-R435 PolarHBondContact O-N 3.41Å
432	L	98.8	Very high	98.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-39.7	-177.9	-65.9	175.9	0	0	0	112.4	Y361 I363 W424 A425 N428 A429 E434 R435 A436 Y514 L518 I520 R663	Y361-L432 HydrophobicContact CD2-CD2 4.41Å; I363-L432 HydrophobicContact CD1-CD2 3.79Å; W424-L432 HydrophobicContact CE3-CD1 4.01Å; W424-L432 HydrophobicContact CH2-CD2 4.02Å; W424-L432 HydrophobicContact CZ3-CD1 3.67Å; W424-L432 HydrophobicContact CZ3-CD2 3.79Å; W424-L432 HydrophobicContact CZ3-CG 4.26Å; A425-L432 HydrophobicContact CB-CD1 4.49Å; N428-L432 HydrophobicContact CB-CD1 3.82Å; N428-L432 HydrophobicContact CB-CG 3.86Å; N428-L432 WeakPolarHBondContact O-CG 3.3Å; N428-L432 PolarHBondContact O-N 3.12Å; A429-L432 PolarHBondContact O-N 3.49Å; L432-E434 PolarHBondContact O-N 3.2Å; L432-R435 PolarHBondContact O-N 3.04Å; L432-A436 HydrophobicContact CB-CB 4.41Å; L432-A436 HydrophobicContact CD2-CB 4.31Å; L432-A436 WeakPolarHBondContact O-CB 3.46Å; L432-A436 PolarHBondContact O-N 2.59Å; L432-Y514 HydrophobicContact CD1-CE1 4.06Å; L432-L518 HydrophobicContact CB-CD1 4.08Å; L432-L518 HydrophobicContact CD1-CD1 4.02Å; L432-I520 HydrophobicContact CB-CD1 4.12Å; L432-R663 PolarHBondContact O-NH2 3.21Å
433	Q	97.4	Very high	98.5	Very high	56 Å²	56	34.7 Å²	34.7	26%	0.262	16%	0.157	S	C	.	.	H	α-helix	trans	-60.1	-37.5	178	-76.3	174.2	-29.5	0	0	111.8	A429 V431 L518 R663	A429-Q433 VanDerWaalsContact O-CB 3.27Å; A429-Q433 WeakPolarHBondContact O-CB 3.48Å; A429-Q433 WeakPolarHBondContact O-CG 3.49Å; A429-Q433 PolarHBondContact O-N 2.97Å; V431-Q433 PolarHBondContact O-N 2.95Å; Q433-L518 HydrophobicContact CG-CB 4.27Å; Q433-L518 HydrophobicContact CG-CD2 3.96Å; Q433-R663 PolarHBondContact O-NE 2.97Å; Q433-R663 PolarHBondContact O-NH2 3.1Å
434	E	98.4	Very high	98.5	Very high	112 Å²	112	34.8 Å²	34.8	52%	0.523	16%	0.157	S	C	.	.	H	α-helix	trans	-90.1	-20.7	-177.4	-60.1	-57.1	148.3	0	0	114.6	R430 V431 L432 M659	R430-E434 WeakPolarHBondContact O-CG 3.42Å; V431-E434 PolarHBondContact O-N 2.93Å; L432-E434 PolarHBondContact O-N 3.2Å; E434-M659 WeakPolarHBondContact O-CE 3.39Å
435	R	98.8	Very high	98.5	Very high	98 Å²	98	33.9 Å²	33.9	37%	0.37	15%	0.154	S	C	.	.	H	α-helix	trans	-125	-22.8	-168.1	-62.1	-170.2	-175.9	167.9	-1.6	115.4	D359 R360 Y361 V431 L432 V437	D359-R435 WeakPolarHBondContact O-CB 3.49Å; D359-R435 VanDerWaalsContact O-CD 3.31Å; D359-R435 WeakPolarHBondContact O-CD 3.07Å; D359-R435 WeakPolarHBondContact O-CG 3.47Å; R360-R435 CarbonylContact C-O 3.38Å; R360-R435 WeakPolarHBondContact CA-O 3.34Å; Y361-R435 HydrophobicContact CD2-CB 3.73Å; Y361-R435 HydrophobicContact CE2-CB 3.66Å; Y361-R435 HydrophobicContact CE2-CG 4.36Å; Y361-R435 HydrophobicContact CG-CB 4.25Å; Y361-R435 PolarHBondContact N-O 3.37Å; Y361-R435 WeakPolarHBondContact OH-CD 3.38Å; Y361-R435 PolarHBondContact OH-NH1 3.21Å; V431-R435 HydrophobicContact CG1-CG 4.3Å; V431-R435 VanDerWaalsContact O-CB 3.23Å; V431-R435 WeakPolarHBondContact O-CB 3.35Å; V431-R435 WeakPolarHBondContact O-CG 3.38Å; V431-R435 PolarHBondContact O-N 3.41Å; L432-R435 PolarHBondContact O-N 3.04Å; R435-V437 PolarHBondContact O-N 3.12Å
436	A	98.8	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.5	-176.1	0	0	0	0	0	111.2	Y361 I363 L432 I520 R663	Y361-A436 CarbonylContact O-C 3.52Å; I363-A436 HydrophobicContact CD1-CB 4.25Å; L432-A436 HydrophobicContact CB-CB 4.41Å; L432-A436 HydrophobicContact CD2-CB 4.31Å; L432-A436 WeakPolarHBondContact O-CB 3.46Å; L432-A436 PolarHBondContact O-N 2.59Å; A436-I520 HydrophobicContact CB-CD1 3.69Å; A436-I520 HydrophobicContact CB-CG1 3.98Å; A436-I520 HydrophobicContact CB-CG2 4.01Å; A436-R663 PolarHBondContact O-NH2 2.76Å
437	V	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-52.5	174.9	172.8	0	0	0	0	110	R360 Y361 I362 R435 L583 F585 M659	R360-V437 HydrophobicContact CB-CG2 3.94Å; Y361-V437 WeakPolarHBondContact O-CB 3.29Å; Y361-V437 PolarHBondContact O-N 2.85Å; I362-V437 HydrophobicContact CD1-CB 4.08Å; I362-V437 HydrophobicContact CD1-CG2 4.14Å; I362-V437 HydrophobicContact CG1-CB 4.32Å; R435-V437 PolarHBondContact O-N 3.12Å; V437-L583 HydrophobicContact CG1-CD1 4.01Å; V437-L583 HydrophobicContact CG1-CD2 3.41Å; V437-L583 VanDerWaalsContact CG1-CD2 3.41Å; V437-L583 HydrophobicContact CG1-CG 4.36Å; V437-L583 HydrophobicContact CG2-CD2 4.32Å; V437-F585 HydrophobicContact CG1-CE2 4.16Å; V437-F585 HydrophobicContact CG1-CZ 3.98Å; V437-M659 HydrophobicContact CG2-SD 3.87Å
438	A	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.5	-176.7	0	0	0	0	0	112.6	I363 A521 L577 F585	I363-A438 PolarHBondContact N-O 3.5Å; A438-A521 CarbonylContact C-O 3.15Å; A438-A521 WeakPolarHBondContact CA-O 3.33Å; A438-A521 WeakPolarHBondContact CB-O 3.21Å; A438-L577 HydrophobicContact CB-CD1 3.83Å; A438-L577 HydrophobicContact CB-CD2 4.43Å; A438-F585 HydrophobicContact CB-CZ 4.32Å
439	Y	98.9	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.4	170.8	178.7	-84.3	0	0	0	110.6	I363 G365 W411 N441 D510 F511 Y514 A521 S522 G523	I363-Y439 HydrophobicContact CB-CD2 3.79Å; I363-Y439 HydrophobicContact CG2-CD2 3.57Å; I363-Y439 HydrophobicContact CG2-CE2 3.82Å; I363-Y439 CarbonylContact O-C 3.56Å; I363-Y439 WeakPolarHBondContact O-CA 3.32Å; G365-Y439 VanDerWaalsContact C-OH 3.27Å; G365-Y439 PolarHBondContact O-OH 2.79Å; W411-Y439 HydrophobicContact CZ2-CE2 4.2Å; W411-Y439 AromaticContact NE1-CE2 3.96Å; W411-Y439 AromaticContact NE1-CZ 3.9Å; W411-Y439 PolarHBondContact NE1-OH 3.07Å; Y439-N441 HydrophobicContact CD1-CB 4.5Å; Y439-N441 HydrophobicContact CE1-CB 3.77Å; Y439-N441 WeakPolarHBondContact CE1-OD1 3.22Å; Y439-N441 PolarHBondContact OH-OD1 2.85Å; Y439-N441 VanDerWaalsContact OH-OD1 3.1Å; Y439-D510 VanDerWaalsContact OH-CB 3.27Å; Y439-D510 WeakPolarHBondContact OH-CB 3.48Å; Y439-F511 HydrophobicContact CD1-CB 3.7Å; Y439-F511 HydrophobicContact CE1-CB 3.61Å; Y439-Y514 HydrophobicContact CD1-CD2 4.39Å; Y439-Y514 HydrophobicContact CD1-CG 4.46Å; Y439-Y514 AromaticContact CD2-CD1 3.67Å; Y439-Y514 HydrophobicContact CD2-CD1 3.67Å; Y439-Y514 AromaticContact CD2-CD2 3.66Å; Y439-Y514 HydrophobicContact CD2-CD2 3.66Å; Y439-Y514 AromaticContact CD2-CE1 3.84Å; Y439-Y514 HydrophobicContact CD2-CE1 3.84Å; Y439-Y514 AromaticContact CD2-CE2 3.83Å; Y439-Y514 HydrophobicContact CD2-CE2 3.83Å; Y439-Y514 AromaticContact CD2-CG 3.59Å; Y439-Y514 HydrophobicContact CD2-CG 3.59Å; Y439-Y514 AromaticContact CD2-CZ 3.93Å; Y439-Y514 HydrophobicContact CE1-CD2 4.43Å; Y439-Y514 HydrophobicContact CE2-CD1 4.37Å; Y439-Y514 AromaticContact CE2-CD2 3.71Å; Y439-Y514 HydrophobicContact CE2-CD2 3.71Å; Y439-Y514 HydrophobicContact CE2-CE1 4.22Å; Y439-Y514 AromaticContact CE2-CE2 3.53Å; Y439-Y514 HydrophobicContact CE2-CE2 3.53Å; Y439-Y514 HydrophobicContact CE2-CG 4.14Å; Y439-Y514 AromaticContact CE2-CZ 3.82Å; Y439-Y514 HydrophobicContact CG-CD1 4.17Å; Y439-Y514 HydrophobicContact CG-CD2 4.03Å; Y439-Y514 AromaticContact CG-CG 3.8Å; Y439-Y514 HydrophobicContact CG-CG 3.8Å; Y439-A521 PolarHBondContact N-O 3.25Å; Y439-S522 CarbonylContact O-C 3.52Å; Y439-S522 WeakPolarHBondContact O-CA 3.34Å; Y439-G523 PolarHBondContact O-N 2.92Å
440	I	98.9	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.4	175.8	-53.5	-57.3	0	0	0	108.5	I363 L364 G365 L460 G523 V574 L577	I363-I440 PolarHBondContact O-N 3.15Å; L364-I440 WeakPolarHBondContact CA-O 3.32Å; L364-I440 HydrophobicContact CD1-CB 3.93Å; L364-I440 HydrophobicContact CD1-CG2 3.83Å; G365-I440 PolarHBondContact N-O 3.39Å; I440-L460 HydrophobicContact CD1-CD1 4.44Å; I440-G523 WeakPolarHBondContact CA-O 3.43Å; I440-V574 HydrophobicContact CB-CG2 4.35Å; I440-V574 HydrophobicContact CG1-CG2 4.2Å; I440-L577 HydrophobicContact CD1-CD1 4.09Å; I440-L577 HydrophobicContact CG1-CD1 4.29Å
441	N	98.8	Very high	98.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.2	-177.3	-158.8	70.7	0	0	0	111.7	G365 Y439 D443 S509 F511 G523 R524	G365-N441 CarbonylContact O-C 3.59Å; G365-N441 VanDerWaalsContact O-CA 3.27Å; G365-N441 WeakPolarHBondContact O-CA 3.31Å; G365-N441 PolarHBondContact O-OD1 3.47Å; Y439-N441 HydrophobicContact CD1-CB 4.5Å; Y439-N441 HydrophobicContact CE1-CB 3.77Å; Y439-N441 WeakPolarHBondContact CE1-OD1 3.22Å; Y439-N441 PolarHBondContact OH-OD1 2.85Å; Y439-N441 VanDerWaalsContact OH-OD1 3.1Å; N441-D443 WeakPolarHBondContact ND2-CB 3.07Å; N441-S509 WeakPolarHBondContact ND2-CB 3.32Å; N441-S509 PolarHBondContact ND2-OG 3.19Å; N441-F511 HydrophobicContact CB-CB 4.44Å; N441-F511 HydrophobicContact CB-CD1 4.25Å; N441-G523 PolarHBondContact N-O 3.37Å; N441-R524 HydrophobicContact CB-CB 3.82Å
442	T	97.4	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.			trans	-127.2	34	-179.1	-168.4	0	0	0	0	114.5	L364 G365 G381 L385 R570	L364-T442 HydrophobicContact CD1-CG2 4.49Å; L364-T442 HydrophobicContact CG-CG2 4.48Å; G365-T442 VanDerWaalsContact C-CG2 3.45Å; G365-T442 WeakPolarHBondContact O-CG2 3.35Å; G365-T442 PolarHBondContact O-N 2.87Å; G381-T442 CarbonylContact C-O 3.57Å; G381-T442 WeakPolarHBondContact CA-O 3.28Å; G381-T442 PolarHBondContact O-OG1 2.97Å; G381-T442 VanDerWaalsContact O-OG1 3.13Å; L385-T442 HydrophobicContact CB-CG2 3.85Å; L385-T442 HydrophobicContact CD1-CG2 4.09Å; L385-T442 HydrophobicContact CD2-CG2 3.87Å; L385-T442 HydrophobicContact CG-CG2 4.14Å; T442-R570 VanDerWaalsContact CA-NH1 3.32Å; T442-R570 PolarHBondContact O-NH1 3.34Å; T442-R570 PolarHBondContact OG1-NH1 2.91Å
443	D	97.4	Very high	98.2	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	11%	0.112	C	C	.	.	S	Bend	trans	-54.5	179.4	157.2	177.7	9.7	0	0	0	111.1	H367 G381 N441 S445 S509 R524 R570	H367-D443 IonicContact NE2-OD1 3.49Å; G381-D443 WeakPolarHBondContact CA-O 3.09Å; N441-D443 WeakPolarHBondContact ND2-CB 3.07Å; D443-S445 PolarHBondContact O-N 3.24Å; D443-S509 WeakPolarHBondContact CB-OG 3.3Å; D443-S509 PolarHBondContact OD2-OG 2.94Å; D443-R524 IonicContact OD2-CZ 3.66Å; D443-R524 IonicContact OD2-NH1 3.44Å; D443-R524 IonicContact OD2-NH2 3.11Å; D443-R524 PolarHBondContact OD2-NH2 2.92Å; D443-R570 PolarHBondContact O-NH1 3.35Å; D443-R570 PolarHBondContact O-NH2 2.78Å
444	S	98.6	Very high	98.3	Very high	1 Å²	1	22 Å²	22	1%	0.007	10%	0.099	C	C	.	.			trans	-12.3	114.6	170.7	-63.8	0	0	0	0	114	D377 R526 R570	D377-S444 WeakPolarHBondContact CA-OG 3.48Å; D377-S444 WeakPolarHBondContact CB-OG 3.45Å; S444-R526 WeakPolarHBondContact O-CB 3.29Å; S444-R570 PolarHBondContact O-NH2 3.42Å
445	S	98.6	Very high	98.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-89.8	-19.4	-179.6	64.9	0	0	0	0	112.5	T380 D443 Y527	T380-S445 VanDerWaalsContact CB-OG 3.27Å; T380-S445 WeakPolarHBondContact CB-OG 3.24Å; T380-S445 PolarHBondContact O-OG 2.9Å; T380-S445 PolarHBondContact OG1-N 2.95Å; T380-S445 PolarHBondContact OG1-OG 3.4Å; D443-S445 PolarHBondContact O-N 3.24Å; S445-Y527 PolarHBondContact O-N 3.27Å
446	I	98.4	Very high	98.2	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-142.5	97	-173.5	-175.2	63.6	0	0	0	112.2	I376 T380 G448 Y527 V552 Y556 K562 Q563	I376-I446 VanDerWaalsContact CG2-O 3.24Å; I376-I446 WeakPolarHBondContact CG2-O 3.47Å; T380-I446 HydrophobicContact CG2-CG2 3.68Å; I446-G448 WeakPolarHBondContact CD1-O 3.11Å; I446-Y527 HydrophobicContact CD1-CG 4.23Å; I446-V552 HydrophobicContact CG2-CG1 4.31Å; I446-Y556 HydrophobicContact CG1-CD1 4.15Å; I446-K562 HydrophobicContact CD1-CB 4.46Å; I446-K562 HydrophobicContact CD1-CD 4.36Å; I446-Q563 HydrophobicContact CB-CG 4.16Å; I446-Q563 HydrophobicContact CG2-CG 3.97Å
447	E	97.8	Very high	98.2	Very high	18 Å²	18	12.6 Å²	12.6	8%	0.084	6%	0.06	C	C	.	.	S	Bend	trans	-99.9	2.5	174.3	-67.8	174.7	-163.8	0	0	112.4	R524 R526 Y527 Y539	E447-R524 IonicContact OE1-NH2 3.37Å; E447-R526 WeakPolarHBondContact OE1-CD 3.26Å; E447-R526 IonicContact OE1-CZ 3.29Å; E447-R526 VanDerWaalsContact OE1-CZ 3.3Å; E447-R526 IonicContact OE1-NE 2.71Å; E447-R526 PolarHBondContact OE1-NE 2.97Å; E447-R526 IonicContact OE1-NH2 2.98Å; E447-R526 PolarHBondContact OE1-NH2 3.34Å; E447-R526 IonicContact OE2-CZ 3.55Å; E447-R526 VanDerWaalsContact OE2-CZ 3.31Å; E447-R526 IonicContact OE2-NE 3.34Å; E447-R526 PolarHBondContact OE2-NE 3.37Å; E447-R526 IonicContact OE2-NH2 3.01Å; E447-R526 PolarHBondContact OE2-NH2 2.98Å; E447-Y527 PolarHBondContact N-O 3.02Å; E447-Y539 HydrophobicContact CB-CD1 4.05Å; E447-Y539 HydrophobicContact CG-CD1 4.01Å; E447-Y539 HydrophobicContact CG-CE1 4.02Å
448	G	97.2	Very high	98.2	Very high	8 Å²	8	12.6 Å²	12.6	8%	0.082	6%	0.06	C	C	.	.			trans	163.3	157.7	-179	0	0	0	0	0	110.1	I446 Y527 T528	I446-G448 WeakPolarHBondContact CD1-O 3.11Å; G448-Y527 CarbonylContact O-C 3.52Å; G448-Y527 VanDerWaalsContact O-C 3.29Å; G448-Y527 WeakPolarHBondContact O-CB 3.44Å; G448-T528 CarbonylContact C-O 3.52Å; G448-T528 CarbonylContact O-C 3.44Å; G448-T528 PolarHBondContact O-N 3.08Å; G448-T528 VanDerWaalsContact O-N 3.16Å
449	N	96.3	Very high	98.2	Very high	85 Å²	85	12.6 Å²	12.6	46%	0.455	6%	0.06	S	C	.	.	S	Bend	trans	-103.1	17.4	-164.4	65.3	7	0	0	0	114.5	Y556 K562	N449-Y556 WeakPolarHBondContact CB-O 3.38Å; N449-K562 HydrophobicContact CB-CD 4.03Å; N449-K562 WeakPolarHBondContact O-CE 3.11Å
450	Y	97.8	Very high	98.2	Very high	70 Å²	70	12.7 Å²	12.7	28%	0.275	6%	0.061	S	C	.	.	S	Bend	trans	-84.3	-55.7	-172.2	-179.4	-113.8	0	0	0	113.4	K490 T528 N530	Y450-K490 HydrophobicContact CD1-CB 4.39Å; Y450-K490 HydrophobicContact CD1-CD 4.5Å; Y450-K490 HydrophobicContact CD2-CD 4.43Å; Y450-K490 HydrophobicContact CE1-CB 3.64Å; Y450-K490 HydrophobicContact CE1-CD 4.21Å; Y450-K490 HydrophobicContact CE1-CG 4.08Å; Y450-K490 HydrophobicContact CE2-CD 4.12Å; Y450-K490 HydrophobicContact CE2-CG 4.31Å; Y450-K490 VanDerWaalsContact O-CD 3.29Å; Y450-K490 WeakPolarHBondContact O-CD 3.38Å; Y450-K490 PolarHBondContact O-NZ 3.46Å; Y450-T528 VanDerWaalsContact CB-O 3.32Å; Y450-T528 WeakPolarHBondContact CB-O 3.25Å; Y450-T528 PolarHBondContact N-O 3.18Å; Y450-N530 VanDerWaalsContact CD1-CA 3.5Å; Y450-N530 HydrophobicContact CD1-CB 3.58Å; Y450-N530 HydrophobicContact CD2-CB 3.91Å; Y450-N530 HydrophobicContact CE1-CB 3.82Å; Y450-N530 HydrophobicContact CE2-CB 4.16Å; Y450-N530 HydrophobicContact CG-CB 3.62Å
451	T	98.4	Very high	98.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	173.5	-176.5	-162	0	0	0	0	112.6	K490 D491 Y527 T528	T451-K490 HydrophobicContact CG2-CB 4.05Å; T451-D491 HydrophobicContact CG2-CB 4.19Å; T451-Y527 WeakPolarHBondContact O-CA 3.42Å; T451-Y527 WeakPolarHBondContact O-CD1 3.47Å; T451-T528 HydrophobicContact CG2-CG2 4.36Å; T451-T528 PolarHBondContact N-O 3.39Å; T451-T528 WeakPolarHBondContact O-CG2 3.46Å; T451-T528 PolarHBondContact O-N 3.06Å
452	L	98.6	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.4	174.7	-175.3	68.6	0	0	0	111.6	V454 T468 L483 W487 V525 I566 L569	L452-V454 HydrophobicContact CD2-CG2 3.79Å; L452-V454 HydrophobicContact CG-CG2 3.93Å; L452-T468 HydrophobicContact CD2-CG2 3.85Å; L452-L483 HydrophobicContact CB-CD1 4.31Å; L452-L483 HydrophobicContact CD2-CD2 4.02Å; L452-L483 HydrophobicContact CD2-CG 4.18Å; L452-W487 HydrophobicContact CB-CB 4.3Å; L452-W487 HydrophobicContact CB-CD2 4.31Å; L452-W487 HydrophobicContact CB-CG 3.99Å; L452-W487 HydrophobicContact CD2-CD2 3.89Å; L452-W487 HydrophobicContact CD2-CE3 3.81Å; L452-W487 HydrophobicContact CD2-CG 4.34Å; L452-W487 HydrophobicContact CD2-CZ3 4.2Å; L452-W487 HydrophobicContact CG-CD2 4.42Å; L452-W487 PolarHBondContact O-NE1 3.42Å; L452-W487 VanDerWaalsContact O-NE1 3.13Å; L452-V525 HydrophobicContact CD1-CB 4.46Å; L452-I566 HydrophobicContact CD1-CD1 3.48Å; L452-I566 VanDerWaalsContact CD1-CD1 3.48Å; L452-L569 HydrophobicContact CD1-CD2 3.96Å; L452-L569 HydrophobicContact CD2-CD2 3.81Å
453	R	98.3	Very high	98.1	Very high	58 Å²	58	19 Å²	19	22%	0.219	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.7	166	176.3	-177.5	179.2	151.4	3.6	109.5	D455 V525 R526 T528	R453-D455 IonicContact CZ-OD1 2.78Å; R453-D455 IonicContact CZ-OD2 3.3Å; R453-D455 IonicContact NE-OD1 3.5Å; R453-D455 PolarHBondContact NE-OD1 3.15Å; R453-D455 VanDerWaalsContact NE-OD1 3.07Å; R453-D455 IonicContact NE-OD2 3.27Å; R453-D455 PolarHBondContact NE-OD2 3.05Å; R453-D455 IonicContact NH2-OD1 2.86Å; R453-D455 IonicContact NH2-OD2 2.96Å; R453-V525 WeakPolarHBondContact O-CA 3.5Å; R453-R526 HydrophobicContact CB-CG 4.18Å; R453-R526 VanDerWaalsContact CD-CZ 3.47Å; R453-R526 VanDerWaalsContact CZ-NH2 3.34Å; R453-R526 PolarHBondContact N-O 3.48Å; R453-R526 PolarHBondContact O-N 3.47Å; R453-T528 HydrophobicContact CB-CG2 3.67Å
454	V	98.4	Very high	98.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.6	173.9	-177.2	0	0	0	0	109.4	L452 C456 V464 W487 I502 N503 R524 V525	L452-V454 HydrophobicContact CD2-CG2 3.79Å; L452-V454 HydrophobicContact CG-CG2 3.93Å; V454-C456 HydrophobicContact CG1-CB 4.44Å; V454-V464 HydrophobicContact CG1-CG1 4.1Å; V454-V464 HydrophobicContact CG1-CG2 4.28Å; V454-V464 HydrophobicContact CG2-CG1 4Å; V454-W487 HydrophobicContact CB-CH2 3.92Å; V454-W487 HydrophobicContact CB-CZ2 3.85Å; V454-W487 HydrophobicContact CG2-CH2 3.49Å; V454-W487 VanDerWaalsContact CG2-CH2 3.49Å; V454-W487 HydrophobicContact CG2-CZ2 3.56Å; V454-W487 HydrophobicContact CG2-CZ3 4.21Å; V454-I502 HydrophobicContact CB-CG1 4.23Å; V454-I502 HydrophobicContact CG1-CG1 4.24Å; V454-I502 HydrophobicContact CG1-CG2 4.14Å; V454-N503 PolarHBondContact O-N 3.34Å; V454-N503 PolarHBondContact O-ND2 3.09Å; V454-R524 WeakPolarHBondContact CA-O 3.34Å; V454-V525 HydrophobicContact CB-CG1 4.46Å; V454-V525 HydrophobicContact CG1-CG1 4.12Å; V454-V525 HydrophobicContact CG2-CG1 3.95Å
455	D	98.1	Very high	98.2	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.043	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.9	167.8	-37.4	-58.8	0	0	0	107.2	R453 N503 L505 G523 R524 R526	R453-D455 IonicContact CZ-OD1 2.78Å; R453-D455 IonicContact CZ-OD2 3.3Å; R453-D455 IonicContact NE-OD1 3.5Å; R453-D455 PolarHBondContact NE-OD1 3.15Å; R453-D455 VanDerWaalsContact NE-OD1 3.07Å; R453-D455 IonicContact NE-OD2 3.27Å; R453-D455 PolarHBondContact NE-OD2 3.05Å; R453-D455 IonicContact NH2-OD1 2.86Å; R453-D455 IonicContact NH2-OD2 2.96Å; D455-N503 VanDerWaalsContact CA-O 3.29Å; D455-N503 WeakPolarHBondContact CA-O 3.17Å; D455-N503 HydrophobicContact CB-CB 4.44Å; D455-N503 WeakPolarHBondContact OD1-CB 3.33Å; D455-N503 PolarHBondContact OD1-ND2 3.47Å; D455-L505 HydrophobicContact CB-CD2 3.79Å; D455-L505 WeakPolarHBondContact O-CD2 3.29Å; D455-G523 CarbonylContact O-C 3.15Å; D455-G523 WeakPolarHBondContact O-CA 3.3Å; D455-R524 HydrophobicContact CB-CG 3.88Å; D455-R524 PolarHBondContact N-O 3.05Å; D455-R524 PolarHBondContact O-N 2.93Å; D455-R524 WeakPolarHBondContact OD2-CD 3.46Å; D455-R524 WeakPolarHBondContact OD2-CG 3.43Å; D455-R526 IonicContact OD2-CZ 3.31Å; D455-R526 IonicContact OD2-NH1 2.66Å; D455-R526 PolarHBondContact OD2-NH1 3.14Å
456	C	98.4	Very high	98.2	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	168.6	-179.9	65.8	0	0	0	0	113.1	V454 L460 Y461 I502 N503 S522	V454-C456 HydrophobicContact CG1-CB 4.44Å; C456-L460 HydrophobicContact CB-CB 4.18Å; C456-L460 HydrophobicContact CB-CD1 4.1Å; C456-Y461 WeakPolarHBondContact O-CE1 3.41Å; C456-I502 VanDerWaalsContact SG-CG2 3.58Å; C456-N503 PolarHBondContact N-O 3.22Å; C456-S522 WeakPolarHBondContact CA-O 3.33Å; C456-S522 WeakPolarHBondContact CB-O 3.45Å
457	T	98.5	Very high	98.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	11%	0.111	C	C	.	.			trans	-64.2	148.1	169.8	173.8	0	0	0	0	111.9	L459 L460 Y461 A521 S522 E662	T457-L459 HydrophobicContact CG2-CB 4.01Å; T457-L459 HydrophobicContact CG2-CG 4.49Å; T457-L459 PolarHBondContact O-N 2.83Å; T457-L459 VanDerWaalsContact O-N 3.07Å; T457-L459 PolarHBondContact OG1-N 3.42Å; T457-L460 HydrophobicContact CG2-CB 4.39Å; T457-L460 HydrophobicContact CG2-CD1 3.91Å; T457-L460 HydrophobicContact CG2-CG 3.99Å; T457-L460 PolarHBondContact O-N 3.49Å; T457-Y461 WeakPolarHBondContact O-CD1 3.47Å; T457-Y461 WeakPolarHBondContact O-CE1 3.38Å; T457-A521 HydrophobicContact CG2-CB 3.93Å; T457-S522 PolarHBondContact N-O 3.37Å; T457-S522 VanDerWaalsContact N-O 3.1Å; T457-E662 WeakPolarHBondContact CB-OE2 3.25Å; T457-E662 WeakPolarHBondContact CG2-OE2 3.18Å; T457-E662 PolarHBondContact OG1-OE2 3.01Å
458	P	98.5	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-48.8	-31	172.3	-28.7	35.7	0	0	0	115.2	L460 Y461 D589 Y590 A593 F682	P458-L460 PolarHBondContact O-N 2.96Å; P458-L460 VanDerWaalsContact O-N 3.08Å; P458-Y461 VanDerWaalsContact CA-CE1 3.46Å; P458-Y461 HydrophobicContact CB-CD2 4.28Å; P458-Y461 HydrophobicContact CB-CE1 4.48Å; P458-Y461 HydrophobicContact CB-CE2 3.95Å; P458-Y461 HydrophobicContact CG-CE2 4.15Å; P458-Y461 PolarHBondContact O-N 3.46Å; P458-Y461 VanDerWaalsContact O-N 3.16Å; P458-D589 HydrophobicContact CB-CB 4.43Å; P458-D589 WeakPolarHBondContact O-CB 3.35Å; P458-Y590 HydrophobicContact CB-CD2 3.86Å; P458-Y590 HydrophobicContact CB-CE2 4.5Å; P458-Y590 HydrophobicContact CB-CG 3.92Å; P458-Y590 HydrophobicContact CG-CD1 4.38Å; P458-Y590 HydrophobicContact CG-CD2 4.11Å; P458-Y590 HydrophobicContact CG-CE2 4.32Å; P458-Y590 HydrophobicContact CG-CG 4.14Å; P458-A593 HydrophobicContact CB-CB 4.12Å; P458-A593 HydrophobicContact CG-CB 3.63Å; P458-F682 HydrophobicContact CG-CZ 4.2Å
459	L	98.6	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.9	-27.8	177.8	-60.1	175.8	0	0	0	113.2	T457 A521 F585 D586 Y590 I661 E662	T457-L459 HydrophobicContact CG2-CB 4.01Å; T457-L459 HydrophobicContact CG2-CG 4.49Å; T457-L459 PolarHBondContact O-N 2.83Å; T457-L459 VanDerWaalsContact O-N 3.07Å; T457-L459 PolarHBondContact OG1-N 3.42Å; L459-A521 HydrophobicContact CD1-CB 4.12Å; L459-F585 HydrophobicContact CB-CB 4.19Å; L459-F585 HydrophobicContact CB-CD1 3.99Å; L459-F585 HydrophobicContact CB-CG 4.09Å; L459-F585 WeakPolarHBondContact O-CA 3.1Å; L459-D586 PolarHBondContact O-N 2.81Å; L459-Y590 HydrophobicContact CD2-CD2 3.81Å; L459-Y590 HydrophobicContact CG-CD2 3.82Å; L459-Y590 HydrophobicContact CG-CE2 4.21Å; L459-I661 HydrophobicContact CD1-CG2 3.47Å; L459-I661 VanDerWaalsContact CD1-CG2 3.47Å; L459-I661 HydrophobicContact CD2-CG2 3.65Å; L459-I661 HydrophobicContact CG-CG2 4.19Å; L459-E662 HydrophobicContact CD1-CB 4.05Å; L459-E662 WeakPolarHBondContact CD1-OE2 3.24Å
460	L	98.8	Very high	98.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-96.2	-3.9	-175.2	-73.7	171.4	0	0	0	113.8	I440 C456 T457 P458 L463 V464 S522 L577 F585	I440-L460 HydrophobicContact CD1-CD1 4.44Å; C456-L460 HydrophobicContact CB-CB 4.18Å; C456-L460 HydrophobicContact CB-CD1 4.1Å; T457-L460 HydrophobicContact CG2-CB 4.39Å; T457-L460 HydrophobicContact CG2-CD1 3.91Å; T457-L460 HydrophobicContact CG2-CG 3.99Å; T457-L460 PolarHBondContact O-N 3.49Å; P458-L460 PolarHBondContact O-N 2.96Å; P458-L460 VanDerWaalsContact O-N 3.08Å; L460-L463 HydrophobicContact CD2-CD2 3.86Å; L460-L463 PolarHBondContact O-N 3.3Å; L460-V464 WeakPolarHBondContact O-CG2 3.47Å; L460-V464 PolarHBondContact O-N 2.9Å; L460-S522 WeakPolarHBondContact CD1-O 3.25Å; L460-L577 HydrophobicContact CD2-CD1 4.34Å; L460-L577 HydrophobicContact CD2-CD2 4.21Å; L460-F585 HydrophobicContact CD2-CD1 4.11Å; L460-F585 HydrophobicContact CD2-CE1 3.65Å; L460-F585 HydrophobicContact CG-CE1 4.21Å
461	Y	98.3	Very high	98.3	Very high	32 Å²	32	24.6 Å²	24.6	13%	0.125	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-56.5	-171	-72	1	0	0	0	111.9	C456 T457 P458 L463 V464 Y465 I502 D589	C456-Y461 WeakPolarHBondContact O-CE1 3.41Å; T457-Y461 WeakPolarHBondContact O-CD1 3.47Å; T457-Y461 WeakPolarHBondContact O-CE1 3.38Å; P458-Y461 VanDerWaalsContact CA-CE1 3.46Å; P458-Y461 HydrophobicContact CB-CD2 4.28Å; P458-Y461 HydrophobicContact CB-CE1 4.48Å; P458-Y461 HydrophobicContact CB-CE2 3.95Å; P458-Y461 HydrophobicContact CG-CE2 4.15Å; P458-Y461 PolarHBondContact O-N 3.46Å; P458-Y461 VanDerWaalsContact O-N 3.16Å; Y461-L463 VanDerWaalsContact C-N 3.3Å; Y461-L463 PolarHBondContact O-N 3.03Å; Y461-V464 PolarHBondContact O-N 3.35Å; Y461-Y465 WeakPolarHBondContact O-CD2 3.35Å; Y461-Y465 VanDerWaalsContact O-CG 3.29Å; Y461-Y465 PolarHBondContact O-N 3.37Å; Y461-I502 HydrophobicContact CD1-CB 4.29Å; Y461-I502 HydrophobicContact CD1-CD1 3.55Å; Y461-I502 HydrophobicContact CD1-CG2 3.89Å; Y461-I502 HydrophobicContact CE1-CB 4.01Å; Y461-I502 HydrophobicContact CE1-CD1 4.16Å; Y461-I502 HydrophobicContact CE1-CG2 3.4Å; Y461-I502 HydrophobicContact CG-CD1 3.9Å; Y461-D589 HydrophobicContact CD2-CB 4.3Å
462	K	97.8	Very high	98.2	Very high	90 Å²	90	28.6 Å²	28.6	39%	0.391	14%	0.139	S	C	.	.	H	α-helix	trans	-58.7	-40.1	178.8	-168.3	172.4	-175.7	177.8	0	113.1	Y465 N466 D586	K462-Y465 PolarHBondContact O-N 3.43Å; K462-N466 WeakPolarHBondContact O-CB 3.38Å; K462-N466 PolarHBondContact O-N 3.41Å; K462-N466 PolarHBondContact O-ND2 3.25Å; K462-D586 HydrophobicContact CB-CB 4.38Å; K462-D586 HydrophobicContact CD-CB 4.22Å; K462-D586 VanDerWaalsContact CD-OD2 3.28Å; K462-D586 WeakPolarHBondContact CD-OD2 3.4Å; K462-D586 IonicContact NZ-OD2 2.89Å; K462-D586 PolarHBondContact NZ-OD2 2.88Å
463	L	98.6	Very high	98.2	Very high	11 Å²	11	28.6 Å²	28.6	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-51.4	176.4	178.1	60.2	0	0	0	111	L460 Y461 Y465 N466 L467 L573 E576 L577 P584	L460-L463 HydrophobicContact CD2-CD2 3.86Å; L460-L463 PolarHBondContact O-N 3.3Å; Y461-L463 VanDerWaalsContact C-N 3.3Å; Y461-L463 PolarHBondContact O-N 3.03Å; L463-Y465 PolarHBondContact O-N 2.89Å; L463-N466 PolarHBondContact O-N 3.31Å; L463-L467 HydrophobicContact CD1-CD1 3.65Å; L463-L467 HydrophobicContact CD1-CD2 4.39Å; L463-L467 HydrophobicContact CD1-CG 3.9Å; L463-L467 HydrophobicContact CG-CD1 3.85Å; L463-L467 HydrophobicContact CG-CG 4.43Å; L463-L467 VanDerWaalsContact O-CG 3.29Å; L463-L467 WeakPolarHBondContact O-CG 3.32Å; L463-L467 PolarHBondContact O-N 3Å; L463-L573 HydrophobicContact CD2-CD2 3.74Å; L463-L573 HydrophobicContact CG-CD2 3.89Å; L463-E576 HydrophobicContact CD1-CB 3.81Å; L463-E576 HydrophobicContact CD1-CG 3.96Å; L463-L577 HydrophobicContact CD2-CD1 4.5Å; L463-L577 HydrophobicContact CD2-CD2 4.1Å; L463-L577 HydrophobicContact CD2-CG 4.05Å; L463-P584 HydrophobicContact CD1-CB 4Å; L463-P584 HydrophobicContact CD1-CG 4.07Å; L463-P584 HydrophobicContact CD2-CB 4.41Å; L463-P584 HydrophobicContact CD2-CG 3.84Å; L463-P584 HydrophobicContact CG-CG 4.47Å
464	V	98.8	Very high	98.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-47.9	178	170.2	0	0	0	0	110.9	V454 L460 Y461 N466 L467 T468 W487 I502 L573	V454-V464 HydrophobicContact CG1-CG1 4.1Å; V454-V464 HydrophobicContact CG1-CG2 4.28Å; V454-V464 HydrophobicContact CG2-CG1 4Å; L460-V464 WeakPolarHBondContact O-CG2 3.47Å; L460-V464 PolarHBondContact O-N 2.9Å; Y461-V464 PolarHBondContact O-N 3.35Å; V464-N466 VanDerWaalsContact C-N 3.31Å; V464-N466 PolarHBondContact O-N 2.93Å; V464-L467 PolarHBondContact O-N 2.92Å; V464-T468 HydrophobicContact CG1-CG2 4.24Å; V464-T468 WeakPolarHBondContact O-CB 3.05Å; V464-T468 VanDerWaalsContact O-CG2 3.27Å; V464-T468 WeakPolarHBondContact O-CG2 3.44Å; V464-T468 PolarHBondContact O-N 3.18Å; V464-T468 PolarHBondContact O-OG1 3.49Å; V464-W487 HydrophobicContact CG1-CH2 3.94Å; V464-W487 HydrophobicContact CG1-CZ3 3.9Å; V464-I502 HydrophobicContact CG1-CD1 4.49Å; V464-L573 HydrophobicContact CG2-CD2 3.92Å
465	Y	98.6	Very high	98.2	Very high	30 Å²	30	26.5 Å²	26.5	12%	0.118	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-39.2	179.6	-65.6	-38.5	0	0	0	112.6	Y461 K462 L463 T468 K469 Y484 W487 Y499 P500 I502	Y461-Y465 WeakPolarHBondContact O-CD2 3.35Å; Y461-Y465 VanDerWaalsContact O-CG 3.29Å; Y461-Y465 PolarHBondContact O-N 3.37Å; K462-Y465 PolarHBondContact O-N 3.43Å; L463-Y465 PolarHBondContact O-N 2.89Å; Y465-T468 WeakPolarHBondContact CA-OG1 3.5Å; Y465-T468 PolarHBondContact O-OG1 3.07Å; Y465-T468 VanDerWaalsContact O-OG1 3.07Å; Y465-K469 WeakPolarHBondContact O-CD 3.33Å; Y465-K469 VanDerWaalsContact O-CG 3.27Å; Y465-K469 WeakPolarHBondContact O-CG 3.49Å; Y465-K469 PolarHBondContact O-N 2.93Å; Y465-Y484 HydrophobicContact CD1-CD2 4.11Å; Y465-Y484 AromaticContact CD1-CE2 3.62Å; Y465-Y484 HydrophobicContact CD1-CE2 3.62Å; Y465-Y484 HydrophobicContact CE1-CE2 4.41Å; Y465-Y484 AromaticContact CG-CE2 3.96Å; Y465-Y484 HydrophobicContact CG-CE2 3.96Å; Y465-W487 HydrophobicContact CD1-CH2 4.2Å; Y465-W487 AromaticContact CD1-CZ3 3.83Å; Y465-W487 HydrophobicContact CD1-CZ3 3.83Å; Y465-W487 AromaticContact CE1-CH2 3.83Å; Y465-W487 HydrophobicContact CE1-CH2 3.83Å; Y465-W487 AromaticContact CE1-CZ3 3.89Å; Y465-W487 HydrophobicContact CE1-CZ3 3.89Å; Y465-Y499 WeakPolarHBondContact OH-CD2 3.43Å; Y465-P500 HydrophobicContact CD1-CG 4.32Å; Y465-P500 HydrophobicContact CE1-CB 4.22Å; Y465-P500 HydrophobicContact CE1-CG 4.08Å; Y465-P500 PolarHBondContact OH-O 2.89Å; Y465-I502 HydrophobicContact CD1-CD1 4.38Å; Y465-I502 HydrophobicContact CE1-CD1 3.65Å; Y465-I502 HydrophobicContact CE1-CG1 4.02Å; Y465-I502 HydrophobicContact CE2-CD1 4.11Å
466	N	98.4	Very high	97.9	Very high	75 Å²	75	34.6 Å²	34.6	40%	0.401	17%	0.171	S	C	.	.	H	α-helix	trans	-69	-45.9	177.8	-70.5	-13	0	0	0	111.5	K462 L463 V464 T468 K469	K462-N466 WeakPolarHBondContact O-CB 3.38Å; K462-N466 PolarHBondContact O-N 3.41Å; K462-N466 PolarHBondContact O-ND2 3.25Å; L463-N466 PolarHBondContact O-N 3.31Å; V464-N466 VanDerWaalsContact C-N 3.31Å; V464-N466 PolarHBondContact O-N 2.93Å; N466-T468 VanDerWaalsContact C-N 3.34Å; N466-T468 PolarHBondContact O-N 3.15Å; N466-K469 WeakPolarHBondContact O-CB 3.35Å; N466-K469 PolarHBondContact O-N 2.88Å
467	L	98.4	Very high	97.8	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-35.7	-177.7	-63.9	173.8	0	0	0	112.7	L463 V464 K469 E470 I471 L569 K572 L573 E576	L463-L467 HydrophobicContact CD1-CD1 3.65Å; L463-L467 HydrophobicContact CD1-CD2 4.39Å; L463-L467 HydrophobicContact CD1-CG 3.9Å; L463-L467 HydrophobicContact CG-CD1 3.85Å; L463-L467 HydrophobicContact CG-CG 4.43Å; L463-L467 VanDerWaalsContact O-CG 3.29Å; L463-L467 WeakPolarHBondContact O-CG 3.32Å; L463-L467 PolarHBondContact O-N 3Å; V464-L467 PolarHBondContact O-N 2.92Å; L467-K469 VanDerWaalsContact C-N 3.3Å; L467-K469 PolarHBondContact O-N 3.34Å; L467-E470 PolarHBondContact O-N 3.32Å; L467-E470 VanDerWaalsContact O-N 3.17Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 2.86Å; L467-L569 HydrophobicContact CB-CD1 4.09Å; L467-K572 HydrophobicContact CB-CB 4.49Å; L467-K572 HydrophobicContact CB-CD 4.35Å; L467-K572 HydrophobicContact CD1-CB 3.88Å; L467-K572 HydrophobicContact CD2-CB 4.06Å; L467-K572 HydrophobicContact CD2-CD 3.96Å; L467-K572 HydrophobicContact CG-CB 4.35Å; L467-L573 HydrophobicContact CD1-CD2 3.81Å; L467-L573 HydrophobicContact CD1-CG 3.99Å; L467-E576 HydrophobicContact CD1-CG 4.08Å; L467-E576 HydrophobicContact CD2-CG 3.57Å; L467-E576 HydrophobicContact CG-CG 4.35Å
468	T	98.6	Very high	97.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-26.2	176.8	49.8	0	0	0	0	112.9	L452 V464 Y465 N466 E470 I471 L483 Y484 W487 L569	L452-T468 HydrophobicContact CD2-CG2 3.85Å; V464-T468 HydrophobicContact CG1-CG2 4.24Å; V464-T468 WeakPolarHBondContact O-CB 3.05Å; V464-T468 VanDerWaalsContact O-CG2 3.27Å; V464-T468 WeakPolarHBondContact O-CG2 3.44Å; V464-T468 PolarHBondContact O-N 3.18Å; V464-T468 PolarHBondContact O-OG1 3.49Å; Y465-T468 WeakPolarHBondContact CA-OG1 3.5Å; Y465-T468 PolarHBondContact O-OG1 3.07Å; Y465-T468 VanDerWaalsContact O-OG1 3.07Å; N466-T468 VanDerWaalsContact C-N 3.34Å; N466-T468 PolarHBondContact O-N 3.15Å; T468-E470 PolarHBondContact O-N 3.13Å; T468-I471 PolarHBondContact O-N 2.77Å; T468-L483 HydrophobicContact CG2-CD2 4.04Å; T468-L483 HydrophobicContact CG2-CG 4.39Å; T468-L483 PolarHBondContact O-N 3.12Å; T468-Y484 PolarHBondContact O-N 3.49Å; T468-W487 HydrophobicContact CG2-CE3 4.31Å; T468-W487 HydrophobicContact CG2-CZ3 4.26Å; T468-L569 HydrophobicContact CG2-CD1 3.85Å; T468-L569 HydrophobicContact CG2-CD2 3.94Å
469	K	98.5	Very high	97.4	Very high	103 Å²	103	44.6 Å²	44.6	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-69.2	-24.8	171.6	-71	166.5	-173.3	172.3	0	112.6	Y465 N466 L467 S482 Y484	Y465-K469 WeakPolarHBondContact O-CD 3.33Å; Y465-K469 VanDerWaalsContact O-CG 3.27Å; Y465-K469 WeakPolarHBondContact O-CG 3.49Å; Y465-K469 PolarHBondContact O-N 2.93Å; N466-K469 WeakPolarHBondContact O-CB 3.35Å; N466-K469 PolarHBondContact O-N 2.88Å; L467-K469 VanDerWaalsContact C-N 3.3Å; L467-K469 PolarHBondContact O-N 3.34Å; K469-S482 VanDerWaalsContact O-CB 3.29Å; K469-S482 WeakPolarHBondContact O-CB 3.35Å; K469-Y484 HydrophobicContact CD-CG 4.44Å; K469-Y484 HydrophobicContact CG-CD1 3.99Å; K469-Y484 HydrophobicContact CG-CD2 4Å; K469-Y484 HydrophobicContact CG-CG 3.58Å
470	E	96.6	Very high	97.2	Very high	90 Å²	90	50.1 Å²	50.1	42%	0.421	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.3	-179.7	-60.1	-178.7	-178.7	0	0	114.1	R48 L467 T468 K572	R48-E470 IonicContact CZ-OE1 3.57Å; R48-E470 IonicContact CZ-OE2 3.45Å; R48-E470 VanDerWaalsContact CZ-OE2 3.29Å; R48-E470 IonicContact NE-OE2 3.56Å; R48-E470 IonicContact NH1-OE1 3.8Å; R48-E470 PolarHBondContact NH1-OE1 3.04Å; R48-E470 IonicContact NH1-OE2 2.92Å; R48-E470 VanDerWaalsContact NH2-CD 3.28Å; R48-E470 IonicContact NH2-OE1 3.7Å; R48-E470 PolarHBondContact NH2-OE1 3.34Å; R48-E470 IonicContact NH2-OE2 3.42Å; R48-E470 PolarHBondContact NH2-OE2 3.34Å; L467-E470 PolarHBondContact O-N 3.32Å; L467-E470 VanDerWaalsContact O-N 3.17Å; T468-E470 PolarHBondContact O-N 3.13Å; E470-K572 PolarHBondContact O-NZ 2.64Å; E470-K572 IonicContact OE2-NZ 2.88Å; E470-K572 PolarHBondContact OE2-NZ 2.72Å
471	I	97.2	Very high	97.2	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-107.3	132.6	178.8	-65.8	165.2	0	0	0	107.9	L467 T468 S482 L483 T565 Q568 L569 K572	L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 2.86Å; T468-I471 PolarHBondContact O-N 2.77Å; I471-S482 CarbonylContact O-C 3.59Å; I471-S482 VanDerWaalsContact O-CA 3.29Å; I471-S482 WeakPolarHBondContact O-CA 3.44Å; I471-L483 HydrophobicContact CB-CB 4.25Å; I471-L483 HydrophobicContact CB-CD2 4.42Å; I471-L483 HydrophobicContact CG2-CB 4.29Å; I471-L483 HydrophobicContact CG2-CD2 4.21Å; I471-L483 PolarHBondContact O-N 3.44Å; I471-T565 HydrophobicContact CG2-CG2 3.96Å; I471-Q568 HydrophobicContact CD1-CB 4.47Å; I471-L569 HydrophobicContact CD1-CB 3.87Å; I471-L569 HydrophobicContact CD1-CD1 3.96Å; I471-L569 HydrophobicContact CD1-CG 4.5Å; I471-K572 HydrophobicContact CD1-CD 4.12Å; I471-K572 HydrophobicContact CG1-CD 4.13Å
472	S	97.4	Very high	97.2	Very high	85 Å²	85	53.5 Å²	53.5	59%	0.594	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-67.4	139.5	173.1	-56.8	0	0	0	0	111.1
473	S	98.3	Very high	97.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	27%	0.268	C	S	.	.			trans	-68.2	133.9	176.1	-175.9	0	0	0	0	110.9	D475 K481 S486	S473-D475 VanDerWaalsContact C-N 3.26Å; S473-D475 WeakPolarHBondContact OG-CB 3.12Å; S473-D475 PolarHBondContact OG-N 2.97Å; S473-K481 PolarHBondContact N-O 3.16Å; S473-S486 WeakPolarHBondContact OG-CB 3.44Å; S473-S486 PolarHBondContact OG-OG 2.81Å
474	P	97.6	Very high	97.2	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.071	27%	0.271	C	S	.	.			trans	-87.5	3.2	169.9	39.4	-38.4	0	0	0	112.1	Y527 R561 K562 T565	P474-Y527 WeakPolarHBondContact CD-OH 3.28Å; P474-Y527 HydrophobicContact CG-CE2 4.01Å; P474-Y527 WeakPolarHBondContact CG-OH 3.27Å; P474-R561 HydrophobicContact CB-CB 3.99Å; P474-K562 HydrophobicContact CB-CG 4.17Å; P474-K562 HydrophobicContact CG-CB 4.46Å; P474-K562 HydrophobicContact CG-CG 3.98Å; P474-T565 WeakPolarHBondContact CB-OG1 3.27Å; P474-T565 WeakPolarHBondContact CD-OG1 3.17Å; P474-T565 HydrophobicContact CG-CG2 4.06Å; P474-T565 VanDerWaalsContact CG-OG1 3.31Å; P474-T565 WeakPolarHBondContact CG-OG1 3.23Å
475	D	97.3	Very high	97.2	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	29%	0.287	C	S	.	.	S	Bend	trans	-78.5	137.5	-176.9	-64.3	-6.9	0	0	0	111	S473 G477 Y478 K490 Y527	S473-D475 VanDerWaalsContact C-N 3.26Å; S473-D475 WeakPolarHBondContact OG-CB 3.12Å; S473-D475 PolarHBondContact OG-N 2.97Å; D475-G477 PolarHBondContact O-N 2.75Å; D475-Y478 HydrophobicContact CB-CD2 3.81Å; D475-Y478 HydrophobicContact CB-CG 4.33Å; D475-Y478 WeakPolarHBondContact O-CB 3.33Å; D475-Y478 PolarHBondContact O-N 2.87Å; D475-Y478 VanDerWaalsContact O-N 3.09Å; D475-K490 IonicContact OD2-NZ 2.72Å; D475-K490 PolarHBondContact OD2-NZ 3.36Å; D475-Y527 WeakPolarHBondContact OD1-CE1 3.19Å; D475-Y527 VanDerWaalsContact OD1-CZ 3.3Å; D475-Y527 PolarHBondContact OD1-OH 3.3Å
476	E	93.8	Very high	97.2	Very high	179 Å²	179	52 Å²	52	84%	0.836	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	131.2	175.4	-173.2	176.6	-177.4	0	0	110.8	Y478	E476-Y478 VanDerWaalsContact C-N 3.34Å; E476-Y478 WeakPolarHBondContact O-CD2 3.23Å
477	G	95.6	Very high	97.2	Very high	57 Å²	57	48.5 Å²	48.5	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	3	-175.7	0	0	0	0	0	114.9	D475 E479	D475-G477 PolarHBondContact O-N 2.75Å; G477-E479 VanDerWaalsContact C-OE2 3.28Å; G477-E479 WeakPolarHBondContact CA-OE2 3.49Å; G477-E479 PolarHBondContact N-OE1 3.49Å; G477-E479 PolarHBondContact N-OE2 2.83Å
478	Y	96.6	Very high	97.2	Very high	33 Å²	33	50.4 Å²	50.4	13%	0.129	27%	0.272	C	S	.	.			trans	-121.7	26.9	179.7	-67.2	-92.9	0	0	0	112.4	D475 E476 S480 K481 E489	D475-Y478 HydrophobicContact CB-CD2 3.81Å; D475-Y478 HydrophobicContact CB-CG 4.33Å; D475-Y478 WeakPolarHBondContact O-CB 3.33Å; D475-Y478 PolarHBondContact O-N 2.87Å; D475-Y478 VanDerWaalsContact O-N 3.09Å; E476-Y478 VanDerWaalsContact C-N 3.34Å; E476-Y478 WeakPolarHBondContact O-CD2 3.23Å; Y478-S480 PolarHBondContact O-N 3.37Å; Y478-K481 HydrophobicContact CD1-CB 4.08Å; Y478-K481 HydrophobicContact CD1-CG 4.09Å; Y478-K481 WeakPolarHBondContact O-CB 3.34Å; Y478-K481 PolarHBondContact O-N 3.46Å; Y478-E489 WeakPolarHBondContact CE1-OE2 3.18Å; Y478-E489 PolarHBondContact OH-OE1 3.25Å; Y478-E489 PolarHBondContact OH-OE2 3.34Å
479	E	92.6	Very high	97.1	Very high	122 Å²	122	56.7 Å²	56.7	57%	0.57	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.1	-170.9	-64	75	-164.5	0	0	113.5	G477	G477-E479 VanDerWaalsContact C-OE2 3.28Å; G477-E479 WeakPolarHBondContact CA-OE2 3.49Å; G477-E479 PolarHBondContact N-OE1 3.49Å; G477-E479 PolarHBondContact N-OE2 2.83Å
480	S	94.2	Very high	97	Very high	117 Å²	117	53 Å²	53	82%	0.818	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	7.8	177.1	61.6	0	0	0	0	113.7	Y478	Y478-S480 PolarHBondContact O-N 3.37Å
481	K	97.7	Very high	97.1	Very high	89 Å²	89	49.5 Å²	49.5	39%	0.387	27%	0.269	S	S	.	.	S	Bend	trans	-111	152.9	-172.3	-64.8	-77.2	174	174.3	0	111.6	S473 Y478 E485	S473-K481 PolarHBondContact N-O 3.16Å; Y478-K481 HydrophobicContact CD1-CB 4.08Å; Y478-K481 HydrophobicContact CD1-CG 4.09Å; Y478-K481 WeakPolarHBondContact O-CB 3.34Å; Y478-K481 PolarHBondContact O-N 3.46Å; K481-E485 HydrophobicContact CB-CB 4.27Å; K481-E485 HydrophobicContact CD-CB 4.18Å; K481-E485 VanDerWaalsContact CD-CD 3.42Å; K481-E485 HydrophobicContact CD-CG 4.37Å; K481-E485 WeakPolarHBondContact CD-OE1 3.4Å; K481-E485 IonicContact NZ-OE1 3.46Å; K481-E485 PolarHBondContact NZ-OE1 3.22Å
482	S	98.4	Very high	97	Very high	16 Å²	16	50.6 Å²	50.6	11%	0.112	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-72.3	157.1	169.1	64	0	0	0	0	111.4	K469 I471 Y484 E485 S486	K469-S482 VanDerWaalsContact O-CB 3.29Å; K469-S482 WeakPolarHBondContact O-CB 3.35Å; I471-S482 CarbonylContact O-C 3.59Å; I471-S482 VanDerWaalsContact O-CA 3.29Å; I471-S482 WeakPolarHBondContact O-CA 3.44Å; S482-Y484 PolarHBondContact O-N 3.22Å; S482-E485 WeakPolarHBondContact CB-OE2 3.36Å; S482-E485 PolarHBondContact N-OE2 3.13Å; S482-E485 PolarHBondContact O-N 2.8Å; S482-E485 VanDerWaalsContact O-N 3.13Å; S482-E485 WeakPolarHBondContact OG-CG 3.4Å; S482-E485 PolarHBondContact OG-N 2.81Å; S482-E485 PolarHBondContact OG-OE2 2.82Å; S482-S486 PolarHBondContact O-N 3.35Å
483	L	98.6	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-32.7	171.8	178.9	62.8	0	0	0	111.2	L452 T468 I471 S486 W487 Y527 T565 L569	L452-L483 HydrophobicContact CB-CD1 4.31Å; L452-L483 HydrophobicContact CD2-CD2 4.02Å; L452-L483 HydrophobicContact CD2-CG 4.18Å; T468-L483 HydrophobicContact CG2-CD2 4.04Å; T468-L483 HydrophobicContact CG2-CG 4.39Å; T468-L483 PolarHBondContact O-N 3.12Å; I471-L483 HydrophobicContact CB-CB 4.25Å; I471-L483 HydrophobicContact CB-CD2 4.42Å; I471-L483 HydrophobicContact CG2-CB 4.29Å; I471-L483 HydrophobicContact CG2-CD2 4.21Å; I471-L483 PolarHBondContact O-N 3.44Å; L483-S486 PolarHBondContact O-OG 2.85Å; L483-W487 WeakPolarHBondContact O-CB 3.28Å; L483-W487 PolarHBondContact O-N 3.48Å; L483-Y527 HydrophobicContact CD1-CE2 4.49Å; L483-T565 HydrophobicContact CD1-CG2 4.04Å; L483-T565 HydrophobicContact CD2-CG2 3.51Å; L483-T565 HydrophobicContact CG-CG2 4.33Å; L483-L569 HydrophobicContact CD2-CD2 4.37Å
484	Y	98.7	Very high	96.1	Very high	31 Å²	31	52.5 Å²	52.5	12%	0.122	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-44	173.3	-179	-86.4	0	0	0	112.1	Y465 T468 K469 S482 W487 L488 P500	Y465-Y484 HydrophobicContact CD1-CD2 4.11Å; Y465-Y484 AromaticContact CD1-CE2 3.62Å; Y465-Y484 HydrophobicContact CD1-CE2 3.62Å; Y465-Y484 HydrophobicContact CE1-CE2 4.41Å; Y465-Y484 AromaticContact CG-CE2 3.96Å; Y465-Y484 HydrophobicContact CG-CE2 3.96Å; T468-Y484 PolarHBondContact O-N 3.49Å; K469-Y484 HydrophobicContact CD-CG 4.44Å; K469-Y484 HydrophobicContact CG-CD1 3.99Å; K469-Y484 HydrophobicContact CG-CD2 4Å; K469-Y484 HydrophobicContact CG-CG 3.58Å; S482-Y484 PolarHBondContact O-N 3.22Å; Y484-W487 PolarHBondContact O-N 2.88Å; Y484-L488 HydrophobicContact CE1-CB 4.44Å; Y484-L488 HydrophobicContact CE1-CD2 3.96Å; Y484-L488 WeakPolarHBondContact O-CB 3.05Å; Y484-L488 PolarHBondContact O-N 2.92Å; Y484-P500 HydrophobicContact CD2-CG 3.89Å; Y484-P500 HydrophobicContact CE2-CG 3.62Å; Y484-P500 HydrophobicContact CG-CG 4.48Å; Y484-P500 VanDerWaalsContact CZ-CD 3.47Å; Y484-P500 WeakPolarHBondContact OH-CD 3.41Å
485	E	98.6	Very high	95.3	Very high	72 Å²	72	57.5 Å²	57.5	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-47.9	-179.9	-75.4	166	104.6	0	0	111.7	K481 S482 W487 L488 E489	K481-E485 HydrophobicContact CB-CB 4.27Å; K481-E485 HydrophobicContact CD-CB 4.18Å; K481-E485 VanDerWaalsContact CD-CD 3.42Å; K481-E485 HydrophobicContact CD-CG 4.37Å; K481-E485 WeakPolarHBondContact CD-OE1 3.4Å; K481-E485 IonicContact NZ-OE1 3.46Å; K481-E485 PolarHBondContact NZ-OE1 3.22Å; S482-E485 WeakPolarHBondContact CB-OE2 3.36Å; S482-E485 PolarHBondContact N-OE2 3.13Å; S482-E485 PolarHBondContact O-N 2.8Å; S482-E485 VanDerWaalsContact O-N 3.13Å; S482-E485 WeakPolarHBondContact OG-CG 3.4Å; S482-E485 PolarHBondContact OG-N 2.81Å; S482-E485 PolarHBondContact OG-OE2 2.82Å; E485-W487 VanDerWaalsContact C-N 3.35Å; E485-W487 PolarHBondContact O-N 2.85Å; E485-L488 PolarHBondContact O-N 3.29Å; E485-E489 PolarHBondContact O-N 2.98Å; E485-E489 VanDerWaalsContact O-N 3.12Å
486	S	98.3	Very high	94.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-39	177.6	61.1	0	0	0	0	112.1	S473 S482 L483 K490	S473-S486 WeakPolarHBondContact OG-CB 3.44Å; S473-S486 PolarHBondContact OG-OG 2.81Å; S482-S486 PolarHBondContact O-N 3.35Å; L483-S486 PolarHBondContact O-OG 2.85Å; S486-K490 VanDerWaalsContact O-CB 3.3Å; S486-K490 WeakPolarHBondContact O-CB 3.15Å; S486-K490 VanDerWaalsContact O-CG 3.25Å; S486-K490 WeakPolarHBondContact O-CG 3.34Å; S486-K490 PolarHBondContact O-N 2.75Å; S486-K490 VanDerWaalsContact O-N 3.13Å
487	W	98.4	Very high	94.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-44.5	176.5	179.3	29.5	0	0	0	112.7	L452 V454 V464 Y465 T468 L483 Y484 E485 E489 K490 D491 P500 R501 I502	L452-W487 HydrophobicContact CB-CB 4.3Å; L452-W487 HydrophobicContact CB-CD2 4.31Å; L452-W487 HydrophobicContact CB-CG 3.99Å; L452-W487 HydrophobicContact CD2-CD2 3.89Å; L452-W487 HydrophobicContact CD2-CE3 3.81Å; L452-W487 HydrophobicContact CD2-CG 4.34Å; L452-W487 HydrophobicContact CD2-CZ3 4.2Å; L452-W487 HydrophobicContact CG-CD2 4.42Å; L452-W487 PolarHBondContact O-NE1 3.42Å; L452-W487 VanDerWaalsContact O-NE1 3.13Å; V454-W487 HydrophobicContact CB-CH2 3.92Å; V454-W487 HydrophobicContact CB-CZ2 3.85Å; V454-W487 HydrophobicContact CG2-CH2 3.49Å; V454-W487 VanDerWaalsContact CG2-CH2 3.49Å; V454-W487 HydrophobicContact CG2-CZ2 3.56Å; V454-W487 HydrophobicContact CG2-CZ3 4.21Å; V464-W487 HydrophobicContact CG1-CH2 3.94Å; V464-W487 HydrophobicContact CG1-CZ3 3.9Å; Y465-W487 HydrophobicContact CD1-CH2 4.2Å; Y465-W487 AromaticContact CD1-CZ3 3.83Å; Y465-W487 HydrophobicContact CD1-CZ3 3.83Å; Y465-W487 AromaticContact CE1-CH2 3.83Å; Y465-W487 HydrophobicContact CE1-CH2 3.83Å; Y465-W487 AromaticContact CE1-CZ3 3.89Å; Y465-W487 HydrophobicContact CE1-CZ3 3.89Å; T468-W487 HydrophobicContact CG2-CE3 4.31Å; T468-W487 HydrophobicContact CG2-CZ3 4.26Å; L483-W487 WeakPolarHBondContact O-CB 3.28Å; L483-W487 PolarHBondContact O-N 3.48Å; Y484-W487 PolarHBondContact O-N 2.88Å; E485-W487 VanDerWaalsContact C-N 3.35Å; E485-W487 PolarHBondContact O-N 2.85Å; W487-E489 VanDerWaalsContact C-N 3.34Å; W487-E489 PolarHBondContact O-N 3.47Å; W487-K490 PolarHBondContact O-N 3.34Å; W487-D491 PolarHBondContact O-N 2.83Å; W487-P500 HydrophobicContact CB-CB 4.48Å; W487-P500 HydrophobicContact CD2-CB 3.15Å; W487-P500 HydrophobicContact CD2-CG 3.7Å; W487-P500 HydrophobicContact CE3-CB 3.41Å; W487-P500 VanDerWaalsContact CE3-CB 3.41Å; W487-P500 HydrophobicContact CE3-CG 3.49Å; W487-P500 VanDerWaalsContact CE3-CG 3.49Å; W487-P500 HydrophobicContact CG-CB 3.66Å; W487-P500 HydrophobicContact CG-CG 4.18Å; W487-P500 HydrophobicContact CH2-CB 3.85Å; W487-P500 HydrophobicContact CH2-CG 4.46Å; W487-P500 HydrophobicContact CZ2-CB 3.64Å; W487-P500 HydrophobicContact CZ3-CB 3.74Å; W487-P500 HydrophobicContact CZ3-CG 3.9Å; W487-R501 WeakPolarHBondContact CZ2-O 3.39Å; W487-I502 HydrophobicContact CH2-CD1 4.23Å; W487-I502 HydrophobicContact CH2-CG1 3.7Å; W487-I502 HydrophobicContact CZ2-CG1 4.03Å
488	L	98.1	Very high	94.2	Very high	44 Å²	44	58.7 Å²	58.7	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-59.2	-46	177.7	175.5	58.1	0	0	0	111.5	Y484 E485 P492 N497 P500	Y484-L488 HydrophobicContact CE1-CB 4.44Å; Y484-L488 HydrophobicContact CE1-CD2 3.96Å; Y484-L488 WeakPolarHBondContact O-CB 3.05Å; Y484-L488 PolarHBondContact O-N 2.92Å; E485-L488 PolarHBondContact O-N 3.29Å; L488-P492 HydrophobicContact CD1-CB 4.48Å; L488-P492 VanDerWaalsContact O-CD 3.32Å; L488-P492 WeakPolarHBondContact O-CD 3.47Å; L488-N497 WeakPolarHBondContact CD1-O 3.41Å; L488-P500 HydrophobicContact CB-CG 3.94Å; L488-P500 HydrophobicContact CD1-CG 4.35Å
489	E	97.1	Very high	94.2	Very high	132 Å²	132	60.9 Å²	60.9	62%	0.617	32%	0.323	S	S	*	.	H	α-helix	trans	-66.2	-40.8	-178.1	-166.6	179.9	139.4	0	0	111.6	Y478 E485 W487	Y478-E489 WeakPolarHBondContact CE1-OE2 3.18Å; Y478-E489 PolarHBondContact OH-OE1 3.25Å; Y478-E489 PolarHBondContact OH-OE2 3.34Å; E485-E489 PolarHBondContact O-N 2.98Å; E485-E489 VanDerWaalsContact O-N 3.12Å; W487-E489 VanDerWaalsContact C-N 3.34Å; W487-E489 PolarHBondContact O-N 3.47Å
490	K	97	Very high	94.4	Very high	26 Å²	26	55.1 Å²	55.1	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-82.5	-38.2	-174.3	-70.5	-178.7	177.9	179	0	114	Y450 T451 D475 S486 W487	Y450-K490 HydrophobicContact CD1-CB 4.39Å; Y450-K490 HydrophobicContact CD1-CD 4.5Å; Y450-K490 HydrophobicContact CD2-CD 4.43Å; Y450-K490 HydrophobicContact CE1-CB 3.64Å; Y450-K490 HydrophobicContact CE1-CD 4.21Å; Y450-K490 HydrophobicContact CE1-CG 4.08Å; Y450-K490 HydrophobicContact CE2-CD 4.12Å; Y450-K490 HydrophobicContact CE2-CG 4.31Å; Y450-K490 VanDerWaalsContact O-CD 3.29Å; Y450-K490 WeakPolarHBondContact O-CD 3.38Å; Y450-K490 PolarHBondContact O-NZ 3.46Å; T451-K490 HydrophobicContact CG2-CB 4.05Å; D475-K490 IonicContact OD2-NZ 2.72Å; D475-K490 PolarHBondContact OD2-NZ 3.36Å; S486-K490 VanDerWaalsContact O-CB 3.3Å; S486-K490 WeakPolarHBondContact O-CB 3.15Å; S486-K490 VanDerWaalsContact O-CG 3.25Å; S486-K490 WeakPolarHBondContact O-CG 3.34Å; S486-K490 PolarHBondContact O-N 2.75Å; S486-K490 VanDerWaalsContact O-N 3.13Å; W487-K490 PolarHBondContact O-N 3.34Å
491	D	96.9	Very high	94.5	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.08	27%	0.265	C	S	.	.	S	Bend	trans	-137.5	70.6	179.1	-167.4	18.4	0	0	0	112.8	T451 W487 R501	T451-D491 HydrophobicContact CG2-CB 4.19Å; W487-D491 PolarHBondContact O-N 2.83Å; D491-R501 WeakPolarHBondContact O-CB 3.36Å; D491-R501 PolarHBondContact O-N 3.45Å; D491-R501 IonicContact OD1-CZ 3.73Å; D491-R501 IonicContact OD1-NE 3.65Å; D491-R501 PolarHBondContact OD1-NE 2.89Å; D491-R501 IonicContact OD1-NH2 2.78Å; D491-R501 WeakPolarHBondContact OD2-CD 3.39Å; D491-R501 IonicContact OD2-NE 2.71Å
492	P	96.5	Very high	94.5	Very high	29 Å²	29	48.6 Å²	48.6	19%	0.188	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-65.7	148.9	174.4	27.3	-33.8	0	0	0	111.1	L488 N497 R501	L488-P492 HydrophobicContact CD1-CB 4.48Å; L488-P492 VanDerWaalsContact O-CD 3.32Å; L488-P492 WeakPolarHBondContact O-CD 3.47Å; P492-N497 HydrophobicContact CB-CB 4.1Å; P492-R501 PolarHBondContact O-NH2 3.43Å
493	A	92.3	Very high	94.3	Very high	14 Å²	14	49.2 Å²	49.2	12%	0.116	25%	0.254	C	S	.	.			trans	-63.8	140.4	176.3	0	0	0	0	0	111.4	E495 N496 Y499 R501	A493-E495 VanDerWaalsContact C-N 3.29Å; A493-E495 PolarHBondContact O-N 3.41Å; A493-N496 WeakPolarHBondContact CB-O 3.42Å; A493-N496 CarbonylContact O-C 3.45Å; A493-N496 VanDerWaalsContact O-C 3.28Å; A493-N496 PolarHBondContact O-N 3.38Å; A493-N496 VanDerWaalsContact O-O 3.13Å; A493-Y499 HydrophobicContact CB-CD2 3.54Å; A493-Y499 HydrophobicContact CB-CE2 3.35Å; A493-Y499 WeakPolarHBondContact CB-O 3.36Å; A493-Y499 PolarHBondContact N-O 2.81Å; A493-R501 HydrophobicContact CB-CB 4.46Å
494	T	84.9	Confident	94.1	Very high	112 Å²	112	51.9 Å²	51.9	69%	0.687	27%	0.266	S	S	*	.	S	Bend	trans	-66.3	-30.2	-176.4	30.8	0	0	0	0	113.5	R501	T494-R501 VanDerWaalsContact CG2-NH1 3.35Å; T494-R501 VanDerWaalsContact N-NH2 3.2Å; T494-R501 PolarHBondContact OG1-NH1 3.33Å
495	E	80.6	Confident	93.8	Very high	117 Å²	117	50.6 Å²	50.6	55%	0.547	26%	0.261	S	S	.	.	S	Bend	trans	-84.7	-28.4	-175.7	-65	174.4	-153.4	0	0	111.6	A493 R600	A493-E495 VanDerWaalsContact C-N 3.29Å; A493-E495 PolarHBondContact O-N 3.41Å; E495-R600 IonicContact OE1-CZ 2.76Å; E495-R600 IonicContact OE1-NH1 3.59Å; E495-R600 PolarHBondContact OE1-NH1 3.31Å; E495-R600 IonicContact OE1-NH2 3.43Å; E495-R600 PolarHBondContact OE1-NH2 3.11Å; E495-R600 IonicContact OE2-NH2 3.67Å
496	N	82.6	Confident	93.2	Very high	64 Å²	64	47.3 Å²	47.3	34%	0.342	25%	0.246	S	C	.	.			trans	-157.2	121.2	176.6	179.1	-10.8	0	0	0	108.9	A493 S498 Y499	A493-N496 WeakPolarHBondContact CB-O 3.42Å; A493-N496 CarbonylContact O-C 3.45Å; A493-N496 VanDerWaalsContact O-C 3.28Å; A493-N496 PolarHBondContact O-N 3.38Å; A493-N496 VanDerWaalsContact O-O 3.13Å; N496-S498 PolarHBondContact O-N 2.97Å; N496-S498 WeakPolarHBondContact OD1-CB 3.38Å; N496-S498 PolarHBondContact OD1-N 2.97Å; N496-S498 PolarHBondContact OD1-OG 2.92Å; N496-Y499 HydrophobicContact CB-CD1 4.37Å; N496-Y499 HydrophobicContact CB-CE1 3.54Å
497	N	88.9	Confident	92.7	Very high	122 Å²	122	47.7 Å²	47.7	65%	0.652	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	5.4	-177.6	65.7	-11.9	0	0	0	114.4	L488 P492 Y499	L488-N497 WeakPolarHBondContact CD1-O 3.41Å; P492-N497 HydrophobicContact CB-CB 4.1Å; N497-Y499 VanDerWaalsContact C-N 3.32Å
498	S	92.3	Very high	92	Very high	78 Å²	78	48.7 Å²	48.7	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.5	179.3	-53.4	0	0	0	0	113.6	N496	N496-S498 PolarHBondContact O-N 2.97Å; N496-S498 WeakPolarHBondContact OD1-CB 3.38Å; N496-S498 PolarHBondContact OD1-N 2.97Å; N496-S498 PolarHBondContact OD1-OG 2.92Å
499	Y	94.5	Very high	91.9	Very high	79 Å²	79	46.6 Å²	46.6	31%	0.31	25%	0.248	S	C	.	.	S	Bend	trans	-139.5	153	177.7	50.1	-98.5	0	0	0	111.8	Y465 A493 N496 N497	Y465-Y499 WeakPolarHBondContact OH-CD2 3.43Å; A493-Y499 HydrophobicContact CB-CD2 3.54Å; A493-Y499 HydrophobicContact CB-CE2 3.35Å; A493-Y499 WeakPolarHBondContact CB-O 3.36Å; A493-Y499 PolarHBondContact N-O 2.81Å; N496-Y499 HydrophobicContact CB-CD1 4.37Å; N496-Y499 HydrophobicContact CB-CE1 3.54Å; N497-Y499 VanDerWaalsContact C-N 3.32Å
500	P	96.9	Very high	92	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-65.9	151.9	177.8	-15.6	25.4	0	0	0	112.7	Y465 Y484 W487 L488 I502	Y465-P500 HydrophobicContact CD1-CG 4.32Å; Y465-P500 HydrophobicContact CE1-CB 4.22Å; Y465-P500 HydrophobicContact CE1-CG 4.08Å; Y465-P500 PolarHBondContact OH-O 2.89Å; Y484-P500 HydrophobicContact CD2-CG 3.89Å; Y484-P500 HydrophobicContact CE2-CG 3.62Å; Y484-P500 HydrophobicContact CG-CG 4.48Å; Y484-P500 VanDerWaalsContact CZ-CD 3.47Å; Y484-P500 WeakPolarHBondContact OH-CD 3.41Å; W487-P500 HydrophobicContact CB-CB 4.48Å; W487-P500 HydrophobicContact CD2-CB 3.15Å; W487-P500 HydrophobicContact CD2-CG 3.7Å; W487-P500 HydrophobicContact CE3-CB 3.41Å; W487-P500 VanDerWaalsContact CE3-CB 3.41Å; W487-P500 HydrophobicContact CE3-CG 3.49Å; W487-P500 VanDerWaalsContact CE3-CG 3.49Å; W487-P500 HydrophobicContact CG-CB 3.66Å; W487-P500 HydrophobicContact CG-CG 4.18Å; W487-P500 HydrophobicContact CH2-CB 3.85Å; W487-P500 HydrophobicContact CH2-CG 4.46Å; W487-P500 HydrophobicContact CZ2-CB 3.64Å; W487-P500 HydrophobicContact CZ3-CB 3.74Å; W487-P500 HydrophobicContact CZ3-CG 3.9Å; L488-P500 HydrophobicContact CB-CG 3.94Å; L488-P500 HydrophobicContact CD1-CG 4.35Å; P500-I502 PolarHBondContact O-N 3.42Å
501	R	97	Very high	92.1	Very high	46 Å²	46	39.2 Å²	39.2	17%	0.174	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-70.1	118.7	179.4	-178.8	-174	-55.9	-73.6	-14.4	112.4	W487 D491 P492 A493 T494 N503	W487-R501 WeakPolarHBondContact CZ2-O 3.39Å; D491-R501 WeakPolarHBondContact O-CB 3.36Å; D491-R501 PolarHBondContact O-N 3.45Å; D491-R501 IonicContact OD1-CZ 3.73Å; D491-R501 IonicContact OD1-NE 3.65Å; D491-R501 PolarHBondContact OD1-NE 2.89Å; D491-R501 IonicContact OD1-NH2 2.78Å; D491-R501 WeakPolarHBondContact OD2-CD 3.39Å; D491-R501 IonicContact OD2-NE 2.71Å; P492-R501 PolarHBondContact O-NH2 3.43Å; A493-R501 HydrophobicContact CB-CB 4.46Å; T494-R501 VanDerWaalsContact CG2-NH1 3.35Å; T494-R501 VanDerWaalsContact N-NH2 3.2Å; T494-R501 PolarHBondContact OG1-NH1 3.33Å; R501-N503 WeakPolarHBondContact CD-OD1 3.31Å
502	I	97.1	Very high	92.1	Very high	23 Å²	23	38.7 Å²	38.7	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.2	161.5	-61.8	177.2	0	0	0	108.9	V454 C456 Y461 V464 Y465 W487 P500	V454-I502 HydrophobicContact CB-CG1 4.23Å; V454-I502 HydrophobicContact CG1-CG1 4.24Å; V454-I502 HydrophobicContact CG1-CG2 4.14Å; C456-I502 VanDerWaalsContact SG-CG2 3.58Å; Y461-I502 HydrophobicContact CD1-CB 4.29Å; Y461-I502 HydrophobicContact CD1-CD1 3.55Å; Y461-I502 HydrophobicContact CD1-CG2 3.89Å; Y461-I502 HydrophobicContact CE1-CB 4.01Å; Y461-I502 HydrophobicContact CE1-CD1 4.16Å; Y461-I502 HydrophobicContact CE1-CG2 3.4Å; Y461-I502 HydrophobicContact CG-CD1 3.9Å; V464-I502 HydrophobicContact CG1-CD1 4.49Å; Y465-I502 HydrophobicContact CD1-CD1 4.38Å; Y465-I502 HydrophobicContact CE1-CD1 3.65Å; Y465-I502 HydrophobicContact CE1-CG1 4.02Å; Y465-I502 HydrophobicContact CE2-CD1 4.11Å; W487-I502 HydrophobicContact CH2-CD1 4.23Å; W487-I502 HydrophobicContact CH2-CG1 3.7Å; W487-I502 HydrophobicContact CZ2-CG1 4.03Å; P500-I502 PolarHBondContact O-N 3.42Å
503	N	95.3	Very high	92.2	Very high	29 Å²	29	37.4 Å²	37.4	16%	0.155	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	162.2	176.9	-40.4	-82.7	0	0	0	111.4	V454 D455 C456 R501 R531	V454-N503 PolarHBondContact O-N 3.34Å; V454-N503 PolarHBondContact O-ND2 3.09Å; D455-N503 VanDerWaalsContact CA-O 3.29Å; D455-N503 WeakPolarHBondContact CA-O 3.17Å; D455-N503 HydrophobicContact CB-CB 4.44Å; D455-N503 WeakPolarHBondContact OD1-CB 3.33Å; D455-N503 PolarHBondContact OD1-ND2 3.47Å; C456-N503 PolarHBondContact N-O 3.22Å; R501-N503 WeakPolarHBondContact CD-OD1 3.31Å; N503-R531 PolarHBondContact ND2-NH2 3.01Å; N503-R531 VanDerWaalsContact ND2-NH2 3.18Å; N503-R531 PolarHBondContact OD1-NH1 2.9Å; N503-R531 VanDerWaalsContact OD1-NH1 3.15Å
504	K	94.6	Very high	92.5	Very high	57 Å²	57	36.7 Å²	36.7	25%	0.248	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-73.9	150.6	173.8	-62.1	-176.8	-69.6	-82	0	110.9	Y597 F682 G692	K504-Y597 HydrophobicContact CD-CE1 3.89Å; K504-F682 HydrophobicContact CB-CD1 4.31Å; K504-F682 HydrophobicContact CB-CE1 4.32Å; K504-F682 HydrophobicContact CD-CD1 3.86Å; K504-F682 HydrophobicContact CD-CE1 3.63Å; K504-F682 HydrophobicContact CG-CD1 4.22Å; K504-F682 HydrophobicContact CG-CE1 3.83Å; K504-G692 WeakPolarHBondContact CE-O 3.41Å
505	L	92.3	Very high	93.2	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-82.1	124.1	168.6	-69.2	173.8	0	0	0	110.3	D455 F511 F515 Q516 S522 R524	D455-L505 HydrophobicContact CB-CD2 3.79Å; D455-L505 WeakPolarHBondContact O-CD2 3.29Å; L505-F511 HydrophobicContact CB-CD2 4.32Å; L505-F511 HydrophobicContact CB-CE2 3.86Å; L505-F511 HydrophobicContact CD1-CD2 4.3Å; L505-F511 HydrophobicContact CD2-CD1 4.43Å; L505-F511 HydrophobicContact CD2-CD2 3.97Å; L505-F511 HydrophobicContact CD2-CE1 4.17Å; L505-F511 HydrophobicContact CD2-CE2 3.69Å; L505-F511 HydrophobicContact CD2-CG 4.34Å; L505-F511 HydrophobicContact CD2-CZ 3.8Å; L505-F511 HydrophobicContact CG-CD2 4.44Å; L505-F511 HydrophobicContact CG-CE2 4.25Å; L505-F515 HydrophobicContact CB-CD1 3.69Å; L505-F515 HydrophobicContact CB-CE1 3.63Å; L505-F515 HydrophobicContact CB-CZ 4.42Å; L505-F515 HydrophobicContact CD1-CD1 4.05Å; L505-F515 HydrophobicContact CD1-CD2 4.32Å; L505-F515 HydrophobicContact CD1-CE1 4.23Å; L505-F515 HydrophobicContact CD1-CE2 4.49Å; L505-F515 HydrophobicContact CD1-CG 4.09Å; L505-F515 HydrophobicContact CD1-CZ 4.43Å; L505-Q516 PolarHBondContact O-NE2 2.77Å; L505-S522 VanDerWaalsContact CD1-O 3.25Å; L505-S522 WeakPolarHBondContact CD1-O 3.3Å; L505-R524 HydrophobicContact CD2-CG 4.4Å
506	G	84.9	Confident	94	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	14%	0.139	C	C	.	.			trans	-104.3	-104.7	167.4	0	0	0	0	0	109.5	F511 Q516 G692	G506-F511 WeakPolarHBondContact O-CE2 3.49Å; G506-Q516 PolarHBondContact O-NE2 3.06Å; G506-G692 VanDerWaalsContact CA-CA 3.5Å
507	S	88.4	Confident	94.7	Very high	8 Å²	8	23.4 Å²	23.4	6%	0.056	13%	0.125	C	C	.	.	S	Bend	trans	-138	-167.7	170.1	169.5	0	0	0	0	108.7	E512 K689	S507-E512 WeakPolarHBondContact CB-OE1 3.46Å; S507-E512 PolarHBondContact OG-OE1 2.84Å; S507-K689 WeakPolarHBondContact CB-O 3.16Å; S507-K689 PolarHBondContact N-O 2.8Å; S507-K689 WeakPolarHBondContact OG-CE 3.23Å
508	G	84.6	Confident	95.2	Very high	21 Å²	21	17.8 Å²	17.8	22%	0.216	10%	0.095	C	C	.	.	S	Bend	trans	106.5	18	171.7	0	0	0	0	0	112.2
509	S	96.3	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-168.2	179.1	162.6	-164.3	0	0	0	0	108.6	E414 L418 N441 D443 F511 E512	E414-S509 WeakPolarHBondContact OE1-CA 3.49Å; L418-S509 WeakPolarHBondContact CD1-O 3.39Å; N441-S509 WeakPolarHBondContact ND2-CB 3.32Å; N441-S509 PolarHBondContact ND2-OG 3.19Å; D443-S509 WeakPolarHBondContact CB-OG 3.3Å; D443-S509 PolarHBondContact OD2-OG 2.94Å; S509-F511 PolarHBondContact O-N 3.19Å; S509-E512 PolarHBondContact O-N 3.38Å
510	D	98.3	Very high	95.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.1	-168.9	-63.6	-64.3	0	0	0	115.8	H367 W411 E414 S421 Y439 E512 Y514	H367-D510 IonicContact CD2-OD2 3.68Å; H367-D510 PolarHBondContact N-OD2 3.24Å; H367-D510 VanDerWaalsContact N-OD2 3.12Å; W411-D510 VanDerWaalsContact CD1-OD2 3.3Å; W411-D510 HydrophobicContact CG-CB 4.38Å; E414-D510 WeakPolarHBondContact CG-OD1 3.48Å; S421-D510 WeakPolarHBondContact CB-OD1 3.22Å; S421-D510 WeakPolarHBondContact OG-CB 3.26Å; S421-D510 PolarHBondContact OG-OD1 3.02Å; Y439-D510 VanDerWaalsContact OH-CB 3.27Å; Y439-D510 WeakPolarHBondContact OH-CB 3.48Å; D510-E512 PolarHBondContact O-N 3.22Å; D510-E512 VanDerWaalsContact O-N 3.15Å; D510-Y514 VanDerWaalsContact O-CD2 3.25Å; D510-Y514 WeakPolarHBondContact O-CD2 3.4Å
511	F	98.2	Very high	95.8	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-63.7	-14.9	175	68.1	-96.4	0	0	0	113.8	Y439 N441 L505 G506 S509 A513 Y514 F515	Y439-F511 HydrophobicContact CD1-CB 3.7Å; Y439-F511 HydrophobicContact CE1-CB 3.61Å; N441-F511 HydrophobicContact CB-CB 4.44Å; N441-F511 HydrophobicContact CB-CD1 4.25Å; L505-F511 HydrophobicContact CB-CD2 4.32Å; L505-F511 HydrophobicContact CB-CE2 3.86Å; L505-F511 HydrophobicContact CD1-CD2 4.3Å; L505-F511 HydrophobicContact CD2-CD1 4.43Å; L505-F511 HydrophobicContact CD2-CD2 3.97Å; L505-F511 HydrophobicContact CD2-CE1 4.17Å; L505-F511 HydrophobicContact CD2-CE2 3.69Å; L505-F511 HydrophobicContact CD2-CG 4.34Å; L505-F511 HydrophobicContact CD2-CZ 3.8Å; L505-F511 HydrophobicContact CG-CD2 4.44Å; L505-F511 HydrophobicContact CG-CE2 4.25Å; G506-F511 WeakPolarHBondContact O-CE2 3.49Å; S509-F511 PolarHBondContact O-N 3.19Å; F511-A513 PolarHBondContact O-N 2.76Å; F511-Y514 PolarHBondContact O-N 3.09Å; F511-F515 HydrophobicContact CD2-CB 4.45Å; F511-F515 WeakPolarHBondContact O-CB 3.2Å; F511-F515 PolarHBondContact O-N 3.03Å
512	E	98.3	Very high	95.9	Very high	3 Å²	3	8.1 Å²	8.1	1%	0.014	5%	0.046	C	C	.	.	H	α-helix	trans	-53	-52.7	-174.7	178.9	173.3	-121.8	0	0	112	G253 L418 S507 S509 D510 Q516 Y677 K689	G253-E512 WeakPolarHBondContact CA-OE2 3.19Å; L418-E512 HydrophobicContact CD1-CB 3.39Å; L418-E512 HydrophobicContact CD1-CG 4.07Å; L418-E512 VanDerWaalsContact CD1-OE2 3.25Å; L418-E512 WeakPolarHBondContact CD1-OE2 3.46Å; S507-E512 WeakPolarHBondContact CB-OE1 3.46Å; S507-E512 PolarHBondContact OG-OE1 2.84Å; S509-E512 PolarHBondContact O-N 3.38Å; D510-E512 PolarHBondContact O-N 3.22Å; D510-E512 VanDerWaalsContact O-N 3.15Å; E512-Q516 HydrophobicContact CG-CG 4.32Å; E512-Q516 VanDerWaalsContact O-CB 3.24Å; E512-Q516 WeakPolarHBondContact O-CB 3.5Å; E512-Q516 PolarHBondContact O-N 3.05Å; E512-Y677 HydrophobicContact CG-CE1 4.03Å; E512-Y677 WeakPolarHBondContact OE1-CE1 3.35Å; E512-Y677 PolarHBondContact OE1-OH 3.26Å; E512-K689 WeakPolarHBondContact OE1-CE 3.4Å; E512-K689 IonicContact OE1-NZ 3.67Å; E512-K689 PolarHBondContact OE1-NZ 3.01Å; E512-K689 IonicContact OE2-NZ 3.69Å; E512-K689 PolarHBondContact OE2-NZ 3.49Å
513	A	98.4	Very high	96	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.017	4%	0.043	C	C	.	.	I	π-helix	trans	-67	-40.2	-178	0	0	0	0	0	111.8	T422 A425 F511 R517 L518	T422-A513 HydrophobicContact CG2-CB 4.17Å; A425-A513 HydrophobicContact CB-CB 3.83Å; F511-A513 PolarHBondContact O-N 2.76Å; A513-R517 VanDerWaalsContact O-CB 3.3Å; A513-R517 WeakPolarHBondContact O-CB 3.46Å; A513-R517 PolarHBondContact O-N 3.28Å; A513-L518 WeakPolarHBondContact O-CG 3.47Å; A513-L518 PolarHBondContact O-N 2.94Å
514	Y	98.8	Very high	96.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-64.2	-46.8	179.7	-61.4	-91	0	0	0	111.3	I363 W411 W424 L432 Y439 D510 F511 L518 G519 I520	I363-Y514 HydrophobicContact CD1-CD1 4.12Å; I363-Y514 HydrophobicContact CD1-CE1 3.83Å; W411-Y514 WeakPolarHBondContact CH2-OH 3.49Å; W411-Y514 HydrophobicContact CZ2-CE2 4.3Å; W411-Y514 AromaticContact CZ2-CZ 3.86Å; W411-Y514 WeakPolarHBondContact CZ2-OH 3.34Å; W424-Y514 HydrophobicContact CE3-CE1 4.43Å; W424-Y514 VanDerWaalsContact CE3-OH 3.22Å; W424-Y514 HydrophobicContact CZ3-CE1 4.22Å; L432-Y514 HydrophobicContact CD1-CE1 4.06Å; Y439-Y514 HydrophobicContact CD1-CD2 4.39Å; Y439-Y514 HydrophobicContact CD1-CG 4.46Å; Y439-Y514 AromaticContact CD2-CD1 3.67Å; Y439-Y514 HydrophobicContact CD2-CD1 3.67Å; Y439-Y514 AromaticContact CD2-CD2 3.66Å; Y439-Y514 HydrophobicContact CD2-CD2 3.66Å; Y439-Y514 AromaticContact CD2-CE1 3.84Å; Y439-Y514 HydrophobicContact CD2-CE1 3.84Å; Y439-Y514 AromaticContact CD2-CE2 3.83Å; Y439-Y514 HydrophobicContact CD2-CE2 3.83Å; Y439-Y514 AromaticContact CD2-CG 3.59Å; Y439-Y514 HydrophobicContact CD2-CG 3.59Å; Y439-Y514 AromaticContact CD2-CZ 3.93Å; Y439-Y514 HydrophobicContact CE1-CD2 4.43Å; Y439-Y514 HydrophobicContact CE2-CD1 4.37Å; Y439-Y514 AromaticContact CE2-CD2 3.71Å; Y439-Y514 HydrophobicContact CE2-CD2 3.71Å; Y439-Y514 HydrophobicContact CE2-CE1 4.22Å; Y439-Y514 AromaticContact CE2-CE2 3.53Å; Y439-Y514 HydrophobicContact CE2-CE2 3.53Å; Y439-Y514 HydrophobicContact CE2-CG 4.14Å; Y439-Y514 AromaticContact CE2-CZ 3.82Å; Y439-Y514 HydrophobicContact CG-CD1 4.17Å; Y439-Y514 HydrophobicContact CG-CD2 4.03Å; Y439-Y514 AromaticContact CG-CG 3.8Å; Y439-Y514 HydrophobicContact CG-CG 3.8Å; D510-Y514 VanDerWaalsContact O-CD2 3.25Å; D510-Y514 WeakPolarHBondContact O-CD2 3.4Å; F511-Y514 PolarHBondContact O-N 3.09Å; Y514-L518 CarbonylContact O-C 3.47Å; Y514-L518 WeakPolarHBondContact O-CB 3.5Å; Y514-G519 PolarHBondContact O-N 3.47Å; Y514-G519 VanDerWaalsContact O-N 3.08Å; Y514-I520 HydrophobicContact CD1-CD1 3.78Å; Y514-I520 HydrophobicContact CG-CD1 4.47Å; Y514-I520 WeakPolarHBondContact O-CB 3.45Å; Y514-I520 PolarHBondContact O-N 3Å
515	F	98.6	Very high	96.3	Very high	1 Å²	1	4 Å²	4	0%	0.004	3%	0.027	C	C	.	.	I	π-helix	trans	-83.4	-57.8	-175.6	-171.5	-119.9	0	0	0	112.6	L505 F511 R517 G519 I520 E662 H679 F682	L505-F515 HydrophobicContact CB-CD1 3.69Å; L505-F515 HydrophobicContact CB-CE1 3.63Å; L505-F515 HydrophobicContact CB-CZ 4.42Å; L505-F515 HydrophobicContact CD1-CD1 4.05Å; L505-F515 HydrophobicContact CD1-CD2 4.32Å; L505-F515 HydrophobicContact CD1-CE1 4.23Å; L505-F515 HydrophobicContact CD1-CE2 4.49Å; L505-F515 HydrophobicContact CD1-CG 4.09Å; L505-F515 HydrophobicContact CD1-CZ 4.43Å; F511-F515 HydrophobicContact CD2-CB 4.45Å; F511-F515 WeakPolarHBondContact O-CB 3.2Å; F511-F515 PolarHBondContact O-N 3.03Å; F515-R517 PolarHBondContact O-N 3.49Å; F515-G519 WeakPolarHBondContact O-CA 3.46Å; F515-G519 PolarHBondContact O-N 2.95Å; F515-I520 WeakPolarHBondContact CD2-O 3.34Å; F515-E662 HydrophobicContact CE2-CG 4.25Å; F515-H679 AromaticContact CE2-CD2 3.89Å; F515-H679 AromaticContact CE2-NE2 3.78Å; F515-H679 AromaticContact CZ-CD2 3.77Å; F515-H679 AromaticContact CZ-NE2 3.66Å; F515-F682 HydrophobicContact CE1-CB 3.75Å; F515-F682 AromaticContact CE1-CD2 3.92Å; F515-F682 HydrophobicContact CE1-CD2 3.92Å; F515-F682 HydrophobicContact CE1-CG 4.05Å; F515-F682 HydrophobicContact CZ-CB 4.2Å; F515-F682 AromaticContact CZ-CD2 3.46Å; F515-F682 HydrophobicContact CZ-CD2 3.46Å; F515-F682 VanDerWaalsContact CZ-CD2 3.46Å; F515-F682 HydrophobicContact CZ-CE2 4.09Å; F515-F682 HydrophobicContact CZ-CG 4.06Å
516	Q	98	Very high	96.5	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.005	3%	0.029	C	C	.	.	I	π-helix	trans	-76.9	-26.3	-168.4	-55.9	-63.8	-3.2	0	0	113.5	L505 G506 E512 Y677 R678 H679 F682	L505-Q516 PolarHBondContact O-NE2 2.77Å; G506-Q516 PolarHBondContact O-NE2 3.06Å; E512-Q516 HydrophobicContact CG-CG 4.32Å; E512-Q516 VanDerWaalsContact O-CB 3.24Å; E512-Q516 WeakPolarHBondContact O-CB 3.5Å; E512-Q516 PolarHBondContact O-N 3.05Å; Q516-Y677 HydrophobicContact CB-CD1 3.92Å; Q516-Y677 HydrophobicContact CB-CE1 4.45Å; Q516-R678 PolarHBondContact O-N 3.03Å; Q516-H679 PolarHBondContact O-N 2.9Å; Q516-F682 PolarHBondContact OE1-O 3.16Å
517	R	98	Very high	97.2	Very high	11 Å²	11	4.4 Å²	4.4	4%	0.042	3%	0.027	C	C	.	.	I	π-helix	trans	-107.9	-44.2	-175.2	-172.1	-165.1	-79.4	-161.5	-16.5	112.3	G253 A254 E426 A513 F515 F676	G253-R517 PolarHBondContact O-NE 3.37Å; G253-R517 PolarHBondContact O-NH2 3.24Å; A254-R517 VanDerWaalsContact CA-NH2 3.32Å; A254-R517 PolarHBondContact O-NH2 3.16Å; E426-R517 VanDerWaalsContact CD-NH1 3.3Å; E426-R517 IonicContact OE1-CZ 3.88Å; E426-R517 IonicContact OE1-NH1 3.79Å; E426-R517 PolarHBondContact OE1-NH1 3.03Å; E426-R517 IonicContact OE1-NH2 3.31Å; E426-R517 PolarHBondContact OE1-NH2 2.91Å; A513-R517 VanDerWaalsContact O-CB 3.3Å; A513-R517 WeakPolarHBondContact O-CB 3.46Å; A513-R517 PolarHBondContact O-N 3.28Å; F515-R517 PolarHBondContact O-N 3.49Å; R517-F676 WeakPolarHBondContact CB-O 3.46Å; R517-F676 WeakPolarHBondContact CG-O 3.31Å; R517-F676 VanDerWaalsContact CZ-CD1 3.46Å; R517-F676 VanDerWaalsContact NH2-CG 3.31Å
518	L	98.6	Very high	97.7	Very high	4 Å²	4	4.3 Å²	4.3	2%	0.021	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-16.2	-176.8	-56.6	-175.3	0	0	0	114	A425 A429 L432 Q433 A513 Y514 I520 R663	A425-L518 HydrophobicContact CB-CD1 4Å; A429-L518 HydrophobicContact CB-CD2 4.07Å; L432-L518 HydrophobicContact CB-CD1 4.08Å; L432-L518 HydrophobicContact CD1-CD1 4.02Å; Q433-L518 HydrophobicContact CG-CB 4.27Å; Q433-L518 HydrophobicContact CG-CD2 3.96Å; A513-L518 WeakPolarHBondContact O-CG 3.47Å; A513-L518 PolarHBondContact O-N 2.94Å; Y514-L518 CarbonylContact O-C 3.47Å; Y514-L518 WeakPolarHBondContact O-CB 3.5Å; L518-I520 HydrophobicContact CB-CD1 3.82Å; L518-I520 HydrophobicContact CB-CG1 4.05Å; L518-I520 HydrophobicContact CD1-CD1 3.89Å; L518-R663 WeakPolarHBondContact O-CD 3.43Å; L518-R663 PolarHBondContact O-NE 3.22Å; L518-R663 VanDerWaalsContact O-NE 3.15Å
519	G	98.4	Very high	98.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.			trans	73.9	29.9	-179.6	0	0	0	0	0	114.3	Y514 F515 E662 R663 I666	Y514-G519 PolarHBondContact O-N 3.47Å; Y514-G519 VanDerWaalsContact O-N 3.08Å; F515-G519 WeakPolarHBondContact O-CA 3.46Å; F515-G519 PolarHBondContact O-N 2.95Å; G519-E662 CarbonylContact O-C 3.36Å; G519-E662 WeakPolarHBondContact O-CB 3.15Å; G519-E662 VanDerWaalsContact O-CG 3.24Å; G519-E662 WeakPolarHBondContact O-CG 3.28Å; G519-R663 WeakPolarHBondContact O-CD 3.42Å; G519-R663 PolarHBondContact O-N 3.5Å; G519-R663 PolarHBondContact O-NH1 3.29Å; G519-I666 VanDerWaalsContact CA-CG1 3.5Å
520	I	98.9	Very high	98.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.			trans	-86.5	123.2	178.9	-59.6	163.4	0	0	0	109.5	L432 A436 Y514 F515 L518 S522 R663	L432-I520 HydrophobicContact CB-CD1 4.12Å; A436-I520 HydrophobicContact CB-CD1 3.69Å; A436-I520 HydrophobicContact CB-CG1 3.98Å; A436-I520 HydrophobicContact CB-CG2 4.01Å; Y514-I520 HydrophobicContact CD1-CD1 3.78Å; Y514-I520 HydrophobicContact CG-CD1 4.47Å; Y514-I520 WeakPolarHBondContact O-CB 3.45Å; Y514-I520 PolarHBondContact O-N 3Å; F515-I520 WeakPolarHBondContact CD2-O 3.34Å; L518-I520 HydrophobicContact CB-CD1 3.82Å; L518-I520 HydrophobicContact CB-CG1 4.05Å; L518-I520 HydrophobicContact CD1-CD1 3.89Å; I520-S522 PolarHBondContact O-N 2.93Å; I520-S522 VanDerWaalsContact O-N 3.13Å; I520-S522 PolarHBondContact O-OG 3.34Å; I520-R663 VanDerWaalsContact CA-NH1 3.33Å; I520-R663 VanDerWaalsContact CG1-CZ 3.48Å
521	A	98.8	Very high	97.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	120.8	176.3	0	0	0	0	0	109.7	A438 Y439 T457 L459 F585 E662	A438-A521 CarbonylContact C-O 3.15Å; A438-A521 WeakPolarHBondContact CA-O 3.33Å; A438-A521 WeakPolarHBondContact CB-O 3.21Å; Y439-A521 PolarHBondContact N-O 3.25Å; T457-A521 HydrophobicContact CG2-CB 3.93Å; L459-A521 HydrophobicContact CD1-CB 4.12Å; A521-F585 HydrophobicContact CB-CE1 4.36Å; A521-F585 HydrophobicContact CB-CE2 4.41Å; A521-F585 HydrophobicContact CB-CZ 3.88Å; A521-E662 HydrophobicContact CB-CB 4.48Å
522	S	98.9	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.8	-168.8	-65.1	0	0	0	0	112.8	Y439 C456 T457 L460 L505 I520	Y439-S522 CarbonylContact O-C 3.52Å; Y439-S522 WeakPolarHBondContact O-CA 3.34Å; C456-S522 WeakPolarHBondContact CA-O 3.33Å; C456-S522 WeakPolarHBondContact CB-O 3.45Å; T457-S522 PolarHBondContact N-O 3.37Å; T457-S522 VanDerWaalsContact N-O 3.1Å; L460-S522 WeakPolarHBondContact CD1-O 3.25Å; L505-S522 VanDerWaalsContact CD1-O 3.25Å; L505-S522 WeakPolarHBondContact CD1-O 3.3Å; I520-S522 PolarHBondContact O-N 2.93Å; I520-S522 VanDerWaalsContact O-N 3.13Å; I520-S522 PolarHBondContact O-OG 3.34Å
523	G	98.5	Very high	96.9	Very high	5 Å²	5	20.4 Å²	20.4	5%	0.052	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.4	174	0	0	0	0	0	113.8	Y439 I440 N441 D455	Y439-G523 PolarHBondContact O-N 2.92Å; I440-G523 WeakPolarHBondContact CA-O 3.43Å; N441-G523 PolarHBondContact N-O 3.37Å; D455-G523 CarbonylContact O-C 3.15Å; D455-G523 WeakPolarHBondContact O-CA 3.3Å
524	R	98.1	Very high	96.5	Very high	15 Å²	15	22.4 Å²	22.4	6%	0.057	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.7	169.9	72.3	178.8	-66	175.1	1.8	110.6	N441 D443 E447 V454 D455 L505	N441-R524 HydrophobicContact CB-CB 3.82Å; D443-R524 IonicContact OD2-CZ 3.66Å; D443-R524 IonicContact OD2-NH1 3.44Å; D443-R524 IonicContact OD2-NH2 3.11Å; D443-R524 PolarHBondContact OD2-NH2 2.92Å; E447-R524 IonicContact OE1-NH2 3.37Å; V454-R524 WeakPolarHBondContact CA-O 3.34Å; D455-R524 HydrophobicContact CB-CG 3.88Å; D455-R524 PolarHBondContact N-O 3.05Å; D455-R524 PolarHBondContact O-N 2.93Å; D455-R524 WeakPolarHBondContact OD2-CD 3.46Å; D455-R524 WeakPolarHBondContact OD2-CG 3.43Å; L505-R524 HydrophobicContact CD2-CG 4.4Å
525	V	98	Very high	96	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138	179.6	-57.4	0	0	0	0	109.9	L452 R453 V454 I566 L569 R570 L573	L452-V525 HydrophobicContact CD1-CB 4.46Å; R453-V525 WeakPolarHBondContact O-CA 3.5Å; V454-V525 HydrophobicContact CB-CG1 4.46Å; V454-V525 HydrophobicContact CG1-CG1 4.12Å; V454-V525 HydrophobicContact CG2-CG1 3.95Å; V525-I566 HydrophobicContact CG2-CG2 4.4Å; V525-L569 HydrophobicContact CB-CD2 3.98Å; V525-L569 HydrophobicContact CG1-CD2 3.91Å; V525-L569 HydrophobicContact CG1-CG 4.39Å; V525-L569 HydrophobicContact CG2-CD2 4.1Å; V525-L569 HydrophobicContact CG2-CG 4.24Å; V525-R570 HydrophobicContact CG2-CG 3.36Å; V525-R570 PolarHBondContact O-NE 3.46Å; V525-R570 PolarHBondContact O-NH2 3.42Å; V525-L573 HydrophobicContact CG1-CD1 4.1Å
526	R	98.5	Very high	95.6	Very high	16 Å²	16	31.2 Å²	31.2	6%	0.06	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	164.4	179.2	65.6	-169.2	-171.1	-113.4	34.2	111.2	S444 E447 R453 D455	S444-R526 WeakPolarHBondContact O-CB 3.29Å; E447-R526 WeakPolarHBondContact OE1-CD 3.26Å; E447-R526 IonicContact OE1-CZ 3.29Å; E447-R526 VanDerWaalsContact OE1-CZ 3.3Å; E447-R526 IonicContact OE1-NE 2.71Å; E447-R526 PolarHBondContact OE1-NE 2.97Å; E447-R526 IonicContact OE1-NH2 2.98Å; E447-R526 PolarHBondContact OE1-NH2 3.34Å; E447-R526 IonicContact OE2-CZ 3.55Å; E447-R526 VanDerWaalsContact OE2-CZ 3.31Å; E447-R526 IonicContact OE2-NE 3.34Å; E447-R526 PolarHBondContact OE2-NE 3.37Å; E447-R526 IonicContact OE2-NH2 3.01Å; E447-R526 PolarHBondContact OE2-NH2 2.98Å; R453-R526 HydrophobicContact CB-CG 4.18Å; R453-R526 VanDerWaalsContact CD-CZ 3.47Å; R453-R526 VanDerWaalsContact CZ-NH2 3.34Å; R453-R526 PolarHBondContact N-O 3.48Å; R453-R526 PolarHBondContact O-N 3.47Å; D455-R526 IonicContact OD2-CZ 3.31Å; D455-R526 IonicContact OD2-NH1 2.66Å; D455-R526 PolarHBondContact OD2-NH1 3.14Å
527	Y	98.6	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.9	166.5	-103.4	-98	0	0	0	111.2	S445 I446 E447 G448 T451 P474 D475 L483 K562 T565 I566	S445-Y527 PolarHBondContact O-N 3.27Å; I446-Y527 HydrophobicContact CD1-CG 4.23Å; E447-Y527 PolarHBondContact N-O 3.02Å; G448-Y527 CarbonylContact O-C 3.52Å; G448-Y527 VanDerWaalsContact O-C 3.29Å; G448-Y527 WeakPolarHBondContact O-CB 3.44Å; T451-Y527 WeakPolarHBondContact O-CA 3.42Å; T451-Y527 WeakPolarHBondContact O-CD1 3.47Å; P474-Y527 WeakPolarHBondContact CD-OH 3.28Å; P474-Y527 HydrophobicContact CG-CE2 4.01Å; P474-Y527 WeakPolarHBondContact CG-OH 3.27Å; D475-Y527 WeakPolarHBondContact OD1-CE1 3.19Å; D475-Y527 VanDerWaalsContact OD1-CZ 3.3Å; D475-Y527 PolarHBondContact OD1-OH 3.3Å; L483-Y527 HydrophobicContact CD1-CE2 4.49Å; Y527-K562 HydrophobicContact CD1-CB 4.31Å; Y527-K562 HydrophobicContact CD1-CD 3.77Å; Y527-K562 HydrophobicContact CD1-CG 4.22Å; Y527-K562 HydrophobicContact CD2-CB 3.97Å; Y527-K562 HydrophobicContact CE1-CB 4.43Å; Y527-K562 HydrophobicContact CE1-CD 3.85Å; Y527-K562 HydrophobicContact CE1-CG 4.02Å; Y527-K562 HydrophobicContact CE2-CB 4.13Å; Y527-K562 HydrophobicContact CE2-CG 4.42Å; Y527-K562 HydrophobicContact CG-CB 4.08Å; Y527-K562 HydrophobicContact CG-CD 4.32Å; Y527-K562 HydrophobicContact CG-CG 4.49Å; Y527-T565 HydrophobicContact CE2-CG2 4.36Å; Y527-I566 HydrophobicContact CD2-CD1 3.82Å; Y527-I566 HydrophobicContact CD2-CG1 3.82Å; Y527-I566 HydrophobicContact CE2-CD1 4.39Å
528	T	98.1	Very high	94.6	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	165.1	-175.4	-172.8	0	0	0	0	112.1	G448 Y450 T451 R453	G448-T528 CarbonylContact C-O 3.52Å; G448-T528 CarbonylContact O-C 3.44Å; G448-T528 PolarHBondContact O-N 3.08Å; G448-T528 VanDerWaalsContact O-N 3.16Å; Y450-T528 VanDerWaalsContact CB-O 3.32Å; Y450-T528 WeakPolarHBondContact CB-O 3.25Å; Y450-T528 PolarHBondContact N-O 3.18Å; T451-T528 HydrophobicContact CG2-CG2 4.36Å; T451-T528 PolarHBondContact N-O 3.39Å; T451-T528 WeakPolarHBondContact O-CG2 3.46Å; T451-T528 PolarHBondContact O-N 3.06Å; R453-T528 HydrophobicContact CB-CG2 3.67Å
529	K	95.9	Very high	94.5	Very high	27 Å²	27	34.3 Å²	34.3	12%	0.117	17%	0.171	C	C	.	.			trans	-66.3	167.3	169.1	71	-171.4	179.2	76.5	0	114.8	R531 D534 F536 N538	K529-R531 PolarHBondContact O-N 3.34Å; K529-D534 HydrophobicContact CB-CB 4.25Å; K529-D534 WeakPolarHBondContact CB-OD2 3.44Å; K529-D534 HydrophobicContact CD-CB 3.98Å; K529-D534 HydrophobicContact CG-CB 4.16Å; K529-D534 PolarHBondContact NZ-O 3.4Å; K529-F536 HydrophobicContact CB-CE2 4.43Å; K529-F536 HydrophobicContact CB-CZ 4.27Å; K529-F536 HydrophobicContact CD-CD2 3.69Å; K529-F536 HydrophobicContact CD-CE1 4.48Å; K529-F536 HydrophobicContact CD-CE2 3.16Å; K529-F536 HydrophobicContact CD-CZ 3.62Å; K529-F536 WeakPolarHBondContact CE-O 3.18Å; K529-F536 HydrophobicContact CG-CE2 4.42Å; K529-F536 PolarHBondContact NZ-O 3.42Å; K529-N538 WeakPolarHBondContact CD-O 3.08Å; K529-N538 WeakPolarHBondContact CE-O 3.37Å
530	N	95.4	Very high	94.5	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	17%	0.171	C	C	.	.			trans	-78.4	97.4	175	-178.4	-9.4	0	0	0	110.5	Y450 K532 A533 D534	Y450-N530 VanDerWaalsContact CD1-CA 3.5Å; Y450-N530 HydrophobicContact CD1-CB 3.58Å; Y450-N530 HydrophobicContact CD2-CB 3.91Å; Y450-N530 HydrophobicContact CE1-CB 3.82Å; Y450-N530 HydrophobicContact CE2-CB 4.16Å; Y450-N530 HydrophobicContact CG-CB 3.62Å; N530-K532 PolarHBondContact O-N 3.09Å; N530-K532 WeakPolarHBondContact OD1-CB 3.46Å; N530-K532 PolarHBondContact OD1-N 3.37Å; N530-A533 HydrophobicContact CB-CB 4.3Å; N530-A533 PolarHBondContact O-N 3.13Å; N530-A533 VanDerWaalsContact O-N 3.09Å; N530-A533 PolarHBondContact OD1-N 3.46Å; N530-D534 WeakPolarHBondContact CA-OD2 3.29Å; N530-D534 WeakPolarHBondContact CB-OD2 3.28Å; N530-D534 PolarHBondContact N-OD2 3.41Å; N530-D534 WeakPolarHBondContact O-CA 3.44Å; N530-D534 WeakPolarHBondContact O-CB 3.48Å; N530-D534 PolarHBondContact O-N 3.23Å
531	R	88.6	Confident	94.4	Very high	91 Å²	91	34.4 Å²	34.4	34%	0.343	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.1	-177.5	-58.9	-178.4	-176.6	176.9	6.7	115.1	N503 K529	N503-R531 PolarHBondContact ND2-NH2 3.01Å; N503-R531 VanDerWaalsContact ND2-NH2 3.18Å; N503-R531 PolarHBondContact OD1-NH1 2.9Å; N503-R531 VanDerWaalsContact OD1-NH1 3.15Å; K529-R531 PolarHBondContact O-N 3.34Å
532	K	88.6	Confident	94.4	Very high	152 Å²	152	35.6 Å²	35.6	66%	0.661	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-36.3	178.4	-62.8	175	-177.2	165.1	0	111.9	N530	N530-K532 PolarHBondContact O-N 3.09Å; N530-K532 WeakPolarHBondContact OD1-CB 3.46Å; N530-K532 PolarHBondContact OD1-N 3.37Å
533	A	90.9	Very high	94.4	Very high	63 Å²	63	35.7 Å²	35.7	52%	0.521	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-42.4	-179.4	0	0	0	0	0	112	N530 K535	N530-A533 HydrophobicContact CB-CB 4.3Å; N530-A533 PolarHBondContact O-N 3.13Å; N530-A533 VanDerWaalsContact O-N 3.09Å; N530-A533 PolarHBondContact OD1-N 3.46Å; A533-K535 PolarHBondContact O-N 3.24Å
534	D	90.6	Very high	94.4	Very high	44 Å²	44	35.6 Å²	35.6	24%	0.235	17%	0.174	C	C	.	.			trans	-89.8	101.1	-171.3	-59.7	-37.1	0	0	0	111.1	K529 N530 F536	K529-D534 HydrophobicContact CB-CB 4.25Å; K529-D534 WeakPolarHBondContact CB-OD2 3.44Å; K529-D534 HydrophobicContact CD-CB 3.98Å; K529-D534 HydrophobicContact CG-CB 4.16Å; K529-D534 PolarHBondContact NZ-O 3.4Å; N530-D534 WeakPolarHBondContact CA-OD2 3.29Å; N530-D534 WeakPolarHBondContact CB-OD2 3.28Å; N530-D534 PolarHBondContact N-OD2 3.41Å; N530-D534 WeakPolarHBondContact O-CA 3.44Å; N530-D534 WeakPolarHBondContact O-CB 3.48Å; N530-D534 PolarHBondContact O-N 3.23Å; D534-F536 HydrophobicContact CB-CD1 3.97Å; D534-F536 HydrophobicContact CB-CE1 3.44Å; D534-F536 VanDerWaalsContact CB-CE1 3.44Å; D534-F536 HydrophobicContact CB-CZ 3.79Å
535	K	88.7	Confident	94.4	Very high	177 Å²	177	34.9 Å²	34.9	77%	0.77	17%	0.172	S	C	*	.			trans	-82.7	-12.6	-176.5	-63.1	-174	-174	178.6	0	114.9	A533	A533-K535 PolarHBondContact O-N 3.24Å
536	F	89.3	Confident	94.4	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.044	17%	0.174	C	C	.	.	S	Bend	trans	-62.6	152.5	177.2	55.1	-94.8	0	0	0	111.5	D223 A226 W236 K529 D534 N538	D223-F536 CarbonylContact O-C 3.45Å; D223-F536 VanDerWaalsContact O-CA 3.24Å; D223-F536 WeakPolarHBondContact O-CA 3.4Å; D223-F536 WeakPolarHBondContact O-CB 3.39Å; A226-F536 HydrophobicContact CB-CD1 4.18Å; A226-F536 HydrophobicContact CB-CE1 3.85Å; W236-F536 HydrophobicContact CH2-CE1 4.06Å; W236-F536 AromaticContact CH2-CZ 3.89Å; W236-F536 HydrophobicContact CH2-CZ 3.89Å; W236-F536 HydrophobicContact CZ3-CE1 4.25Å; W236-F536 HydrophobicContact CZ3-CE2 4.4Å; W236-F536 AromaticContact CZ3-CZ 3.85Å; W236-F536 HydrophobicContact CZ3-CZ 3.85Å; K529-F536 HydrophobicContact CB-CE2 4.43Å; K529-F536 HydrophobicContact CB-CZ 4.27Å; K529-F536 HydrophobicContact CD-CD2 3.69Å; K529-F536 HydrophobicContact CD-CE1 4.48Å; K529-F536 HydrophobicContact CD-CE2 3.16Å; K529-F536 HydrophobicContact CD-CZ 3.62Å; K529-F536 WeakPolarHBondContact CE-O 3.18Å; K529-F536 HydrophobicContact CG-CE2 4.42Å; K529-F536 PolarHBondContact NZ-O 3.42Å; D534-F536 HydrophobicContact CB-CD1 3.97Å; D534-F536 HydrophobicContact CB-CE1 3.44Å; D534-F536 VanDerWaalsContact CB-CE1 3.44Å; D534-F536 HydrophobicContact CB-CZ 3.79Å; F536-N538 WeakPolarHBondContact CD2-O 3.22Å; F536-N538 VanDerWaalsContact CE2-O 3.25Å; F536-N538 WeakPolarHBondContact CE2-O 3.45Å
537	S	85	Confident	94.4	Very high	43 Å²	43	35 Å²	35	30%	0.301	17%	0.172	S	C	.	.	S	Bend	trans	-76.2	-50.9	-164.7	-75.6	0	0	0	0	113.8	G196 D223	G196-S537 VanDerWaalsContact CA-OG 3.31Å; G196-S537 WeakPolarHBondContact CA-OG 3.46Å; D223-S537 PolarHBondContact O-N 2.9Å
538	N	89.6	Confident	94.4	Very high	36 Å²	36	35 Å²	35	19%	0.193	17%	0.172	C	C	.	.	S	Bend	trans	-117.9	-118.1	178	-165.6	-4.7	0	0	0	109.1	K529 F536 Y542	K529-N538 WeakPolarHBondContact CD-O 3.08Å; K529-N538 WeakPolarHBondContact CE-O 3.37Å; F536-N538 WeakPolarHBondContact CD2-O 3.22Å; F536-N538 VanDerWaalsContact CE2-O 3.25Å; F536-N538 WeakPolarHBondContact CE2-O 3.45Å; N538-Y542 HydrophobicContact CB-CG 4.48Å; N538-Y542 VanDerWaalsContact ND2-CD2 3.27Å; N538-Y542 WeakPolarHBondContact ND2-CD2 3.35Å; N538-Y542 WeakPolarHBondContact ND2-CE2 3.22Å
539	Y	96.8	Very high	94.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	17%	0.171	C	C	.	.			trans	-117	150.9	158.8	53.6	-90.6	0	0	0	109.3	I376 D377 E447 V541 Y542 E547 Y556	I376-Y539 HydrophobicContact CB-CE2 4.16Å; I376-Y539 HydrophobicContact CD1-CD2 3.86Å; I376-Y539 HydrophobicContact CD1-CE2 3.81Å; I376-Y539 HydrophobicContact CD1-CG 4.32Å; I376-Y539 HydrophobicContact CG2-CE1 3.95Å; I376-Y539 HydrophobicContact CG2-CE2 4.38Å; D377-Y539 WeakPolarHBondContact CB-OH 3.31Å; E447-Y539 HydrophobicContact CB-CD1 4.05Å; E447-Y539 HydrophobicContact CG-CD1 4.01Å; E447-Y539 HydrophobicContact CG-CE1 4.02Å; Y539-V541 HydrophobicContact CD2-CG2 4.26Å; Y539-V541 PolarHBondContact O-N 3.47Å; Y539-Y542 AromaticContact CE1-CD2 3.96Å; Y539-Y542 HydrophobicContact CE1-CD2 3.96Å; Y539-Y542 HydrophobicContact CE2-CD2 4.17Å; Y539-Y542 HydrophobicContact CE2-CG 4.5Å; Y539-Y542 AromaticContact CZ-CD2 3.61Å; Y539-Y542 VanDerWaalsContact O-CB 3.32Å; Y539-Y542 WeakPolarHBondContact O-CB 3.34Å; Y539-Y542 PolarHBondContact O-N 3.07Å; Y539-Y542 WeakPolarHBondContact OH-CD2 3.22Å; Y539-E547 HydrophobicContact CE2-CG 4.35Å; Y539-E547 PolarHBondContact OH-OE1 3.04Å; Y539-E547 PolarHBondContact OH-OE2 3.2Å; Y539-Y556 WeakPolarHBondContact CB-OH 3.49Å
540	P	97.9	Very high	94.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-48.3	-168.4	-39.2	43.8	0	0	0	117.3	Y224 W236 L238 Y542	Y224-P540 WeakPolarHBondContact O-CA 3.3Å; Y224-P540 WeakPolarHBondContact O-CB 3.16Å; W236-P540 HydrophobicContact CE3-CG 3.63Å; W236-P540 HydrophobicContact CZ3-CG 3.58Å; W236-P540 WeakPolarHBondContact O-CB 3.39Å; L238-P540 HydrophobicContact CB-CB 4.29Å; P540-Y542 VanDerWaalsContact C-N 3.28Å; P540-Y542 PolarHBondContact O-N 3.2Å
541	V	98.3	Very high	94.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	13.2	-170.9	-64.7	0	0	0	0	113.9	Y539 H543 T544 E547 L551	Y539-V541 HydrophobicContact CD2-CG2 4.26Å; Y539-V541 PolarHBondContact O-N 3.47Å; V541-H543 PolarHBondContact O-N 3.34Å; V541-T544 WeakPolarHBondContact O-CB 3.47Å; V541-T544 WeakPolarHBondContact O-CG2 3.43Å; V541-T544 PolarHBondContact O-N 3.3Å; V541-T544 PolarHBondContact O-OG1 2.8Å; V541-E547 HydrophobicContact CG2-CG 4.22Å; V541-E547 WeakPolarHBondContact O-CG 3.35Å; V541-L551 HydrophobicContact CG2-CD1 3.98Å; V541-L551 HydrophobicContact CG2-CD2 3.38Å; V541-L551 HydrophobicContact CG2-CG 4.32Å
542	Y	98.4	Very high	95.2	Very high	26 Å²	26	29.2 Å²	29.2	10%	0.102	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	128.4	-178.9	176.8	-117.8	0	0	0	113.8	R200 Q244 D377 N538 Y539 P540 T544 E547	R200-Y542 VanDerWaalsContact NH2-CE1 3.32Å; Q244-Y542 HydrophobicContact CG-CD1 4.06Å; Q244-Y542 HydrophobicContact CG-CE1 4.47Å; Q244-Y542 WeakPolarHBondContact CG-O 3.37Å; D377-Y542 WeakPolarHBondContact OD2-CE2 3.29Å; N538-Y542 HydrophobicContact CB-CG 4.48Å; N538-Y542 VanDerWaalsContact ND2-CD2 3.27Å; N538-Y542 WeakPolarHBondContact ND2-CD2 3.35Å; N538-Y542 WeakPolarHBondContact ND2-CE2 3.22Å; Y539-Y542 AromaticContact CE1-CD2 3.96Å; Y539-Y542 HydrophobicContact CE1-CD2 3.96Å; Y539-Y542 HydrophobicContact CE2-CD2 4.17Å; Y539-Y542 HydrophobicContact CE2-CG 4.5Å; Y539-Y542 AromaticContact CZ-CD2 3.61Å; Y539-Y542 VanDerWaalsContact O-CB 3.32Å; Y539-Y542 WeakPolarHBondContact O-CB 3.34Å; Y539-Y542 PolarHBondContact O-N 3.07Å; Y539-Y542 WeakPolarHBondContact OH-CD2 3.22Å; P540-Y542 VanDerWaalsContact C-N 3.28Å; P540-Y542 PolarHBondContact O-N 3.2Å; Y542-T544 VanDerWaalsContact C-N 3.26Å; Y542-T544 PolarHBondContact O-N 2.79Å; Y542-E547 VanDerWaalsContact CA-OE1 3.26Å; Y542-E547 WeakPolarHBondContact CA-OE1 3.3Å
543	H	98.5	Very high	95.7	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	32	-176.7	-61.2	-171.1	0	0	0	115.4	Q244 R245 W371 D377 E415 V541 E547	Q244-H543 HydrophobicContact CG-CB 3.93Å; R245-H543 HydrophobicContact CB-CB 4.25Å; R245-H543 PolarHBondContact N-O 2.65Å; R245-H543 PolarHBondContact NH1-O 3.46Å; R245-H543 VanDerWaalsContact O-CB 3.29Å; R245-H543 WeakPolarHBondContact O-CB 3.35Å; R245-H543 PolarHBondContact O-ND1 3.46Å; W371-H543 AromaticContact CD1-CD2 3.56Å; W371-H543 AromaticContact CD1-CE1 3.43Å; W371-H543 VanDerWaalsContact CD1-CE1 3.43Å; W371-H543 AromaticContact CD1-CG 3.3Å; W371-H543 AromaticContact CD1-ND1 3.26Å; W371-H543 VanDerWaalsContact CD1-ND1 3.26Å; W371-H543 AromaticContact CD1-NE2 3.68Å; W371-H543 HydrophobicContact CG-CB 4.24Å; W371-H543 AromaticContact NE1-CE1 3.15Å; W371-H543 PolarHBondContact NE1-CE1 2.99Å; W371-H543 AromaticContact NE1-CG 3.72Å; W371-H543 AromaticContact NE1-ND1 3.13Å; W371-H543 PolarHBondContact NE1-ND1 3.26Å; W371-H543 VanDerWaalsContact NE1-ND1 3.13Å; W371-H543 AromaticContact NE1-NE2 3.81Å; D377-H543 IonicContact OD2-CD2 2.67Å; D377-H543 IonicContact OD2-NE2 2.87Å; D377-H543 PolarHBondContact OD2-NE2 3.37Å; E415-H543 IonicContact OE1-CD2 2.92Å; E415-H543 IonicContact OE1-CE1 3.07Å; E415-H543 IonicContact OE1-NE2 2.63Å; E415-H543 PolarHBondContact OE1-NE2 3.32Å; E415-H543 VanDerWaalsContact OE1-NE2 3.11Å; E415-H543 IonicContact OE2-CE1 2.93Å; E415-H543 PolarHBondContact OE2-CE1 3.31Å; E415-H543 IonicContact OE2-ND1 2.98Å; E415-H543 IonicContact OE2-NE2 3.92Å; E415-H543 PolarHBondContact OE2-NE2 2.75Å; V541-H543 PolarHBondContact O-N 3.34Å; H543-E547 PolarHBondContact N-OE1 3.05Å
544	T	98.6	Very high	96	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	13%	0.128	C	C	.	.	S	Bend	trans	-109.5	171.1	176.4	71.1	0	0	0	0	111.6	E135 L238 V541 Y542 Y546 E547	E135-T544 VanDerWaalsContact OE1-CB 3.29Å; E135-T544 WeakPolarHBondContact OE1-CB 3.38Å; L238-T544 HydrophobicContact CD1-CG2 3.7Å; V541-T544 WeakPolarHBondContact O-CB 3.47Å; V541-T544 WeakPolarHBondContact O-CG2 3.43Å; V541-T544 PolarHBondContact O-N 3.3Å; V541-T544 PolarHBondContact O-OG1 2.8Å; Y542-T544 VanDerWaalsContact C-N 3.26Å; Y542-T544 PolarHBondContact O-N 2.79Å; T544-Y546 PolarHBondContact O-N 2.75Å; T544-Y546 PolarHBondContact OG1-N 3.32Å; T544-Y546 VanDerWaalsContact OG1-N 3.16Å; T544-E547 PolarHBondContact O-N 2.74Å
545	V	98.4	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.6	170.1	76.1	0	0	0	0	112.9	E135 P138 I147 V372 F373 E547	E135-V545 HydrophobicContact CB-CB 4.17Å; E135-V545 HydrophobicContact CB-CG1 3.56Å; E135-V545 HydrophobicContact CG-CG1 4.3Å; E135-V545 PolarHBondContact OE2-N 3.25Å; P138-V545 HydrophobicContact CG-CG2 4.3Å; I147-V545 HydrophobicContact CD1-CG2 4.14Å; I147-V545 HydrophobicContact CG2-CG2 4Å; V372-V545 HydrophobicContact CG1-CG2 4.11Å; F373-V545 HydrophobicContact CE2-CG2 3.96Å; V545-E547 VanDerWaalsContact C-N 3.31Å; V545-E547 PolarHBondContact O-N 2.99Å
546	Y	98.6	Very high	96.9	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.063	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	1.7	-175.2	-53.5	-67.3	0	0	0	114	P136 P138 Y232 P239 T544 T548	P136-Y546 PolarHBondContact O-OH 3Å; P138-Y546 HydrophobicContact CB-CD1 4.13Å; P138-Y546 HydrophobicContact CB-CE1 4.46Å; Y232-Y546 AromaticContact CD1-CD1 3.47Å; Y232-Y546 HydrophobicContact CD1-CD1 3.47Å; Y232-Y546 VanDerWaalsContact CD1-CD1 3.47Å; Y232-Y546 HydrophobicContact CD1-CE1 4.25Å; Y232-Y546 HydrophobicContact CD1-CG 4.17Å; Y232-Y546 HydrophobicContact CE1-CD1 4.04Å; Y232-Y546 HydrophobicContact CG-CD1 4.18Å; Y232-Y546 HydrophobicContact CG-CG 4.46Å; P239-Y546 HydrophobicContact CB-CD2 4.48Å; P239-Y546 HydrophobicContact CB-CE2 3.85Å; P239-Y546 HydrophobicContact CG-CD1 4.2Å; P239-Y546 HydrophobicContact CG-CD2 3.76Å; P239-Y546 HydrophobicContact CG-CE1 4.05Å; P239-Y546 HydrophobicContact CG-CE2 3.56Å; P239-Y546 HydrophobicContact CG-CG 4.07Å; T544-Y546 PolarHBondContact O-N 2.75Å; T544-Y546 PolarHBondContact OG1-N 3.32Å; T544-Y546 VanDerWaalsContact OG1-N 3.16Å; Y546-T548 VanDerWaalsContact C-N 3.28Å; Y546-T548 PolarHBondContact O-N 2.83Å
547	E	98	Very high	97.3	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.019	9%	0.091	C	C	.	.			trans	-74.9	79.6	167.5	-67.4	-151.3	-134.1	0	0	110.8	F373 G375 I376 D377 Y539 V541 Y542 H543 T544 V545	F373-E547 WeakPolarHBondContact CB-O 3.28Å; G375-E547 VanDerWaalsContact CA-O 3.29Å; G375-E547 WeakPolarHBondContact CA-O 3.21Å; G375-E547 PolarHBondContact N-O 2.67Å; I376-E547 WeakPolarHBondContact CB-OE2 3.39Å; I376-E547 PolarHBondContact N-OE2 3.25Å; D377-E547 PolarHBondContact N-OE2 3.14Å; D377-E547 VanDerWaalsContact N-OE2 3.13Å; Y539-E547 HydrophobicContact CE2-CG 4.35Å; Y539-E547 PolarHBondContact OH-OE1 3.04Å; Y539-E547 PolarHBondContact OH-OE2 3.2Å; V541-E547 HydrophobicContact CG2-CG 4.22Å; V541-E547 WeakPolarHBondContact O-CG 3.35Å; Y542-E547 VanDerWaalsContact CA-OE1 3.26Å; Y542-E547 WeakPolarHBondContact CA-OE1 3.3Å; H543-E547 PolarHBondContact N-OE1 3.05Å; T544-E547 PolarHBondContact O-N 2.74Å; V545-E547 VanDerWaalsContact C-N 3.31Å; V545-E547 PolarHBondContact O-N 2.99Å
548	T	98.7	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.			trans	-107.6	168.2	-177.1	63.6	0	0	0	0	112.4	P138 Y141 Y232 F373 Y546 E550 L551	P138-T548 HydrophobicContact CB-CG2 4.13Å; P138-T548 HydrophobicContact CG-CG2 3.83Å; Y141-T548 HydrophobicContact CD2-CG2 4.35Å; Y141-T548 HydrophobicContact CE2-CG2 3.82Å; Y232-T548 PolarHBondContact OH-OG1 3.44Å; F373-T548 HydrophobicContact CD2-CG2 4.34Å; Y546-T548 VanDerWaalsContact C-N 3.28Å; Y546-T548 PolarHBondContact O-N 2.83Å; T548-E550 VanDerWaalsContact C-N 3.3Å; T548-L551 WeakPolarHBondContact O-CB 3.46Å; T548-L551 PolarHBondContact O-N 2.89Å; T548-L551 PolarHBondContact OG1-N 2.87Å; T548-L551 VanDerWaalsContact OG1-N 3.14Å
549	F	98.8	Very high	98.4	Very high	4 Å²	4	23 Å²	23	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-44	167.9	172	-94.8	0	0	0	111.7	K61 L64 R65 T68 L551 V552 E553 F560	K61-F549 HydrophobicContact CG-CE2 4.19Å; K61-F549 HydrophobicContact CG-CZ 4.06Å; L64-F549 HydrophobicContact CB-CD2 4.35Å; L64-F549 HydrophobicContact CB-CE2 4.45Å; L64-F549 HydrophobicContact CD2-CD2 4.09Å; L64-F549 HydrophobicContact CD2-CE2 4.4Å; L64-F549 HydrophobicContact CG-CD2 3.94Å; L64-F549 HydrophobicContact CG-CE2 4.43Å; R65-F549 HydrophobicContact CB-CD2 3.81Å; R65-F549 HydrophobicContact CB-CE2 3.58Å; R65-F549 HydrophobicContact CB-CG 4.44Å; R65-F549 HydrophobicContact CB-CZ 4.01Å; R65-F549 HydrophobicContact CG-CD2 4.5Å; R65-F549 HydrophobicContact CG-CE2 4.38Å; R65-F549 HydrophobicContact CG-CZ 4.43Å; T68-F549 WeakPolarHBondContact OG1-CB 3.23Å; F549-L551 PolarHBondContact O-N 2.99Å; F549-V552 PolarHBondContact O-N 2.95Å; F549-E553 HydrophobicContact CD1-CB 4.32Å; F549-E553 HydrophobicContact CE1-CB 3.87Å; F549-E553 VanDerWaalsContact CE1-CD 3.45Å; F549-E553 HydrophobicContact CE1-CG 4.19Å; F549-E553 WeakPolarHBondContact CE1-OE2 3.31Å; F549-E553 HydrophobicContact CZ-CB 4.08Å; F549-E553 HydrophobicContact CZ-CG 4.32Å; F549-E553 PolarHBondContact O-N 2.83Å; F549-F560 HydrophobicContact CE2-CZ 4.11Å
550	E	98.7	Very high	98.5	Very high	32 Å²	32	23 Å²	23	15%	0.15	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-35.5	-177	-70.9	69.8	-154.9	0	0	111.6	R65 Y141 T548 V552 K554	R65-E550 IonicContact CZ-OE1 3.72Å; R65-E550 IonicContact NH1-OE1 3.92Å; R65-E550 PolarHBondContact NH1-OE1 2.82Å; R65-E550 IonicContact NH2-OE1 2.71Å; R65-E550 PolarHBondContact NH2-OE1 3.49Å; Y141-E550 WeakPolarHBondContact CE2-OE2 3.45Å; Y141-E550 PolarHBondContact OH-OE2 2.75Å; T548-E550 VanDerWaalsContact C-N 3.3Å; E550-V552 PolarHBondContact O-N 2.88Å; E550-K554 WeakPolarHBondContact O-CB 3.37Å; E550-K554 VanDerWaalsContact O-CG 3.26Å; E550-K554 WeakPolarHBondContact O-CG 3.5Å; E550-K554 PolarHBondContact O-N 3.31Å
551	L	98.7	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-55.9	-50.9	172.1	178	85.7	0	0	0	111.1	Y232 W236 I376 V541 T548 F549 F555 Y556	Y232-L551 HydrophobicContact CD2-CD1 3.84Å; Y232-L551 HydrophobicContact CE2-CB 4.06Å; Y232-L551 HydrophobicContact CE2-CD1 4.17Å; W236-L551 HydrophobicContact CB-CD1 4.06Å; I376-L551 HydrophobicContact CD1-CD2 3.82Å; I376-L551 HydrophobicContact CG1-CD2 4.27Å; V541-L551 HydrophobicContact CG2-CD1 3.98Å; V541-L551 HydrophobicContact CG2-CD2 3.38Å; V541-L551 HydrophobicContact CG2-CG 4.32Å; T548-L551 WeakPolarHBondContact O-CB 3.46Å; T548-L551 PolarHBondContact O-N 2.89Å; T548-L551 PolarHBondContact OG1-N 2.87Å; T548-L551 VanDerWaalsContact OG1-N 3.14Å; F549-L551 PolarHBondContact O-N 2.99Å; L551-F555 HydrophobicContact CD1-CD2 4.17Å; L551-F555 WeakPolarHBondContact O-CB 3.48Å; L551-F555 PolarHBondContact O-N 3.44Å; L551-Y556 HydrophobicContact CD1-CE2 4.02Å; L551-Y556 HydrophobicContact CD2-CD2 4.42Å; L551-Y556 HydrophobicContact CD2-CE2 3.92Å; L551-Y556 HydrophobicContact CG-CD2 4.04Å; L551-Y556 HydrophobicContact CG-CE2 3.74Å
552	V	98.8	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	I	π-helix	trans	-68.3	-48.3	-176.3	177.3	0	0	0	0	111.2	L64 G375 I376 T380 I446 F549 E550 K554 Y556 D557 F560	L64-V552 HydrophobicContact CD2-CB 4.13Å; L64-V552 HydrophobicContact CD2-CG1 3.86Å; G375-V552 WeakPolarHBondContact O-CG2 3.46Å; I376-V552 HydrophobicContact CD1-CG2 4.45Å; I376-V552 HydrophobicContact CG1-CG2 3.54Å; T380-V552 HydrophobicContact CG2-CG1 4.27Å; T380-V552 HydrophobicContact CG2-CG2 4.12Å; I446-V552 HydrophobicContact CG2-CG1 4.31Å; F549-V552 PolarHBondContact O-N 2.95Å; E550-V552 PolarHBondContact O-N 2.88Å; V552-K554 VanDerWaalsContact C-N 3.34Å; V552-K554 PolarHBondContact O-N 3.09Å; V552-Y556 PolarHBondContact O-N 3.07Å; V552-D557 PolarHBondContact O-N 3.17Å; V552-F560 HydrophobicContact CG1-CZ 4.42Å
553	E	98.6	Very high	98.5	Very high	52 Å²	52	29.1 Å²	29.1	24%	0.243	14%	0.139	C	C	.	.	I	π-helix	trans	-63	-38.4	-179.1	-177	-175.4	-125.3	0	0	111.9	K61 F549 P558 F560	K61-E553 WeakPolarHBondContact CE-OE1 3.48Å; K61-E553 IonicContact NZ-OE1 3.4Å; K61-E553 PolarHBondContact NZ-OE1 3.45Å; F549-E553 HydrophobicContact CD1-CB 4.32Å; F549-E553 HydrophobicContact CE1-CB 3.87Å; F549-E553 VanDerWaalsContact CE1-CD 3.45Å; F549-E553 HydrophobicContact CE1-CG 4.19Å; F549-E553 WeakPolarHBondContact CE1-OE2 3.31Å; F549-E553 HydrophobicContact CZ-CB 4.08Å; F549-E553 HydrophobicContact CZ-CG 4.32Å; F549-E553 PolarHBondContact O-N 2.83Å; E553-P558 WeakPolarHBondContact O-CA 3.08Å; E553-P558 VanDerWaalsContact O-CB 3.23Å; E553-P558 WeakPolarHBondContact O-CB 3.5Å; E553-P558 VanDerWaalsContact O-CG 3.3Å; E553-P558 WeakPolarHBondContact O-CG 3.29Å; E553-F560 HydrophobicContact CB-CE2 4.36Å; E553-F560 HydrophobicContact CG-CE2 4.37Å
554	K	98.2	Very high	98.5	Very high	119 Å²	119	30.5 Å²	30.5	52%	0.517	15%	0.147	S	C	.	.	I	π-helix	trans	-84.8	-42.4	-176.4	-67.6	178.2	178.9	-179.5	0	113.1	E550 V552	E550-K554 WeakPolarHBondContact O-CB 3.37Å; E550-K554 VanDerWaalsContact O-CG 3.26Å; E550-K554 WeakPolarHBondContact O-CG 3.5Å; E550-K554 PolarHBondContact O-N 3.31Å; V552-K554 VanDerWaalsContact C-N 3.34Å; V552-K554 PolarHBondContact O-N 3.09Å
555	F	98.5	Very high	98.5	Very high	51 Å²	51	30.7 Å²	30.7	22%	0.224	15%	0.148	C	C	.	.	I	π-helix	trans	-114.2	-27.9	-163.6	-54.6	-64	0	0	0	114.6	G235 W236 L551	G235-F555 WeakPolarHBondContact O-CE2 2.9Å; W236-F555 HydrophobicContact CB-CB 3.92Å; W236-F555 HydrophobicContact CB-CD2 4.11Å; W236-F555 HydrophobicContact CB-CG 4.03Å; W236-F555 HydrophobicContact CG-CB 4.2Å; W236-F555 HydrophobicContact CG-CG 4.49Å; L551-F555 HydrophobicContact CD1-CD2 4.17Å; L551-F555 WeakPolarHBondContact O-CB 3.48Å; L551-F555 PolarHBondContact O-N 3.44Å
556	Y	98.4	Very high	98.6	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.043	15%	0.148	C	C	.	.	I	π-helix	trans	-98.4	-52.3	-173.8	-75.8	-104.2	0	0	0	112.8	W236 I376 I446 N449 Y539 L551 V552	W236-Y556 HydrophobicContact CB-CE2 4.19Å; I376-Y556 HydrophobicContact CD1-CD1 4.03Å; I376-Y556 HydrophobicContact CD1-CD2 4.25Å; I376-Y556 HydrophobicContact CD1-CE1 3.69Å; I376-Y556 HydrophobicContact CD1-CE2 3.95Å; I376-Y556 HydrophobicContact CD1-CG 4.31Å; I446-Y556 HydrophobicContact CG1-CD1 4.15Å; N449-Y556 WeakPolarHBondContact CB-O 3.38Å; Y539-Y556 WeakPolarHBondContact CB-OH 3.49Å; L551-Y556 HydrophobicContact CD1-CE2 4.02Å; L551-Y556 HydrophobicContact CD2-CD2 4.42Å; L551-Y556 HydrophobicContact CD2-CE2 3.92Å; L551-Y556 HydrophobicContact CG-CD2 4.04Å; L551-Y556 HydrophobicContact CG-CE2 3.74Å; V552-Y556 PolarHBondContact O-N 3.07Å
557	D	98.6	Very high	98.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.145	C	C	.	.			trans	-151.4	74.3	-177.8	-170	14.3	0	0	0	112.9	V552 T559 F560 R561 K562 Q563	V552-D557 PolarHBondContact O-N 3.17Å; D557-T559 PolarHBondContact O-N 3.41Å; D557-T559 VanDerWaalsContact O-N 3.12Å; D557-F560 VanDerWaalsContact O-CD2 3.24Å; D557-F560 WeakPolarHBondContact O-CD2 3.41Å; D557-F560 PolarHBondContact O-N 3.28Å; D557-F560 WeakPolarHBondContact OD1-CA 3.46Å; D557-F560 PolarHBondContact OD1-N 2.9Å; D557-F560 VanDerWaalsContact OD1-N 3.16Å; D557-F560 WeakPolarHBondContact OD2-CA 3.34Å; D557-R561 PolarHBondContact OD1-N 3.36Å; D557-R561 PolarHBondContact OD2-N 3.01Å; D557-K562 WeakPolarHBondContact OD2-CA 3.02Å; D557-K562 WeakPolarHBondContact OD2-CB 3.32Å; D557-K562 PolarHBondContact OD2-N 2.93Å; D557-Q563 PolarHBondContact OD2-N 2.96Å
558	P	98.4	Very high	98.6	Very high	74 Å²	74	31.6 Å²	31.6	48%	0.481	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.9	-177.2	-23.5	32.1	0	0	0	115.2	E553	E553-P558 WeakPolarHBondContact O-CA 3.08Å; E553-P558 VanDerWaalsContact O-CB 3.23Å; E553-P558 WeakPolarHBondContact O-CB 3.5Å; E553-P558 VanDerWaalsContact O-CG 3.3Å; E553-P558 WeakPolarHBondContact O-CG 3.29Å
559	T	97.9	Very high	98.6	Very high	87 Å²	87	31.6 Å²	31.6	53%	0.534	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-7.8	179.4	67.1	0	0	0	0	113.2	D557 R561	D557-T559 PolarHBondContact O-N 3.41Å; D557-T559 VanDerWaalsContact O-N 3.12Å; T559-R561 PolarHBondContact O-N 3.29Å; T559-R561 WeakPolarHBondContact OG1-CB 3.45Å; T559-R561 WeakPolarHBondContact OG1-CG 3.27Å; T559-R561 PolarHBondContact OG1-N 2.8Å
560	F	98.7	Very high	98.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	15%	0.152	C	C	.	.			trans	55.2	15.7	-172.4	-75.5	-105.3	0	0	0	114	A57 I60 K61 L64 F549 V552 E553 D557 Q563 L564	A57-F560 HydrophobicContact CB-CB 3.83Å; I60-F560 HydrophobicContact CG2-CD1 4.2Å; K61-F560 HydrophobicContact CB-CD1 3.8Å; K61-F560 HydrophobicContact CB-CD2 3.89Å; K61-F560 HydrophobicContact CB-CE1 3.83Å; K61-F560 HydrophobicContact CB-CE2 3.93Å; K61-F560 HydrophobicContact CB-CG 3.83Å; K61-F560 HydrophobicContact CB-CZ 3.9Å; K61-F560 HydrophobicContact CD-CD2 3.91Å; K61-F560 HydrophobicContact CD-CE2 3.78Å; K61-F560 HydrophobicContact CD-CZ 4.4Å; K61-F560 HydrophobicContact CG-CD2 3.97Å; K61-F560 HydrophobicContact CG-CE1 4.18Å; K61-F560 HydrophobicContact CG-CE2 3.61Å; K61-F560 HydrophobicContact CG-CG 4.42Å; K61-F560 HydrophobicContact CG-CZ 3.73Å; L64-F560 HydrophobicContact CB-CE1 4.46Å; L64-F560 HydrophobicContact CD2-CE1 3.72Å; L64-F560 HydrophobicContact CD2-CZ 3.99Å; F549-F560 HydrophobicContact CE2-CZ 4.11Å; V552-F560 HydrophobicContact CG1-CZ 4.42Å; E553-F560 HydrophobicContact CB-CE2 4.36Å; E553-F560 HydrophobicContact CG-CE2 4.37Å; D557-F560 VanDerWaalsContact O-CD2 3.24Å; D557-F560 WeakPolarHBondContact O-CD2 3.41Å; D557-F560 PolarHBondContact O-N 3.28Å; D557-F560 WeakPolarHBondContact OD1-CA 3.46Å; D557-F560 PolarHBondContact OD1-N 2.9Å; D557-F560 VanDerWaalsContact OD1-N 3.16Å; D557-F560 WeakPolarHBondContact OD2-CA 3.34Å; F560-Q563 VanDerWaalsContact CE1-NE2 3.27Å; F560-L564 WeakPolarHBondContact O-CB 3.49Å; F560-L564 PolarHBondContact O-N 3.27Å
561	R	98.3	Very high	98.6	Very high	124 Å²	124	30 Å²	30	47%	0.468	15%	0.145	S	C	.	.	H	α-helix	trans	-72.1	-35.8	-178	-73.6	-178.7	68.6	-177.8	-1.6	111.6	P474 D557 T559 L564 T565	P474-R561 HydrophobicContact CB-CB 3.99Å; D557-R561 PolarHBondContact OD1-N 3.36Å; D557-R561 PolarHBondContact OD2-N 3.01Å; T559-R561 PolarHBondContact O-N 3.29Å; T559-R561 WeakPolarHBondContact OG1-CB 3.45Å; T559-R561 WeakPolarHBondContact OG1-CG 3.27Å; T559-R561 PolarHBondContact OG1-N 2.8Å; R561-L564 PolarHBondContact O-N 2.78Å; R561-T565 PolarHBondContact O-N 2.86Å; R561-T565 PolarHBondContact O-OG1 2.91Å; R561-T565 VanDerWaalsContact O-OG1 3.13Å
562	K	98.7	Very high	98.6	Very high	31 Å²	31	30.7 Å²	30.7	14%	0.135	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-43.5	177.9	-63.9	179.1	173.9	67.6	0	110.3	I446 N449 P474 Y527 D557 T565 I566	I446-K562 HydrophobicContact CD1-CB 4.46Å; I446-K562 HydrophobicContact CD1-CD 4.36Å; N449-K562 HydrophobicContact CB-CD 4.03Å; N449-K562 WeakPolarHBondContact O-CE 3.11Å; P474-K562 HydrophobicContact CB-CG 4.17Å; P474-K562 HydrophobicContact CG-CB 4.46Å; P474-K562 HydrophobicContact CG-CG 3.98Å; Y527-K562 HydrophobicContact CD1-CB 4.31Å; Y527-K562 HydrophobicContact CD1-CD 3.77Å; Y527-K562 HydrophobicContact CD1-CG 4.22Å; Y527-K562 HydrophobicContact CD2-CB 3.97Å; Y527-K562 HydrophobicContact CE1-CB 4.43Å; Y527-K562 HydrophobicContact CE1-CD 3.85Å; Y527-K562 HydrophobicContact CE1-CG 4.02Å; Y527-K562 HydrophobicContact CE2-CB 4.13Å; Y527-K562 HydrophobicContact CE2-CG 4.42Å; Y527-K562 HydrophobicContact CG-CB 4.08Å; Y527-K562 HydrophobicContact CG-CD 4.32Å; Y527-K562 HydrophobicContact CG-CG 4.49Å; D557-K562 WeakPolarHBondContact OD2-CA 3.02Å; D557-K562 WeakPolarHBondContact OD2-CB 3.32Å; D557-K562 PolarHBondContact OD2-N 2.93Å; K562-T565 WeakPolarHBondContact O-CB 3.24Å; K562-T565 PolarHBondContact O-N 2.89Å; K562-I566 WeakPolarHBondContact O-CG1 3.41Å; K562-I566 PolarHBondContact O-N 3.12Å
563	Q	98.8	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-39.6	173.8	-67.5	176.8	74.7	0	0	112.2	I60 V384 I446 D557 F560 I566 A567	I60-Q563 HydrophobicContact CG2-CB 4.23Å; V384-Q563 HydrophobicContact CG2-CB 4.5Å; I446-Q563 HydrophobicContact CB-CG 4.16Å; I446-Q563 HydrophobicContact CG2-CG 3.97Å; D557-Q563 PolarHBondContact OD2-N 2.96Å; F560-Q563 VanDerWaalsContact CE1-NE2 3.27Å; Q563-I566 PolarHBondContact O-N 3.21Å; Q563-A567 PolarHBondContact O-N 2.94Å
564	L	98.9	Very high	98.6	Very high	31 Å²	31	28.4 Å²	28.4	16%	0.162	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-44.8	171.8	174.7	61.4	0	0	0	112	M55 A57 I60 F560 R561 I566 A567 Q568	M55-L564 HydrophobicContact CB-CD1 3.71Å; M55-L564 WeakPolarHBondContact O-CD1 3.46Å; A57-L564 HydrophobicContact CB-CB 4.16Å; A57-L564 HydrophobicContact CB-CD2 4.14Å; I60-L564 HydrophobicContact CD1-CB 4.23Å; I60-L564 HydrophobicContact CD1-CD1 4.27Å; F560-L564 WeakPolarHBondContact O-CB 3.49Å; F560-L564 PolarHBondContact O-N 3.27Å; R561-L564 PolarHBondContact O-N 2.78Å; L564-I566 VanDerWaalsContact C-N 3.28Å; L564-I566 PolarHBondContact O-N 3.02Å; L564-A567 WeakPolarHBondContact O-CB 3.49Å; L564-A567 PolarHBondContact O-N 3.25Å; L564-A567 VanDerWaalsContact O-N 3.12Å; L564-Q568 HydrophobicContact CD1-CG 4.31Å; L564-Q568 WeakPolarHBondContact O-CG 3.31Å; L564-Q568 PolarHBondContact O-N 3.49Å
565	T	98.8	Very high	98.6	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-38.9	175.4	-68.9	0	0	0	0	111.9	I471 P474 L483 Y527 R561 K562 Q568 L569	I471-T565 HydrophobicContact CG2-CG2 3.96Å; P474-T565 WeakPolarHBondContact CB-OG1 3.27Å; P474-T565 WeakPolarHBondContact CD-OG1 3.17Å; P474-T565 HydrophobicContact CG-CG2 4.06Å; P474-T565 VanDerWaalsContact CG-OG1 3.31Å; P474-T565 WeakPolarHBondContact CG-OG1 3.23Å; L483-T565 HydrophobicContact CD1-CG2 4.04Å; L483-T565 HydrophobicContact CD2-CG2 3.51Å; L483-T565 HydrophobicContact CG-CG2 4.33Å; Y527-T565 HydrophobicContact CE2-CG2 4.36Å; R561-T565 PolarHBondContact O-N 2.86Å; R561-T565 PolarHBondContact O-OG1 2.91Å; R561-T565 VanDerWaalsContact O-OG1 3.13Å; K562-T565 WeakPolarHBondContact O-CB 3.24Å; K562-T565 PolarHBondContact O-N 2.89Å; T565-Q568 PolarHBondContact O-N 2.64Å; T565-L569 PolarHBondContact O-N 3.4Å
566	I	98.8	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-40.7	173.6	-66.4	-58.6	0	0	0	111.7	L452 V525 Y527 K562 Q563 L564 Q568 L569 R570	L452-I566 HydrophobicContact CD1-CD1 3.48Å; L452-I566 VanDerWaalsContact CD1-CD1 3.48Å; V525-I566 HydrophobicContact CG2-CG2 4.4Å; Y527-I566 HydrophobicContact CD2-CD1 3.82Å; Y527-I566 HydrophobicContact CD2-CG1 3.82Å; Y527-I566 HydrophobicContact CE2-CD1 4.39Å; K562-I566 WeakPolarHBondContact O-CG1 3.41Å; K562-I566 PolarHBondContact O-N 3.12Å; Q563-I566 PolarHBondContact O-N 3.21Å; L564-I566 VanDerWaalsContact C-N 3.28Å; L564-I566 PolarHBondContact O-N 3.02Å; I566-Q568 VanDerWaalsContact C-N 3.34Å; I566-Q568 PolarHBondContact O-N 3.38Å; I566-L569 PolarHBondContact O-N 3.05Å; I566-R570 HydrophobicContact CG2-CG 4.2Å; I566-R570 VanDerWaalsContact CG2-NE 3.3Å; I566-R570 WeakPolarHBondContact O-CB 3.34Å; I566-R570 WeakPolarHBondContact O-CG 3.13Å; I566-R570 PolarHBondContact O-N 2.97Å
567	A	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-45.5	174.3	0	0	0	0	0	111.7	M55 I60 V384 I388 Q563 L564 G571	M55-A567 HydrophobicContact SD-CB 4.04Å; I60-A567 HydrophobicContact CD1-CB 3.88Å; V384-A567 HydrophobicContact CB-CB 4.49Å; V384-A567 HydrophobicContact CG1-CB 3.74Å; V384-A567 HydrophobicContact CG2-CB 4.33Å; I388-A567 HydrophobicContact CG1-CB 4.28Å; Q563-A567 PolarHBondContact O-N 2.94Å; L564-A567 WeakPolarHBondContact O-CB 3.49Å; L564-A567 PolarHBondContact O-N 3.25Å; L564-A567 VanDerWaalsContact O-N 3.12Å; A567-G571 PolarHBondContact O-N 2.87Å
568	Q	98.8	Very high	98.6	Very high	39 Å²	39	20.6 Å²	20.6	18%	0.182	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-46.1	176.5	-71.9	175.1	-23	0	0	111.7	M52 M55 I471 L564 T565 I566 G571 K572	M52-Q568 PolarHBondContact O-NE2 3.29Å; M52-Q568 HydrophobicContact SD-CB 3.65Å; M52-Q568 HydrophobicContact SD-CG 3.88Å; M52-Q568 VanDerWaalsContact SD-O 3.39Å; M55-Q568 HydrophobicContact SD-CG 4.12Å; I471-Q568 HydrophobicContact CD1-CB 4.47Å; L564-Q568 HydrophobicContact CD1-CG 4.31Å; L564-Q568 WeakPolarHBondContact O-CG 3.31Å; L564-Q568 PolarHBondContact O-N 3.49Å; T565-Q568 PolarHBondContact O-N 2.64Å; I566-Q568 VanDerWaalsContact C-N 3.34Å; I566-Q568 PolarHBondContact O-N 3.38Å; Q568-G571 PolarHBondContact O-N 3.16Å; Q568-K572 WeakPolarHBondContact O-CB 3.4Å; Q568-K572 WeakPolarHBondContact O-CG 3.29Å; Q568-K572 PolarHBondContact O-N 3.13Å
569	L	98.8	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-46.3	179.3	-178.3	58.4	0	0	0	112.3	L452 L467 T468 I471 L483 V525 T565 I566 G571 K572 L573	L452-L569 HydrophobicContact CD1-CD2 3.96Å; L452-L569 HydrophobicContact CD2-CD2 3.81Å; L467-L569 HydrophobicContact CB-CD1 4.09Å; T468-L569 HydrophobicContact CG2-CD1 3.85Å; T468-L569 HydrophobicContact CG2-CD2 3.94Å; I471-L569 HydrophobicContact CD1-CB 3.87Å; I471-L569 HydrophobicContact CD1-CD1 3.96Å; I471-L569 HydrophobicContact CD1-CG 4.5Å; L483-L569 HydrophobicContact CD2-CD2 4.37Å; V525-L569 HydrophobicContact CB-CD2 3.98Å; V525-L569 HydrophobicContact CG1-CD2 3.91Å; V525-L569 HydrophobicContact CG1-CG 4.39Å; V525-L569 HydrophobicContact CG2-CD2 4.1Å; V525-L569 HydrophobicContact CG2-CG 4.24Å; T565-L569 PolarHBondContact O-N 3.4Å; I566-L569 PolarHBondContact O-N 3.05Å; L569-G571 VanDerWaalsContact C-N 3.33Å; L569-G571 PolarHBondContact O-N 2.74Å; L569-K572 PolarHBondContact O-N 3.06Å; L569-L573 HydrophobicContact CD1-CD1 4.47Å; L569-L573 HydrophobicContact CD1-CG 4.48Å; L569-L573 HydrophobicContact CG-CD1 4.32Å; L569-L573 WeakPolarHBondContact O-CB 3.29Å; L569-L573 WeakPolarHBondContact O-CG 3.14Å; L569-L573 PolarHBondContact O-N 2.91Å
570	R	98.8	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-60.2	-44.5	175.2	-71.2	177	-176.5	178.1	-0.3	110.8	I388 T442 D443 S444 V525 I566 L573 V574	I388-R570 HydrophobicContact CD1-CB 3.66Å; T442-R570 VanDerWaalsContact CA-NH1 3.32Å; T442-R570 PolarHBondContact O-NH1 3.34Å; T442-R570 PolarHBondContact OG1-NH1 2.91Å; D443-R570 PolarHBondContact O-NH1 3.35Å; D443-R570 PolarHBondContact O-NH2 2.78Å; S444-R570 PolarHBondContact O-NH2 3.42Å; V525-R570 HydrophobicContact CG2-CG 3.36Å; V525-R570 PolarHBondContact O-NE 3.46Å; V525-R570 PolarHBondContact O-NH2 3.42Å; I566-R570 HydrophobicContact CG2-CG 4.2Å; I566-R570 VanDerWaalsContact CG2-NE 3.3Å; I566-R570 WeakPolarHBondContact O-CB 3.34Å; I566-R570 WeakPolarHBondContact O-CG 3.13Å; I566-R570 PolarHBondContact O-N 2.97Å; R570-L573 PolarHBondContact O-N 2.78Å; R570-V574 WeakPolarHBondContact O-CG2 3.21Å; R570-V574 PolarHBondContact O-N 2.91Å; R570-V574 VanDerWaalsContact O-N 3.1Å
571	G	98.7	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.7	-44.7	177.1	0	0	0	0	0	113.4	A567 Q568 L569 V574 Y575	A567-G571 PolarHBondContact O-N 2.87Å; Q568-G571 PolarHBondContact O-N 3.16Å; L569-G571 VanDerWaalsContact C-N 3.33Å; L569-G571 PolarHBondContact O-N 2.74Å; G571-V574 PolarHBondContact O-N 3.13Å; G571-Y575 VanDerWaalsContact O-CB 3.32Å; G571-Y575 WeakPolarHBondContact O-CB 3.43Å; G571-Y575 PolarHBondContact O-N 3.17Å
572	K	98.3	Very high	98.2	Very high	15 Å²	15	15 Å²	15	7%	0.065	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-44	174.6	-76.2	-158.8	-179	-176.3	0	111.6	M52 L467 E470 I471 Q568 L569 V574 Y575 E576	M52-K572 HydrophobicContact CE-CG 3.9Å; M52-K572 HydrophobicContact CG-CD 4.45Å; M52-K572 HydrophobicContact CG-CG 4.01Å; M52-K572 HydrophobicContact SD-CD 4.19Å; M52-K572 HydrophobicContact SD-CG 3.36Å; M52-K572 WeakPolarHBondContact SD-CG 3.48Å; L467-K572 HydrophobicContact CB-CB 4.49Å; L467-K572 HydrophobicContact CB-CD 4.35Å; L467-K572 HydrophobicContact CD1-CB 3.88Å; L467-K572 HydrophobicContact CD2-CB 4.06Å; L467-K572 HydrophobicContact CD2-CD 3.96Å; L467-K572 HydrophobicContact CG-CB 4.35Å; E470-K572 PolarHBondContact O-NZ 2.64Å; E470-K572 IonicContact OE2-NZ 2.88Å; E470-K572 PolarHBondContact OE2-NZ 2.72Å; I471-K572 HydrophobicContact CD1-CD 4.12Å; I471-K572 HydrophobicContact CG1-CD 4.13Å; Q568-K572 WeakPolarHBondContact O-CB 3.4Å; Q568-K572 WeakPolarHBondContact O-CG 3.29Å; Q568-K572 PolarHBondContact O-N 3.13Å; L569-K572 PolarHBondContact O-N 3.06Å; K572-V574 VanDerWaalsContact C-N 3.34Å; K572-V574 PolarHBondContact O-N 2.97Å; K572-Y575 PolarHBondContact O-N 3.22Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 3Å
573	L	98.8	Very high	98.2	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-56.4	-50.7	176.9	-78.1	165.7	0	0	0	111	L463 V464 L467 V525 L569 R570 Y575 E576 L577	L463-L573 HydrophobicContact CD2-CD2 3.74Å; L463-L573 HydrophobicContact CG-CD2 3.89Å; V464-L573 HydrophobicContact CG2-CD2 3.92Å; L467-L573 HydrophobicContact CD1-CD2 3.81Å; L467-L573 HydrophobicContact CD1-CG 3.99Å; V525-L573 HydrophobicContact CG1-CD1 4.1Å; L569-L573 HydrophobicContact CD1-CD1 4.47Å; L569-L573 HydrophobicContact CD1-CG 4.48Å; L569-L573 HydrophobicContact CG-CD1 4.32Å; L569-L573 WeakPolarHBondContact O-CB 3.29Å; L569-L573 WeakPolarHBondContact O-CG 3.14Å; L569-L573 PolarHBondContact O-N 2.91Å; R570-L573 PolarHBondContact O-N 2.78Å; L573-Y575 PolarHBondContact O-N 2.78Å; L573-E576 PolarHBondContact O-N 3.2Å; L573-L577 WeakPolarHBondContact O-CB 3.43Å; L573-L577 VanDerWaalsContact O-CD1 3.3Å; L573-L577 WeakPolarHBondContact O-CD1 3.16Å; L573-L577 WeakPolarHBondContact O-CG 3.16Å; L573-L577 PolarHBondContact O-N 3.19Å; L573-L577 VanDerWaalsContact O-N 3.11Å
574	V	98.8	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.9	-44.1	178.4	171.9	0	0	0	0	111.3	I362 L364 F392 I406 I440 R570 G571 K572 L577 A578	I362-V574 HydrophobicContact CG2-CB 4.37Å; I362-V574 HydrophobicContact CG2-CG1 3.98Å; I362-V574 HydrophobicContact CG2-CG2 4.35Å; L364-V574 HydrophobicContact CB-CG2 3.92Å; L364-V574 HydrophobicContact CD1-CG2 3.95Å; L364-V574 HydrophobicContact CD2-CG2 4.24Å; L364-V574 HydrophobicContact CG-CG2 4.25Å; F392-V574 HydrophobicContact CE2-CB 4.39Å; F392-V574 HydrophobicContact CE2-CG1 4.06Å; F392-V574 HydrophobicContact CZ-CB 4.22Å; F392-V574 HydrophobicContact CZ-CG1 3.86Å; I406-V574 HydrophobicContact CD1-CG1 3.88Å; I406-V574 HydrophobicContact CG1-CG1 4.22Å; I406-V574 HydrophobicContact CG2-CG1 3.73Å; I440-V574 HydrophobicContact CB-CG2 4.35Å; I440-V574 HydrophobicContact CG1-CG2 4.2Å; R570-V574 WeakPolarHBondContact O-CG2 3.21Å; R570-V574 PolarHBondContact O-N 2.91Å; R570-V574 VanDerWaalsContact O-N 3.1Å; G571-V574 PolarHBondContact O-N 3.13Å; K572-V574 VanDerWaalsContact C-N 3.34Å; K572-V574 PolarHBondContact O-N 2.97Å; V574-L577 PolarHBondContact O-N 3.38Å; V574-A578 WeakPolarHBondContact O-CB 3.03Å; V574-A578 PolarHBondContact O-N 2.86Å
575	Y	98.6	Very high	98.1	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-51	178.8	178.2	-92.6	0	0	0	112.1	Y44 V47 R48 L51 F392 W400 G571 K572 L573 L577 A578 D579	Y44-Y575 HydrophobicContact CD1-CE1 4.45Å; Y44-Y575 HydrophobicContact CD2-CE1 4.11Å; Y44-Y575 VanDerWaalsContact CD2-OH 3.3Å; Y44-Y575 WeakPolarHBondContact CD2-OH 3.09Å; Y44-Y575 AromaticContact CE1-CE1 3.9Å; Y44-Y575 HydrophobicContact CE1-CE1 3.9Å; Y44-Y575 HydrophobicContact CE2-CD1 4.49Å; Y44-Y575 AromaticContact CE2-CE1 3.52Å; Y44-Y575 HydrophobicContact CE2-CE1 3.52Å; Y44-Y575 AromaticContact CE2-CZ 3.79Å; Y44-Y575 AromaticContact CZ-CE1 3.4Å; Y44-Y575 VanDerWaalsContact CZ-CE1 3.4Å; Y44-Y575 PolarHBondContact O-OH 2.91Å; V47-Y575 HydrophobicContact CB-CE2 4.47Å; V47-Y575 HydrophobicContact CG1-CE2 3.86Å; R48-Y575 HydrophobicContact CB-CD1 4.06Å; R48-Y575 HydrophobicContact CB-CE1 3.52Å; R48-Y575 HydrophobicContact CG-CD1 3.75Å; R48-Y575 HydrophobicContact CG-CE1 3.71Å; L51-Y575 HydrophobicContact CD2-CD2 3.97Å; L51-Y575 HydrophobicContact CD2-CG 4.22Å; F392-Y575 HydrophobicContact CE1-CD2 4.22Å; W400-Y575 HydrophobicContact CH2-CD2 4.44Å; W400-Y575 AromaticContact CZ2-CD2 3.93Å; W400-Y575 HydrophobicContact CZ2-CD2 3.93Å; W400-Y575 AromaticContact CZ2-CE2 3.78Å; W400-Y575 HydrophobicContact CZ2-CE2 3.78Å; G571-Y575 VanDerWaalsContact O-CB 3.32Å; G571-Y575 WeakPolarHBondContact O-CB 3.43Å; G571-Y575 PolarHBondContact O-N 3.17Å; K572-Y575 PolarHBondContact O-N 3.22Å; L573-Y575 PolarHBondContact O-N 2.78Å; Y575-L577 VanDerWaalsContact C-N 3.33Å; Y575-L577 PolarHBondContact O-N 3.31Å; Y575-A578 PolarHBondContact O-N 3.28Å; Y575-D579 HydrophobicContact CE2-CB 4.26Å; Y575-D579 WeakPolarHBondContact O-CB 3.25Å; Y575-D579 PolarHBondContact O-N 3.3Å
576	E	98.3	Very high	98.1	Very high	17 Å²	17	14.2 Å²	14.2	8%	0.079	7%	0.069	C	C	.	.	H	α-helix	trans	-62.1	-41.3	-179.2	-67.7	-59.8	142.3	0	0	111.8	Y44 R48 L463 L467 K572 L573 A578 S580 P584	Y44-E576 PolarHBondContact OH-OE1 2.9Å; Y44-E576 PolarHBondContact OH-OE2 3.24Å; R48-E576 WeakPolarHBondContact CD-OE1 3.32Å; R48-E576 IonicContact CZ-OE1 3.54Å; R48-E576 IonicContact NE-OE1 2.82Å; R48-E576 IonicContact NH1-OE1 3.83Å; R48-E576 PolarHBondContact NH1-OE1 2.69Å; L463-E576 HydrophobicContact CD1-CB 3.81Å; L463-E576 HydrophobicContact CD1-CG 3.96Å; L467-E576 HydrophobicContact CD1-CG 4.08Å; L467-E576 HydrophobicContact CD2-CG 3.57Å; L467-E576 HydrophobicContact CG-CG 4.35Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 3Å; L573-E576 PolarHBondContact O-N 3.2Å; E576-A578 VanDerWaalsContact C-N 3.35Å; E576-S580 WeakPolarHBondContact O-CB 3.48Å; E576-S580 PolarHBondContact O-N 3.26Å; E576-S580 PolarHBondContact O-OG 2.88Å; E576-S580 PolarHBondContact OE2-OG 3.43Å; E576-P584 HydrophobicContact CB-CG 4.34Å
577	L	98.7	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-37.3	177.3	-68.6	164	0	0	0	111.9	I362 R404 A438 I440 L460 L463 L573 V574 Y575 P584 F585	I362-L577 HydrophobicContact CG1-CB 3.75Å; I362-L577 HydrophobicContact CG2-CB 4.15Å; R404-L577 PolarHBondContact NH1-O 3.14Å; A438-L577 HydrophobicContact CB-CD1 3.83Å; A438-L577 HydrophobicContact CB-CD2 4.43Å; I440-L577 HydrophobicContact CD1-CD1 4.09Å; I440-L577 HydrophobicContact CG1-CD1 4.29Å; L460-L577 HydrophobicContact CD2-CD1 4.34Å; L460-L577 HydrophobicContact CD2-CD2 4.21Å; L463-L577 HydrophobicContact CD2-CD1 4.5Å; L463-L577 HydrophobicContact CD2-CD2 4.1Å; L463-L577 HydrophobicContact CD2-CG 4.05Å; L573-L577 WeakPolarHBondContact O-CB 3.43Å; L573-L577 VanDerWaalsContact O-CD1 3.3Å; L573-L577 WeakPolarHBondContact O-CD1 3.16Å; L573-L577 WeakPolarHBondContact O-CG 3.16Å; L573-L577 PolarHBondContact O-N 3.19Å; L573-L577 VanDerWaalsContact O-N 3.11Å; V574-L577 PolarHBondContact O-N 3.38Å; Y575-L577 VanDerWaalsContact C-N 3.33Å; Y575-L577 PolarHBondContact O-N 3.31Å; L577-P584 HydrophobicContact CD2-CG 4.02Å; L577-F585 HydrophobicContact CD2-CD1 4.31Å; L577-F585 HydrophobicContact CD2-CE1 3.51Å; L577-F585 HydrophobicContact CD2-CZ 3.92Å
578	A	98.5	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-81.7	-27.2	-176.5	0	0	0	0	0	113.5	I362 P402 K403 R404 I406 V574 Y575 E576	I362-A578 HydrophobicContact CB-CB 4.49Å; I362-A578 HydrophobicContact CD1-CB 4.18Å; I362-A578 HydrophobicContact CG1-CB 4.11Å; P402-A578 HydrophobicContact CB-CB 4.07Å; K403-A578 WeakPolarHBondContact CB-O 3.31Å; K403-A578 PolarHBondContact N-O 2.84Å; R404-A578 WeakPolarHBondContact CB-O 3.36Å; R404-A578 PolarHBondContact N-O 2.93Å; I406-A578 HydrophobicContact CD1-CB 3.74Å; I406-A578 HydrophobicContact CG1-CB 3.62Å; V574-A578 WeakPolarHBondContact O-CB 3.03Å; V574-A578 PolarHBondContact O-N 2.86Å; Y575-A578 PolarHBondContact O-N 3.28Å; E576-A578 VanDerWaalsContact C-N 3.35Å
579	D	97.4	Very high	98	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-124	-6.4	-167.4	-149.9	56.4	0	0	0	114.7	Y44 W400 P402 K403 Y575	Y44-D579 VanDerWaalsContact CD2-OD2 3.26Å; Y44-D579 WeakPolarHBondContact CD2-OD2 3.5Å; Y44-D579 HydrophobicContact CE2-CB 3.82Å; Y44-D579 WeakPolarHBondContact CE2-O 3.34Å; Y44-D579 WeakPolarHBondContact CE2-OD2 3.47Å; W400-D579 HydrophobicContact CZ2-CB 4.47Å; P402-D579 WeakPolarHBondContact CA-OD1 3.46Å; K403-D579 WeakPolarHBondContact CD-O 3.41Å; K403-D579 WeakPolarHBondContact CE-O 3.18Å; K403-D579 WeakPolarHBondContact CG-OD1 3.4Å; K403-D579 PolarHBondContact N-OD1 3.23Å; K403-D579 PolarHBondContact NZ-O 2.99Å; K403-D579 IonicContact NZ-OD1 3.99Å; K403-D579 IonicContact NZ-OD2 2.75Å; Y575-D579 HydrophobicContact CE2-CB 4.26Å; Y575-D579 WeakPolarHBondContact O-CB 3.25Å; Y575-D579 PolarHBondContact O-N 3.3Å
580	S	96.2	Very high	97.9	Very high	18 Å²	18	18.7 Å²	18.7	13%	0.126	9%	0.087	C	C	.	.			trans	-70.3	139.7	169.2	-62.1	0	0	0	0	111.5	Y44 R404 E576 I582	Y44-S580 PolarHBondContact OH-OG 3.47Å; R404-S580 PolarHBondContact NH1-O 3.22Å; R404-S580 PolarHBondContact NH2-O 3.29Å; E576-S580 WeakPolarHBondContact O-CB 3.48Å; E576-S580 PolarHBondContact O-N 3.26Å; E576-S580 PolarHBondContact O-OG 2.88Å; E576-S580 PolarHBondContact OE2-OG 3.43Å; S580-I582 WeakPolarHBondContact CB-O 3.22Å
581	Y	94.1	Very high	97.9	Very high	105 Å²	105	18.7 Å²	18.7	41%	0.412	9%	0.088	S	C	.	.	S	Bend	trans	-61.8	-53.2	175	-82.2	-82.6	0	0	0	111.4	M356 K403 R404 N655	M356-Y581 HydrophobicContact CE-CE1 4.01Å; M356-Y581 HydrophobicContact SD-CE1 4.23Å; K403-Y581 HydrophobicContact CD-CD1 4.24Å; K403-Y581 HydrophobicContact CD-CE1 4.31Å; K403-Y581 HydrophobicContact CD-CG 4.38Å; R404-Y581 PolarHBondContact NH2-O 3.48Å; R404-Y581 VanDerWaalsContact NH2-O 3.09Å; Y581-N655 PolarHBondContact O-ND2 3.45Å
582	I	97.1	Very high	97.8	Very high	36 Å²	36	24.3 Å²	24.3	19%	0.185	11%	0.114	C	C	.	.	S	Bend	trans	-92.7	136.1	169.2	-61.1	-65.3	0	0	0	108.6	S580 L640 M645 V651 N655 L658	S580-I582 WeakPolarHBondContact CB-O 3.22Å; I582-L640 HydrophobicContact CD1-CD1 4.02Å; I582-L640 HydrophobicContact CG2-CD1 3.85Å; I582-L640 HydrophobicContact CG2-CD2 4.03Å; I582-L640 HydrophobicContact CG2-CG 4.27Å; I582-M645 HydrophobicContact CD1-CE 4.21Å; I582-M645 HydrophobicContact CD1-SD 4.07Å; I582-M645 HydrophobicContact CG1-CE 3.7Å; I582-M645 HydrophobicContact CG1-SD 3.9Å; I582-V651 HydrophobicContact CD1-CG1 3.88Å; I582-V651 HydrophobicContact CD1-CG2 4.43Å; I582-N655 WeakPolarHBondContact CA-OD1 3.24Å; I582-L658 HydrophobicContact CG2-CD1 3.84Å
583	L	98.3	Very high	97.7	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.116	C	C	.	.			trans	-58.4	128.6	174.9	-72	176.3	0	0	0	110	V437 F585 N655 L658 M659	V437-L583 HydrophobicContact CG1-CD1 4.01Å; V437-L583 HydrophobicContact CG1-CD2 3.41Å; V437-L583 VanDerWaalsContact CG1-CD2 3.41Å; V437-L583 HydrophobicContact CG1-CG 4.36Å; V437-L583 HydrophobicContact CG2-CD2 4.32Å; L583-F585 HydrophobicContact CB-CD2 4.16Å; L583-F585 HydrophobicContact CD1-CD2 4.34Å; L583-F585 HydrophobicContact CD1-CE2 4.16Å; L583-F585 PolarHBondContact O-N 3.23Å; L583-N655 HydrophobicContact CD1-CB 4.24Å; L583-N655 WeakPolarHBondContact CD1-O 3.1Å; L583-N655 HydrophobicContact CG-CB 4.33Å; L583-N655 PolarHBondContact N-OD1 3.1Å; L583-L658 HydrophobicContact CB-CB 4.26Å; L583-L658 HydrophobicContact CB-CD1 3.96Å; L583-L658 HydrophobicContact CD1-CB 4.23Å; L583-L658 WeakPolarHBondContact O-CD1 3.29Å; L583-M659 HydrophobicContact CD1-CB 4Å
584	P	97.8	Very high	97.6	Very high	35 Å²	35	24 Å²	24	23%	0.227	12%	0.115	C	C	.	.			trans	-79	48.9	-176	34	-38.7	0	0	0	112.4	L463 E576 L577	L463-P584 HydrophobicContact CD1-CB 4Å; L463-P584 HydrophobicContact CD1-CG 4.07Å; L463-P584 HydrophobicContact CD2-CB 4.41Å; L463-P584 HydrophobicContact CD2-CG 3.84Å; L463-P584 HydrophobicContact CG-CG 4.47Å; E576-P584 HydrophobicContact CB-CG 4.34Å; L577-P584 HydrophobicContact CD2-CG 4.02Å
585	F	98.6	Very high	97.6	Very high	6 Å²	6	29 Å²	29	3%	0.026	14%	0.137	C	C	.	.			trans	-99.5	143.8	175.4	-66.6	-27.2	0	0	0	111.3	V437 A438 L459 L460 A521 L577 L583 L658	V437-F585 HydrophobicContact CG1-CE2 4.16Å; V437-F585 HydrophobicContact CG1-CZ 3.98Å; A438-F585 HydrophobicContact CB-CZ 4.32Å; L459-F585 HydrophobicContact CB-CB 4.19Å; L459-F585 HydrophobicContact CB-CD1 3.99Å; L459-F585 HydrophobicContact CB-CG 4.09Å; L459-F585 WeakPolarHBondContact O-CA 3.1Å; L460-F585 HydrophobicContact CD2-CD1 4.11Å; L460-F585 HydrophobicContact CD2-CE1 3.65Å; L460-F585 HydrophobicContact CG-CE1 4.21Å; A521-F585 HydrophobicContact CB-CE1 4.36Å; A521-F585 HydrophobicContact CB-CE2 4.41Å; A521-F585 HydrophobicContact CB-CZ 3.88Å; L577-F585 HydrophobicContact CD2-CD1 4.31Å; L577-F585 HydrophobicContact CD2-CE1 3.51Å; L577-F585 HydrophobicContact CD2-CZ 3.92Å; L583-F585 HydrophobicContact CB-CD2 4.16Å; L583-F585 HydrophobicContact CD1-CD2 4.34Å; L583-F585 HydrophobicContact CD1-CE2 4.16Å; L583-F585 PolarHBondContact O-N 3.23Å; F585-L658 HydrophobicContact CB-CD2 4.1Å; F585-L658 HydrophobicContact CD2-CB 4.2Å; F585-L658 WeakPolarHBondContact CD2-O 3.36Å
586	D	98.2	Very high	97.4	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.145	C	C	.	.			trans	-121.4	101	175.7	-155.2	-40.5	0	0	0	111.3	L459 K462 R588 D589 H637	L459-D586 PolarHBondContact O-N 2.81Å; K462-D586 HydrophobicContact CB-CB 4.38Å; K462-D586 HydrophobicContact CD-CB 4.22Å; K462-D586 VanDerWaalsContact CD-OD2 3.28Å; K462-D586 WeakPolarHBondContact CD-OD2 3.4Å; K462-D586 IonicContact NZ-OD2 2.89Å; K462-D586 PolarHBondContact NZ-OD2 2.88Å; D586-R588 PolarHBondContact O-N 2.64Å; D586-R588 VanDerWaalsContact OD1-CB 3.24Å; D586-R588 WeakPolarHBondContact OD1-CB 3.29Å; D586-R588 IonicContact OD1-CZ 3.49Å; D586-R588 PolarHBondContact OD1-N 3.2Å; D586-R588 VanDerWaalsContact OD1-N 3.09Å; D586-R588 IonicContact OD1-NE 3.92Å; D586-R588 PolarHBondContact OD1-NE 3.22Å; D586-R588 IonicContact OD1-NH2 3.52Å; D586-R588 IonicContact OD2-CZ 3.94Å; D586-R588 IonicContact OD2-NE 3.09Å; D586-R588 PolarHBondContact OD2-NE 2.93Å; D586-R588 IonicContact OD2-NH2 3.75Å; D586-R588 PolarHBondContact OD2-NH2 3.43Å; D586-D589 PolarHBondContact O-N 3.43Å; D586-H637 IonicContact OD1-CE1 2.85Å; D586-H637 IonicContact OD1-NE2 2.82Å
587	C	98.1	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.5	-21.8	178	-55.8	0	0	0	0	113.1	D589 Y590 G591 A633 H637 L736	C587-D589 VanDerWaalsContact C-N 3.34Å; C587-Y590 WeakPolarHBondContact O-CB 3.29Å; C587-Y590 PolarHBondContact O-N 2.82Å; C587-G591 PolarHBondContact O-N 2.95Å; C587-A633 HydrophobicContact CB-CB 3.85Å; C587-H637 PolarHBondContact N-NE2 3.24Å; C587-L736 HydrophobicContact CB-CD1 4.09Å
588	R	98.4	Very high	97.3	Very high	86 Å²	86	29.3 Å²	29.3	33%	0.325	14%	0.143	S	C	.	.	H	α-helix	trans	-68.9	-36.4	179.6	-58.9	171.1	-69.7	-155.6	-9.2	111.1	D586 Y590 G591 E592 A633 H637	D586-R588 PolarHBondContact O-N 2.64Å; D586-R588 VanDerWaalsContact OD1-CB 3.24Å; D586-R588 WeakPolarHBondContact OD1-CB 3.29Å; D586-R588 IonicContact OD1-CZ 3.49Å; D586-R588 PolarHBondContact OD1-N 3.2Å; D586-R588 VanDerWaalsContact OD1-N 3.09Å; D586-R588 IonicContact OD1-NE 3.92Å; D586-R588 PolarHBondContact OD1-NE 3.22Å; D586-R588 IonicContact OD1-NH2 3.52Å; D586-R588 IonicContact OD2-CZ 3.94Å; D586-R588 IonicContact OD2-NE 3.09Å; D586-R588 PolarHBondContact OD2-NE 2.93Å; D586-R588 IonicContact OD2-NH2 3.75Å; D586-R588 PolarHBondContact OD2-NH2 3.43Å; R588-Y590 PolarHBondContact O-N 2.99Å; R588-G591 WeakPolarHBondContact O-CA 3.13Å; R588-G591 PolarHBondContact O-N 3.28Å; R588-E592 PolarHBondContact O-N 2.98Å; R588-A633 HydrophobicContact CG-CB 4.5Å; R588-H637 PolarHBondContact NH2-ND1 2.97Å
589	D	97.3	Very high	97.2	Very high	47 Å²	47	33.3 Å²	33.3	25%	0.251	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-35.6	174.6	-70.6	-20.7	0	0	0	110.9	P458 Y461 D586 C587 E592 A593	P458-D589 HydrophobicContact CB-CB 4.43Å; P458-D589 WeakPolarHBondContact O-CB 3.35Å; Y461-D589 HydrophobicContact CD2-CB 4.3Å; D586-D589 PolarHBondContact O-N 3.43Å; C587-D589 VanDerWaalsContact C-N 3.34Å; D589-E592 PolarHBondContact O-N 3Å; D589-A593 WeakPolarHBondContact O-CB 3.31Å; D589-A593 PolarHBondContact O-N 3Å
590	Y	97.8	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-40.4	173.7	-139.6	-58.8	0	0	0	112.2	P458 L459 C587 R588 E592 A593 L594 F629 E662 F665 H679 I681 F682	P458-Y590 HydrophobicContact CB-CD2 3.86Å; P458-Y590 HydrophobicContact CB-CE2 4.5Å; P458-Y590 HydrophobicContact CB-CG 3.92Å; P458-Y590 HydrophobicContact CG-CD1 4.38Å; P458-Y590 HydrophobicContact CG-CD2 4.11Å; P458-Y590 HydrophobicContact CG-CE2 4.32Å; P458-Y590 HydrophobicContact CG-CG 4.14Å; L459-Y590 HydrophobicContact CD2-CD2 3.81Å; L459-Y590 HydrophobicContact CG-CD2 3.82Å; L459-Y590 HydrophobicContact CG-CE2 4.21Å; C587-Y590 WeakPolarHBondContact O-CB 3.29Å; C587-Y590 PolarHBondContact O-N 2.82Å; R588-Y590 PolarHBondContact O-N 2.99Å; Y590-E592 PolarHBondContact O-N 2.92Å; Y590-A593 PolarHBondContact O-N 3.25Å; Y590-L594 HydrophobicContact CD1-CD1 3.86Å; Y590-L594 HydrophobicContact CD1-CD2 4.46Å; Y590-L594 HydrophobicContact CD1-CG 3.84Å; Y590-L594 HydrophobicContact CE1-CD1 4.34Å; Y590-L594 HydrophobicContact CE1-CD2 4.29Å; Y590-L594 HydrophobicContact CE1-CG 4.17Å; Y590-L594 WeakPolarHBondContact O-CB 3.35Å; Y590-L594 WeakPolarHBondContact O-CG 3.44Å; Y590-L594 PolarHBondContact O-N 2.87Å; Y590-F629 HydrophobicContact CG-CZ 4.42Å; Y590-E662 WeakPolarHBondContact CE2-OE1 3.36Å; Y590-E662 PolarHBondContact OH-OE1 3.12Å; Y590-F665 AromaticContact CD1-CE2 3.98Å; Y590-F665 HydrophobicContact CD1-CE2 3.98Å; Y590-F665 AromaticContact CD1-CZ 3.93Å; Y590-F665 HydrophobicContact CD1-CZ 3.93Å; Y590-F665 HydrophobicContact CD2-CE2 4.17Å; Y590-F665 HydrophobicContact CE1-CD2 4.09Å; Y590-F665 HydrophobicContact CE1-CE1 4.39Å; Y590-F665 AromaticContact CE1-CE2 3.43Å; Y590-F665 HydrophobicContact CE1-CE2 3.43Å; Y590-F665 VanDerWaalsContact CE1-CE2 3.43Å; Y590-F665 AromaticContact CE1-CZ 3.6Å; Y590-F665 HydrophobicContact CE1-CZ 3.6Å; Y590-F665 HydrophobicContact CE2-CD2 4.15Å; Y590-F665 AromaticContact CE2-CE2 3.64Å; Y590-F665 HydrophobicContact CE2-CE2 3.64Å; Y590-F665 HydrophobicContact CG-CE2 4.33Å; Y590-F665 AromaticContact CZ-CD2 3.58Å; Y590-F665 AromaticContact CZ-CE2 3.21Å; Y590-F665 AromaticContact CZ-CZ 3.91Å; Y590-F665 WeakPolarHBondContact OH-CD2 3.45Å; Y590-F665 WeakPolarHBondContact OH-CE2 3.42Å; Y590-H679 PolarHBondContact OH-CE1 3.22Å; Y590-I681 HydrophobicContact CE1-CG1 4.42Å; Y590-I681 HydrophobicContact CE1-CG2 4.3Å; Y590-F682 HydrophobicContact CE1-CE2 4.36Å; Y590-F682 AromaticContact CZ-CE2 3.89Å; Y590-F682 VanDerWaalsContact OH-CE2 3.31Å; Y590-F682 WeakPolarHBondContact OH-CE2 3.34Å
591	G	97.8	Very high	97	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-44.6	175.2	0	0	0	0	0	112.6	C587 R588 L594 K595	C587-G591 PolarHBondContact O-N 2.95Å; R588-G591 WeakPolarHBondContact O-CA 3.13Å; R588-G591 PolarHBondContact O-N 3.28Å; G591-L594 PolarHBondContact O-N 2.75Å; G591-K595 PolarHBondContact O-N 3.05Å; G591-K595 VanDerWaalsContact O-N 3.13Å
592	E	96.4	Very high	97.2	Very high	118 Å²	118	35.6 Å²	35.6	55%	0.551	17%	0.17	S	C	*	.	H	α-helix	trans	-66.7	-40.1	175.1	-69.2	-55.6	141.7	0	0	112.1	R588 D589 Y590 L594 K595 G596	R588-E592 PolarHBondContact O-N 2.98Å; D589-E592 PolarHBondContact O-N 3Å; Y590-E592 PolarHBondContact O-N 2.92Å; E592-L594 PolarHBondContact O-N 2.95Å; E592-K595 WeakPolarHBondContact O-CB 3.42Å; E592-K595 PolarHBondContact O-N 3.4Å; E592-G596 PolarHBondContact O-N 3.27Å
593	A	96.1	Very high	97.1	Very high	14 Å²	14	41.7 Å²	41.7	12%	0.116	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-46.3	175.4	0	0	0	0	0	112	P458 D589 Y590 K595 G596 Y597	P458-A593 HydrophobicContact CB-CB 4.12Å; P458-A593 HydrophobicContact CG-CB 3.63Å; D589-A593 WeakPolarHBondContact O-CB 3.31Å; D589-A593 PolarHBondContact O-N 3Å; Y590-A593 PolarHBondContact O-N 3.25Å; A593-K595 VanDerWaalsContact C-N 3.32Å; A593-K595 PolarHBondContact O-N 2.97Å; A593-G596 CarbonylContact O-C 3.57Å; A593-G596 WeakPolarHBondContact O-CA 3.42Å; A593-G596 PolarHBondContact O-N 3.48Å; A593-G596 VanDerWaalsContact O-N 3.1Å; A593-Y597 HydrophobicContact CB-CD2 4.49Å; A593-Y597 HydrophobicContact CB-CE2 3.76Å; A593-Y597 WeakPolarHBondContact O-CD2 3.49Å; A593-Y597 PolarHBondContact O-N 2.98Å
594	L	98.3	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-38.5	177.3	-74.7	168.9	0	0	0	112.4	Y590 G591 E592 Y597 S598 V626 F629 F665 I681 F695 V729	Y590-L594 HydrophobicContact CD1-CD1 3.86Å; Y590-L594 HydrophobicContact CD1-CD2 4.46Å; Y590-L594 HydrophobicContact CD1-CG 3.84Å; Y590-L594 HydrophobicContact CE1-CD1 4.34Å; Y590-L594 HydrophobicContact CE1-CD2 4.29Å; Y590-L594 HydrophobicContact CE1-CG 4.17Å; Y590-L594 WeakPolarHBondContact O-CB 3.35Å; Y590-L594 WeakPolarHBondContact O-CG 3.44Å; Y590-L594 PolarHBondContact O-N 2.87Å; G591-L594 PolarHBondContact O-N 2.75Å; E592-L594 PolarHBondContact O-N 2.95Å; L594-Y597 PolarHBondContact O-N 3.27Å; L594-S598 WeakPolarHBondContact O-CB 3.47Å; L594-S598 PolarHBondContact O-N 3.15Å; L594-S598 PolarHBondContact O-OG 3.15Å; L594-V626 HydrophobicContact CB-CG1 4.02Å; L594-V626 HydrophobicContact CB-CG2 4.3Å; L594-F629 HydrophobicContact CD1-CB 4.48Å; L594-F629 HydrophobicContact CD1-CD1 3.72Å; L594-F629 HydrophobicContact CD1-CD2 4.28Å; L594-F629 HydrophobicContact CD1-CE1 3.99Å; L594-F629 HydrophobicContact CD1-CE2 4.5Å; L594-F629 HydrophobicContact CD1-CG 3.88Å; L594-F629 HydrophobicContact CD1-CZ 4.37Å; L594-F665 HydrophobicContact CD1-CE1 4.48Å; L594-F665 HydrophobicContact CD1-CZ 4.34Å; L594-I681 HydrophobicContact CD2-CD1 3.67Å; L594-I681 HydrophobicContact CD2-CG1 4.09Å; L594-I681 HydrophobicContact CD2-CG2 3.85Å; L594-F695 HydrophobicContact CD2-CE1 4.5Å; L594-F695 HydrophobicContact CD2-CZ 3.91Å; L594-V729 HydrophobicContact CD1-CG1 4.1Å; L594-V729 HydrophobicContact CD2-CG2 4.08Å
595	K	97.3	Very high	96.8	Very high	104 Å²	104	42.2 Å²	42.2	45%	0.452	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-45.3	172.3	-171.4	-176.5	-179.5	-176.8	0	111.2	G591 E592 A593 Y597 S598 N599 V626	G591-K595 PolarHBondContact O-N 3.05Å; G591-K595 VanDerWaalsContact O-N 3.13Å; E592-K595 WeakPolarHBondContact O-CB 3.42Å; E592-K595 PolarHBondContact O-N 3.4Å; A593-K595 VanDerWaalsContact C-N 3.32Å; A593-K595 PolarHBondContact O-N 2.97Å; K595-Y597 PolarHBondContact O-N 2.98Å; K595-S598 PolarHBondContact O-OG 2.98Å; K595-S598 VanDerWaalsContact O-OG 3.08Å; K595-N599 WeakPolarHBondContact O-CB 3.45Å; K595-N599 VanDerWaalsContact O-CG 3.25Å; K595-N599 PolarHBondContact O-N 3.13Å; K595-N599 VanDerWaalsContact O-N 3.15Å; K595-N599 PolarHBondContact O-ND2 3.11Å; K595-N599 VanDerWaalsContact O-ND2 3.1Å; K595-V626 HydrophobicContact CB-CG1 4.2Å
596	G	95.6	Very high	96.6	Very high	17 Å²	17	47 Å²	47	18%	0.175	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-41.5	174.6	0	0	0	0	0	113.3	E592 A593 R600	E592-G596 PolarHBondContact O-N 3.27Å; A593-G596 CarbonylContact O-C 3.57Å; A593-G596 WeakPolarHBondContact O-CA 3.42Å; A593-G596 PolarHBondContact O-N 3.48Å; A593-G596 VanDerWaalsContact O-N 3.1Å; G596-R600 WeakPolarHBondContact O-CG 3.15Å; G596-R600 PolarHBondContact O-N 2.71Å; G596-R600 PolarHBondContact O-NE 2.85Å
597	Y	96.4	Very high	96.4	Very high	8 Å²	8	54.2 Å²	54.2	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-45.1	179.4	-57.9	-32.3	0	0	0	112.6	K504 A593 L594 K595 N599 R600 I601 I681 F682 F695	K504-Y597 HydrophobicContact CD-CE1 3.89Å; A593-Y597 HydrophobicContact CB-CD2 4.49Å; A593-Y597 HydrophobicContact CB-CE2 3.76Å; A593-Y597 WeakPolarHBondContact O-CD2 3.49Å; A593-Y597 PolarHBondContact O-N 2.98Å; L594-Y597 PolarHBondContact O-N 3.27Å; K595-Y597 PolarHBondContact O-N 2.98Å; Y597-N599 VanDerWaalsContact C-N 3.34Å; Y597-N599 PolarHBondContact O-N 2.91Å; Y597-R600 PolarHBondContact O-N 3.34Å; Y597-R600 VanDerWaalsContact O-N 3.17Å; Y597-I601 PolarHBondContact O-N 3.4Å; Y597-I681 HydrophobicContact CD2-CG2 3.94Å; Y597-I681 HydrophobicContact CE2-CG2 4.16Å; Y597-F682 HydrophobicContact CD2-CE1 4.38Å; Y597-F682 AromaticContact CE2-CE1 3.46Å; Y597-F682 HydrophobicContact CE2-CE1 3.46Å; Y597-F682 VanDerWaalsContact CE2-CE1 3.46Å; Y597-F682 AromaticContact CE2-CZ 3.5Å; Y597-F682 HydrophobicContact CE2-CZ 3.5Å; Y597-F682 VanDerWaalsContact CE2-CZ 3.5Å; Y597-F682 AromaticContact CZ-CE1 3.61Å; Y597-F682 AromaticContact CZ-CZ 3.89Å; Y597-F682 WeakPolarHBondContact OH-CE1 3.12Å; Y597-F695 VanDerWaalsContact CB-CE2 3.48Å
598	S	97.2	Very high	96.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-39.9	-179.6	53.9	0	0	0	0	111.4	L594 K595 I601 Y602	L594-S598 WeakPolarHBondContact O-CB 3.47Å; L594-S598 PolarHBondContact O-N 3.15Å; L594-S598 PolarHBondContact O-OG 3.15Å; K595-S598 PolarHBondContact O-OG 2.98Å; K595-S598 VanDerWaalsContact O-OG 3.08Å; S598-I601 VanDerWaalsContact O-CG2 3.3Å; S598-I601 WeakPolarHBondContact O-CG2 3.38Å; S598-Y602 VanDerWaalsContact O-CB 3.28Å; S598-Y602 WeakPolarHBondContact O-CB 3.07Å; S598-Y602 PolarHBondContact O-N 3.16Å
599	N	96.3	Very high	96.2	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-40.6	173.4	-74	-28	0	0	0	112.6	K595 Y597 K603	K595-N599 WeakPolarHBondContact O-CB 3.45Å; K595-N599 VanDerWaalsContact O-CG 3.25Å; K595-N599 PolarHBondContact O-N 3.13Å; K595-N599 VanDerWaalsContact O-N 3.15Å; K595-N599 PolarHBondContact O-ND2 3.11Å; K595-N599 VanDerWaalsContact O-ND2 3.1Å; Y597-N599 VanDerWaalsContact C-N 3.34Å; Y597-N599 PolarHBondContact O-N 2.91Å; N599-K603 WeakPolarHBondContact O-CB 3.16Å; N599-K603 PolarHBondContact O-N 2.86Å
600	R	94.9	Very high	96.1	Very high	96 Å²	96	59 Å²	59	36%	0.362	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-48.1	178	-83	-174.5	-78.5	-141.2	-17.4	112.6	E495 G596 Y597 Y602 K603 L604	E495-R600 IonicContact OE1-CZ 2.76Å; E495-R600 IonicContact OE1-NH1 3.59Å; E495-R600 PolarHBondContact OE1-NH1 3.31Å; E495-R600 IonicContact OE1-NH2 3.43Å; E495-R600 PolarHBondContact OE1-NH2 3.11Å; E495-R600 IonicContact OE2-NH2 3.67Å; G596-R600 WeakPolarHBondContact O-CG 3.15Å; G596-R600 PolarHBondContact O-N 2.71Å; G596-R600 PolarHBondContact O-NE 2.85Å; Y597-R600 PolarHBondContact O-N 3.34Å; Y597-R600 VanDerWaalsContact O-N 3.17Å; R600-Y602 VanDerWaalsContact C-N 3.31Å; R600-Y602 PolarHBondContact O-N 3.11Å; R600-K603 PolarHBondContact O-N 2.88Å; R600-L604 PolarHBondContact O-N 2.78Å
601	I	95.9	Very high	96.1	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-36.3	-179.1	-165.4	66.5	0	0	0	111.1	Y597 S598 L604 A605 F619 L622 F695 I698 Y699 M702	Y597-I601 PolarHBondContact O-N 3.4Å; S598-I601 VanDerWaalsContact O-CG2 3.3Å; S598-I601 WeakPolarHBondContact O-CG2 3.38Å; I601-L604 HydrophobicContact CD1-CD2 4.24Å; I601-L604 WeakPolarHBondContact O-CB 3.3Å; I601-L604 PolarHBondContact O-N 3.06Å; I601-A605 PolarHBondContact O-N 3.4Å; I601-F619 HydrophobicContact CG2-CE1 4.09Å; I601-L622 HydrophobicContact CG2-CD2 4.47Å; I601-F695 HydrophobicContact CG2-CD2 4.06Å; I601-I698 HydrophobicContact CD1-CB 4.32Å; I601-I698 HydrophobicContact CD1-CG2 4.17Å; I601-I698 HydrophobicContact CG1-CB 3.98Å; I601-I698 HydrophobicContact CG1-CG2 3.65Å; I601-Y699 HydrophobicContact CD1-CD2 4.38Å; I601-M702 HydrophobicContact CD1-CE 3.4Å; I601-M702 HydrophobicContact CG1-CE 3.81Å
602	Y	97.1	Very high	96	Very high	79 Å²	79	62.8 Å²	62.8	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-66.5	-40.3	173.1	179.3	-125	0	0	0	112.5	S598 R600 L604 A605 K606 F619 F623	S598-Y602 VanDerWaalsContact O-CB 3.28Å; S598-Y602 WeakPolarHBondContact O-CB 3.07Å; S598-Y602 PolarHBondContact O-N 3.16Å; R600-Y602 VanDerWaalsContact C-N 3.31Å; R600-Y602 PolarHBondContact O-N 3.11Å; Y602-L604 PolarHBondContact O-N 2.86Å; Y602-A605 WeakPolarHBondContact O-CB 3.35Å; Y602-A605 PolarHBondContact O-N 2.92Å; Y602-A605 VanDerWaalsContact O-N 3.15Å; Y602-K606 HydrophobicContact CE1-CD 4.23Å; Y602-K606 HydrophobicContact CE1-CG 4.29Å; Y602-K606 HydrophobicContact CE2-CG 4.16Å; Y602-K606 PolarHBondContact O-N 3.13Å; Y602-K606 WeakPolarHBondContact OH-CE 3.27Å; Y602-F619 HydrophobicContact CD2-CB 4.1Å; Y602-F619 HydrophobicContact CD2-CD1 4.36Å; Y602-F619 AromaticContact CD2-CD2 3.69Å; Y602-F619 HydrophobicContact CD2-CD2 3.69Å; Y602-F619 HydrophobicContact CD2-CE2 4.19Å; Y602-F619 AromaticContact CD2-CG 3.79Å; Y602-F619 HydrophobicContact CD2-CG 3.79Å; Y602-F619 HydrophobicContact CE2-CD2 4.18Å; Y602-F619 HydrophobicContact CE2-CG 4.49Å; Y602-F623 HydrophobicContact CD1-CE2 4.16Å; Y602-F623 AromaticContact CD1-CZ 3.72Å; Y602-F623 HydrophobicContact CD1-CZ 3.72Å; Y602-F623 HydrophobicContact CD2-CE2 4.44Å; Y602-F623 HydrophobicContact CD2-CZ 4.39Å; Y602-F623 HydrophobicContact CE1-CE2 4.44Å; Y602-F623 HydrophobicContact CE1-CZ 4.4Å; Y602-F623 HydrophobicContact CG-CE2 4.13Å; Y602-F623 AromaticContact CG-CZ 3.69Å; Y602-F623 HydrophobicContact CG-CZ 3.69Å
603	K	96.3	Very high	96.1	Very high	163 Å²	163	62.8 Å²	62.8	71%	0.709	29%	0.288	S	S	*	.	H	α-helix	trans	-60.8	-35.1	173.6	-175.8	177.1	179.5	178.4	0	111.9	N599 R600	N599-K603 WeakPolarHBondContact O-CB 3.16Å; N599-K603 PolarHBondContact O-N 2.86Å; R600-K603 PolarHBondContact O-N 2.88Å
604	L	93.6	Very high	96.1	Very high	50 Å²	50	66.8 Å²	66.8	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-65.8	-48	172.3	-178.9	62	0	0	0	111	R600 I601 Y602 K606 K607 Y699 M702	R600-L604 PolarHBondContact O-N 2.78Å; I601-L604 HydrophobicContact CD1-CD2 4.24Å; I601-L604 WeakPolarHBondContact O-CB 3.3Å; I601-L604 PolarHBondContact O-N 3.06Å; Y602-L604 PolarHBondContact O-N 2.86Å; L604-K606 VanDerWaalsContact C-N 3.27Å; L604-K606 PolarHBondContact O-N 2.78Å; L604-K607 HydrophobicContact CD1-CD 4.22Å; L604-K607 WeakPolarHBondContact O-CB 3.19Å; L604-K607 WeakPolarHBondContact O-CG 3.37Å; L604-K607 PolarHBondContact O-N 3.16Å; L604-Y699 HydrophobicContact CD2-CD2 3.85Å; L604-Y699 HydrophobicContact CD2-CE2 3.96Å; L604-M702 HydrophobicContact CB-CE 4.32Å; L604-M702 HydrophobicContact CD2-CE 3.84Å; L604-M702 HydrophobicContact CG-CE 4.05Å
605	A	95	Very high	96.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-35.2	178.2	0	0	0	0	0	112.9	I601 Y602 K607 H608 L612 F619 M702	I601-A605 PolarHBondContact O-N 3.4Å; Y602-A605 WeakPolarHBondContact O-CB 3.35Å; Y602-A605 PolarHBondContact O-N 2.92Å; Y602-A605 VanDerWaalsContact O-N 3.15Å; A605-K607 PolarHBondContact O-N 3.24Å; A605-H608 PolarHBondContact O-N 3.17Å; A605-L612 HydrophobicContact CB-CD1 4.14Å; A605-L612 HydrophobicContact CB-CD2 4.38Å; A605-L612 WeakPolarHBondContact O-CD1 3.29Å; A605-F619 HydrophobicContact CB-CE2 3.6Å; A605-F619 HydrophobicContact CB-CZ 3.6Å; A605-M702 HydrophobicContact CB-CE 4.35Å; A605-M702 HydrophobicContact CB-SD 3.63Å
606	K	95	Very high	96.1	Very high	106 Å²	106	73.3 Å²	73.3	46%	0.461	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59.5	-16.3	177.6	-85.2	-154.5	172.9	-161.7	0	114.8	Y602 L604 H608 E609	Y602-K606 HydrophobicContact CE1-CD 4.23Å; Y602-K606 HydrophobicContact CE1-CG 4.29Å; Y602-K606 HydrophobicContact CE2-CG 4.16Å; Y602-K606 PolarHBondContact O-N 3.13Å; Y602-K606 WeakPolarHBondContact OH-CE 3.27Å; L604-K606 VanDerWaalsContact C-N 3.27Å; L604-K606 PolarHBondContact O-N 2.78Å; K606-H608 PolarHBondContact O-N 3.45Å; K606-E609 PolarHBondContact O-N 3.27Å
607	K	94.8	Very high	96.2	Very high	159 Å²	159	73.2 Å²	73.2	69%	0.691	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-63.4	-18.8	170.6	-64	-177.2	-178.2	179.9	0	112.8	L604 A605	L604-K607 HydrophobicContact CD1-CD 4.22Å; L604-K607 WeakPolarHBondContact O-CB 3.19Å; L604-K607 WeakPolarHBondContact O-CG 3.37Å; L604-K607 PolarHBondContact O-N 3.16Å; A605-K607 PolarHBondContact O-N 3.24Å
608	H	95.8	Very high	96.3	Very high	22 Å²	22	75.3 Å²	75.3	10%	0.102	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-118.9	42.4	-178.8	-49.2	-74.7	0	0	0	111.2	A605 K606 E610 Q611 L612 E706 W715	A605-H608 PolarHBondContact O-N 3.17Å; K606-H608 PolarHBondContact O-N 3.45Å; H608-E610 VanDerWaalsContact C-N 3.31Å; H608-E610 PolarHBondContact O-N 3.2Å; H608-Q611 VanDerWaalsContact C-OE1 3.25Å; H608-Q611 HydrophobicContact CB-CB 4.26Å; H608-Q611 PolarHBondContact O-N 3.43Å; H608-Q611 VanDerWaalsContact O-N 3.09Å; H608-Q611 PolarHBondContact O-OE1 3.33Å; H608-L612 WeakPolarHBondContact O-CG 3.25Å; H608-L612 PolarHBondContact O-N 2.85Å; H608-E706 IonicContact CE1-OE1 3.99Å; H608-E706 PolarHBondContact CE1-OE1 2.79Å; H608-E706 IonicContact ND1-OE1 3.06Å; H608-E706 PolarHBondContact ND1-OE1 3.37Å; H608-W715 HydrophobicContact CB-CH2 3.62Å; H608-W715 HydrophobicContact CB-CZ2 3.85Å
609	E	94.9	Very high	96.4	Very high	98 Å²	98	75.5 Å²	75.5	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-54.5	-42.7	-171	-170.8	-178.8	154.6	0	0	113.6	K606 Q611 L612 K613	K606-E609 PolarHBondContact O-N 3.27Å; E609-Q611 VanDerWaalsContact C-N 3.34Å; E609-Q611 PolarHBondContact O-N 3.37Å; E609-L612 PolarHBondContact O-N 3.17Å; E609-K613 PolarHBondContact O-N 2.84Å; E609-K613 VanDerWaalsContact O-N 3.16Å; E609-K613 WeakPolarHBondContact OE1-CE 3.35Å; E609-K613 IonicContact OE1-NZ 3.66Å; E609-K613 PolarHBondContact OE1-NZ 2.8Å
610	E	96.4	Very high	96.5	Very high	114 Å²	114	76.9 Å²	76.9	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-67.5	-36	-179.9	-66.3	-54.7	117.1	0	0	112	H608 K613 T614	H608-E610 VanDerWaalsContact C-N 3.31Å; H608-E610 PolarHBondContact O-N 3.2Å; E610-K613 PolarHBondContact O-N 3.24Å; E610-K613 IonicContact OE1-NZ 3.99Å; E610-K613 PolarHBondContact OE1-NZ 3.24Å; E610-T614 WeakPolarHBondContact O-CB 3.3Å; E610-T614 PolarHBondContact O-N 2.68Å; E610-T614 PolarHBondContact O-OG1 2.89Å
611	Q	96.9	Very high	96.6	Very high	66 Å²	66	75.6 Å²	75.6	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-69.3	-39.4	174.7	-64.9	79.2	1.1	0	0	111.2	H608 E609 K613 T614 Y615 W715	H608-Q611 VanDerWaalsContact C-OE1 3.25Å; H608-Q611 HydrophobicContact CB-CB 4.26Å; H608-Q611 PolarHBondContact O-N 3.43Å; H608-Q611 VanDerWaalsContact O-N 3.09Å; H608-Q611 PolarHBondContact O-OE1 3.33Å; E609-Q611 VanDerWaalsContact C-N 3.34Å; E609-Q611 PolarHBondContact O-N 3.37Å; Q611-K613 VanDerWaalsContact C-N 3.27Å; Q611-K613 PolarHBondContact O-N 2.78Å; Q611-T614 PolarHBondContact O-N 3.35Å; Q611-Y615 HydrophobicContact CB-CD2 4.14Å; Q611-Y615 HydrophobicContact CB-CE2 4.31Å; Q611-Y615 VanDerWaalsContact O-CD2 3.25Å; Q611-Y615 WeakPolarHBondContact O-CD2 3.39Å; Q611-Y615 PolarHBondContact O-N 2.92Å; Q611-W715 HydrophobicContact CB-CH2 4.14Å; Q611-W715 HydrophobicContact CB-CZ2 3.41Å; Q611-W715 VanDerWaalsContact CB-CZ2 3.41Å; Q611-W715 HydrophobicContact CG-CZ2 4.04Å
612	L	96.6	Very high	96.8	Very high	15 Å²	15	75.3 Å²	75.3	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-57.6	-42.2	174.4	-63.9	177.8	0	0	0	111.3	A605 H608 E609 K616 V617 W715	A605-L612 HydrophobicContact CB-CD1 4.14Å; A605-L612 HydrophobicContact CB-CD2 4.38Å; A605-L612 WeakPolarHBondContact O-CD1 3.29Å; H608-L612 WeakPolarHBondContact O-CG 3.25Å; H608-L612 PolarHBondContact O-N 2.85Å; E609-L612 PolarHBondContact O-N 3.17Å; L612-K616 WeakPolarHBondContact O-CA 3.48Å; L612-K616 PolarHBondContact O-N 2.9Å; L612-V617 HydrophobicContact CB-CB 4.48Å; L612-V617 HydrophobicContact CD2-CB 3.71Å; L612-V617 HydrophobicContact CD2-CG1 3.86Å; L612-V617 HydrophobicContact CD2-CG2 4.24Å; L612-V617 PolarHBondContact O-N 3.37Å; L612-W715 HydrophobicContact CD2-CE3 4.36Å; L612-W715 HydrophobicContact CD2-CH2 4.14Å; L612-W715 HydrophobicContact CD2-CZ3 3.58Å
613	K	96.9	Very high	96.8	Very high	117 Å²	117	73.8 Å²	73.8	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-48.6	174.5	-66.7	170.7	-168.9	156.6	0	111.5	E609 E610 Q611 Y615 K616	E609-K613 PolarHBondContact O-N 2.84Å; E609-K613 VanDerWaalsContact O-N 3.16Å; E609-K613 WeakPolarHBondContact OE1-CE 3.35Å; E609-K613 IonicContact OE1-NZ 3.66Å; E609-K613 PolarHBondContact OE1-NZ 2.8Å; E610-K613 PolarHBondContact O-N 3.24Å; E610-K613 IonicContact OE1-NZ 3.99Å; E610-K613 PolarHBondContact OE1-NZ 3.24Å; Q611-K613 VanDerWaalsContact C-N 3.27Å; Q611-K613 PolarHBondContact O-N 2.78Å; K613-Y615 PolarHBondContact O-N 3.43Å; K613-K616 PolarHBondContact O-N 3Å
614	T	97.5	Very high	96.9	Very high	98 Å²	98	68.5 Å²	68.5	60%	0.601	34%	0.339	S	S	*	.	H	α-helix	trans	-58.5	-47.4	-177.5	-61	0	0	0	0	111.9	E610 Q611	E610-T614 WeakPolarHBondContact O-CB 3.3Å; E610-T614 PolarHBondContact O-N 2.68Å; E610-T614 PolarHBondContact O-OG1 2.89Å; Q611-T614 PolarHBondContact O-N 3.35Å
615	Y	97.6	Very high	97.2	Very high	64 Å²	64	66.3 Å²	66.3	25%	0.251	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.9	-177.7	-62	-74.1	0	0	0	113.7	Q611 K613 V617 Q711 R712 W715	Q611-Y615 HydrophobicContact CB-CD2 4.14Å; Q611-Y615 HydrophobicContact CB-CE2 4.31Å; Q611-Y615 VanDerWaalsContact O-CD2 3.25Å; Q611-Y615 WeakPolarHBondContact O-CD2 3.39Å; Q611-Y615 PolarHBondContact O-N 2.92Å; K613-Y615 PolarHBondContact O-N 3.43Å; Y615-V617 PolarHBondContact O-N 2.7Å; Y615-Q711 WeakPolarHBondContact OH-CB 3.25Å; Y615-R712 HydrophobicContact CE1-CB 4.26Å; Y615-W715 HydrophobicContact CD1-CB 4.15Å; Y615-W715 HydrophobicContact CD1-CG 4.47Å; Y615-W715 HydrophobicContact CD2-CB 3.94Å; Y615-W715 AromaticContact CD2-CD1 3.18Å; Y615-W715 HydrophobicContact CD2-CD2 4.06Å; Y615-W715 AromaticContact CD2-CG 3.45Å; Y615-W715 HydrophobicContact CD2-CG 3.45Å; Y615-W715 VanDerWaalsContact CD2-CG 3.45Å; Y615-W715 AromaticContact CD2-NE1 3.68Å; Y615-W715 AromaticContact CE2-CD1 3.21Å; Y615-W715 AromaticContact CE2-CG 3.97Å; Y615-W715 HydrophobicContact CE2-CG 3.97Å; Y615-W715 AromaticContact CE2-NE1 3.58Å; Y615-W715 HydrophobicContact CG-CB 3.67Å; Y615-W715 AromaticContact CG-CD1 3.81Å; Y615-W715 AromaticContact CG-CG 3.75Å; Y615-W715 HydrophobicContact CG-CG 3.75Å; Y615-W715 AromaticContact CZ-CD1 3.84Å
616	K	97.7	Very high	97.4	Very high	178 Å²	178	66.6 Å²	66.6	77%	0.774	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	48.5	177.1	-54.9	-179.3	-179	-178.6	0	112.8	L612 K613	L612-K616 WeakPolarHBondContact O-CA 3.48Å; L612-K616 PolarHBondContact O-N 2.9Å; K613-K616 PolarHBondContact O-N 3Å
617	V	98.1	Very high	97.5	Very high	15 Å²	15	66.8 Å²	66.8	9%	0.091	33%	0.334	C	S	.	.			trans	-89.5	118.5	177.5	-172.1	0	0	0	0	108.8	L612 Y615 F619 W715 V718 K719 I722	L612-V617 HydrophobicContact CB-CB 4.48Å; L612-V617 HydrophobicContact CD2-CB 3.71Å; L612-V617 HydrophobicContact CD2-CG1 3.86Å; L612-V617 HydrophobicContact CD2-CG2 4.24Å; L612-V617 PolarHBondContact O-N 3.37Å; Y615-V617 PolarHBondContact O-N 2.7Å; V617-F619 HydrophobicContact CG1-CE2 4.4Å; V617-W715 HydrophobicContact CG2-CE3 3.92Å; V617-V718 HydrophobicContact CG1-CG1 4.06Å; V617-K719 HydrophobicContact CB-CG 4.2Å; V617-K719 HydrophobicContact CG1-CG 4.04Å; V617-K719 HydrophobicContact CG2-CD 4.09Å; V617-K719 HydrophobicContact CG2-CG 3.81Å; V617-I722 HydrophobicContact CG1-CD1 3.55Å
618	S	97.8	Very high	97.7	Very high	52 Å²	52	61.9 Å²	61.9	36%	0.364	32%	0.315	S	S	.	.			trans	-118.2	140.4	175.9	172	0	0	0	0	111.3	D620	S618-D620 WeakPolarHBondContact OG-CB 3.27Å; S618-D620 PolarHBondContact OG-N 2.72Å; S618-D620 PolarHBondContact OG-OD2 2.91Å
619	F	98.4	Very high	97.9	Very high	5 Å²	5	60.8 Å²	60.8	2%	0.022	31%	0.31	C	S	.	.			trans	-96.3	-2.3	173.1	-79	-102.7	0	0	0	112.8	I601 Y602 A605 V617 P621 L622 F623 I698 I722	I601-F619 HydrophobicContact CG2-CE1 4.09Å; Y602-F619 HydrophobicContact CD2-CB 4.1Å; Y602-F619 HydrophobicContact CD2-CD1 4.36Å; Y602-F619 AromaticContact CD2-CD2 3.69Å; Y602-F619 HydrophobicContact CD2-CD2 3.69Å; Y602-F619 HydrophobicContact CD2-CE2 4.19Å; Y602-F619 AromaticContact CD2-CG 3.79Å; Y602-F619 HydrophobicContact CD2-CG 3.79Å; Y602-F619 HydrophobicContact CE2-CD2 4.18Å; Y602-F619 HydrophobicContact CE2-CG 4.49Å; A605-F619 HydrophobicContact CB-CE2 3.6Å; A605-F619 HydrophobicContact CB-CZ 3.6Å; V617-F619 HydrophobicContact CG1-CE2 4.4Å; F619-P621 VanDerWaalsContact C-CD 3.44Å; F619-P621 VanDerWaalsContact C-N 3.33Å; F619-L622 HydrophobicContact CD1-CD2 4.24Å; F619-L622 WeakPolarHBondContact O-CB 3.35Å; F619-L622 PolarHBondContact O-N 3.34Å; F619-F623 HydrophobicContact CB-CD2 3.99Å; F619-F623 HydrophobicContact CB-CE2 3.58Å; F619-F623 HydrophobicContact CB-CZ 4.23Å; F619-F623 WeakPolarHBondContact O-CD2 3.27Å; F619-F623 PolarHBondContact O-N 2.97Å; F619-I698 HydrophobicContact CE1-CG2 4.29Å; F619-I698 HydrophobicContact CZ-CG2 4.3Å; F619-I722 HydrophobicContact CD1-CD1 4.26Å; F619-I722 HydrophobicContact CD1-CG1 4.35Å; F619-I722 HydrophobicContact CD2-CD1 3.95Å; F619-I722 HydrophobicContact CE1-CD1 3.9Å; F619-I722 HydrophobicContact CE1-CG1 3.96Å; F619-I722 HydrophobicContact CE2-CD1 3.56Å; F619-I722 HydrophobicContact CE2-CG1 4.5Å; F619-I722 HydrophobicContact CG-CD1 4.29Å; F619-I722 HydrophobicContact CZ-CD1 3.53Å; F619-I722 HydrophobicContact CZ-CG1 4.04Å
620	D	98.4	Very high	98	Very high	112 Å²	112	57.8 Å²	57.8	60%	0.599	30%	0.3	S	S	*	.	H	α-helix	trans	-55.4	-40.4	-177.2	-55.4	-34.9	0	0	0	113.2	S618 L622 F623 S624	S618-D620 WeakPolarHBondContact OG-CB 3.27Å; S618-D620 PolarHBondContact OG-N 2.72Å; S618-D620 PolarHBondContact OG-OD2 2.91Å; D620-L622 VanDerWaalsContact C-N 3.32Å; D620-L622 PolarHBondContact O-N 2.94Å; D620-F623 PolarHBondContact O-N 3.24Å; D620-S624 WeakPolarHBondContact O-CB 3.26Å; D620-S624 PolarHBondContact O-N 3.4Å
621	P	98.6	Very high	98.1	Very high	69 Å²	69	59.3 Å²	59.3	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-40	175.7	-24.6	35.8	0	0	0	112.9	F619 S624 A625 A726	F619-P621 VanDerWaalsContact C-CD 3.44Å; F619-P621 VanDerWaalsContact C-N 3.33Å; P621-S624 PolarHBondContact O-N 3Å; P621-A625 WeakPolarHBondContact O-CB 3.38Å; P621-A625 PolarHBondContact O-N 2.53Å; P621-A726 HydrophobicContact CB-CB 3.94Å
622	L	98.7	Very high	98.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-44.2	178.1	178.5	60.9	0	0	0	110.9	I601 F619 D620 S624 A625 V626 F695 I698 I722 A725 A726 V729	I601-L622 HydrophobicContact CG2-CD2 4.47Å; F619-L622 HydrophobicContact CD1-CD2 4.24Å; F619-L622 WeakPolarHBondContact O-CB 3.35Å; F619-L622 PolarHBondContact O-N 3.34Å; D620-L622 VanDerWaalsContact C-N 3.32Å; D620-L622 PolarHBondContact O-N 2.94Å; L622-S624 VanDerWaalsContact C-N 3.33Å; L622-S624 PolarHBondContact O-N 2.71Å; L622-A625 PolarHBondContact O-N 2.87Å; L622-V626 HydrophobicContact CD1-CG2 4.29Å; L622-V626 HydrophobicContact CG-CG2 4.48Å; L622-V626 WeakPolarHBondContact O-CG2 3.43Å; L622-V626 PolarHBondContact O-N 2.82Å; L622-F695 HydrophobicContact CD1-CE1 4.01Å; L622-F695 HydrophobicContact CD1-CZ 4.02Å; L622-F695 HydrophobicContact CD2-CE2 4.48Å; L622-F695 HydrophobicContact CD2-CZ 4.43Å; L622-I698 HydrophobicContact CD2-CD1 4Å; L622-I722 HydrophobicContact CB-CG2 4.31Å; L622-A725 HydrophobicContact CD1-CB 3.99Å; L622-A726 HydrophobicContact CB-CB 4.27Å; L622-V729 HydrophobicContact CD1-CG2 4.44Å
623	F	98.7	Very high	98.3	Very high	46 Å²	46	56.1 Å²	56.1	20%	0.202	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-40.1	176.1	-67.5	-49.5	0	0	0	112.3	Y602 F619 D620 V626 M627	Y602-F623 HydrophobicContact CD1-CE2 4.16Å; Y602-F623 AromaticContact CD1-CZ 3.72Å; Y602-F623 HydrophobicContact CD1-CZ 3.72Å; Y602-F623 HydrophobicContact CD2-CE2 4.44Å; Y602-F623 HydrophobicContact CD2-CZ 4.39Å; Y602-F623 HydrophobicContact CE1-CE2 4.44Å; Y602-F623 HydrophobicContact CE1-CZ 4.4Å; Y602-F623 HydrophobicContact CG-CE2 4.13Å; Y602-F623 AromaticContact CG-CZ 3.69Å; Y602-F623 HydrophobicContact CG-CZ 3.69Å; F619-F623 HydrophobicContact CB-CD2 3.99Å; F619-F623 HydrophobicContact CB-CE2 3.58Å; F619-F623 HydrophobicContact CB-CZ 4.23Å; F619-F623 WeakPolarHBondContact O-CD2 3.27Å; F619-F623 PolarHBondContact O-N 2.97Å; D620-F623 PolarHBondContact O-N 3.24Å; F623-V626 PolarHBondContact O-N 2.86Å; F623-M627 WeakPolarHBondContact O-CG 3.47Å; F623-M627 PolarHBondContact O-N 2.99Å
624	S	98.7	Very high	98.4	Very high	53 Å²	53	53 Å²	53	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-47.4	174.6	-176.6	0	0	0	0	111.5	D620 P621 L622 V626 M627 N628	D620-S624 WeakPolarHBondContact O-CB 3.26Å; D620-S624 PolarHBondContact O-N 3.4Å; P621-S624 PolarHBondContact O-N 3Å; L622-S624 VanDerWaalsContact C-N 3.33Å; L622-S624 PolarHBondContact O-N 2.71Å; S624-V626 PolarHBondContact O-N 3.26Å; S624-M627 PolarHBondContact O-N 2.71Å; S624-N628 VanDerWaalsContact O-CG 3.27Å; S624-N628 PolarHBondContact O-N 3.28Å; S624-N628 PolarHBondContact O-ND2 3.48Å
625	A	98.8	Very high	98.4	Very high	3 Å²	3	52 Å²	52	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176.9	0	0	0	0	0	112.2	P621 L622 M627 N628 F629 A726 V729 Q730	P621-A625 WeakPolarHBondContact O-CB 3.38Å; P621-A625 PolarHBondContact O-N 2.53Å; L622-A625 PolarHBondContact O-N 2.87Å; A625-M627 PolarHBondContact O-N 3.21Å; A625-N628 PolarHBondContact O-N 3.38Å; A625-F629 WeakPolarHBondContact O-CB 3.46Å; A625-F629 PolarHBondContact O-N 2.77Å; A625-A726 HydrophobicContact CB-CB 4.46Å; A625-A726 WeakPolarHBondContact CB-O 3.33Å; A625-V729 HydrophobicContact CB-CB 3.99Å; A625-V729 HydrophobicContact CB-CG1 3.96Å; A625-Q730 HydrophobicContact CB-CB 4.06Å
626	V	98.8	Very high	98.4	Very high	7 Å²	7	49 Å²	49	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-45	176.5	173.2	0	0	0	0	111.1	L594 K595 L622 F623 S624 N628 F629 S630 V729	L594-V626 HydrophobicContact CB-CG1 4.02Å; L594-V626 HydrophobicContact CB-CG2 4.3Å; K595-V626 HydrophobicContact CB-CG1 4.2Å; L622-V626 HydrophobicContact CD1-CG2 4.29Å; L622-V626 HydrophobicContact CG-CG2 4.48Å; L622-V626 WeakPolarHBondContact O-CG2 3.43Å; L622-V626 PolarHBondContact O-N 2.82Å; F623-V626 PolarHBondContact O-N 2.86Å; S624-V626 PolarHBondContact O-N 3.26Å; V626-N628 VanDerWaalsContact C-N 3.34Å; V626-N628 PolarHBondContact O-N 2.98Å; V626-F629 PolarHBondContact O-N 3.04Å; V626-S630 PolarHBondContact O-N 3.46Å; V626-S630 PolarHBondContact O-OG 3.17Å; V626-V729 HydrophobicContact CG2-CG1 4.31Å
627	M	98.6	Very high	98.4	Very high	109 Å²	109	41 Å²	41	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-41.1	176.7	-73.3	-171.6	-64.5	0	0	112.3	F623 S624 A625 S630 K631	F623-M627 WeakPolarHBondContact O-CG 3.47Å; F623-M627 PolarHBondContact O-N 2.99Å; S624-M627 PolarHBondContact O-N 2.71Å; A625-M627 PolarHBondContact O-N 3.21Å; M627-S630 PolarHBondContact O-N 2.96Å; M627-K631 WeakPolarHBondContact O-CG 3.42Å; M627-K631 PolarHBondContact O-N 2.79Å; M627-K631 VanDerWaalsContact O-N 3.09Å
628	N	98.6	Very high	98.4	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-41.2	177.6	-69.9	-15.3	0	0	0	111.3	S624 A625 V626 K631 A632 Q730	S624-N628 VanDerWaalsContact O-CG 3.27Å; S624-N628 PolarHBondContact O-N 3.28Å; S624-N628 PolarHBondContact O-ND2 3.48Å; A625-N628 PolarHBondContact O-N 3.38Å; V626-N628 VanDerWaalsContact C-N 3.34Å; V626-N628 PolarHBondContact O-N 2.98Å; N628-K631 PolarHBondContact O-N 3.09Å; N628-A632 WeakPolarHBondContact O-CB 3.33Å; N628-A632 PolarHBondContact O-N 2.86Å; N628-Q730 PolarHBondContact ND2-OE1 2.99Å
629	F	98.8	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-49.9	173.4	-174.7	-80.9	0	0	0	111.7	Y590 L594 A625 V626 K631 A632 A633 I661 F665 V729 A732 A733 L736	Y590-F629 HydrophobicContact CG-CZ 4.42Å; L594-F629 HydrophobicContact CD1-CB 4.48Å; L594-F629 HydrophobicContact CD1-CD1 3.72Å; L594-F629 HydrophobicContact CD1-CD2 4.28Å; L594-F629 HydrophobicContact CD1-CE1 3.99Å; L594-F629 HydrophobicContact CD1-CE2 4.5Å; L594-F629 HydrophobicContact CD1-CG 3.88Å; L594-F629 HydrophobicContact CD1-CZ 4.37Å; A625-F629 WeakPolarHBondContact O-CB 3.46Å; A625-F629 PolarHBondContact O-N 2.77Å; V626-F629 PolarHBondContact O-N 3.04Å; F629-K631 VanDerWaalsContact C-N 3.28Å; F629-K631 PolarHBondContact O-N 3.09Å; F629-A632 PolarHBondContact O-N 2.83Å; F629-A633 HydrophobicContact CE1-CB 4.26Å; F629-A633 WeakPolarHBondContact O-CB 3.5Å; F629-A633 PolarHBondContact O-N 3.43Å; F629-I661 HydrophobicContact CE2-CD1 3.83Å; F629-I661 HydrophobicContact CE2-CG1 4.37Å; F629-I661 HydrophobicContact CZ-CD1 4.19Å; F629-I661 HydrophobicContact CZ-CG1 4.28Å; F629-F665 HydrophobicContact CD2-CZ 4.39Å; F629-F665 HydrophobicContact CE2-CE1 4.32Å; F629-F665 AromaticContact CE2-CZ 3.63Å; F629-F665 HydrophobicContact CE2-CZ 3.63Å; F629-F665 AromaticContact CZ-CZ 3.97Å; F629-F665 HydrophobicContact CZ-CZ 3.97Å; F629-V729 HydrophobicContact CB-CG1 3.93Å; F629-V729 HydrophobicContact CG-CG1 4.44Å; F629-A732 HydrophobicContact CD2-CB 4.13Å; F629-A732 HydrophobicContact CE2-CB 3.92Å; F629-A733 HydrophobicContact CB-CB 3.98Å; F629-A733 HydrophobicContact CD2-CB 4.1Å; F629-A733 HydrophobicContact CG-CB 4.46Å; F629-L736 HydrophobicContact CE2-CD1 4.3Å; F629-L736 HydrophobicContact CZ-CD1 4.23Å
630	S	98.4	Very high	98.1	Very high	35 Å²	35	45.5 Å²	45.5	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-40.6	178.5	-63.1	0	0	0	0	112.3	V626 M627 A634	V626-S630 PolarHBondContact O-N 3.46Å; V626-S630 PolarHBondContact O-OG 3.17Å; M627-S630 PolarHBondContact O-N 2.96Å; S630-A634 WeakPolarHBondContact O-CB 3.45Å; S630-A634 PolarHBondContact O-N 3.44Å; S630-A634 VanDerWaalsContact O-N 3.08Å
631	K	98.4	Very high	97.9	Very high	146 Å²	146	47.1 Å²	47.1	64%	0.635	24%	0.243	S	C	*	.	H	α-helix	trans	-65.6	-46.7	175.4	-71.5	174.4	-177.2	177	0	112	M627 N628 F629 A633 A634 E635	M627-K631 WeakPolarHBondContact O-CG 3.42Å; M627-K631 PolarHBondContact O-N 2.79Å; M627-K631 VanDerWaalsContact O-N 3.09Å; N628-K631 PolarHBondContact O-N 3.09Å; F629-K631 VanDerWaalsContact C-N 3.28Å; F629-K631 PolarHBondContact O-N 3.09Å; K631-A633 VanDerWaalsContact C-N 3.34Å; K631-A633 PolarHBondContact O-N 3.22Å; K631-A634 PolarHBondContact O-N 2.9Å; K631-E635 WeakPolarHBondContact O-CB 3.26Å; K631-E635 PolarHBondContact O-N 3.08Å
632	A	98.6	Very high	97.6	Very high	13 Å²	13	50.1 Å²	50.1	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-40.8	179	0	0	0	0	0	111.8	N628 F629 E635 F636 A733 L736	N628-A632 WeakPolarHBondContact O-CB 3.33Å; N628-A632 PolarHBondContact O-N 2.86Å; F629-A632 PolarHBondContact O-N 2.83Å; A632-E635 PolarHBondContact O-N 2.97Å; A632-F636 VanDerWaalsContact O-CB 3.26Å; A632-F636 WeakPolarHBondContact O-CB 3.32Å; A632-F636 PolarHBondContact O-N 2.96Å; A632-A733 HydrophobicContact CB-CB 4.13Å; A632-A733 WeakPolarHBondContact CB-O 3.41Å; A632-L736 HydrophobicContact CB-CB 4.23Å
633	A	98.5	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-42.7	175.4	0	0	0	0	0	112.7	C587 R588 F629 K631 H637 L736	C587-A633 HydrophobicContact CB-CB 3.85Å; R588-A633 HydrophobicContact CG-CB 4.5Å; F629-A633 HydrophobicContact CE1-CB 4.26Å; F629-A633 WeakPolarHBondContact O-CB 3.5Å; F629-A633 PolarHBondContact O-N 3.43Å; K631-A633 VanDerWaalsContact C-N 3.34Å; K631-A633 PolarHBondContact O-N 3.22Å; A633-H637 PolarHBondContact O-CD2 3.34Å; A633-H637 VanDerWaalsContact O-CD2 3.3Å; A633-H637 PolarHBondContact O-N 2.74Å; A633-H637 VanDerWaalsContact O-N 3.11Å; A633-L736 HydrophobicContact CB-CD1 4.01Å
634	A	98.2	Very high	96.8	Very high	53 Å²	53	53.2 Å²	53.2	44%	0.438	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-44.9	176	0	0	0	0	0	111.8	S630 K631 H637 R638	S630-A634 WeakPolarHBondContact O-CB 3.45Å; S630-A634 PolarHBondContact O-N 3.44Å; S630-A634 VanDerWaalsContact O-N 3.08Å; K631-A634 PolarHBondContact O-N 2.9Å; A634-H637 PolarHBondContact O-N 3.44Å; A634-R638 PolarHBondContact O-N 3.39Å
635	E	97.9	Very high	96.4	Very high	77 Å²	77	54.9 Å²	54.9	36%	0.36	28%	0.275	S	S	.	.	H	α-helix	trans	-67.5	-40.5	179.1	-177.9	56.8	-159.9	0	0	112.3	K631 A632 H637 R638 R639	K631-E635 WeakPolarHBondContact O-CB 3.26Å; K631-E635 PolarHBondContact O-N 3.08Å; A632-E635 PolarHBondContact O-N 2.97Å; E635-H637 VanDerWaalsContact C-N 3.34Å; E635-H637 PolarHBondContact O-N 3.47Å; E635-R638 WeakPolarHBondContact O-CB 3.16Å; E635-R638 PolarHBondContact O-N 3.19Å; E635-R638 IonicContact OE1-CZ 3.94Å; E635-R638 VanDerWaalsContact OE1-CZ 3.27Å; E635-R638 IonicContact OE1-NE 2.93Å; E635-R638 PolarHBondContact OE1-NE 3.49Å; E635-R638 VanDerWaalsContact OE1-NE 3.11Å; E635-R638 IonicContact OE1-NH2 2.77Å; E635-R638 PolarHBondContact OE1-NH2 2.81Å; E635-R638 IonicContact OE2-CZ 3.11Å; E635-R638 IonicContact OE2-NE 2.65Å; E635-R638 PolarHBondContact OE2-NE 3.47Å; E635-R638 IonicContact OE2-NH2 3.27Å; E635-R639 PolarHBondContact O-N 3.35Å
636	F	98.3	Very high	96.1	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-46.6	173.4	173.7	-92.7	0	0	0	111.6	A632 R638 R639 L640 Q657 L658 L736	A632-F636 VanDerWaalsContact O-CB 3.26Å; A632-F636 WeakPolarHBondContact O-CB 3.32Å; A632-F636 PolarHBondContact O-N 2.96Å; F636-R638 VanDerWaalsContact C-N 3.32Å; F636-R638 PolarHBondContact O-N 3.14Å; F636-R639 PolarHBondContact O-N 3.13Å; F636-L640 HydrophobicContact CE1-CD2 4.13Å; F636-L640 HydrophobicContact CZ-CD1 4.48Å; F636-L640 WeakPolarHBondContact O-CB 3.47Å; F636-L640 PolarHBondContact O-N 2.9Å; F636-Q657 HydrophobicContact CD2-CB 4.45Å; F636-Q657 HydrophobicContact CE2-CB 3.62Å; F636-Q657 HydrophobicContact CE2-CG 4.27Å; F636-Q657 HydrophobicContact CZ-CB 4.07Å; F636-L658 HydrophobicContact CD1-CD2 4.45Å; F636-L658 HydrophobicContact CE1-CD2 3.45Å; F636-L658 VanDerWaalsContact CE1-CD2 3.45Å; F636-L658 HydrophobicContact CE1-CG 3.8Å; F636-L658 HydrophobicContact CZ-CD2 3.98Å; F636-L658 HydrophobicContact CZ-CG 3.79Å; F636-L736 HydrophobicContact CB-CB 4.13Å; F636-L736 HydrophobicContact CD1-CD2 4.45Å; F636-L736 HydrophobicContact CD2-CD2 4.32Å; F636-L736 HydrophobicContact CG-CB 4.46Å; F636-L736 HydrophobicContact CG-CD2 4.17Å
637	H	97.9	Very high	95.9	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.046	33%	0.325	C	S	.	.	H	α-helix	trans	-64.7	-34.7	177.2	-87.3	-95.3	0	0	0	112.5	D586 C587 R588 A633 A634 E635 R639 L640 E641	D586-H637 IonicContact OD1-CE1 2.85Å; D586-H637 IonicContact OD1-NE2 2.82Å; C587-H637 PolarHBondContact N-NE2 3.24Å; R588-H637 PolarHBondContact NH2-ND1 2.97Å; A633-H637 PolarHBondContact O-CD2 3.34Å; A633-H637 VanDerWaalsContact O-CD2 3.3Å; A633-H637 PolarHBondContact O-N 2.74Å; A633-H637 VanDerWaalsContact O-N 3.11Å; A634-H637 PolarHBondContact O-N 3.44Å; E635-H637 VanDerWaalsContact C-N 3.34Å; E635-H637 PolarHBondContact O-N 3.47Å; H637-R639 VanDerWaalsContact C-N 3.34Å; H637-R639 PolarHBondContact O-N 3.12Å; H637-L640 WeakPolarHBondContact O-CB 3.43Å; H637-L640 PolarHBondContact O-N 2.82Å; H637-E641 WeakPolarHBondContact O-CG 3.4Å; H637-E641 PolarHBondContact O-N 2.97Å
638	R	97.1	Very high	95.6	Very high	106 Å²	106	63.9 Å²	63.9	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-40.9	172.9	-168.2	-168.2	69.8	72	-2	112	A634 E635 F636 Q642	A634-R638 PolarHBondContact O-N 3.39Å; E635-R638 WeakPolarHBondContact O-CB 3.16Å; E635-R638 PolarHBondContact O-N 3.19Å; E635-R638 IonicContact OE1-CZ 3.94Å; E635-R638 VanDerWaalsContact OE1-CZ 3.27Å; E635-R638 IonicContact OE1-NE 2.93Å; E635-R638 PolarHBondContact OE1-NE 3.49Å; E635-R638 VanDerWaalsContact OE1-NE 3.11Å; E635-R638 IonicContact OE1-NH2 2.77Å; E635-R638 PolarHBondContact OE1-NH2 2.81Å; E635-R638 IonicContact OE2-CZ 3.11Å; E635-R638 IonicContact OE2-NE 2.65Å; E635-R638 PolarHBondContact OE2-NE 3.47Å; E635-R638 IonicContact OE2-NH2 3.27Å; F636-R638 VanDerWaalsContact C-N 3.32Å; F636-R638 PolarHBondContact O-N 3.14Å; R638-Q642 VanDerWaalsContact NH1-CD 3.34Å; R638-Q642 VanDerWaalsContact NH1-NE2 3.15Å; R638-Q642 WeakPolarHBondContact O-CG 3.2Å
639	R	95.9	Very high	95.5	Very high	34 Å²	34	65.8 Å²	65.8	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-70.5	-37.7	174.9	-65.1	-167.2	-49.9	-132.6	-0.9	112.3	E635 F636 H637 E641 Q642 A643 L736 K737	E635-R639 PolarHBondContact O-N 3.35Å; F636-R639 PolarHBondContact O-N 3.13Å; H637-R639 VanDerWaalsContact C-N 3.34Å; H637-R639 PolarHBondContact O-N 3.12Å; R639-E641 VanDerWaalsContact C-N 3.29Å; R639-E641 PolarHBondContact O-N 3.05Å; R639-Q642 CarbonylContact O-C 3.51Å; R639-Q642 PolarHBondContact O-N 2.74Å; R639-A643 PolarHBondContact O-N 3.08Å; R639-A643 VanDerWaalsContact O-N 3.1Å; R639-L736 PolarHBondContact NH2-O 3.07Å; R639-K737 VanDerWaalsContact NH2-C 3.28Å; R639-K737 PolarHBondContact NH2-O 2.71Å; R639-K737 VanDerWaalsContact NH2-O 3.08Å
640	L	95.3	Very high	95.2	Very high	26 Å²	26	67 Å²	67	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-40.7	176.5	-171.1	65.4	0	0	0	111.6	I582 F636 H637 Q642 A643 M654 L658	I582-L640 HydrophobicContact CD1-CD1 4.02Å; I582-L640 HydrophobicContact CG2-CD1 3.85Å; I582-L640 HydrophobicContact CG2-CD2 4.03Å; I582-L640 HydrophobicContact CG2-CG 4.27Å; F636-L640 HydrophobicContact CE1-CD2 4.13Å; F636-L640 HydrophobicContact CZ-CD1 4.48Å; F636-L640 WeakPolarHBondContact O-CB 3.47Å; F636-L640 PolarHBondContact O-N 2.9Å; H637-L640 WeakPolarHBondContact O-CB 3.43Å; H637-L640 PolarHBondContact O-N 2.82Å; L640-Q642 PolarHBondContact O-N 2.83Å; L640-A643 WeakPolarHBondContact O-CB 3.45Å; L640-A643 PolarHBondContact O-N 2.88Å; L640-M654 HydrophobicContact CB-SD 4.46Å; L640-M654 HydrophobicContact CD1-CB 3.85Å; L640-M654 HydrophobicContact CD1-CG 4.27Å; L640-M654 HydrophobicContact CD1-SD 3.51Å; L640-M654 VanDerWaalsContact CD1-SD 3.51Å; L640-L658 HydrophobicContact CD2-CD1 4.27Å
641	E	93.9	Very high	95.1	Very high	146 Å²	146	65.9 Å²	65.9	68%	0.682	35%	0.345	S	S	*	.	H	α-helix	trans	-66.7	-22.7	175.2	-72.2	170.7	-169.4	0	0	113.4	H637 R639	H637-E641 WeakPolarHBondContact O-CG 3.4Å; H637-E641 PolarHBondContact O-N 2.97Å; R639-E641 VanDerWaalsContact C-N 3.29Å; R639-E641 PolarHBondContact O-N 3.05Å
642	Q	92.4	Very high	95	Very high	132 Å²	132	61.7 Å²	61.7	62%	0.617	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	0.1	-179.2	-65.7	178.8	-8.5	0	0	113.2	R638 R639 L640	R638-Q642 VanDerWaalsContact NH1-CD 3.34Å; R638-Q642 VanDerWaalsContact NH1-NE2 3.15Å; R638-Q642 WeakPolarHBondContact O-CG 3.2Å; R639-Q642 CarbonylContact O-C 3.51Å; R639-Q642 PolarHBondContact O-N 2.74Å; L640-Q642 PolarHBondContact O-N 2.83Å
643	A	89.3	Confident	94.9	Very high	17 Å²	17	64.9 Å²	64.9	14%	0.14	34%	0.34	C	S	.	.			trans	-65.2	137.9	-175.6	0	0	0	0	0	112	R639 L640 M645 M654	R639-A643 PolarHBondContact O-N 3.08Å; R639-A643 VanDerWaalsContact O-N 3.1Å; L640-A643 WeakPolarHBondContact O-CB 3.45Å; L640-A643 PolarHBondContact O-N 2.88Å; A643-M645 PolarHBondContact O-N 3.18Å; A643-M645 VanDerWaalsContact O-N 3.07Å; A643-M654 HydrophobicContact CB-CE 3.5Å; A643-M654 VanDerWaalsContact CB-CE 3.5Å; A643-M654 HydrophobicContact CB-SD 3.37Å; A643-M654 WeakPolarHBondContact CB-SD 3.47Å
644	D	90.1	Very high	94.9	Very high	93 Å²	93	66.3 Å²	66.3	50%	0.497	35%	0.347	S	S	.	.			trans	-72.6	103.5	169.8	-174.1	2.9	0	0	0	109.9	N646 D647	D644-N646 PolarHBondContact O-N 3.01Å; D644-N646 VanDerWaalsContact O-N 3.14Å; D644-N646 WeakPolarHBondContact OD1-CB 3.27Å; D644-N646 PolarHBondContact OD1-N 3.44Å; D644-N646 PolarHBondContact OD1-ND2 3.34Å; D644-D647 HydrophobicContact CB-CB 4.42Å; D644-D647 PolarHBondContact O-N 3.26Å; D644-D647 VanDerWaalsContact O-N 3.11Å
645	M	90.7	Very high	94.9	Very high	88 Å²	88	63.9 Å²	63.9	43%	0.433	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12	178.8	-66.5	-58	-66.3	0	0	113.7	I582 A643 V651	I582-M645 HydrophobicContact CD1-CE 4.21Å; I582-M645 HydrophobicContact CD1-SD 4.07Å; I582-M645 HydrophobicContact CG1-CE 3.7Å; I582-M645 HydrophobicContact CG1-SD 3.9Å; A643-M645 PolarHBondContact O-N 3.18Å; A643-M645 VanDerWaalsContact O-N 3.07Å; M645-V651 HydrophobicContact CE-CG2 4.45Å; M645-V651 HydrophobicContact SD-CG2 4.12Å
646	N	91.9	Very high	94.9	Very high	142 Å²	142	62 Å²	62	76%	0.759	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.3	176.3	-52.8	-67.5	0	0	0	113.1	D644 P648	D644-N646 PolarHBondContact O-N 3.01Å; D644-N646 VanDerWaalsContact O-N 3.14Å; D644-N646 WeakPolarHBondContact OD1-CB 3.27Å; D644-N646 PolarHBondContact OD1-N 3.44Å; D644-N646 PolarHBondContact OD1-ND2 3.34Å; N646-P648 VanDerWaalsContact O-CD 3.27Å; N646-P648 WeakPolarHBondContact O-CD 3.21Å
647	D	94.4	Very high	94.9	Very high	68 Å²	68	63 Å²	63	36%	0.364	32%	0.324	S	S	.	.			trans	-92.7	104.8	173.2	-178.1	-8.2	0	0	0	109.8	D644 V649 A650 V651	D644-D647 HydrophobicContact CB-CB 4.42Å; D644-D647 PolarHBondContact O-N 3.26Å; D644-D647 VanDerWaalsContact O-N 3.11Å; D647-V649 PolarHBondContact O-N 2.82Å; D647-V649 WeakPolarHBondContact OD1-CB 3.45Å; D647-V649 PolarHBondContact OD1-N 3.06Å; D647-A650 HydrophobicContact CB-CB 3.86Å; D647-A650 PolarHBondContact O-N 2.94Å; D647-A650 PolarHBondContact OD1-N 3.41Å; D647-V651 WeakPolarHBondContact O-CG2 3.42Å; D647-V651 PolarHBondContact O-N 3.42Å; D647-V651 VanDerWaalsContact O-N 3.08Å
648	P	93.5	Very high	94.9	Very high	99 Å²	99	62.5 Å²	62.5	64%	0.643	32%	0.321	S	S	*	.	H	α-helix	trans	-64.7	-26.9	-178.1	-18.9	33.9	0	0	0	112.8	N646 R652	N646-P648 VanDerWaalsContact O-CD 3.27Å; N646-P648 WeakPolarHBondContact O-CD 3.21Å; P648-R652 WeakPolarHBondContact O-CB 3.5Å; P648-R652 PolarHBondContact O-N 3.33Å
649	V	95.1	Very high	95	Very high	95 Å²	95	57.5 Å²	57.5	58%	0.576	30%	0.302	S	S	*	.	H	α-helix	trans	-74.1	-45.4	179.4	179.7	0	0	0	0	109.7	D647 V651 R652 I653	D647-V649 PolarHBondContact O-N 2.82Å; D647-V649 WeakPolarHBondContact OD1-CB 3.45Å; D647-V649 PolarHBondContact OD1-N 3.06Å; V649-V651 PolarHBondContact O-N 2.9Å; V649-R652 PolarHBondContact O-N 3.22Å; V649-I653 HydrophobicContact CG1-CD1 4Å; V649-I653 WeakPolarHBondContact O-CG1 3.49Å; V649-I653 PolarHBondContact O-N 3.08Å
650	A	94.1	Very high	95.1	Very high	25 Å²	25	58.5 Å²	58.5	21%	0.207	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-47.1	175.3	0	0	0	0	0	111.7	D647 R652 I653 M654	D647-A650 HydrophobicContact CB-CB 3.86Å; D647-A650 PolarHBondContact O-N 2.94Å; D647-A650 PolarHBondContact OD1-N 3.41Å; A650-R652 VanDerWaalsContact C-N 3.31Å; A650-R652 PolarHBondContact O-N 2.92Å; A650-I653 PolarHBondContact O-N 3.45Å; A650-M654 WeakPolarHBondContact O-CG 3.5Å; A650-M654 PolarHBondContact O-N 3.05Å; A650-M654 VanDerWaalsContact O-N 3.13Å
651	V	95.7	Very high	95.3	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-43	175.3	168.5	0	0	0	0	111.2	I582 M645 D647 V649 M654 N655	I582-V651 HydrophobicContact CD1-CG1 3.88Å; I582-V651 HydrophobicContact CD1-CG2 4.43Å; M645-V651 HydrophobicContact CE-CG2 4.45Å; M645-V651 HydrophobicContact SD-CG2 4.12Å; D647-V651 WeakPolarHBondContact O-CG2 3.42Å; D647-V651 PolarHBondContact O-N 3.42Å; D647-V651 VanDerWaalsContact O-N 3.08Å; V649-V651 PolarHBondContact O-N 2.9Å; V651-M654 PolarHBondContact O-N 2.84Å; V651-N655 WeakPolarHBondContact O-CB 3.24Å; V651-N655 PolarHBondContact O-N 2.89Å; V651-N655 PolarHBondContact O-ND2 3.36Å
652	R	96.9	Very high	95.5	Very high	58 Å²	58	50.3 Å²	50.3	22%	0.219	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-43.9	179.1	-179	61.5	174.3	-116	-22.5	112.4	E357 D359 R360 P648 V649 A650 M654 N655 D656	E357-R652 WeakPolarHBondContact OE1-CD 3.48Å; E357-R652 IonicContact OE1-CZ 2.96Å; E357-R652 IonicContact OE1-NE 2.71Å; E357-R652 IonicContact OE1-NH1 3.3Å; E357-R652 PolarHBondContact OE1-NH1 2.95Å; D359-R652 IonicContact OD1-CZ 2.79Å; D359-R652 IonicContact OD1-NH1 3.78Å; D359-R652 PolarHBondContact OD1-NH1 2.94Å; D359-R652 VanDerWaalsContact OD1-NH1 3.09Å; D359-R652 IonicContact OD1-NH2 3.95Å; D359-R652 PolarHBondContact OD1-NH2 3.47Å; D359-R652 IonicContact OD2-CZ 3.78Å; D359-R652 IonicContact OD2-NH1 3.98Å; D359-R652 IonicContact OD2-NH2 3.89Å; D359-R652 PolarHBondContact OD2-NH2 3.17Å; R360-R652 VanDerWaalsContact NH2-CZ 3.33Å; P648-R652 WeakPolarHBondContact O-CB 3.5Å; P648-R652 PolarHBondContact O-N 3.33Å; V649-R652 PolarHBondContact O-N 3.22Å; A650-R652 VanDerWaalsContact C-N 3.31Å; A650-R652 PolarHBondContact O-N 2.92Å; R652-M654 VanDerWaalsContact C-N 3.3Å; R652-M654 PolarHBondContact O-N 2.88Å; R652-N655 PolarHBondContact O-N 2.96Å; R652-D656 IonicContact NE-OD1 3.54Å; R652-D656 PolarHBondContact NE-OD1 3.38Å; R652-D656 IonicContact NE-OD2 2.91Å; R652-D656 WeakPolarHBondContact O-CB 3.4Å; R652-D656 PolarHBondContact O-N 3.29Å
653	I	96.7	Very high	95.8	Very high	81 Å²	81	45.4 Å²	45.4	42%	0.415	25%	0.245	S	C	.	.	H	α-helix	trans	-57.8	-45.7	176.8	-70.9	166.2	0	0	0	110.1	V649 A650 D656 Q657	V649-I653 HydrophobicContact CG1-CD1 4Å; V649-I653 WeakPolarHBondContact O-CG1 3.49Å; V649-I653 PolarHBondContact O-N 3.08Å; A650-I653 PolarHBondContact O-N 3.45Å; I653-D656 PolarHBondContact O-N 3.35Å; I653-Q657 PolarHBondContact O-N 2.91Å
654	M	97.1	Very high	96.2	Very high	29 Å²	29	45.8 Å²	45.8	14%	0.143	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-40.5	178.4	-67.4	-170.7	178.8	0	0	112.9	L640 A643 A650 V651 R652 D656 Q657 L658	L640-M654 HydrophobicContact CB-SD 4.46Å; L640-M654 HydrophobicContact CD1-CB 3.85Å; L640-M654 HydrophobicContact CD1-CG 4.27Å; L640-M654 HydrophobicContact CD1-SD 3.51Å; L640-M654 VanDerWaalsContact CD1-SD 3.51Å; A643-M654 HydrophobicContact CB-CE 3.5Å; A643-M654 VanDerWaalsContact CB-CE 3.5Å; A643-M654 HydrophobicContact CB-SD 3.37Å; A643-M654 WeakPolarHBondContact CB-SD 3.47Å; A650-M654 WeakPolarHBondContact O-CG 3.5Å; A650-M654 PolarHBondContact O-N 3.05Å; A650-M654 VanDerWaalsContact O-N 3.13Å; V651-M654 PolarHBondContact O-N 2.84Å; R652-M654 VanDerWaalsContact C-N 3.3Å; R652-M654 PolarHBondContact O-N 2.88Å; M654-D656 VanDerWaalsContact C-N 3.28Å; M654-D656 PolarHBondContact O-N 2.66Å; M654-Q657 PolarHBondContact O-N 2.93Å; M654-L658 WeakPolarHBondContact O-CG 3.3Å; M654-L658 PolarHBondContact O-N 3.24Å
655	N	98.3	Very high	96.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-36.9	173.8	-80.1	-29.1	0	0	0	112.1	R404 Y581 I582 L583 V651 R652 L658 M659	R404-N655 PolarHBondContact NH2-ND2 2.8Å; Y581-N655 PolarHBondContact O-ND2 3.45Å; I582-N655 WeakPolarHBondContact CA-OD1 3.24Å; L583-N655 HydrophobicContact CD1-CB 4.24Å; L583-N655 WeakPolarHBondContact CD1-O 3.1Å; L583-N655 HydrophobicContact CG-CB 4.33Å; L583-N655 PolarHBondContact N-OD1 3.1Å; V651-N655 WeakPolarHBondContact O-CB 3.24Å; V651-N655 PolarHBondContact O-N 2.89Å; V651-N655 PolarHBondContact O-ND2 3.36Å; R652-N655 PolarHBondContact O-N 2.96Å; N655-L658 PolarHBondContact O-N 3.31Å; N655-M659 WeakPolarHBondContact O-CB 3.25Å; N655-M659 PolarHBondContact O-N 2.96Å
656	D	98.5	Very high	97	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.203	21%	0.211	C	C	.	.	H	α-helix	trans	-67.1	-42.5	176.2	-74.9	-9.4	0	0	0	110.5	R360 R652 I653 M654 L658 M659 F660	R360-D656 IonicContact CZ-OD1 3.54Å; R360-D656 VanDerWaalsContact CZ-OD1 3.3Å; R360-D656 IonicContact NE-OD1 3.88Å; R360-D656 PolarHBondContact NE-OD1 3.34Å; R360-D656 VanDerWaalsContact NH2-CG 3.26Å; R360-D656 IonicContact NH2-OD1 2.99Å; R360-D656 PolarHBondContact NH2-OD1 2.64Å; R360-D656 IonicContact NH2-OD2 3.41Å; R360-D656 PolarHBondContact NH2-OD2 2.94Å; R360-D656 VanDerWaalsContact NH2-OD2 3.07Å; R652-D656 IonicContact NE-OD1 3.54Å; R652-D656 PolarHBondContact NE-OD1 3.38Å; R652-D656 IonicContact NE-OD2 2.91Å; R652-D656 WeakPolarHBondContact O-CB 3.4Å; R652-D656 PolarHBondContact O-N 3.29Å; I653-D656 PolarHBondContact O-N 3.35Å; M654-D656 VanDerWaalsContact C-N 3.28Å; M654-D656 PolarHBondContact O-N 2.66Å; D656-L658 VanDerWaalsContact C-N 3.32Å; D656-L658 PolarHBondContact O-N 2.97Å; D656-M659 PolarHBondContact O-N 3.39Å; D656-F660 HydrophobicContact CB-CD2 4.01Å; D656-F660 HydrophobicContact CB-CE2 4.08Å; D656-F660 WeakPolarHBondContact O-CB 3.27Å; D656-F660 WeakPolarHBondContact O-CD2 3.32Å; D656-F660 PolarHBondContact O-N 3.35Å
657	Q	98.3	Very high	97.3	Very high	21 Å²	21	33.5 Å²	33.5	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-42.4	172.2	-66.5	-172.4	-85.1	0	0	112.4	F636 I653 M654 I661 T735 K737	F636-Q657 HydrophobicContact CD2-CB 4.45Å; F636-Q657 HydrophobicContact CE2-CB 3.62Å; F636-Q657 HydrophobicContact CE2-CG 4.27Å; F636-Q657 HydrophobicContact CZ-CB 4.07Å; I653-Q657 PolarHBondContact O-N 2.91Å; M654-Q657 PolarHBondContact O-N 2.93Å; Q657-I661 PolarHBondContact O-N 3.04Å; Q657-T735 PolarHBondContact NE2-O 3Å; Q657-K737 PolarHBondContact NE2-O 2.97Å
658	L	98.6	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-41.3	175.3	-75.7	172.9	0	0	0	112.6	I582 L583 F585 F636 L640 M654 N655 D656 I661	I582-L658 HydrophobicContact CG2-CD1 3.84Å; L583-L658 HydrophobicContact CB-CB 4.26Å; L583-L658 HydrophobicContact CB-CD1 3.96Å; L583-L658 HydrophobicContact CD1-CB 4.23Å; L583-L658 WeakPolarHBondContact O-CD1 3.29Å; F585-L658 HydrophobicContact CB-CD2 4.1Å; F585-L658 HydrophobicContact CD2-CB 4.2Å; F585-L658 WeakPolarHBondContact CD2-O 3.36Å; F636-L658 HydrophobicContact CD1-CD2 4.45Å; F636-L658 HydrophobicContact CE1-CD2 3.45Å; F636-L658 VanDerWaalsContact CE1-CD2 3.45Å; F636-L658 HydrophobicContact CE1-CG 3.8Å; F636-L658 HydrophobicContact CZ-CD2 3.98Å; F636-L658 HydrophobicContact CZ-CG 3.79Å; L640-L658 HydrophobicContact CD2-CD1 4.27Å; M654-L658 WeakPolarHBondContact O-CG 3.3Å; M654-L658 PolarHBondContact O-N 3.24Å; N655-L658 PolarHBondContact O-N 3.31Å; D656-L658 VanDerWaalsContact C-N 3.32Å; D656-L658 PolarHBondContact O-N 2.97Å; L658-I661 WeakPolarHBondContact O-CG2 3.47Å
659	M	98.4	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-42.8	-178.9	179.6	176.9	74	0	0	112.1	R360 E434 V437 L583 N655 D656	R360-M659 VanDerWaalsContact CD-SD 3.56Å; E434-M659 WeakPolarHBondContact O-CE 3.39Å; V437-M659 HydrophobicContact CG2-SD 3.87Å; L583-M659 HydrophobicContact CD1-CB 4Å; N655-M659 WeakPolarHBondContact O-CB 3.25Å; N655-M659 PolarHBondContact O-N 2.96Å; D656-M659 PolarHBondContact O-N 3.39Å
660	F	98.5	Very high	97.7	Very high	56 Å²	56	33 Å²	33	25%	0.246	18%	0.18	C	C	.	.	H	α-helix	trans	-82.8	-9.4	-172.7	-73	-65.4	0	0	0	113.9	D656 E662 R663 A664	D656-F660 HydrophobicContact CB-CD2 4.01Å; D656-F660 HydrophobicContact CB-CE2 4.08Å; D656-F660 WeakPolarHBondContact O-CB 3.27Å; D656-F660 WeakPolarHBondContact O-CD2 3.32Å; D656-F660 PolarHBondContact O-N 3.35Å; F660-E662 VanDerWaalsContact C-N 3.28Å; F660-E662 PolarHBondContact O-N 3.16Å; F660-R663 HydrophobicContact CD1-CB 4.42Å; F660-R663 HydrophobicContact CD1-CG 3.87Å; F660-R663 WeakPolarHBondContact O-CA 3.29Å; F660-R663 VanDerWaalsContact O-CB 3.32Å; F660-R663 WeakPolarHBondContact O-CB 3.27Å; F660-R663 PolarHBondContact O-N 3.21Å; F660-A664 PolarHBondContact O-N 2.94Å; F660-A664 VanDerWaalsContact O-N 3.11Å
661	I	98.1	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.3	178.5	-166.8	56.9	0	0	0	112.8	L459 F629 Q657 L658 R663 A664 F665 A732 T735 L736	L459-I661 HydrophobicContact CD1-CG2 3.47Å; L459-I661 VanDerWaalsContact CD1-CG2 3.47Å; L459-I661 HydrophobicContact CD2-CG2 3.65Å; L459-I661 HydrophobicContact CG-CG2 4.19Å; F629-I661 HydrophobicContact CE2-CD1 3.83Å; F629-I661 HydrophobicContact CE2-CG1 4.37Å; F629-I661 HydrophobicContact CZ-CD1 4.19Å; F629-I661 HydrophobicContact CZ-CG1 4.28Å; Q657-I661 PolarHBondContact O-N 3.04Å; L658-I661 WeakPolarHBondContact O-CG2 3.47Å; I661-R663 VanDerWaalsContact C-N 3.32Å; I661-R663 PolarHBondContact O-N 3.18Å; I661-A664 WeakPolarHBondContact O-CB 3.44Å; I661-A664 PolarHBondContact O-N 3.49Å; I661-F665 WeakPolarHBondContact O-CD2 3.49Å; I661-A732 HydrophobicContact CD1-CB 4.25Å; I661-A732 VanDerWaalsContact CD1-O 3.27Å; I661-A732 WeakPolarHBondContact CD1-O 3.13Å; I661-T735 WeakPolarHBondContact CD1-OG1 3.13Å; I661-L736 HydrophobicContact CB-CD2 4.47Å; I661-L736 HydrophobicContact CD1-CD1 3.87Å; I661-L736 HydrophobicContact CD1-CD2 3.78Å; I661-L736 HydrophobicContact CD1-CG 3.66Å; I661-L736 HydrophobicContact CG1-CD1 4.45Å; I661-L736 HydrophobicContact CG1-CD2 4.2Å; I661-L736 HydrophobicContact CG1-CG 4.49Å
662	E	98.4	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-32.4	177.3	-162.7	79.8	-99.6	0	0	111.6	T457 L459 F515 G519 A521 Y590 F660 A664 F665 H679	T457-E662 WeakPolarHBondContact CB-OE2 3.25Å; T457-E662 WeakPolarHBondContact CG2-OE2 3.18Å; T457-E662 PolarHBondContact OG1-OE2 3.01Å; L459-E662 HydrophobicContact CD1-CB 4.05Å; L459-E662 WeakPolarHBondContact CD1-OE2 3.24Å; F515-E662 HydrophobicContact CE2-CG 4.25Å; G519-E662 CarbonylContact O-C 3.36Å; G519-E662 WeakPolarHBondContact O-CB 3.15Å; G519-E662 VanDerWaalsContact O-CG 3.24Å; G519-E662 WeakPolarHBondContact O-CG 3.28Å; A521-E662 HydrophobicContact CB-CB 4.48Å; Y590-E662 WeakPolarHBondContact CE2-OE1 3.36Å; Y590-E662 PolarHBondContact OH-OE1 3.12Å; F660-E662 VanDerWaalsContact C-N 3.28Å; F660-E662 PolarHBondContact O-N 3.16Å; E662-A664 VanDerWaalsContact C-N 3.28Å; E662-A664 PolarHBondContact O-N 3.37Å; E662-F665 PolarHBondContact O-N 3.4Å; E662-H679 IonicContact OE1-CE1 2.71Å; E662-H679 IonicContact OE1-NE2 3.25Å; E662-H679 PolarHBondContact OE1-NE2 3.21Å
663	R	98.5	Very high	97.2	Very high	29 Å²	29	35.8 Å²	35.8	11%	0.109	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.4	-31.6	174.8	-55.7	-62.1	-172.6	-59.6	-15.5	112.1	L432 Q433 A436 L518 G519 I520 F660 I661 F665 I666	L432-R663 PolarHBondContact O-NH2 3.21Å; Q433-R663 PolarHBondContact O-NE 2.97Å; Q433-R663 PolarHBondContact O-NH2 3.1Å; A436-R663 PolarHBondContact O-NH2 2.76Å; L518-R663 WeakPolarHBondContact O-CD 3.43Å; L518-R663 PolarHBondContact O-NE 3.22Å; L518-R663 VanDerWaalsContact O-NE 3.15Å; G519-R663 WeakPolarHBondContact O-CD 3.42Å; G519-R663 PolarHBondContact O-N 3.5Å; G519-R663 PolarHBondContact O-NH1 3.29Å; I520-R663 VanDerWaalsContact CA-NH1 3.33Å; I520-R663 VanDerWaalsContact CG1-CZ 3.48Å; F660-R663 HydrophobicContact CD1-CB 4.42Å; F660-R663 HydrophobicContact CD1-CG 3.87Å; F660-R663 WeakPolarHBondContact O-CA 3.29Å; F660-R663 VanDerWaalsContact O-CB 3.32Å; F660-R663 WeakPolarHBondContact O-CB 3.27Å; F660-R663 PolarHBondContact O-N 3.21Å; I661-R663 VanDerWaalsContact C-N 3.32Å; I661-R663 PolarHBondContact O-N 3.18Å; R663-F665 PolarHBondContact O-N 3.21Å; R663-F665 VanDerWaalsContact O-N 3.1Å; R663-I666 WeakPolarHBondContact O-CB 2.86Å; R663-I666 PolarHBondContact O-N 3.18Å
664	A	98.5	Very high	97.1	Very high	24 Å²	24	32.7 Å²	32.7	20%	0.198	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63.6	-16	179.9	0	0	0	0	0	113	F660 I661 E662 T728 A732 T735	F660-A664 PolarHBondContact O-N 2.94Å; F660-A664 VanDerWaalsContact O-N 3.11Å; I661-A664 WeakPolarHBondContact O-CB 3.44Å; I661-A664 PolarHBondContact O-N 3.49Å; E662-A664 VanDerWaalsContact C-N 3.28Å; E662-A664 PolarHBondContact O-N 3.37Å; A664-T728 WeakPolarHBondContact O-CG2 3.2Å; A664-A732 HydrophobicContact CB-CB 3.63Å; A664-T735 HydrophobicContact CB-CG2 4.02Å
665	F	98.6	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-89.4	4.7	175	-60.8	-60.2	0	0	0	114.8	Y590 L594 F629 I661 E662 R663 H679 V680 I681 T728 A732	Y590-F665 AromaticContact CD1-CE2 3.98Å; Y590-F665 HydrophobicContact CD1-CE2 3.98Å; Y590-F665 AromaticContact CD1-CZ 3.93Å; Y590-F665 HydrophobicContact CD1-CZ 3.93Å; Y590-F665 HydrophobicContact CD2-CE2 4.17Å; Y590-F665 HydrophobicContact CE1-CD2 4.09Å; Y590-F665 HydrophobicContact CE1-CE1 4.39Å; Y590-F665 AromaticContact CE1-CE2 3.43Å; Y590-F665 HydrophobicContact CE1-CE2 3.43Å; Y590-F665 VanDerWaalsContact CE1-CE2 3.43Å; Y590-F665 AromaticContact CE1-CZ 3.6Å; Y590-F665 HydrophobicContact CE1-CZ 3.6Å; Y590-F665 HydrophobicContact CE2-CD2 4.15Å; Y590-F665 AromaticContact CE2-CE2 3.64Å; Y590-F665 HydrophobicContact CE2-CE2 3.64Å; Y590-F665 HydrophobicContact CG-CE2 4.33Å; Y590-F665 AromaticContact CZ-CD2 3.58Å; Y590-F665 AromaticContact CZ-CE2 3.21Å; Y590-F665 AromaticContact CZ-CZ 3.91Å; Y590-F665 WeakPolarHBondContact OH-CD2 3.45Å; Y590-F665 WeakPolarHBondContact OH-CE2 3.42Å; L594-F665 HydrophobicContact CD1-CE1 4.48Å; L594-F665 HydrophobicContact CD1-CZ 4.34Å; F629-F665 HydrophobicContact CD2-CZ 4.39Å; F629-F665 HydrophobicContact CE2-CE1 4.32Å; F629-F665 AromaticContact CE2-CZ 3.63Å; F629-F665 HydrophobicContact CE2-CZ 3.63Å; F629-F665 AromaticContact CZ-CZ 3.97Å; F629-F665 HydrophobicContact CZ-CZ 3.97Å; I661-F665 WeakPolarHBondContact O-CD2 3.49Å; E662-F665 PolarHBondContact O-N 3.4Å; R663-F665 PolarHBondContact O-N 3.21Å; R663-F665 VanDerWaalsContact O-N 3.1Å; F665-H679 WeakPolarHBondContact CB-CE1 3.49Å; F665-H679 WeakPolarHBondContact O-CA 3.37Å; F665-V680 PolarHBondContact O-N 3.19Å; F665-I681 HydrophobicContact CB-CG1 4.06Å; F665-I681 HydrophobicContact CD1-CD1 3.83Å; F665-I681 HydrophobicContact CD1-CG1 3.41Å; F665-I681 VanDerWaalsContact CD1-CG1 3.41Å; F665-I681 HydrophobicContact CD2-CG1 4.42Å; F665-I681 HydrophobicContact CE1-CD1 4.13Å; F665-I681 HydrophobicContact CE1-CG1 3.89Å; F665-I681 HydrophobicContact CG-CG1 3.71Å; F665-T728 HydrophobicContact CD1-CG2 4.23Å; F665-A732 HydrophobicContact CD1-CB 3.94Å; F665-A732 HydrophobicContact CE1-CB 3.43Å; F665-A732 VanDerWaalsContact CE1-CB 3.43Å; F665-A732 HydrophobicContact CE2-CB 4.47Å; F665-A732 HydrophobicContact CZ-CB 3.74Å
666	I	98.5	Very high	96.9	Very high	32 Å²	32	40.3 Å²	40.3	16%	0.164	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-92.4	117.3	179.8	-62.8	-63.2	0	0	0	110.4	G519 R663 R678 H679	G519-I666 VanDerWaalsContact CA-CG1 3.5Å; R663-I666 WeakPolarHBondContact O-CB 2.86Å; R663-I666 PolarHBondContact O-N 3.18Å; I666-R678 WeakPolarHBondContact CA-O 3.45Å; I666-R678 HydrophobicContact CD1-CB 4.2Å; I666-R678 HydrophobicContact CG2-CB 3.69Å; I666-H679 HydrophobicContact CD1-CB 3.89Å
667	D	98.3	Very high	96.9	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	22%	0.224	C	C	.	.			trans	-90	116.4	167.1	-175.2	-19	0	0	0	109.6	L669 G670 R678 V680	D667-L669 PolarHBondContact O-N 2.87Å; D667-L669 VanDerWaalsContact O-N 3.14Å; D667-L669 VanDerWaalsContact OD1-CB 3.31Å; D667-L669 WeakPolarHBondContact OD1-CB 3.21Å; D667-L669 PolarHBondContact OD1-N 3.23Å; D667-G670 PolarHBondContact O-N 3.01Å; D667-R678 PolarHBondContact N-O 3.45Å; D667-R678 WeakPolarHBondContact O-CB 3.41Å; D667-R678 WeakPolarHBondContact O-CG 3.26Å; D667-V680 HydrophobicContact CB-CG2 3.64Å
668	P	97.4	Very high	96.8	Very high	99 Å²	99	40.6 Å²	40.6	64%	0.643	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.6	-179.1	27.1	-35.9	0	0	0	113.8	G670	P668-G670 VanDerWaalsContact C-N 3.27Å
669	L	97.6	Very high	96.8	Very high	141 Å²	141	40.6 Å²	40.6	74%	0.738	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-21	176.4	-58.6	179.9	0	0	0	112.4	D667	D667-L669 PolarHBondContact O-N 2.87Å; D667-L669 VanDerWaalsContact O-N 3.14Å; D667-L669 VanDerWaalsContact OD1-CB 3.31Å; D667-L669 WeakPolarHBondContact OD1-CB 3.21Å; D667-L669 PolarHBondContact OD1-N 3.23Å
670	G	96.6	Very high	96.8	Very high	13 Å²	13	41 Å²	41	13%	0.134	23%	0.234	C	C	.	.			trans	70.5	176.8	-174.7	0	0	0	0	0	113.7	D667 P668 Y677	D667-G670 PolarHBondContact O-N 3.01Å; P668-G670 VanDerWaalsContact C-N 3.27Å; G670-Y677 CarbonylContact C-O 3.48Å; G670-Y677 VanDerWaalsContact CA-O 3.28Å; G670-Y677 WeakPolarHBondContact CA-O 3.45Å
671	L	95	Very high	96.8	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-73.1	155	177.3	-68.3	174	0	0	0	111.5	G673 R674 Y677 A683 P696	L671-G673 PolarHBondContact O-N 3Å; L671-G673 VanDerWaalsContact O-N 3.15Å; L671-R674 HydrophobicContact CB-CB 4.26Å; L671-R674 PolarHBondContact N-O 3.47Å; L671-R674 CarbonylContact O-C 3.35Å; L671-R674 PolarHBondContact O-N 2.93Å; L671-Y677 PolarHBondContact N-O 3.49Å; L671-A683 HydrophobicContact CD1-CB 3.46Å; L671-A683 VanDerWaalsContact CD1-CB 3.46Å; L671-P696 HydrophobicContact CD1-CB 3.95Å; L671-P696 HydrophobicContact CD1-CG 3.62Å; L671-P696 HydrophobicContact CD2-CG 4.17Å
672	P	92.1	Very high	96.6	Very high	60 Å²	60	38.5 Å²	38.5	39%	0.39	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	122.1	177.7	-27.2	35.3	0	0	0	112.4	R674 E717 Q721	P672-R674 PolarHBondContact O-N 2.85Å; P672-R674 VanDerWaalsContact O-N 3.16Å; P672-E717 WeakPolarHBondContact CG-OE1 3.46Å; P672-Q721 VanDerWaalsContact CG-NE2 3.26Å
673	G	89.7	Confident	96.3	Very high	83 Å²	83	38.5 Å²	38.5	86%	0.856	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	2.9	-178.4	0	0	0	0	0	115.6	L671	L671-G673 PolarHBondContact O-N 3Å; L671-G673 VanDerWaalsContact O-N 3.15Å
674	R	93.6	Very high	95.7	Very high	15 Å²	15	37.1 Å²	37.1	6%	0.057	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-138.1	65.8	-173.3	-59.5	-174.5	-66.5	146.9	-6.9	111	N252 L671 P672 F676 Y677 P684 D700	N252-R674 HydrophobicContact CB-CB 4.27Å; N252-R674 HydrophobicContact CB-CG 4.07Å; L671-R674 HydrophobicContact CB-CB 4.26Å; L671-R674 PolarHBondContact N-O 3.47Å; L671-R674 CarbonylContact O-C 3.35Å; L671-R674 PolarHBondContact O-N 2.93Å; P672-R674 PolarHBondContact O-N 2.85Å; P672-R674 VanDerWaalsContact O-N 3.16Å; R674-F676 PolarHBondContact O-N 2.76Å; R674-Y677 HydrophobicContact CB-CD2 3.96Å; R674-Y677 HydrophobicContact CG-CD2 4.46Å; R674-Y677 PolarHBondContact O-N 2.77Å; R674-P684 PolarHBondContact NH1-O 2.8Å; R674-D700 IonicContact CZ-OD2 3.81Å; R674-D700 IonicContact NE-OD2 2.88Å; R674-D700 IonicContact NH2-OD2 3.67Å; R674-D700 PolarHBondContact NH2-OD2 2.94Å
675	K	95.2	Very high	95	Very high	155 Å²	155	36.4 Å²	36.4	67%	0.674	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.3	-171.1	-61	-176.4	179.7	-178.8	0	115.8	R678	K675-R678 PolarHBondContact O-NE 3.24Å
676	F	96.8	Very high	94.4	Very high	37 Å²	37	37.3 Å²	37.3	16%	0.162	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-10.6	-177.4	-60.8	-69.9	0	0	0	113.9	G253 A254 P260 R517 R674	G253-F676 WeakPolarHBondContact O-CB 3.46Å; A254-F676 VanDerWaalsContact CA-CD2 3.5Å; A254-F676 HydrophobicContact CB-CD2 3.7Å; A254-F676 HydrophobicContact CB-CE2 3.75Å; P260-F676 HydrophobicContact CB-CE2 3.81Å; P260-F676 HydrophobicContact CB-CZ 3.72Å; R517-F676 WeakPolarHBondContact CB-O 3.46Å; R517-F676 WeakPolarHBondContact CG-O 3.31Å; R517-F676 VanDerWaalsContact CZ-CD1 3.46Å; R517-F676 VanDerWaalsContact NH2-CG 3.31Å; R674-F676 PolarHBondContact O-N 2.76Å
677	Y	97.4	Very high	93.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	22%	0.218	C	C	.	.			trans	-91.1	107.1	164.3	-62.8	-33.5	0	0	0	108.4	N252 G253 E512 Q516 G670 L671 R674 P684 K689	N252-Y677 HydrophobicContact CB-CD2 4.35Å; N252-Y677 HydrophobicContact CB-CE2 3.87Å; G253-Y677 PolarHBondContact N-OH 3.31Å; E512-Y677 HydrophobicContact CG-CE1 4.03Å; E512-Y677 WeakPolarHBondContact OE1-CE1 3.35Å; E512-Y677 PolarHBondContact OE1-OH 3.26Å; Q516-Y677 HydrophobicContact CB-CD1 3.92Å; Q516-Y677 HydrophobicContact CB-CE1 4.45Å; G670-Y677 CarbonylContact C-O 3.48Å; G670-Y677 VanDerWaalsContact CA-O 3.28Å; G670-Y677 WeakPolarHBondContact CA-O 3.45Å; L671-Y677 PolarHBondContact N-O 3.49Å; R674-Y677 HydrophobicContact CB-CD2 3.96Å; R674-Y677 HydrophobicContact CG-CD2 4.46Å; R674-Y677 PolarHBondContact O-N 2.77Å; Y677-P684 HydrophobicContact CD1-CG 4.47Å; Y677-P684 HydrophobicContact CE1-CG 3.87Å; Y677-P684 HydrophobicContact CE2-CB 4.14Å; Y677-P684 HydrophobicContact CE2-CG 4.02Å; Y677-K689 WeakPolarHBondContact OH-CE 3.48Å
678	R	98.1	Very high	92.7	Very high	63 Å²	63	37.3 Å²	37.3	24%	0.238	22%	0.216	C	C	.	.			trans	-113.5	-19.2	-171.5	-64.1	-178.2	178.6	166.4	-2.1	112.9	Q516 I666 D667 K675 V680	Q516-R678 PolarHBondContact O-N 3.03Å; I666-R678 WeakPolarHBondContact CA-O 3.45Å; I666-R678 HydrophobicContact CD1-CB 4.2Å; I666-R678 HydrophobicContact CG2-CB 3.69Å; D667-R678 PolarHBondContact N-O 3.45Å; D667-R678 WeakPolarHBondContact O-CB 3.41Å; D667-R678 WeakPolarHBondContact O-CG 3.26Å; K675-R678 PolarHBondContact O-NE 3.24Å; R678-V680 PolarHBondContact O-N 3.48Å
679	H	98.3	Very high	91.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-68.2	118.8	178.3	-165.3	-26.6	0	0	0	110.4	F515 Q516 Y590 E662 F665 I666 I681 F682	F515-H679 AromaticContact CE2-CD2 3.89Å; F515-H679 AromaticContact CE2-NE2 3.78Å; F515-H679 AromaticContact CZ-CD2 3.77Å; F515-H679 AromaticContact CZ-NE2 3.66Å; Q516-H679 PolarHBondContact O-N 2.9Å; Y590-H679 PolarHBondContact OH-CE1 3.22Å; E662-H679 IonicContact OE1-CE1 2.71Å; E662-H679 IonicContact OE1-NE2 3.25Å; E662-H679 PolarHBondContact OE1-NE2 3.21Å; F665-H679 WeakPolarHBondContact CB-CE1 3.49Å; F665-H679 WeakPolarHBondContact O-CA 3.37Å; I666-H679 HydrophobicContact CD1-CB 3.89Å; H679-I681 PolarHBondContact ND1-N 2.85Å; H679-F682 CarbonylContact C-O 3.55Å; H679-F682 VanDerWaalsContact CB-O 3.24Å; H679-F682 WeakPolarHBondContact CB-O 3.5Å; H679-F682 AromaticContact CE1-CD2 3.56Å; H679-F682 PolarHBondContact ND1-N 2.64Å; H679-F682 AromaticContact NE2-CD2 3.59Å
680	V	97.9	Very high	90.3	Very high	10 Å²	10	31.2 Å²	31.2	6%	0.061	17%	0.172	C	C	.	.	S	Bend	trans	-79.7	-29.2	-173.3	177	0	0	0	0	112.1	F665 D667 R678 P696 V724 A725 T728	F665-V680 PolarHBondContact O-N 3.19Å; D667-V680 HydrophobicContact CB-CG2 3.64Å; R678-V680 PolarHBondContact O-N 3.48Å; V680-P696 WeakPolarHBondContact O-CD 3.11Å; V680-V724 HydrophobicContact CG1-CG1 4.38Å; V680-V724 HydrophobicContact CG2-CG1 4.47Å; V680-A725 HydrophobicContact CG1-CB 4.26Å; V680-T728 HydrophobicContact CB-CG2 3.95Å; V680-T728 HydrophobicContact CG1-CG2 4.37Å; V680-T728 HydrophobicContact CG2-CG2 3.95Å
681	I	97.7	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-81.6	-41.1	178.1	-46.8	-52.3	0	0	0	111.6	Y590 L594 Y597 F665 H679 S694 F695 V729	Y590-I681 HydrophobicContact CE1-CG1 4.42Å; Y590-I681 HydrophobicContact CE1-CG2 4.3Å; L594-I681 HydrophobicContact CD2-CD1 3.67Å; L594-I681 HydrophobicContact CD2-CG1 4.09Å; L594-I681 HydrophobicContact CD2-CG2 3.85Å; Y597-I681 HydrophobicContact CD2-CG2 3.94Å; Y597-I681 HydrophobicContact CE2-CG2 4.16Å; F665-I681 HydrophobicContact CB-CG1 4.06Å; F665-I681 HydrophobicContact CD1-CD1 3.83Å; F665-I681 HydrophobicContact CD1-CG1 3.41Å; F665-I681 VanDerWaalsContact CD1-CG1 3.41Å; F665-I681 HydrophobicContact CD2-CG1 4.42Å; F665-I681 HydrophobicContact CE1-CD1 4.13Å; F665-I681 HydrophobicContact CE1-CG1 3.89Å; F665-I681 HydrophobicContact CG-CG1 3.71Å; H679-I681 PolarHBondContact ND1-N 2.85Å; I681-S694 CarbonylContact O-C 3.51Å; I681-S694 WeakPolarHBondContact O-CA 3.37Å; I681-F695 HydrophobicContact CD1-CD1 4.26Å; I681-F695 HydrophobicContact CD1-CE1 3.57Å; I681-F695 HydrophobicContact CD1-CZ 4.24Å; I681-F695 PolarHBondContact O-N 3.08Å; I681-V729 HydrophobicContact CD1-CG2 3.69Å
682	F	95.1	Very high	88.4	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.1	-176.8	-58	-67.9	0	0	0	110.2	P458 K504 F515 Q516 Y590 Y597 H679 E693	P458-F682 HydrophobicContact CG-CZ 4.2Å; K504-F682 HydrophobicContact CB-CD1 4.31Å; K504-F682 HydrophobicContact CB-CE1 4.32Å; K504-F682 HydrophobicContact CD-CD1 3.86Å; K504-F682 HydrophobicContact CD-CE1 3.63Å; K504-F682 HydrophobicContact CG-CD1 4.22Å; K504-F682 HydrophobicContact CG-CE1 3.83Å; F515-F682 HydrophobicContact CE1-CB 3.75Å; F515-F682 AromaticContact CE1-CD2 3.92Å; F515-F682 HydrophobicContact CE1-CD2 3.92Å; F515-F682 HydrophobicContact CE1-CG 4.05Å; F515-F682 HydrophobicContact CZ-CB 4.2Å; F515-F682 AromaticContact CZ-CD2 3.46Å; F515-F682 HydrophobicContact CZ-CD2 3.46Å; F515-F682 VanDerWaalsContact CZ-CD2 3.46Å; F515-F682 HydrophobicContact CZ-CE2 4.09Å; F515-F682 HydrophobicContact CZ-CG 4.06Å; Q516-F682 PolarHBondContact OE1-O 3.16Å; Y590-F682 HydrophobicContact CE1-CE2 4.36Å; Y590-F682 AromaticContact CZ-CE2 3.89Å; Y590-F682 VanDerWaalsContact OH-CE2 3.31Å; Y590-F682 WeakPolarHBondContact OH-CE2 3.34Å; Y597-F682 HydrophobicContact CD2-CE1 4.38Å; Y597-F682 AromaticContact CE2-CE1 3.46Å; Y597-F682 HydrophobicContact CE2-CE1 3.46Å; Y597-F682 VanDerWaalsContact CE2-CE1 3.46Å; Y597-F682 AromaticContact CE2-CZ 3.5Å; Y597-F682 HydrophobicContact CE2-CZ 3.5Å; Y597-F682 VanDerWaalsContact CE2-CZ 3.5Å; Y597-F682 AromaticContact CZ-CE1 3.61Å; Y597-F682 AromaticContact CZ-CZ 3.89Å; Y597-F682 WeakPolarHBondContact OH-CE1 3.12Å; H679-F682 CarbonylContact C-O 3.55Å; H679-F682 VanDerWaalsContact CB-O 3.24Å; H679-F682 WeakPolarHBondContact CB-O 3.5Å; H679-F682 AromaticContact CE1-CD2 3.56Å; H679-F682 PolarHBondContact ND1-N 2.64Å; H679-F682 AromaticContact NE2-CD2 3.59Å; F682-E693 WeakPolarHBondContact CA-O 3.42Å
683	A	91.6	Very high	88.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163.5	159.9	0	0	0	0	0	109.9	L671 S685 E693 P696	L671-A683 HydrophobicContact CD1-CB 3.46Å; L671-A683 VanDerWaalsContact CD1-CB 3.46Å; A683-S685 PolarHBondContact O-N 2.64Å; A683-E693 PolarHBondContact N-O 3.45Å; A683-E693 PolarHBondContact O-N 3.45Å; A683-P696 HydrophobicContact CB-CB 3.85Å; A683-P696 HydrophobicContact CB-CG 3.53Å
684	P	86.7	Confident	88.4	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	137.7	164.7	-27.4	38.9	0	0	0	111	R674 Y677 K689 A691	R674-P684 PolarHBondContact NH1-O 2.8Å; Y677-P684 HydrophobicContact CD1-CG 4.47Å; Y677-P684 HydrophobicContact CE1-CG 3.87Å; Y677-P684 HydrophobicContact CE2-CB 4.14Å; Y677-P684 HydrophobicContact CE2-CG 4.02Å; P684-K689 HydrophobicContact CB-CG 4.2Å; P684-K689 WeakPolarHBondContact CB-O 3.26Å; P684-A691 WeakPolarHBondContact CA-O 3.47Å
685	S	83.1	Confident	88.6	Confident	8 Å²	8	27.2 Å²	27.2	6%	0.056	13%	0.132	C	C	.	.			trans	-57.7	139.1	171.5	178.6	0	0	0	0	110.1	A683 H687 N688 A691	A683-S685 PolarHBondContact O-N 2.64Å; S685-H687 PolarHBondContact O-N 2.98Å; S685-H687 VanDerWaalsContact O-N 3.13Å; S685-H687 PolarHBondContact OG-N 3.32Å; S685-N688 WeakPolarHBondContact CB-O 3.05Å; S685-N688 PolarHBondContact N-O 2.87Å; S685-N688 CarbonylContact O-C 3.49Å; S685-N688 PolarHBondContact O-N 2.91Å; S685-N688 PolarHBondContact OG-N 3.05Å; S685-A691 PolarHBondContact N-O 2.95Å
686	S	85.1	Confident	88.6	Confident	20 Å²	20	19.9 Å²	19.9	14%	0.14	10%	0.1	C	C	.	.	S	Bend	trans	-63	-16.2	172.4	63.7	0	0	0	0	113.2	N202 D700	N202-S686 PolarHBondContact ND2-O 3.14Å; S686-D700 WeakPolarHBondContact CB-OD1 3.22Å; S686-D700 WeakPolarHBondContact CB-OD2 3.37Å; S686-D700 VanDerWaalsContact OG-CG 3.27Å; S686-D700 PolarHBondContact OG-OD1 3.48Å
687	H	82.4	Confident	88.6	Confident	37 Å²	37	18.4 Å²	18.4	17%	0.171	10%	0.096	C	C	.	.	S	Bend	trans	-106.7	-14	179.5	-54.5	-73.3	0	0	0	113.6	T172 S685 F703	T172-H687 PolarHBondContact OG1-ND1 2.94Å; S685-H687 PolarHBondContact O-N 2.98Å; S685-H687 VanDerWaalsContact O-N 3.13Å; S685-H687 PolarHBondContact OG-N 3.32Å; H687-F703 AromaticContact CD2-CD2 3.73Å; H687-F703 AromaticContact CD2-CE2 3.79Å; H687-F703 AromaticContact CD2-CG 3.93Å; H687-F703 AromaticContact CE1-CD1 3.35Å; H687-F703 WeakPolarHBondContact CE1-CD1 3.49Å; H687-F703 AromaticContact CE1-CE1 3.24Å; H687-F703 WeakPolarHBondContact CE1-CE1 3.45Å; H687-F703 AromaticContact CE1-CG 3.86Å; H687-F703 AromaticContact CE1-CZ 3.65Å; H687-F703 AromaticContact ND1-CE1 3.9Å; H687-F703 AromaticContact ND1-CZ 3.91Å; H687-F703 AromaticContact NE2-CD1 3.19Å; H687-F703 WeakPolarHBondContact NE2-CD1 3.41Å; H687-F703 AromaticContact NE2-CD2 3.49Å; H687-F703 WeakPolarHBondContact NE2-CD2 3.21Å; H687-F703 AromaticContact NE2-CE1 3.48Å; H687-F703 WeakPolarHBondContact NE2-CE1 3.37Å; H687-F703 AromaticContact NE2-CE2 3.75Å; H687-F703 AromaticContact NE2-CG 3.2Å; H687-F703 WeakPolarHBondContact NE2-CG 3.38Å; H687-F703 AromaticContact NE2-CZ 3.75Å
688	N	80.5	Confident	88.6	Confident	28 Å²	28	18.3 Å²	18.3	15%	0.15	10%	0.095	C	C	.	.			trans	-154.3	101.8	175.9	-176.7	5.9	0	0	0	111.8	K197 I198 F199 S685 Y690 A691	K197-N688 PolarHBondContact O-ND2 3.35Å; I198-N688 WeakPolarHBondContact CA-OD1 3.3Å; I198-N688 HydrophobicContact CB-CB 4.2Å; I198-N688 HydrophobicContact CG2-CB 3.76Å; F199-N688 PolarHBondContact N-OD1 3.13Å; S685-N688 WeakPolarHBondContact CB-O 3.05Å; S685-N688 PolarHBondContact N-O 2.87Å; S685-N688 CarbonylContact O-C 3.49Å; S685-N688 PolarHBondContact O-N 2.91Å; S685-N688 PolarHBondContact OG-N 3.05Å; N688-Y690 PolarHBondContact O-N 2.75Å; N688-Y690 PolarHBondContact OD1-N 2.68Å; N688-Y690 VanDerWaalsContact OD1-N 3.15Å; N688-A691 HydrophobicContact CB-CB 4.19Å; N688-A691 PolarHBondContact O-N 2.68Å
689	K	74	Confident	88.4	Confident	20 Å²	20	18.2 Å²	18.2	9%	0.087	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.6	-178.8	-172.4	171.9	171.2	172.8	0	113.8	F199 N202 S507 E512 Y677 P684	F199-K689 HydrophobicContact CB-CB 3.97Å; F199-K689 HydrophobicContact CD1-CB 3.86Å; F199-K689 HydrophobicContact CD1-CD 4.22Å; F199-K689 HydrophobicContact CE1-CD 4.3Å; F199-K689 HydrophobicContact CG-CB 4.16Å; N202-K689 PolarHBondContact OD1-N 2.75Å; N202-K689 VanDerWaalsContact OD1-N 3.09Å; S507-K689 WeakPolarHBondContact CB-O 3.16Å; S507-K689 PolarHBondContact N-O 2.8Å; S507-K689 WeakPolarHBondContact OG-CE 3.23Å; E512-K689 WeakPolarHBondContact OE1-CE 3.4Å; E512-K689 IonicContact OE1-NZ 3.67Å; E512-K689 PolarHBondContact OE1-NZ 3.01Å; E512-K689 IonicContact OE2-NZ 3.69Å; E512-K689 PolarHBondContact OE2-NZ 3.49Å; Y677-K689 WeakPolarHBondContact OH-CE 3.48Å; P684-K689 HydrophobicContact CB-CG 4.2Å; P684-K689 WeakPolarHBondContact CB-O 3.26Å
690	Y	70.1	Confident	88.1	Confident	91 Å²	91	19.8 Å²	19.8	36%	0.357	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-22	179.6	-61.8	-43.8	0	0	0	114.3	F199 N688	F199-Y690 VanDerWaalsContact CA-CE2 3.42Å; F199-Y690 HydrophobicContact CB-CD1 4.49Å; F199-Y690 HydrophobicContact CB-CD2 3.8Å; F199-Y690 HydrophobicContact CB-CE1 4.36Å; F199-Y690 HydrophobicContact CB-CE2 3.65Å; F199-Y690 HydrophobicContact CB-CG 4.24Å; F199-Y690 HydrophobicContact CD2-CE1 4.06Å; F199-Y690 AromaticContact CD2-CE2 3.97Å; F199-Y690 HydrophobicContact CD2-CE2 3.97Å; F199-Y690 AromaticContact CD2-CZ 3.52Å; F199-Y690 WeakPolarHBondContact CD2-OH 3.47Å; F199-Y690 HydrophobicContact CG-CE1 4.5Å; F199-Y690 HydrophobicContact CG-CE2 4.3Å; N688-Y690 PolarHBondContact O-N 2.75Å; N688-Y690 PolarHBondContact OD1-N 2.68Å; N688-Y690 VanDerWaalsContact OD1-N 3.15Å
691	A	75.3	Confident	88	Confident	29 Å²	29	20 Å²	20	24%	0.24	11%	0.107	C	C	.	.	S	Bend	trans	-89.2	124.1	179.7	0	0	0	0	0	110.2	P684 S685 N688	P684-A691 WeakPolarHBondContact CA-O 3.47Å; S685-A691 PolarHBondContact N-O 2.95Å; N688-A691 HydrophobicContact CB-CB 4.19Å; N688-A691 PolarHBondContact O-N 2.68Å
692	G	76.5	Confident	87.8	Confident	14 Å²	14	20.4 Å²	20.4	14%	0.144	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.4	166.4	0	0	0	0	0	110.1	K504 G506	K504-G692 WeakPolarHBondContact CE-O 3.41Å; G506-G692 VanDerWaalsContact CA-CA 3.5Å
693	E	88.8	Confident	87.6	Confident	44 Å²	44	22.9 Å²	22.9	21%	0.206	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.6	173.2	-71.5	-61.5	160.8	0	0	110.9	F682 A683	F682-E693 WeakPolarHBondContact CA-O 3.42Å; A683-E693 PolarHBondContact N-O 3.45Å; A683-E693 PolarHBondContact O-N 3.45Å
694	S	93.4	Very high	87.6	Confident	10 Å²	10	25.1 Å²	25.1	7%	0.07	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.4	175.4	56.8	0	0	0	0	110.9	I681	I681-S694 CarbonylContact O-C 3.51Å; I681-S694 WeakPolarHBondContact O-CA 3.37Å
695	F	96.8	Very high	88	Confident	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.132	C	C	.	.	S	Bend	trans	49.5	53.8	-170.5	-61.3	-64.6	0	0	0	112.7	L594 Y597 I601 L622 I681 G697 I698 Y699 A725 V729	L594-F695 HydrophobicContact CD2-CE1 4.5Å; L594-F695 HydrophobicContact CD2-CZ 3.91Å; Y597-F695 VanDerWaalsContact CB-CE2 3.48Å; I601-F695 HydrophobicContact CG2-CD2 4.06Å; L622-F695 HydrophobicContact CD1-CE1 4.01Å; L622-F695 HydrophobicContact CD1-CZ 4.02Å; L622-F695 HydrophobicContact CD2-CE2 4.48Å; L622-F695 HydrophobicContact CD2-CZ 4.43Å; I681-F695 HydrophobicContact CD1-CD1 4.26Å; I681-F695 HydrophobicContact CD1-CE1 3.57Å; I681-F695 HydrophobicContact CD1-CZ 4.24Å; I681-F695 PolarHBondContact O-N 3.08Å; F695-G697 PolarHBondContact O-N 3.13Å; F695-G697 VanDerWaalsContact O-N 3.16Å; F695-I698 HydrophobicContact CB-CB 4.4Å; F695-I698 HydrophobicContact CB-CD1 4Å; F695-I698 HydrophobicContact CB-CG1 4.29Å; F695-I698 HydrophobicContact CD1-CD1 4.5Å; F695-I698 HydrophobicContact CG-CD1 4.32Å; F695-I698 PolarHBondContact O-N 2.9Å; F695-Y699 PolarHBondContact O-N 3.1Å; F695-A725 HydrophobicContact CD1-CB 3.8Å; F695-A725 HydrophobicContact CE1-CB 4.01Å; F695-V729 HydrophobicContact CE1-CG2 4.25Å
696	P	95.5	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56	-33.9	-173	25.4	-38.8	0	0	0	113.6	L671 V680 A683 Y699 D700	L671-P696 HydrophobicContact CD1-CB 3.95Å; L671-P696 HydrophobicContact CD1-CG 3.62Å; L671-P696 HydrophobicContact CD2-CG 4.17Å; V680-P696 WeakPolarHBondContact O-CD 3.11Å; A683-P696 HydrophobicContact CB-CB 3.85Å; A683-P696 HydrophobicContact CB-CG 3.53Å; P696-Y699 PolarHBondContact O-N 3.01Å; P696-D700 WeakPolarHBondContact O-CB 3.32Å; P696-D700 VanDerWaalsContact O-CG 3.31Å; P696-D700 PolarHBondContact O-N 3.45Å
697	G	95.9	Very high	88.7	Confident	6 Å²	6	33.1 Å²	33.1	6%	0.062	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-45.7	175.9	0	0	0	0	0	112.6	F695 A701 Q721	F695-G697 PolarHBondContact O-N 3.13Å; F695-G697 VanDerWaalsContact O-N 3.16Å; G697-A701 VanDerWaalsContact O-CB 3.31Å; G697-A701 WeakPolarHBondContact O-CB 3.38Å; G697-A701 PolarHBondContact O-N 3.19Å; G697-A701 VanDerWaalsContact O-N 3.16Å; G697-Q721 WeakPolarHBondContact O-CG 3.24Å
698	I	96.9	Very high	89.2	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-43	177.6	-50.8	175.6	0	0	0	110	I601 F619 L622 F695 A701 M702 Q721 I722 A725	I601-I698 HydrophobicContact CD1-CB 4.32Å; I601-I698 HydrophobicContact CD1-CG2 4.17Å; I601-I698 HydrophobicContact CG1-CB 3.98Å; I601-I698 HydrophobicContact CG1-CG2 3.65Å; F619-I698 HydrophobicContact CE1-CG2 4.29Å; F619-I698 HydrophobicContact CZ-CG2 4.3Å; L622-I698 HydrophobicContact CD2-CD1 4Å; F695-I698 HydrophobicContact CB-CB 4.4Å; F695-I698 HydrophobicContact CB-CD1 4Å; F695-I698 HydrophobicContact CB-CG1 4.29Å; F695-I698 HydrophobicContact CD1-CD1 4.5Å; F695-I698 HydrophobicContact CG-CD1 4.32Å; F695-I698 PolarHBondContact O-N 2.9Å; I698-A701 PolarHBondContact O-N 3.5Å; I698-M702 HydrophobicContact CG2-CE 3.95Å; I698-M702 HydrophobicContact CG2-SD 4.29Å; I698-M702 WeakPolarHBondContact O-CG 3.22Å; I698-M702 PolarHBondContact O-N 3.45Å; I698-M702 VanDerWaalsContact O-N 3.14Å; I698-Q721 HydrophobicContact CG1-CB 3.93Å; I698-I722 HydrophobicContact CD1-CB 4.48Å; I698-I722 HydrophobicContact CD1-CG1 3.92Å; I698-I722 HydrophobicContact CG1-CG1 4.21Å; I698-I722 HydrophobicContact CG2-CG1 4.1Å; I698-A725 HydrophobicContact CD1-CB 3.9Å
699	Y	95	Very high	89.9	Confident	60 Å²	60	40.4 Å²	40.4	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-51.7	179.4	-177.4	-85.9	0	0	0	112	I601 L604 F695 P696 A701 M702 F703	I601-Y699 HydrophobicContact CD1-CD2 4.38Å; L604-Y699 HydrophobicContact CD2-CD2 3.85Å; L604-Y699 HydrophobicContact CD2-CE2 3.96Å; F695-Y699 PolarHBondContact O-N 3.1Å; P696-Y699 PolarHBondContact O-N 3.01Å; Y699-A701 VanDerWaalsContact C-N 3.33Å; Y699-A701 PolarHBondContact O-N 3.24Å; Y699-M702 PolarHBondContact O-N 3.49Å; Y699-F703 HydrophobicContact CE1-CD2 4.35Å; Y699-F703 PolarHBondContact O-N 3.49Å
700	D	92.7	Very high	90.9	Very high	34 Å²	34	44.2 Å²	44.2	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-37.6	-179.8	-73.9	-15.3	0	0	0	111.8	R674 S686 P696 M702 F703	R674-D700 IonicContact CZ-OD2 3.81Å; R674-D700 IonicContact NE-OD2 2.88Å; R674-D700 IonicContact NH2-OD2 3.67Å; R674-D700 PolarHBondContact NH2-OD2 2.94Å; S686-D700 WeakPolarHBondContact CB-OD1 3.22Å; S686-D700 WeakPolarHBondContact CB-OD2 3.37Å; S686-D700 VanDerWaalsContact OG-CG 3.27Å; S686-D700 PolarHBondContact OG-OD1 3.48Å; P696-D700 WeakPolarHBondContact O-CB 3.32Å; P696-D700 VanDerWaalsContact O-CG 3.31Å; P696-D700 PolarHBondContact O-N 3.45Å; D700-M702 VanDerWaalsContact C-N 3.27Å; D700-M702 PolarHBondContact O-N 3.44Å; D700-F703 PolarHBondContact O-N 3.46Å
701	A	94.4	Very high	92.2	Very high	14 Å²	14	42.1 Å²	42.1	12%	0.116	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-32.1	177.6	0	0	0	0	0	112.6	G697 I698 Y699 E717 V718 Q721	G697-A701 VanDerWaalsContact O-CB 3.31Å; G697-A701 WeakPolarHBondContact O-CB 3.38Å; G697-A701 PolarHBondContact O-N 3.19Å; G697-A701 VanDerWaalsContact O-N 3.16Å; I698-A701 PolarHBondContact O-N 3.5Å; Y699-A701 VanDerWaalsContact C-N 3.33Å; Y699-A701 PolarHBondContact O-N 3.24Å; A701-E717 HydrophobicContact CB-CG 3.97Å; A701-V718 HydrophobicContact CB-CB 4.5Å; A701-V718 HydrophobicContact CB-CG2 3.77Å; A701-Q721 HydrophobicContact CB-CG 4.3Å
702	M	94.1	Very high	93.2	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.044	26%	0.26	C	S	.	.	H	α-helix	trans	-88.1	-12.3	177.1	-65.8	-171.7	-52.1	0	0	113.8	I601 L604 A605 I698 Y699 D700 D704 I705 V718	I601-M702 HydrophobicContact CD1-CE 3.4Å; I601-M702 HydrophobicContact CG1-CE 3.81Å; L604-M702 HydrophobicContact CB-CE 4.32Å; L604-M702 HydrophobicContact CD2-CE 3.84Å; L604-M702 HydrophobicContact CG-CE 4.05Å; A605-M702 HydrophobicContact CB-CE 4.35Å; A605-M702 HydrophobicContact CB-SD 3.63Å; I698-M702 HydrophobicContact CG2-CE 3.95Å; I698-M702 HydrophobicContact CG2-SD 4.29Å; I698-M702 WeakPolarHBondContact O-CG 3.22Å; I698-M702 PolarHBondContact O-N 3.45Å; I698-M702 VanDerWaalsContact O-N 3.14Å; Y699-M702 PolarHBondContact O-N 3.49Å; D700-M702 VanDerWaalsContact C-N 3.27Å; D700-M702 PolarHBondContact O-N 3.44Å; M702-D704 PolarHBondContact O-N 3.12Å; M702-I705 WeakPolarHBondContact O-CB 3.09Å; M702-I705 WeakPolarHBondContact O-CG2 3.45Å; M702-I705 PolarHBondContact O-N 2.96Å; M702-V718 HydrophobicContact CG-CG1 4.07Å; M702-V718 HydrophobicContact CG-CG2 3.73Å; M702-V718 HydrophobicContact SD-CG1 4.39Å
703	F	91.4	Very high	94.1	Very high	53 Å²	53	50.1 Å²	50.1	23%	0.232	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	125	-176.7	-176.1	-86	0	0	0	111.5	T172 F176 H687 Y699 D700 I705	T172-F703 HydrophobicContact CG2-CE1 3.94Å; T172-F703 HydrophobicContact CG2-CZ 4.05Å; F176-F703 HydrophobicContact CE2-CE1 4.05Å; F176-F703 HydrophobicContact CE2-CZ 4.44Å; F176-F703 HydrophobicContact CZ-CE1 4.43Å; H687-F703 AromaticContact CD2-CD2 3.73Å; H687-F703 AromaticContact CD2-CE2 3.79Å; H687-F703 AromaticContact CD2-CG 3.93Å; H687-F703 AromaticContact CE1-CD1 3.35Å; H687-F703 WeakPolarHBondContact CE1-CD1 3.49Å; H687-F703 AromaticContact CE1-CE1 3.24Å; H687-F703 WeakPolarHBondContact CE1-CE1 3.45Å; H687-F703 AromaticContact CE1-CG 3.86Å; H687-F703 AromaticContact CE1-CZ 3.65Å; H687-F703 AromaticContact ND1-CE1 3.9Å; H687-F703 AromaticContact ND1-CZ 3.91Å; H687-F703 AromaticContact NE2-CD1 3.19Å; H687-F703 WeakPolarHBondContact NE2-CD1 3.41Å; H687-F703 AromaticContact NE2-CD2 3.49Å; H687-F703 WeakPolarHBondContact NE2-CD2 3.21Å; H687-F703 AromaticContact NE2-CE1 3.48Å; H687-F703 WeakPolarHBondContact NE2-CE1 3.37Å; H687-F703 AromaticContact NE2-CE2 3.75Å; H687-F703 AromaticContact NE2-CG 3.2Å; H687-F703 WeakPolarHBondContact NE2-CG 3.38Å; H687-F703 AromaticContact NE2-CZ 3.75Å; Y699-F703 HydrophobicContact CE1-CD2 4.35Å; Y699-F703 PolarHBondContact O-N 3.49Å; D700-F703 PolarHBondContact O-N 3.46Å; F703-I705 PolarHBondContact O-N 2.9Å; F703-I705 VanDerWaalsContact O-N 3.14Å
704	D	91.1	Very high	94.5	Very high	48 Å²	48	48.7 Å²	48.7	26%	0.257	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	34.2	-177.7	-167.7	38.6	0	0	0	112.6	F176 R180 M702 E706 S707	F176-D704 HydrophobicContact CE2-CB 4.07Å; F176-D704 WeakPolarHBondContact CE2-OD2 2.89Å; F176-D704 HydrophobicContact CZ-CB 4.43Å; F176-D704 VanDerWaalsContact CZ-OD2 3.28Å; F176-D704 WeakPolarHBondContact CZ-OD2 3.24Å; R180-D704 IonicContact CZ-OD1 3.27Å; R180-D704 IonicContact CZ-OD2 2.8Å; R180-D704 IonicContact NH1-OD1 3.5Å; R180-D704 PolarHBondContact NH1-OD1 2.88Å; R180-D704 IonicContact NH1-OD2 3.07Å; R180-D704 PolarHBondContact NH1-OD2 3.24Å; R180-D704 IonicContact NH2-OD1 3.54Å; R180-D704 IonicContact NH2-OD2 2.75Å; R180-D704 PolarHBondContact NH2-OD2 3.25Å; M702-D704 PolarHBondContact O-N 3.12Å; D704-E706 PolarHBondContact O-N 2.94Å; D704-S707 PolarHBondContact O-N 2.98Å; D704-S707 VanDerWaalsContact O-N 3.13Å; D704-S707 VanDerWaalsContact OD1-CB 3.28Å; D704-S707 WeakPolarHBondContact OD1-CB 3.38Å; D704-S707 PolarHBondContact OD1-OG 2.75Å; D704-S707 WeakPolarHBondContact OD2-CB 3.47Å
705	I	94.1	Very high	94.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.3	-33	-173	-168	160.8	0	0	0	112.6	M702 F703 S707 K708 Q711 A714 W715 V718	M702-I705 WeakPolarHBondContact O-CB 3.09Å; M702-I705 WeakPolarHBondContact O-CG2 3.45Å; M702-I705 PolarHBondContact O-N 2.96Å; F703-I705 PolarHBondContact O-N 2.9Å; F703-I705 VanDerWaalsContact O-N 3.14Å; I705-S707 PolarHBondContact O-N 2.72Å; I705-K708 WeakPolarHBondContact O-CB 3.38Å; I705-K708 WeakPolarHBondContact O-CG 3.42Å; I705-K708 PolarHBondContact O-N 3.45Å; I705-K708 VanDerWaalsContact O-N 3.16Å; I705-Q711 PolarHBondContact O-NE2 3.25Å; I705-A714 HydrophobicContact CD1-CB 4.22Å; I705-A714 HydrophobicContact CG1-CB 4Å; I705-W715 HydrophobicContact CD1-CD2 3.58Å; I705-W715 HydrophobicContact CD1-CE3 3.81Å; I705-W715 HydrophobicContact CD1-CG 4.14Å; I705-W715 HydrophobicContact CD1-CH2 3.95Å; I705-W715 HydrophobicContact CD1-CZ2 3.71Å; I705-W715 HydrophobicContact CD1-CZ3 3.99Å; I705-W715 HydrophobicContact CG1-CZ2 4.24Å; I705-W715 HydrophobicContact CG2-CH2 4.42Å; I705-W715 HydrophobicContact CG2-CZ2 4.07Å; I705-V718 HydrophobicContact CD1-CG2 3.76Å
706	E	92.5	Very high	94.8	Very high	130 Å²	130	52 Å²	52	61%	0.607	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.8	-27.9	179.7	-62.3	-178.9	170.5	0	0	112.5	H608 D704 K708 Q711	H608-E706 IonicContact CE1-OE1 3.99Å; H608-E706 PolarHBondContact CE1-OE1 2.79Å; H608-E706 IonicContact ND1-OE1 3.06Å; H608-E706 PolarHBondContact ND1-OE1 3.37Å; D704-E706 PolarHBondContact O-N 2.94Å; E706-K708 VanDerWaalsContact C-N 3.34Å; E706-Q711 PolarHBondContact O-NE2 2.76Å
707	S	92.3	Very high	94.9	Very high	65 Å²	65	54.8 Å²	54.8	46%	0.455	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-88.6	1.5	-179.5	-51.1	0	0	0	0	113.2	R180 D704 I705	R180-S707 PolarHBondContact NH1-OG 3.09Å; R180-S707 VanDerWaalsContact NH1-OG 3.1Å; D704-S707 PolarHBondContact O-N 2.98Å; D704-S707 VanDerWaalsContact O-N 3.13Å; D704-S707 VanDerWaalsContact OD1-CB 3.28Å; D704-S707 WeakPolarHBondContact OD1-CB 3.38Å; D704-S707 PolarHBondContact OD1-OG 2.75Å; D704-S707 WeakPolarHBondContact OD2-CB 3.47Å; I705-S707 PolarHBondContact O-N 2.72Å
708	K	92.4	Very high	94.9	Very high	103 Å²	103	54.5 Å²	54.5	45%	0.448	29%	0.288	S	S	.	.			trans	-76.2	131.5	179.7	-61.3	-70.3	-177.8	174.3	0	110.9	I705 E706 Q711 A714	I705-K708 WeakPolarHBondContact O-CB 3.38Å; I705-K708 WeakPolarHBondContact O-CG 3.42Å; I705-K708 PolarHBondContact O-N 3.45Å; I705-K708 VanDerWaalsContact O-N 3.16Å; E706-K708 VanDerWaalsContact C-N 3.34Å; K708-Q711 PolarHBondContact O-NE2 3.19Å; K708-A714 HydrophobicContact CB-CB 4.06Å; K708-A714 HydrophobicContact CG-CB 4.1Å
709	A	93.8	Very high	95	Very high	114 Å²	114	57.6 Å²	57.6	94%	0.942	30%	0.302	S	S	*	.	S	Bend	trans	-63.7	-43.9	179.2	0	0	0	0	0	112.9
710	D	95.9	Very high	95.2	Very high	100 Å²	100	60.2 Å²	60.2	54%	0.535	31%	0.311	S	S	.	.			trans	-97.2	90.2	172.9	178.7	12.5	0	0	0	110.4	R712 G713 A714	D710-R712 VanDerWaalsContact C-N 3.33Å; D710-R712 PolarHBondContact O-N 3.38Å; D710-R712 PolarHBondContact OD1-N 3.5Å; D710-R712 VanDerWaalsContact OD1-N 3.16Å; D710-G713 VanDerWaalsContact CG-N 3.33Å; D710-G713 PolarHBondContact OD1-N 2.87Å; D710-G713 WeakPolarHBondContact OD2-CA 3.15Å; D710-G713 PolarHBondContact OD2-N 3.35Å; D710-A714 WeakPolarHBondContact O-CB 3.27Å; D710-A714 PolarHBondContact O-N 2.98Å
711	Q	96.7	Very high	95.4	Very high	48 Å²	48	59.1 Å²	59.1	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-39.5	177.6	-73.9	-64.5	-51.9	0	0	112.2	Y615 I705 E706 K708 A714 W715	Y615-Q711 WeakPolarHBondContact OH-CB 3.25Å; I705-Q711 PolarHBondContact O-NE2 3.25Å; E706-Q711 PolarHBondContact O-NE2 2.76Å; K708-Q711 PolarHBondContact O-NE2 3.19Å; Q711-A714 PolarHBondContact O-N 3.43Å; Q711-W715 PolarHBondContact O-N 2.72Å
712	R	96.1	Very high	95.6	Very high	179 Å²	179	58.6 Å²	58.6	68%	0.675	30%	0.3	S	S	*	.	H	α-helix	trans	-66.3	-47.7	-178	-174.5	177.4	-179.7	177.1	-0.7	110.7	Y615 D710 A714 W715 E716	Y615-R712 HydrophobicContact CE1-CB 4.26Å; D710-R712 VanDerWaalsContact C-N 3.33Å; D710-R712 PolarHBondContact O-N 3.38Å; D710-R712 PolarHBondContact OD1-N 3.5Å; D710-R712 VanDerWaalsContact OD1-N 3.16Å; R712-A714 VanDerWaalsContact C-N 3.33Å; R712-A714 PolarHBondContact O-N 2.87Å; R712-W715 PolarHBondContact O-N 3.44Å; R712-E716 WeakPolarHBondContact O-CG 3.49Å; R712-E716 PolarHBondContact O-N 3.06Å
713	G	97.1	Very high	95.8	Very high	31 Å²	31	61.9 Å²	61.9	32%	0.32	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-40.2	175.4	0	0	0	0	0	112.8	D710 E716 E717	D710-G713 VanDerWaalsContact CG-N 3.33Å; D710-G713 PolarHBondContact OD1-N 2.87Å; D710-G713 WeakPolarHBondContact OD2-CA 3.15Å; D710-G713 PolarHBondContact OD2-N 3.35Å; G713-E716 PolarHBondContact O-N 2.9Å; G713-E717 PolarHBondContact O-N 2.9Å
714	A	96.8	Very high	96.2	Very high	15 Å²	15	60.8 Å²	60.8	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-46.1	177.6	0	0	0	0	0	112.5	I705 K708 D710 Q711 R712 E717 V718	I705-A714 HydrophobicContact CD1-CB 4.22Å; I705-A714 HydrophobicContact CG1-CB 4Å; K708-A714 HydrophobicContact CB-CB 4.06Å; K708-A714 HydrophobicContact CG-CB 4.1Å; D710-A714 WeakPolarHBondContact O-CB 3.27Å; D710-A714 PolarHBondContact O-N 2.98Å; Q711-A714 PolarHBondContact O-N 3.43Å; R712-A714 VanDerWaalsContact C-N 3.33Å; R712-A714 PolarHBondContact O-N 2.87Å; A714-E717 PolarHBondContact O-N 3.08Å; A714-V718 PolarHBondContact O-N 2.87Å; A714-V718 VanDerWaalsContact O-N 3.16Å
715	W	97.8	Very high	96.5	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-72.4	-28.3	178	-73.4	107.6	0	0	0	113.5	H608 Q611 L612 Y615 V617 I705 Q711 R712 V718 K719	H608-W715 HydrophobicContact CB-CH2 3.62Å; H608-W715 HydrophobicContact CB-CZ2 3.85Å; Q611-W715 HydrophobicContact CB-CH2 4.14Å; Q611-W715 HydrophobicContact CB-CZ2 3.41Å; Q611-W715 VanDerWaalsContact CB-CZ2 3.41Å; Q611-W715 HydrophobicContact CG-CZ2 4.04Å; L612-W715 HydrophobicContact CD2-CE3 4.36Å; L612-W715 HydrophobicContact CD2-CH2 4.14Å; L612-W715 HydrophobicContact CD2-CZ3 3.58Å; Y615-W715 HydrophobicContact CD1-CB 4.15Å; Y615-W715 HydrophobicContact CD1-CG 4.47Å; Y615-W715 HydrophobicContact CD2-CB 3.94Å; Y615-W715 AromaticContact CD2-CD1 3.18Å; Y615-W715 HydrophobicContact CD2-CD2 4.06Å; Y615-W715 AromaticContact CD2-CG 3.45Å; Y615-W715 HydrophobicContact CD2-CG 3.45Å; Y615-W715 VanDerWaalsContact CD2-CG 3.45Å; Y615-W715 AromaticContact CD2-NE1 3.68Å; Y615-W715 AromaticContact CE2-CD1 3.21Å; Y615-W715 AromaticContact CE2-CG 3.97Å; Y615-W715 HydrophobicContact CE2-CG 3.97Å; Y615-W715 AromaticContact CE2-NE1 3.58Å; Y615-W715 HydrophobicContact CG-CB 3.67Å; Y615-W715 AromaticContact CG-CD1 3.81Å; Y615-W715 AromaticContact CG-CG 3.75Å; Y615-W715 HydrophobicContact CG-CG 3.75Å; Y615-W715 AromaticContact CZ-CD1 3.84Å; V617-W715 HydrophobicContact CG2-CE3 3.92Å; I705-W715 HydrophobicContact CD1-CD2 3.58Å; I705-W715 HydrophobicContact CD1-CE3 3.81Å; I705-W715 HydrophobicContact CD1-CG 4.14Å; I705-W715 HydrophobicContact CD1-CH2 3.95Å; I705-W715 HydrophobicContact CD1-CZ2 3.71Å; I705-W715 HydrophobicContact CD1-CZ3 3.99Å; I705-W715 HydrophobicContact CG1-CZ2 4.24Å; I705-W715 HydrophobicContact CG2-CH2 4.42Å; I705-W715 HydrophobicContact CG2-CZ2 4.07Å; Q711-W715 PolarHBondContact O-N 2.72Å; R712-W715 PolarHBondContact O-N 3.44Å; W715-V718 HydrophobicContact CE3-CB 4.15Å; W715-V718 HydrophobicContact CE3-CG1 4.29Å; W715-V718 HydrophobicContact CE3-CG2 4.07Å; W715-V718 HydrophobicContact CZ3-CG1 4.34Å; W715-V718 HydrophobicContact CZ3-CG2 4.37Å; W715-V718 PolarHBondContact O-N 3.48Å; W715-K719 WeakPolarHBondContact O-CG 3.5Å; W715-K719 PolarHBondContact O-N 3.2Å
716	E	97.9	Very high	96.7	Very high	80 Å²	80	58.9 Å²	58.9	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-37.2	169	-72.5	-58.6	152.7	0	0	112	R712 G713 K719 R720	R712-E716 WeakPolarHBondContact O-CG 3.49Å; R712-E716 PolarHBondContact O-N 3.06Å; G713-E716 PolarHBondContact O-N 2.9Å; E716-K719 PolarHBondContact O-N 3.44Å; E716-K719 IonicContact OE1-NZ 3.6Å; E716-K719 PolarHBondContact OE1-NZ 3.32Å; E716-K719 IonicContact OE2-NZ 3.29Å; E716-K719 PolarHBondContact OE2-NZ 3.29Å; E716-R720 WeakPolarHBondContact O-CB 3.36Å; E716-R720 PolarHBondContact O-N 3.21Å
717	E	97	Very high	97.1	Very high	57 Å²	57	59.7 Å²	59.7	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-40.2	173	-178.8	59.5	-163.7	0	0	111.6	P672 A701 G713 A714 K719 R720 Q721	P672-E717 WeakPolarHBondContact CG-OE1 3.46Å; A701-E717 HydrophobicContact CB-CG 3.97Å; G713-E717 PolarHBondContact O-N 2.9Å; A714-E717 PolarHBondContact O-N 3.08Å; E717-K719 PolarHBondContact O-N 2.69Å; E717-R720 WeakPolarHBondContact O-CB 3.38Å; E717-R720 PolarHBondContact O-N 3.47Å; E717-R720 IonicContact OE1-CZ 3.06Å; E717-R720 IonicContact OE1-NE 3.55Å; E717-R720 PolarHBondContact OE1-NE 3.43Å; E717-R720 IonicContact OE1-NH2 3.07Å; E717-R720 PolarHBondContact OE1-NH2 3.35Å; E717-R720 IonicContact OE2-CZ 2.7Å; E717-R720 IonicContact OE2-NE 3.49Å; E717-R720 PolarHBondContact OE2-NE 3.05Å; E717-R720 IonicContact OE2-NH2 3.5Å; E717-R720 PolarHBondContact OE2-NH2 3.31Å; E717-Q721 HydrophobicContact CG-CG 4.44Å; E717-Q721 VanDerWaalsContact O-CG 3.31Å; E717-Q721 WeakPolarHBondContact O-CG 3.41Å; E717-Q721 PolarHBondContact O-N 3.04Å; E717-Q721 WeakPolarHBondContact OE1-CG 3.25Å; E717-Q721 PolarHBondContact OE1-NE2 3.02Å
718	V	97.8	Very high	97.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-47.4	173.5	175.2	0	0	0	0	110.9	V617 A701 M702 I705 A714 W715 R720 Q721 I722	V617-V718 HydrophobicContact CG1-CG1 4.06Å; A701-V718 HydrophobicContact CB-CB 4.5Å; A701-V718 HydrophobicContact CB-CG2 3.77Å; M702-V718 HydrophobicContact CG-CG1 4.07Å; M702-V718 HydrophobicContact CG-CG2 3.73Å; M702-V718 HydrophobicContact SD-CG1 4.39Å; I705-V718 HydrophobicContact CD1-CG2 3.76Å; A714-V718 PolarHBondContact O-N 2.87Å; A714-V718 VanDerWaalsContact O-N 3.16Å; W715-V718 HydrophobicContact CE3-CB 4.15Å; W715-V718 HydrophobicContact CE3-CG1 4.29Å; W715-V718 HydrophobicContact CE3-CG2 4.07Å; W715-V718 HydrophobicContact CZ3-CG1 4.34Å; W715-V718 HydrophobicContact CZ3-CG2 4.37Å; W715-V718 PolarHBondContact O-N 3.48Å; V718-R720 VanDerWaalsContact C-N 3.33Å; V718-R720 PolarHBondContact O-N 3.45Å; V718-Q721 PolarHBondContact O-N 3.13Å; V718-I722 HydrophobicContact CG1-CD1 3.85Å; V718-I722 WeakPolarHBondContact O-CG1 3.37Å; V718-I722 PolarHBondContact O-N 3.44Å
719	K	98.3	Very high	97.7	Very high	66 Å²	66	52 Å²	52	29%	0.287	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-44.1	176.6	-72.1	166.3	64.4	-156.9	0	111.7	V617 W715 E716 E717 Q721 I722 S723	V617-K719 HydrophobicContact CB-CG 4.2Å; V617-K719 HydrophobicContact CG1-CG 4.04Å; V617-K719 HydrophobicContact CG2-CD 4.09Å; V617-K719 HydrophobicContact CG2-CG 3.81Å; W715-K719 WeakPolarHBondContact O-CG 3.5Å; W715-K719 PolarHBondContact O-N 3.2Å; E716-K719 PolarHBondContact O-N 3.44Å; E716-K719 IonicContact OE1-NZ 3.6Å; E716-K719 PolarHBondContact OE1-NZ 3.32Å; E716-K719 IonicContact OE2-NZ 3.29Å; E716-K719 PolarHBondContact OE2-NZ 3.29Å; E717-K719 PolarHBondContact O-N 2.69Å; K719-Q721 PolarHBondContact O-N 2.91Å; K719-I722 PolarHBondContact O-N 3.09Å; K719-S723 PolarHBondContact O-N 2.86Å
720	R	98.2	Very high	97.9	Very high	116 Å²	116	48.9 Å²	48.9	44%	0.438	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-47.4	177.3	-169.1	-178	74.6	92	-10.7	111.1	E716 E717 V718 S723 V724	E716-R720 WeakPolarHBondContact O-CB 3.36Å; E716-R720 PolarHBondContact O-N 3.21Å; E717-R720 WeakPolarHBondContact O-CB 3.38Å; E717-R720 PolarHBondContact O-N 3.47Å; E717-R720 IonicContact OE1-CZ 3.06Å; E717-R720 IonicContact OE1-NE 3.55Å; E717-R720 PolarHBondContact OE1-NE 3.43Å; E717-R720 IonicContact OE1-NH2 3.07Å; E717-R720 PolarHBondContact OE1-NH2 3.35Å; E717-R720 IonicContact OE2-CZ 2.7Å; E717-R720 IonicContact OE2-NE 3.49Å; E717-R720 PolarHBondContact OE2-NE 3.05Å; E717-R720 IonicContact OE2-NH2 3.5Å; E717-R720 PolarHBondContact OE2-NH2 3.31Å; V718-R720 VanDerWaalsContact C-N 3.33Å; V718-R720 PolarHBondContact O-N 3.45Å; R720-S723 WeakPolarHBondContact O-CB 3.46Å; R720-S723 PolarHBondContact O-N 3.25Å; R720-V724 WeakPolarHBondContact O-CG2 3.44Å; R720-V724 PolarHBondContact O-N 3.35Å
721	Q	98	Very high	98	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-35.5	-178.9	-66.2	-60.7	-30.6	0	0	113	P672 G697 I698 A701 E717 V718 K719 S723 V724 A725	P672-Q721 VanDerWaalsContact CG-NE2 3.26Å; G697-Q721 WeakPolarHBondContact O-CG 3.24Å; I698-Q721 HydrophobicContact CG1-CB 3.93Å; A701-Q721 HydrophobicContact CB-CG 4.3Å; E717-Q721 HydrophobicContact CG-CG 4.44Å; E717-Q721 VanDerWaalsContact O-CG 3.31Å; E717-Q721 WeakPolarHBondContact O-CG 3.41Å; E717-Q721 PolarHBondContact O-N 3.04Å; E717-Q721 WeakPolarHBondContact OE1-CG 3.25Å; E717-Q721 PolarHBondContact OE1-NE2 3.02Å; V718-Q721 PolarHBondContact O-N 3.13Å; K719-Q721 PolarHBondContact O-N 2.91Å; Q721-S723 VanDerWaalsContact C-N 3.33Å; Q721-V724 PolarHBondContact O-N 2.85Å; Q721-A725 WeakPolarHBondContact O-CB 3.41Å; Q721-A725 PolarHBondContact O-N 3.47Å
722	I	98.6	Very high	98.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-44.1	170.6	-67.4	163.6	0	0	0	110.3	V617 F619 L622 I698 V718 K719 A725 A726	V617-I722 HydrophobicContact CG1-CD1 3.55Å; F619-I722 HydrophobicContact CD1-CD1 4.26Å; F619-I722 HydrophobicContact CD1-CG1 4.35Å; F619-I722 HydrophobicContact CD2-CD1 3.95Å; F619-I722 HydrophobicContact CE1-CD1 3.9Å; F619-I722 HydrophobicContact CE1-CG1 3.96Å; F619-I722 HydrophobicContact CE2-CD1 3.56Å; F619-I722 HydrophobicContact CE2-CG1 4.5Å; F619-I722 HydrophobicContact CG-CD1 4.29Å; F619-I722 HydrophobicContact CZ-CD1 3.53Å; F619-I722 HydrophobicContact CZ-CG1 4.04Å; L622-I722 HydrophobicContact CB-CG2 4.31Å; I698-I722 HydrophobicContact CD1-CB 4.48Å; I698-I722 HydrophobicContact CD1-CG1 3.92Å; I698-I722 HydrophobicContact CG1-CG1 4.21Å; I698-I722 HydrophobicContact CG2-CG1 4.1Å; V718-I722 HydrophobicContact CG1-CD1 3.85Å; V718-I722 WeakPolarHBondContact O-CG1 3.37Å; V718-I722 PolarHBondContact O-N 3.44Å; K719-I722 PolarHBondContact O-N 3.09Å; I722-A725 PolarHBondContact O-N 3.06Å; I722-A726 WeakPolarHBondContact O-CB 3.33Å; I722-A726 PolarHBondContact O-N 3.23Å
723	S	98.6	Very high	98.2	Very high	77 Å²	77	35 Å²	35	54%	0.538	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-43.3	178.1	-171.9	0	0	0	0	112.3	K719 R720 Q721 A726 F727	K719-S723 PolarHBondContact O-N 2.86Å; R720-S723 WeakPolarHBondContact O-CB 3.46Å; R720-S723 PolarHBondContact O-N 3.25Å; Q721-S723 VanDerWaalsContact C-N 3.33Å; S723-A726 PolarHBondContact O-N 2.83Å; S723-F727 WeakPolarHBondContact O-CB 3.45Å; S723-F727 PolarHBondContact O-N 3.06Å
724	V	98.6	Very high	98.3	Very high	30 Å²	30	37.5 Å²	37.5	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-49.8	175.7	171.7	0	0	0	0	109.9	V680 R720 Q721 A726 F727 T728	V680-V724 HydrophobicContact CG1-CG1 4.38Å; V680-V724 HydrophobicContact CG2-CG1 4.47Å; R720-V724 WeakPolarHBondContact O-CG2 3.44Å; R720-V724 PolarHBondContact O-N 3.35Å; Q721-V724 PolarHBondContact O-N 2.85Å; V724-A726 PolarHBondContact O-N 2.98Å; V724-F727 PolarHBondContact O-N 3.33Å; V724-T728 PolarHBondContact O-N 3.36Å; V724-T728 PolarHBondContact O-OG1 2.9Å
725	A	98.7	Very high	98.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-43.9	179.1	0	0	0	0	0	112.5	L622 V680 F695 I698 Q721 I722 T728 V729	L622-A725 HydrophobicContact CD1-CB 3.99Å; V680-A725 HydrophobicContact CG1-CB 4.26Å; F695-A725 HydrophobicContact CD1-CB 3.8Å; F695-A725 HydrophobicContact CE1-CB 4.01Å; I698-A725 HydrophobicContact CD1-CB 3.9Å; Q721-A725 WeakPolarHBondContact O-CB 3.41Å; Q721-A725 PolarHBondContact O-N 3.47Å; I722-A725 PolarHBondContact O-N 3.06Å; A725-T728 PolarHBondContact O-N 3Å; A725-V729 WeakPolarHBondContact O-CB 3.45Å; A725-V729 VanDerWaalsContact O-CG2 3.28Å; A725-V729 WeakPolarHBondContact O-CG2 3.36Å; A725-V729 PolarHBondContact O-N 3.39Å
726	A	98.8	Very high	98.3	Very high	9 Å²	9	39.4 Å²	39.4	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-47.1	177.2	0	0	0	0	0	111.8	P621 L622 A625 I722 S723 V724 Q730	P621-A726 HydrophobicContact CB-CB 3.94Å; L622-A726 HydrophobicContact CB-CB 4.27Å; A625-A726 HydrophobicContact CB-CB 4.46Å; A625-A726 WeakPolarHBondContact CB-O 3.33Å; I722-A726 WeakPolarHBondContact O-CB 3.33Å; I722-A726 PolarHBondContact O-N 3.23Å; S723-A726 PolarHBondContact O-N 2.83Å; V724-A726 PolarHBondContact O-N 2.98Å; A726-Q730 WeakPolarHBondContact O-CB 3.48Å; A726-Q730 PolarHBondContact O-N 2.94Å
727	F	98.8	Very high	98.2	Very high	147 Å²	147	40.4 Å²	40.4	65%	0.645	20%	0.202	S	C	*	.	H	α-helix	trans	-58.4	-50	176.1	165	-102.3	0	0	0	111.5	S723 V724 V729 Q730 A731	S723-F727 WeakPolarHBondContact O-CB 3.45Å; S723-F727 PolarHBondContact O-N 3.06Å; V724-F727 PolarHBondContact O-N 3.33Å; F727-V729 PolarHBondContact O-N 3.18Å; F727-Q730 PolarHBondContact O-N 3.27Å; F727-A731 HydrophobicContact CZ-CB 4.46Å; F727-A731 WeakPolarHBondContact O-CB 3.21Å; F727-A731 PolarHBondContact O-N 3.37Å
728	T	98.8	Very high	97.8	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-43.2	-177.5	-55.8	0	0	0	0	111.9	A664 F665 V680 V724 A725 Q730 A731 A732	A664-T728 WeakPolarHBondContact O-CG2 3.2Å; F665-T728 HydrophobicContact CD1-CG2 4.23Å; V680-T728 HydrophobicContact CB-CG2 3.95Å; V680-T728 HydrophobicContact CG1-CG2 4.37Å; V680-T728 HydrophobicContact CG2-CG2 3.95Å; V724-T728 PolarHBondContact O-N 3.36Å; V724-T728 PolarHBondContact O-OG1 2.9Å; A725-T728 PolarHBondContact O-N 3Å; T728-Q730 VanDerWaalsContact C-N 3.33Å; T728-Q730 PolarHBondContact O-N 2.83Å; T728-A731 PolarHBondContact O-N 3.08Å; T728-A732 WeakPolarHBondContact O-CB 3.41Å; T728-A732 PolarHBondContact O-N 2.92Å
729	V	98.8	Very high	97.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-40.4	176.1	173.7	0	0	0	0	111.2	L594 L622 A625 V626 F629 I681 F695 A725 F727 A732 A733	L594-V729 HydrophobicContact CD1-CG1 4.1Å; L594-V729 HydrophobicContact CD2-CG2 4.08Å; L622-V729 HydrophobicContact CD1-CG2 4.44Å; A625-V729 HydrophobicContact CB-CB 3.99Å; A625-V729 HydrophobicContact CB-CG1 3.96Å; V626-V729 HydrophobicContact CG2-CG1 4.31Å; F629-V729 HydrophobicContact CB-CG1 3.93Å; F629-V729 HydrophobicContact CG-CG1 4.44Å; I681-V729 HydrophobicContact CD1-CG2 3.69Å; F695-V729 HydrophobicContact CE1-CG2 4.25Å; A725-V729 WeakPolarHBondContact O-CB 3.45Å; A725-V729 VanDerWaalsContact O-CG2 3.28Å; A725-V729 WeakPolarHBondContact O-CG2 3.36Å; A725-V729 PolarHBondContact O-N 3.39Å; F727-V729 PolarHBondContact O-N 3.18Å; V729-A732 PolarHBondContact O-N 3.03Å; V729-A733 PolarHBondContact O-N 2.9Å
730	Q	98.8	Very high	95.5	Very high	49 Å²	49	54.9 Å²	54.9	23%	0.229	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-46	176.4	-175.5	62.8	44.9	0	0	111.1	A625 N628 A726 F727 T728 A732 A733 E734	A625-Q730 HydrophobicContact CB-CB 4.06Å; N628-Q730 PolarHBondContact ND2-OE1 2.99Å; A726-Q730 WeakPolarHBondContact O-CB 3.48Å; A726-Q730 PolarHBondContact O-N 2.94Å; F727-Q730 PolarHBondContact O-N 3.27Å; T728-Q730 VanDerWaalsContact C-N 3.33Å; T728-Q730 PolarHBondContact O-N 2.83Å; Q730-A732 VanDerWaalsContact C-N 3.3Å; Q730-A732 PolarHBondContact O-N 2.92Å; Q730-A733 WeakPolarHBondContact O-CA 3.36Å; Q730-A733 VanDerWaalsContact O-CB 3.25Å; Q730-A733 WeakPolarHBondContact O-CB 3.32Å; Q730-A733 PolarHBondContact O-N 3.06Å; Q730-E734 PolarHBondContact NE2-OE1 2.88Å; Q730-E734 WeakPolarHBondContact O-CG 3.4Å; Q730-E734 PolarHBondContact O-N 3.12Å
731	A	98.6	Very high	95.3	Very high	35 Å²	35	51.8 Å²	51.8	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-41.6	177.5	0	0	0	0	0	111.6	F727 T728 A733 E734 T735	F727-A731 HydrophobicContact CZ-CB 4.46Å; F727-A731 WeakPolarHBondContact O-CB 3.21Å; F727-A731 PolarHBondContact O-N 3.37Å; T728-A731 PolarHBondContact O-N 3.08Å; A731-A733 VanDerWaalsContact C-N 3.3Å; A731-A733 PolarHBondContact O-N 3.43Å; A731-E734 WeakPolarHBondContact O-CB 3.45Å; A731-E734 PolarHBondContact O-N 3.37Å; A731-E734 VanDerWaalsContact O-N 3.14Å; A731-T735 PolarHBondContact O-N 2.93Å
732	A	98.6	Very high	95.2	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-32	172.9	0	0	0	0	0	113.2	F629 I661 A664 F665 T728 V729 Q730 E734 T735	F629-A732 HydrophobicContact CD2-CB 4.13Å; F629-A732 HydrophobicContact CE2-CB 3.92Å; I661-A732 HydrophobicContact CD1-CB 4.25Å; I661-A732 VanDerWaalsContact CD1-O 3.27Å; I661-A732 WeakPolarHBondContact CD1-O 3.13Å; A664-A732 HydrophobicContact CB-CB 3.63Å; F665-A732 HydrophobicContact CD1-CB 3.94Å; F665-A732 HydrophobicContact CE1-CB 3.43Å; F665-A732 VanDerWaalsContact CE1-CB 3.43Å; F665-A732 HydrophobicContact CE2-CB 4.47Å; F665-A732 HydrophobicContact CZ-CB 3.74Å; T728-A732 WeakPolarHBondContact O-CB 3.41Å; T728-A732 PolarHBondContact O-N 2.92Å; V729-A732 PolarHBondContact O-N 3.03Å; Q730-A732 VanDerWaalsContact C-N 3.3Å; Q730-A732 PolarHBondContact O-N 2.92Å; A732-E734 VanDerWaalsContact C-N 3.34Å; A732-T735 PolarHBondContact O-N 3.02Å; A732-T735 PolarHBondContact O-OG1 3.32Å
733	A	98.5	Very high	95	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-38.5	172.2	0	0	0	0	0	111.7	F629 A632 V729 Q730 A731 T735 L736	F629-A733 HydrophobicContact CB-CB 3.98Å; F629-A733 HydrophobicContact CD2-CB 4.1Å; F629-A733 HydrophobicContact CG-CB 4.46Å; A632-A733 HydrophobicContact CB-CB 4.13Å; A632-A733 WeakPolarHBondContact CB-O 3.41Å; V729-A733 PolarHBondContact O-N 2.9Å; Q730-A733 WeakPolarHBondContact O-CA 3.36Å; Q730-A733 VanDerWaalsContact O-CB 3.25Å; Q730-A733 WeakPolarHBondContact O-CB 3.32Å; Q730-A733 PolarHBondContact O-N 3.06Å; A731-A733 VanDerWaalsContact C-N 3.3Å; A731-A733 PolarHBondContact O-N 3.43Å; A733-T735 VanDerWaalsContact C-N 3.29Å; A733-T735 PolarHBondContact O-N 2.95Å; A733-L736 PolarHBondContact O-N 2.92Å
734	E	98	Very high	94.8	Very high	82 Å²	82	55.6 Å²	55.6	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-32.5	178.6	-60.5	-58.2	134.2	0	0	112.3	Q730 A731 A732 L736 K737	Q730-E734 PolarHBondContact NE2-OE1 2.88Å; Q730-E734 WeakPolarHBondContact O-CG 3.4Å; Q730-E734 PolarHBondContact O-N 3.12Å; A731-E734 WeakPolarHBondContact O-CB 3.45Å; A731-E734 PolarHBondContact O-N 3.37Å; A731-E734 VanDerWaalsContact O-N 3.14Å; A732-E734 VanDerWaalsContact C-N 3.34Å; E734-L736 PolarHBondContact O-N 3Å; E734-K737 VanDerWaalsContact CD-CE 3.48Å; E734-K737 WeakPolarHBondContact O-CB 3.22Å; E734-K737 PolarHBondContact O-N 3.44Å; E734-K737 VanDerWaalsContact O-N 3.1Å; E734-K737 VanDerWaalsContact OE1-CE 3.29Å; E734-K737 WeakPolarHBondContact OE1-CE 3.37Å; E734-K737 IonicContact OE1-NZ 2.73Å; E734-K737 PolarHBondContact OE1-NZ 3.36Å; E734-K737 VanDerWaalsContact OE2-CD 3.24Å; E734-K737 WeakPolarHBondContact OE2-CD 3.34Å; E734-K737 WeakPolarHBondContact OE2-CE 3.38Å; E734-K737 IonicContact OE2-NZ 2.64Å; E734-K737 PolarHBondContact OE2-NZ 3.26Å
735	T	97.6	Very high	94.6	Very high	56 Å²	56	57.2 Å²	57.2	34%	0.344	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	177.8	68.6	0	0	0	0	113.5	Q657 I661 A664 A731 A732 A733	Q657-T735 PolarHBondContact NE2-O 3Å; I661-T735 WeakPolarHBondContact CD1-OG1 3.13Å; A664-T735 HydrophobicContact CB-CG2 4.02Å; A731-T735 PolarHBondContact O-N 2.93Å; A732-T735 PolarHBondContact O-N 3.02Å; A732-T735 PolarHBondContact O-OG1 3.32Å; A733-T735 VanDerWaalsContact C-N 3.29Å; A733-T735 PolarHBondContact O-N 2.95Å
736	L	97.4	Very high	94.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.7	176.4	-61.6	-179.8	0	0	0	113	C587 F629 A632 A633 F636 R639 I661 A733 E734	C587-L736 HydrophobicContact CB-CD1 4.09Å; F629-L736 HydrophobicContact CE2-CD1 4.3Å; F629-L736 HydrophobicContact CZ-CD1 4.23Å; A632-L736 HydrophobicContact CB-CB 4.23Å; A633-L736 HydrophobicContact CB-CD1 4.01Å; F636-L736 HydrophobicContact CB-CB 4.13Å; F636-L736 HydrophobicContact CD1-CD2 4.45Å; F636-L736 HydrophobicContact CD2-CD2 4.32Å; F636-L736 HydrophobicContact CG-CB 4.46Å; F636-L736 HydrophobicContact CG-CD2 4.17Å; R639-L736 PolarHBondContact NH2-O 3.07Å; I661-L736 HydrophobicContact CB-CD2 4.47Å; I661-L736 HydrophobicContact CD1-CD1 3.87Å; I661-L736 HydrophobicContact CD1-CD2 3.78Å; I661-L736 HydrophobicContact CD1-CG 3.66Å; I661-L736 HydrophobicContact CG1-CD1 4.45Å; I661-L736 HydrophobicContact CG1-CD2 4.2Å; I661-L736 HydrophobicContact CG1-CG 4.49Å; A733-L736 PolarHBondContact O-N 2.92Å; E734-L736 PolarHBondContact O-N 3Å
737	K	94.8	Very high	94	Very high	101 Å²	101	64.6 Å²	64.6	44%	0.439	37%	0.366	S	S	.	.	S	Bend	trans	-70.9	172.6	176.7	-69.4	-170.2	-175.4	169	0	111.7	R639 Q657 E734	R639-K737 VanDerWaalsContact NH2-C 3.28Å; R639-K737 PolarHBondContact NH2-O 2.71Å; R639-K737 VanDerWaalsContact NH2-O 3.08Å; Q657-K737 PolarHBondContact NE2-O 2.97Å; E734-K737 VanDerWaalsContact CD-CE 3.48Å; E734-K737 WeakPolarHBondContact O-CB 3.22Å; E734-K737 PolarHBondContact O-N 3.44Å; E734-K737 VanDerWaalsContact O-N 3.1Å; E734-K737 VanDerWaalsContact OE1-CE 3.29Å; E734-K737 WeakPolarHBondContact OE1-CE 3.37Å; E734-K737 IonicContact OE1-NZ 2.73Å; E734-K737 PolarHBondContact OE1-NZ 3.36Å; E734-K737 VanDerWaalsContact OE2-CD 3.24Å; E734-K737 WeakPolarHBondContact OE2-CD 3.34Å; E734-K737 WeakPolarHBondContact OE2-CE 3.38Å; E734-K737 IonicContact OE2-NZ 2.64Å; E734-K737 PolarHBondContact OE2-NZ 3.26Å
738	E	89.9	Confident	93.6	Very high	159 Å²	159	58.3 Å²	58.3	74%	0.743	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-67.9	135	-179.3	-150.8	165.4	162.2	0	0	108.8
739	V	85.9	Confident	93.2	Very high	96 Å²	96	62.6 Å²	62.6	58%	0.582	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-98.5	137.1	177.4	-172.3	0	0	0	0	107.4
740	A	61.2	Low	92.7	Very high	171 Å²	171	68.3 Å²	68.3	100%	1.413	40%	0.403	S	S	*	.			trans	-75.8	0	-178.2	0	0	0	0	0	112.9

Retrieved 740 of 740 residues in 295.1 ms (Link to these results)

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