A0A096NJQ6_PAPAN Loading...

LARGE xylosyl- and glucuronyltransferase 1

AlphaFold DB (A0A2K5VJL9), UniProt , Accession A0A096NJQ6, Species PAPAN (Papio anubis, Olive baboon), Gene LARGE1, Length 756 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	46.5	Very low	240 Å²	240	162.5 Å²	162.5	100%	1.182	80%	0.804	S	S	*	*				0	85.2	0	-83	-155.8	-99.7	0	0	110.6
2	L	43.1	Very low	47	Very low	178 Å²	178	158.4 Å²	158.4	93%	0.932	79%	0.786	S	S	*	*			trans	-157.5	21.7	172.1	-104.8	157.1	0	0	0	112.8
3	G	45.2	Very low	47.3	Very low	74 Å²	74	150.7 Å²	150.7	76%	0.763	76%	0.763	S	S	*	*	S	Bend	trans	-103.7	-2	-179.8	0	0	0	0	0	115.5
4	I	45.8	Very low	47.5	Very low	152 Å²	152	143.7 Å²	143.7	78%	0.779	74%	0.74	S	S	*	*	S	Bend	trans	-103.8	-4.8	-168.4	-62.7	175.4	0	0	0	113.3
5	C	48.7	Very low	47.7	Very low	107 Å²	107	138.4 Å²	138.4	72%	0.723	72%	0.72	S	S	*	*	S	Bend	trans	-97.5	0.9	-175.8	-70.9	0	0	0	0	116.3
6	R	44.5	Very low	47.7	Very low	229 Å²	229	136.5 Å²	136.5	86%	0.864	71%	0.711	S	S	*	*	S	Bend	trans	-100.4	-17.1	178.7	-92.5	179.8	163	168.7	-4.4	115.2
7	G	45.5	Very low	47.9	Very low	54 Å²	54	132.5 Å²	132.5	56%	0.557	70%	0.697	S	S	*	*	H	α-helix	trans	-79.5	-33.2	177.7	0	0	0	0	0	114.5
8	R	47.8	Very low	47.9	Very low	205 Å²	205	132.9 Å²	132.9	77%	0.774	70%	0.699	S	S	*	*	H	α-helix	trans	-75	-24.5	-176.4	-86.8	-178.8	166.1	-179.2	-4.5	114.8	L12	R8-L12 PolarHBondContact O-N 3.43Å
9	R	48.1	Very low	48	Very low	212 Å²	212	133.2 Å²	133.2	80%	0.8	70%	0.7	S	S	*	*	H	α-helix	trans	-76.3	-28.3	177.8	-80.5	-174.8	175.8	-178.3	-0.7	113.8	A13	R9-A13 PolarHBondContact O-N 2.97Å
10	K	48.1	Very low	48.1	Very low	172 Å²	172	129.6 Å²	129.6	75%	0.748	69%	0.686	S	S	*	*	H	α-helix	trans	-78.9	-31.7	178.7	-68.9	-171.3	177.2	-174.2	0	112.7	A14	K10-A14 PolarHBondContact O-N 2.86Å
11	F	49.8	Very low	48.2	Very low	164 Å²	164	129 Å²	129	72%	0.719	68%	0.682	S	S	*	*	H	α-helix	trans	-72.2	-37.9	175.6	-113	-89.5	0	0	0	112.9	S15	F11-S15 WeakPolarHBondContact O-CB 3.49Å; F11-S15 PolarHBondContact O-N 3.18Å; F11-S15 VanDerWaalsContact O-N 3.09Å; F11-S15 PolarHBondContact O-OG 3.35Å
12	L	52.1	Low	48.3	Very low	114 Å²	114	121.1 Å²	121.1	60%	0.597	65%	0.648	S	S	*	*	H	α-helix	trans	-67.1	-37.9	174.9	-98.2	140.1	0	0	0	112.7	R8 S15 L16	R8-L12 PolarHBondContact O-N 3.43Å; L12-S15 PolarHBondContact O-N 3.11Å; L12-L16 PolarHBondContact O-N 2.94Å; L12-L16 VanDerWaalsContact O-N 3.17Å
13	A	51.2	Low	48.5	Very low	58 Å²	58	115 Å²	115	48%	0.479	62%	0.623	S	S	.	*	H	α-helix	trans	-69.7	-35.1	176.9	0	0	0	0	0	113.5	R9 S17	R9-A13 PolarHBondContact O-N 2.97Å; A13-S17 PolarHBondContact O-N 3.37Å; A13-S17 PolarHBondContact O-OG 3.39Å
14	A	49	Very low	48.8	Very low	53 Å²	53	116.7 Å²	116.7	44%	0.438	61%	0.614	S	S	.	*	H	α-helix	trans	-71.9	-34.2	174.9	0	0	0	0	0	112.3	K10 S17 L18	K10-A14 PolarHBondContact O-N 2.86Å; A14-S17 PolarHBondContact O-N 3.43Å; A14-L18 PolarHBondContact O-N 3.31Å
15	S	51	Low	48.9	Very low	64 Å²	64	113.3 Å²	113.3	45%	0.448	60%	0.6	S	S	.	*	H	α-helix	trans	-72.8	-34	179.8	-51	0	0	0	0	113	F11 L12	F11-S15 WeakPolarHBondContact O-CB 3.49Å; F11-S15 PolarHBondContact O-N 3.18Å; F11-S15 VanDerWaalsContact O-N 3.09Å; F11-S15 PolarHBondContact O-OG 3.35Å; L12-S15 PolarHBondContact O-N 3.11Å
16	L	48.4	Very low	48.5	Very low	108 Å²	108	116.8 Å²	116.8	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-72.8	-27.4	174.9	-97.5	129.4	0	0	0	112.9	L12 C20	L12-L16 PolarHBondContact O-N 2.94Å; L12-L16 VanDerWaalsContact O-N 3.17Å; L16-C20 PolarHBondContact O-N 3Å; L16-C20 PolarHBondContact O-SG 2.9Å; L16-C20 VanDerWaalsContact O-SG 3.36Å
17	S	49.8	Very low	48.6	Very low	68 Å²	68	111.5 Å²	111.5	48%	0.476	59%	0.586	S	S	.	*	H	α-helix	trans	-75.6	-28.1	179.8	-54.1	0	0	0	0	112.5	A13 A14 I21	A13-S17 PolarHBondContact O-N 3.37Å; A13-S17 PolarHBondContact O-OG 3.39Å; A14-S17 PolarHBondContact O-N 3.43Å; S17-I21 WeakPolarHBondContact O-CD1 3.21Å; S17-I21 VanDerWaalsContact O-CG1 3.32Å; S17-I21 WeakPolarHBondContact O-CG1 3.3Å
18	L	48.4	Very low	48.4	Very low	141 Å²	141	118.3 Å²	118.3	74%	0.738	60%	0.596	S	S	*	*	H	α-helix	trans	-78.9	-17.8	177.6	-97	140.7	0	0	0	114.1	A14	A14-L18 PolarHBondContact O-N 3.31Å
19	L	50.2	Low	47.9	Very low	138 Å²	138	115.1 Å²	115.1	72%	0.723	59%	0.594	S	S	*	*	H	α-helix	trans	-97	-27.7	177	-83.2	158.7	0	0	0	113.5
20	C	49.6	Very low	47.5	Very low	61 Å²	61	112.2 Å²	112.2	41%	0.412	59%	0.587	S	S	.	*	H	α-helix	trans	-84.1	-25.6	-176.6	-68.8	0	0	0	0	114.3	L16 I24	L16-C20 PolarHBondContact O-N 3Å; L16-C20 PolarHBondContact O-SG 2.9Å; L16-C20 VanDerWaalsContact O-SG 3.36Å; C20-I24 WeakPolarHBondContact O-CD1 3.48Å; C20-I24 VanDerWaalsContact O-CG1 3.29Å; C20-I24 WeakPolarHBondContact O-CG1 3.26Å; C20-I24 PolarHBondContact O-N 3.3Å; C20-I24 VanDerWaalsContact O-N 3.17Å
21	I	49.6	Very low	46.9	Very low	118 Å²	118	108.1 Å²	108.1	61%	0.605	58%	0.58	S	S	*	*	H	α-helix	trans	-68.5	-45.2	-178	-64.9	170.2	0	0	0	112.2	S17 A23 I24 T25	S17-I21 WeakPolarHBondContact O-CD1 3.21Å; S17-I21 VanDerWaalsContact O-CG1 3.32Å; S17-I21 WeakPolarHBondContact O-CG1 3.3Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.23Å; I21-I24 PolarHBondContact O-N 3.29Å; I21-T25 PolarHBondContact O-N 3.01Å; I21-T25 PolarHBondContact O-OG1 3.04Å
22	P	47.4	Very low	46.2	Very low	73 Å²	73	103.3 Å²	103.3	47%	0.474	58%	0.577	S	S	.	*	H	α-helix	trans	-64.4	-36.6	176.9	-19.9	31.9	0	0	0	112.9	T25 W26	P22-T25 WeakPolarHBondContact CA-OG1 3.32Å; P22-T25 PolarHBondContact O-N 3.11Å; P22-T25 PolarHBondContact O-OG1 3.1Å; P22-W26 PolarHBondContact O-N 3.49Å
23	A	48.4	Very low	45.2	Very low	49 Å²	49	102.4 Å²	102.4	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-68.7	-36.1	-179	0	0	0	0	0	112.8	I21 W26 I27	I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.23Å; A23-W26 PolarHBondContact O-N 3.1Å; A23-I27 WeakPolarHBondContact O-CG1 3.41Å; A23-I27 PolarHBondContact O-N 3.12Å
24	I	51.8	Low	44.1	Very low	111 Å²	111	109.6 Å²	109.6	57%	0.569	60%	0.601	S	S	*	*	H	α-helix	trans	-72.9	-36.8	177	-66.4	167.7	0	0	0	110.9	C20 I21 W26 I27 Y28	C20-I24 WeakPolarHBondContact O-CD1 3.48Å; C20-I24 VanDerWaalsContact O-CG1 3.29Å; C20-I24 WeakPolarHBondContact O-CG1 3.26Å; C20-I24 PolarHBondContact O-N 3.3Å; C20-I24 VanDerWaalsContact O-N 3.17Å; I21-I24 PolarHBondContact O-N 3.29Å; I24-W26 VanDerWaalsContact C-N 3.34Å; I24-I27 PolarHBondContact O-N 2.95Å; I24-Y28 WeakPolarHBondContact O-CB 3.39Å; I24-Y28 PolarHBondContact O-N 3.44Å
25	T	47	Very low	43.1	Very low	80 Å²	80	115.6 Å²	115.6	49%	0.491	62%	0.62	S	S	.	*	H	α-helix	trans	-65.6	-33.6	170.5	22.5	0	0	0	0	113.2	I21 P22 Y28 L29	I21-T25 PolarHBondContact O-N 3.01Å; I21-T25 PolarHBondContact O-OG1 3.04Å; P22-T25 WeakPolarHBondContact CA-OG1 3.32Å; P22-T25 PolarHBondContact O-N 3.11Å; P22-T25 PolarHBondContact O-OG1 3.1Å; T25-Y28 PolarHBondContact O-N 3.44Å; T25-L29 WeakPolarHBondContact O-CB 3.27Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; T25-L29 PolarHBondContact O-N 3.43Å; T25-L29 VanDerWaalsContact O-N 3.09Å
26	W	41.4	Very low	42.1	Very low	180 Å²	180	120.4 Å²	120.4	68%	0.682	64%	0.641	S	S	*	*	H	α-helix	trans	-69.8	-38.7	175.4	-114	61	0	0	0	112.4	P22 A23 I24 L29 F30	P22-W26 PolarHBondContact O-N 3.49Å; A23-W26 PolarHBondContact O-N 3.1Å; I24-W26 VanDerWaalsContact C-N 3.34Å; W26-L29 PolarHBondContact O-N 3Å; W26-F30 HydrophobicContact CE3-CD2 4.38Å; W26-F30 HydrophobicContact CE3-CE2 4.36Å; W26-F30 HydrophobicContact CH2-CE2 4.48Å; W26-F30 HydrophobicContact CZ3-CE2 4.3Å; W26-F30 PolarHBondContact O-N 3.15Å
27	I	46.3	Very low	41.1	Very low	119 Å²	119	118.8 Å²	118.8	61%	0.61	65%	0.65	S	S	*	*	H	α-helix	trans	-68.6	-35.5	174.8	-67.6	165.9	0	0	0	111.1	A23 I24 F30 S31	A23-I27 WeakPolarHBondContact O-CG1 3.41Å; A23-I27 PolarHBondContact O-N 3.12Å; I24-I27 PolarHBondContact O-N 2.95Å; I27-F30 PolarHBondContact O-N 3.2Å; I27-S31 VanDerWaalsContact O-CB 3.32Å; I27-S31 WeakPolarHBondContact O-CB 3.35Å; I27-S31 PolarHBondContact O-N 2.84Å; I27-S31 VanDerWaalsContact O-N 3.09Å; I27-S31 PolarHBondContact O-OG 2.98Å
28	Y	40.3	Very low	40	Very low	197 Å²	197	125.6 Å²	125.6	77%	0.773	67%	0.671	S	S	*	*	H	α-helix	trans	-71.5	-28.8	177	-139.8	-92.6	0	0	0	113.3	I24 T25	I24-Y28 WeakPolarHBondContact O-CB 3.39Å; I24-Y28 PolarHBondContact O-N 3.44Å; T25-Y28 PolarHBondContact O-N 3.44Å
29	L	38.4	Very low	39.4	Very low	137 Å²	137	124.2 Å²	124.2	72%	0.717	67%	0.671	S	S	*	*	H	α-helix	trans	-81.1	-22	175.9	-77.5	164.5	0	0	0	113.5	T25 W26	T25-L29 WeakPolarHBondContact O-CB 3.27Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; T25-L29 PolarHBondContact O-N 3.43Å; T25-L29 VanDerWaalsContact O-N 3.09Å; W26-L29 PolarHBondContact O-N 3Å
30	F	38.3	Very low	38.2	Very low	151 Å²	151	124.4 Å²	124.4	66%	0.662	68%	0.678	S	S	*	*	H	α-helix	trans	-105.2	-8.3	-178.7	-90.7	-84.5	0	0	0	115.2	W26 I27	W26-F30 HydrophobicContact CE3-CD2 4.38Å; W26-F30 HydrophobicContact CE3-CE2 4.36Å; W26-F30 HydrophobicContact CH2-CE2 4.48Å; W26-F30 HydrophobicContact CZ3-CE2 4.3Å; W26-F30 PolarHBondContact O-N 3.15Å; I27-F30 PolarHBondContact O-N 3.2Å
31	S	36.2	Very low	37	Very low	86 Å²	86	126.1 Å²	126.1	60%	0.601	69%	0.69	S	S	*	*	S	Bend	trans	-89.7	2.3	176.9	47.9	0	0	0	0	114.2	I27	I27-S31 VanDerWaalsContact O-CB 3.32Å; I27-S31 WeakPolarHBondContact O-CB 3.35Å; I27-S31 PolarHBondContact O-N 2.84Å; I27-S31 VanDerWaalsContact O-N 3.09Å; I27-S31 PolarHBondContact O-OG 2.98Å
32	G	34.4	Very low	36	Very low	64 Å²	64	129.1 Å²	129.1	66%	0.66	71%	0.707	S	S	*	*	S	Bend	trans	-106.9	25.9	-178.6	0	0	0	0	0	115
33	S	32.4	Very low	35	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	72%	0.718	S	S	*	*			trans	-149.8	133.9	171.7	-74.9	0	0	0	0	111.1
34	F	28.6	Very low	34.8	Very low	209 Å²	209	133.9 Å²	133.9	92%	0.917	74%	0.736	S	S	*	*			trans	85.4	112.3	-167.5	-64.9	-85.3	0	0	0	112.8
35	E	27.5	Very low	33.5	Very low	178 Å²	178	137.2 Å²	137.2	83%	0.832	75%	0.754	S	S	*	*			cis	-135.1	130.2	45.7	-59.9	-179.7	139.8	0	0	112.7
36	D	29.1	Very low	32.4	Very low	165 Å²	165	142.2 Å²	142.2	88%	0.882	77%	0.771	S	S	*	*	S	Bend		164.4	131.7	89.8	-119.8	-19.5	0	0	0	111.1
37	G	27	Very low	31.8	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	77%	0.774	S	S	*	*			trans	134.7	101.5	167.7	0	0	0	0	0	116
38	K	27.8	Very low	30.7	Very low	211 Å²	211	142.5 Å²	142.5	92%	0.917	79%	0.79	S	S	*	*			trans	-71.8	165.9	-165.3	-86.1	178	-179.5	173.3	0	117.8
39	P	36.6	Very low	30.4	Very low	112 Å²	112	136.8 Å²	136.8	73%	0.727	78%	0.783	S	S	*	*			trans	-106.9	164.8	-162.9	40.6	-31.4	0	0	0	114
40	V	24.4	Very low	30	Very low	143 Å²	143	139.2 Å²	139.2	87%	0.867	79%	0.791	S	S	*	*			trans	-143.4	108.3	155.9	-176.2	0	0	0	0	112.4
41	S	23.8	Very low	29.6	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	80%	0.798	S	S	*	*			trans	40.3	110.6	135.5	-159.2	0	0	0	0	120.7
42	L	28.4	Very low	30.1	Very low	181 Å²	181	138.9 Å²	138.9	95%	0.948	80%	0.804	S	S	*	*			trans	-93.5	127.1	148.5	-79.6	160.9	0	0	0	108.5
43	S	26.5	Very low	29.8	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	82%	0.816	S	S	*	*			trans	-123.7	150.4	158.2	44.2	0	0	0	0	109.9
44	P	44.1	Very low	30.1	Very low	119 Å²	119	153.7 Å²	153.7	77%	0.773	83%	0.827	S	S	*	*			trans	-94.4	156	-164	37.1	-32	0	0	0	111.7
45	L	24.2	Very low	30.4	Very low	180 Å²	180	150.3 Å²	150.3	94%	0.942	82%	0.824	S	S	*	*			trans	-140.6	136.4	161.5	-134.9	88.4	0	0	0	111.8
46	E	24.2	Very low	30.7	Very low	185 Å²	185	146 Å²	146	86%	0.864	82%	0.818	S	S	*	*			trans	-69.7	169.3	-173.9	-71.5	169.9	131.5	0	0	115.1
47	S	30.1	Very low	31.2	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	81%	0.811	S	S	*	*			trans	-35	137.3	170.7	54	0	0	0	0	117.9
48	Q	23.4	Very low	32.3	Very low	199 Å²	199	143.6 Å²	143.6	93%	0.93	80%	0.803	S	S	*	*				-168.5	160.2	120.3	-105.9	175.1	14.9	0	0	112.8
49	A	33.5	Very low	32.9	Very low	77 Å²	77	139.6 Å²	139.6	64%	0.636	79%	0.788	S	S	*	*			trans	-71.6	163.5	-164.3	0	0	0	0	0	116
50	H	28.7	Very low	33.3	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.875	79%	0.791	S	S	*	*			trans	129.6	121.7	151.2	-64.1	-60.5	0	0	0	114.2
51	S	31	Very low	34.5	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	78%	0.781	S	S	*	*			trans	-62.6	174.7	166.8	-41.3	0	0	0	0	111.7
52	P	46.3	Very low	35.8	Very low	113 Å²	113	148.2 Å²	148.2	73%	0.734	78%	0.781	S	S	*	*			cis	-141.1	-175.5	4.4	35.4	-12.1	0	0	0	116.3
53	R	28.2	Very low	37.1	Very low	242 Å²	242	144.7 Å²	144.7	91%	0.913	76%	0.76	S	S	*	*			trans	105.5	112.2	157.8	-66.3	-178.4	176.9	175.5	-0.1	119.3
54	Y	38.5	Very low	38.6	Very low	228 Å²	228	143.1 Å²	143.1	89%	0.894	75%	0.749	S	S	*	*			trans	-70.2	133	161.6	-83.2	-100.8	0	0	0	111.2
55	T	35.5	Very low	38.9	Very low	139 Å²	139	143 Å²	143	85%	0.853	74%	0.741	S	S	*	*			trans	162.7	126.1	135.8	42.7	0	0	0	0	110.2
56	A	33.4	Very low	40.6	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	72%	0.719	S	S	*	*	S	Bend	trans	178.2	-27.4	145	0	0	0	0	0	115
57	S	39.5	Very low	42.9	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	70%	0.702	S	S	*	*	H	α-helix	trans	-82	-24	-171.2	66.1	0	0	0	0	115.3
58	S	49.6	Very low	44.5	Very low	84 Å²	84	137.8 Å²	137.8	59%	0.587	70%	0.698	S	S	*	*	H	α-helix	trans	-85.7	-8.2	-172.5	74.8	0	0	0	0	115.2
59	Q	40.9	Very low	45.9	Very low	127 Å²	127	133.5 Å²	133.5	59%	0.593	68%	0.68	S	S	*	*	H	α-helix	trans	-84.9	-39	-174	-157.8	166.3	-5.9	0	0	111.7	E61 R62 E63	Q59-E61 PolarHBondContact O-N 3.36Å; Q59-R62 PolarHBondContact O-N 3.36Å; Q59-E63 WeakPolarHBondContact O-CG 3.31Å; Q59-E63 PolarHBondContact O-N 2.98Å
60	R	45	Very low	47.8	Very low	209 Å²	209	138 Å²	138	79%	0.789	68%	0.68	S	S	*	*	H	α-helix	trans	-65.6	-36.5	174.6	-83	-175.3	178.4	179.9	-0.1	113.5	R62 S64	R60-R62 VanDerWaalsContact C-N 3.33Å; R60-S64 VanDerWaalsContact O-CB 3.26Å; R60-S64 WeakPolarHBondContact O-CB 3.49Å; R60-S64 PolarHBondContact O-N 3.46Å
61	E	50.1	Low	49.9	Very low	142 Å²	142	134.8 Å²	134.8	66%	0.664	67%	0.665	S	S	*	*	H	α-helix	trans	-69.1	-33.8	175.8	-72.3	-178.7	159.7	0	0	111.7	Q59 L65	Q59-E61 PolarHBondContact O-N 3.36Å; E61-L65 PolarHBondContact O-N 2.79Å
62	R	50.3	Low	51.4	Low	182 Å²	182	132.7 Å²	132.7	69%	0.687	65%	0.648	S	S	*	*	H	α-helix	trans	-70.5	-44	176.7	-134.8	174	-175.5	171.6	0.3	112	Q59 R60 L65 E66	Q59-R62 PolarHBondContact O-N 3.36Å; R60-R62 VanDerWaalsContact C-N 3.33Å; R62-L65 PolarHBondContact O-N 3.28Å; R62-E66 WeakPolarHBondContact O-CG 3.32Å; R62-E66 PolarHBondContact O-N 2.76Å
63	E	55.9	Low	52.1	Low	107 Å²	107	132.3 Å²	132.3	50%	0.5	64%	0.636	S	S	.	*	H	α-helix	trans	-64.4	-39.8	174.9	-73.5	171	-178.2	0	0	111.5	Q59 L65 E66 V67	Q59-E63 WeakPolarHBondContact O-CG 3.31Å; Q59-E63 PolarHBondContact O-N 2.98Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 2.91Å; E63-E66 PolarHBondContact O-N 3.39Å; E63-V67 VanDerWaalsContact O-CG2 3.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 3.03Å
64	S	58.4	Low	54.3	Low	70 Å²	70	127 Å²	127	49%	0.49	62%	0.621	S	S	.	*	H	α-helix	trans	-60.8	-41	173.4	166.9	0	0	0	0	112.6	R60 R68	R60-S64 VanDerWaalsContact O-CB 3.26Å; R60-S64 WeakPolarHBondContact O-CB 3.49Å; R60-S64 PolarHBondContact O-N 3.46Å; S64-R68 WeakPolarHBondContact O-CB 3.27Å; S64-R68 PolarHBondContact O-N 2.85Å
65	L	49.1	Very low	55.6	Low	115 Å²	115	122.2 Å²	122.2	60%	0.602	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-39.7	178.1	-132.2	93.4	0	0	0	111.9	E61 R62 E63 R68 M69	E61-L65 PolarHBondContact O-N 2.79Å; R62-L65 PolarHBondContact O-N 3.28Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 2.91Å; L65-R68 PolarHBondContact O-N 2.89Å; L65-M69 WeakPolarHBondContact O-CG 3.42Å; L65-M69 PolarHBondContact O-N 3.38Å
66	E	60.5	Low	56.4	Low	103 Å²	103	119.6 Å²	119.6	48%	0.481	59%	0.588	S	S	.	*	H	α-helix	trans	-66.5	-39.3	178.2	-78.6	-178.4	-175.3	0	0	112.4	R62 E63 M69 R70	R62-E66 WeakPolarHBondContact O-CG 3.32Å; R62-E66 PolarHBondContact O-N 2.76Å; E63-E66 PolarHBondContact O-N 3.39Å; E66-M69 PolarHBondContact O-N 3.22Å; E66-R70 WeakPolarHBondContact O-CG 3.37Å; E66-R70 PolarHBondContact O-N 3.07Å
67	V	73.2	Confident	58.2	Low	84 Å²	84	122.2 Å²	122.2	51%	0.509	58%	0.58	S	S	.	*	H	α-helix	trans	-62.6	-45.3	173.5	171.5	0	0	0	0	110.3	E63 M69 R70 E71	E63-V67 VanDerWaalsContact O-CG2 3.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 3.03Å; V67-M69 VanDerWaalsContact C-N 3.35Å; V67-M69 PolarHBondContact O-N 3.29Å; V67-R70 PolarHBondContact O-N 3.38Å; V67-E71 PolarHBondContact O-N 2.95Å
68	R	63	Low	59.8	Low	175 Å²	175	119.4 Å²	119.4	66%	0.66	56%	0.563	S	S	*	*	H	α-helix	trans	-67.9	-33.1	-179.3	-152.7	164.9	-178.7	175	-1	112.8	S64 L65 V72	S64-R68 WeakPolarHBondContact O-CB 3.27Å; S64-R68 PolarHBondContact O-N 2.85Å; L65-R68 PolarHBondContact O-N 2.89Å; R68-V72 VanDerWaalsContact O-CG2 3.29Å; R68-V72 WeakPolarHBondContact O-CG2 3.4Å; R68-V72 PolarHBondContact O-N 3.3Å; R68-V72 VanDerWaalsContact O-N 3.16Å
69	M	53.6	Low	60.1	Low	110 Å²	110	119.5 Å²	119.5	54%	0.542	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-40.1	171.7	-79.9	-177.6	62.3	0	0	112.1	L65 E66 V67 V72 E73	L65-M69 WeakPolarHBondContact O-CG 3.42Å; L65-M69 PolarHBondContact O-N 3.38Å; E66-M69 PolarHBondContact O-N 3.22Å; V67-M69 VanDerWaalsContact C-N 3.35Å; V67-M69 PolarHBondContact O-N 3.29Å; M69-V72 PolarHBondContact O-N 2.91Å; M69-E73 WeakPolarHBondContact O-CG 3.28Å; M69-E73 PolarHBondContact O-N 3.1Å
70	R	72.4	Confident	61.1	Low	172 Å²	172	122.6 Å²	122.6	65%	0.649	56%	0.563	S	S	*	*	H	α-helix	trans	-65.5	-40	176.1	-74.6	-176.6	-167.7	173.5	7.7	112.3	E66 V67 E73 E74	E66-R70 WeakPolarHBondContact O-CG 3.37Å; E66-R70 PolarHBondContact O-N 3.07Å; V67-R70 PolarHBondContact O-N 3.38Å; R70-E73 PolarHBondContact O-N 3.01Å; R70-E74 PolarHBondContact O-N 3.17Å
71	E	72.5	Confident	62	Low	120 Å²	120	121.2 Å²	121.2	56%	0.561	56%	0.557	S	S	*	*	H	α-helix	trans	-60.3	-46.1	174.7	-73.5	175.2	167.4	0	0	111.3	V67 E73 E74 E75	V67-E71 PolarHBondContact O-N 2.95Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-E73 PolarHBondContact O-N 3.36Å; E71-E74 PolarHBondContact O-N 3.21Å; E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 PolarHBondContact O-N 2.65Å
72	V	64.1	Low	62.8	Low	73 Å²	73	120.7 Å²	120.7	44%	0.442	56%	0.555	S	S	.	*	H	α-helix	trans	-65.5	-33.9	177.1	171.2	0	0	0	0	112.3	R68 M69 N76	R68-V72 VanDerWaalsContact O-CG2 3.29Å; R68-V72 WeakPolarHBondContact O-CG2 3.4Å; R68-V72 PolarHBondContact O-N 3.3Å; R68-V72 VanDerWaalsContact O-N 3.16Å; M69-V72 PolarHBondContact O-N 2.91Å; V72-N76 WeakPolarHBondContact O-CB 3.49Å; V72-N76 PolarHBondContact O-N 3.32Å; V72-N76 PolarHBondContact O-ND2 2.96Å
73	E	61.1	Low	62.7	Low	104 Å²	104	117.4 Å²	117.4	49%	0.486	55%	0.551	S	S	.	*	H	α-helix	trans	-71.3	-35.9	175.1	-79.4	-176.5	175.4	0	0	113.1	M69 R70 E71 R77	M69-E73 WeakPolarHBondContact O-CG 3.28Å; M69-E73 PolarHBondContact O-N 3.1Å; R70-E73 PolarHBondContact O-N 3.01Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-E73 PolarHBondContact O-N 3.36Å; E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 PolarHBondContact O-N 3.46Å
74	E	73.1	Confident	62.6	Low	130 Å²	130	116.1 Å²	116.1	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-69.5	-41.2	173.4	-78.9	-169.2	156	0	0	111.6	R70 E71 R77 A78	R70-E74 PolarHBondContact O-N 3.17Å; E71-E74 PolarHBondContact O-N 3.21Å; E74-R77 WeakPolarHBondContact O-CB 3.43Å; E74-R77 PolarHBondContact O-N 3.13Å; E74-R77 VanDerWaalsContact O-N 3.13Å; E74-A78 PolarHBondContact O-N 2.89Å
75	E	66.7	Low	62.4	Low	129 Å²	129	119 Å²	119	60%	0.603	56%	0.563	S	S	*	*	H	α-helix	trans	-63.5	-42.6	176.7	-157.4	173.1	-154.5	0	0	111.2	E71 R77 A78 L79	E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 PolarHBondContact O-N 2.65Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 3.11Å; E75-A78 PolarHBondContact O-N 3.16Å; E75-L79 PolarHBondContact O-N 2.73Å
76	N	52.7	Low	62.2	Low	83 Å²	83	117.3 Å²	117.3	44%	0.444	57%	0.565	S	S	.	*	H	α-helix	trans	-64.1	-35.3	172	-87.5	-53.4	0	0	0	113.1	V72 R80	V72-N76 WeakPolarHBondContact O-CB 3.49Å; V72-N76 PolarHBondContact O-N 3.32Å; V72-N76 PolarHBondContact O-ND2 2.96Å; N76-R80 VanDerWaalsContact O-CG 3.31Å; N76-R80 WeakPolarHBondContact O-CG 3.45Å; N76-R80 PolarHBondContact O-N 3.01Å
77	R	71.2	Confident	61.5	Low	141 Å²	141	120.5 Å²	120.5	53%	0.532	58%	0.58	S	S	.	*	H	α-helix	trans	-68	-38.8	174.1	-111.4	-178.8	-79.4	175.7	-7.1	111.8	E73 E74 E75 R80 R81	E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 PolarHBondContact O-N 3.46Å; E74-R77 WeakPolarHBondContact O-CB 3.43Å; E74-R77 PolarHBondContact O-N 3.13Å; E74-R77 VanDerWaalsContact O-N 3.13Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 3.11Å; R77-R80 PolarHBondContact O-N 2.63Å; R77-R81 WeakPolarHBondContact O-CG 3.32Å; R77-R81 PolarHBondContact O-N 3.39Å; R77-R81 VanDerWaalsContact O-N 3.09Å
78	A	72.1	Confident	59.9	Low	48 Å²	48	119.5 Å²	119.5	40%	0.397	59%	0.586	S	S	.	*	H	α-helix	trans	-65.8	-43.8	175.7	0	0	0	0	0	111.5	E74 E75 R80 R81 Q82	E74-A78 PolarHBondContact O-N 2.89Å; E75-A78 PolarHBondContact O-N 3.16Å; A78-R80 PolarHBondContact O-N 2.85Å; A78-R81 PolarHBondContact O-N 3.33Å; A78-R81 VanDerWaalsContact O-N 3.17Å; A78-Q82 WeakPolarHBondContact O-CG 3.27Å; A78-Q82 PolarHBondContact O-N 2.95Å
79	L	55.8	Low	58.8	Low	85 Å²	85	122.6 Å²	122.6	45%	0.445	60%	0.598	S	S	.	*	H	α-helix	trans	-59.4	-43.4	174.3	-81.4	160.7	0	0	0	112.1	E75 R81 Q82 L83	E75-L79 PolarHBondContact O-N 2.73Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 2.99Å; L79-Q82 PolarHBondContact O-N 3.29Å; L79-L83 PolarHBondContact O-N 3.17Å
80	R	61.8	Low	57.8	Low	192 Å²	192	121.8 Å²	121.8	73%	0.725	61%	0.609	S	S	*	*	H	α-helix	trans	-63.1	-36.8	175.2	-73.9	176.8	-177.7	-166.5	1.6	112.8	N76 R77 A78 S84	N76-R80 VanDerWaalsContact O-CG 3.31Å; N76-R80 WeakPolarHBondContact O-CG 3.45Å; N76-R80 PolarHBondContact O-N 3.01Å; R77-R80 PolarHBondContact O-N 2.63Å; A78-R80 PolarHBondContact O-N 2.85Å; R80-S84 WeakPolarHBondContact O-CB 3.32Å; R80-S84 PolarHBondContact O-N 3.36Å
81	R	64.1	Low	56	Low	180 Å²	180	120 Å²	120	68%	0.679	62%	0.62	S	S	*	*	H	α-helix	trans	-68.5	-38.2	173.9	-74	-179.4	-176	-179.2	2.2	112.1	R77 A78 L79 S84 L85	R77-R81 WeakPolarHBondContact O-CG 3.32Å; R77-R81 PolarHBondContact O-N 3.39Å; R77-R81 VanDerWaalsContact O-N 3.09Å; A78-R81 PolarHBondContact O-N 3.33Å; A78-R81 VanDerWaalsContact O-N 3.17Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 2.99Å; R81-S84 PolarHBondContact O-N 3.45Å; R81-L85 WeakPolarHBondContact O-CG 3.38Å; R81-L85 PolarHBondContact O-N 3.04Å
82	Q	66.4	Low	54	Low	131 Å²	131	118.6 Å²	118.6	61%	0.612	63%	0.629	S	S	*	*	H	α-helix	trans	-66.5	-40.3	175.7	-73.6	-179.1	-8.6	0	0	112.2	A78 L79 L85 A86	A78-Q82 WeakPolarHBondContact O-CG 3.27Å; A78-Q82 PolarHBondContact O-N 2.95Å; L79-Q82 PolarHBondContact O-N 3.29Å; Q82-L85 PolarHBondContact O-N 3.45Å; Q82-A86 PolarHBondContact O-N 3.34Å
83	L	48.1	Very low	52.4	Low	114 Å²	114	123.8 Å²	123.8	60%	0.597	65%	0.648	S	S	*	*	H	α-helix	trans	-62.9	-39.2	172.8	-89.6	147.8	0	0	0	112.7	L79 A86 Q87	L79-L83 PolarHBondContact O-N 3.17Å; L83-A86 PolarHBondContact O-N 2.93Å; L83-Q87 PolarHBondContact O-N 2.91Å
84	S	53.9	Low	50.9	Low	80 Å²	80	129.9 Å²	129.9	56%	0.559	67%	0.666	S	S	*	*	H	α-helix	trans	-65	-36.2	174.1	163.4	0	0	0	0	112.7	R80 R81	R80-S84 WeakPolarHBondContact O-CB 3.32Å; R80-S84 PolarHBondContact O-N 3.36Å; R81-S84 PolarHBondContact O-N 3.45Å
85	L	55.3	Low	48.8	Very low	130 Å²	130	135.2 Å²	135.2	68%	0.681	68%	0.681	S	S	*	*	H	α-helix	trans	-75.4	-28.6	178.1	-71.4	164.5	0	0	0	112.9	R81 Q82 Q87 G88	R81-L85 WeakPolarHBondContact O-CG 3.38Å; R81-L85 PolarHBondContact O-N 3.04Å; Q82-L85 PolarHBondContact O-N 3.45Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 2.85Å; L85-G88 PolarHBondContact O-N 2.92Å
86	A	45.6	Very low	46.8	Very low	80 Å²	80	132.8 Å²	132.8	66%	0.661	69%	0.69	S	S	*	*	H	α-helix	trans	-70.1	-25	175.3	0	0	0	0	0	113.2	Q82 L83 G88	Q82-A86 PolarHBondContact O-N 3.34Å; L83-A86 PolarHBondContact O-N 2.93Å; A86-G88 VanDerWaalsContact C-N 3.3Å; A86-G88 PolarHBondContact O-N 3.36Å
87	Q	45.7	Very low	45.7	Very low	170 Å²	170	135.3 Å²	135.3	79%	0.794	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-3.7	175.7	-71	178.7	-17.6	0	0	113.7	L83 L85	L83-Q87 PolarHBondContact O-N 2.91Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 2.85Å
88	G	39.5	Very low	43.7	Very low	62 Å²	62	138 Å²	138	64%	0.639	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	7.7	-176.5	0	0	0	0	0	116.7	L85 A86	L85-G88 PolarHBondContact O-N 2.92Å; A86-G88 VanDerWaalsContact C-N 3.3Å; A86-G88 PolarHBondContact O-N 3.36Å
89	R	38.7	Very low	41.6	Very low	241 Å²	241	140.7 Å²	140.7	91%	0.909	74%	0.738	S	S	*	*			trans	-124.2	81.2	-179.5	-75.2	-174.9	176	179.9	-0.3	112.6
90	A	33.6	Very low	40.2	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	76%	0.756	S	S	*	*	S	Bend	trans	-138.4	141.8	151.6	0	0	0	0	0	109.1
91	P	33.3	Very low	38.5	Very low	135 Å²	135	142 Å²	142	88%	0.877	76%	0.756	S	S	*	*			trans	-79.4	144.2	-165.3	-7.1	25.1	0	0	0	113.4
92	A	31.8	Very low	36.6	Very low	91 Å²	91	143.9 Å²	143.9	75%	0.752	76%	0.764	S	S	*	*			trans	-75.1	147.5	179.1	0	0	0	0	0	113.9
93	H	29.4	Very low	34.7	Very low	182 Å²	182	142.1 Å²	142.1	84%	0.843	77%	0.766	S	S	*	*			trans	-132.8	104.4	150.8	-108	-73.5	0	0	0	112.2
94	R	29.3	Very low	33.6	Very low	232 Å²	232	144.5 Å²	144.5	88%	0.875	78%	0.776	S	S	*	*			trans	39.8	117.1	150.1	-67	-173.8	176.6	-178.1	-1.3	122
95	R	29.3	Very low	32.4	Very low	241 Å²	241	148.6 Å²	148.6	91%	0.909	79%	0.786	S	S	*	*			trans	-52.3	143.6	161.1	-80.5	175	166.1	172.1	-5.4	114.9
96	G	26.2	Very low	30.9	Very low	78 Å²	78	151.5 Å²	151.5	80%	0.804	80%	0.797	S	S	*	*			trans	-133.8	126.7	144.4	0	0	0	0	0	109.2
97	N	28.1	Very low	30.3	Very low	137 Å²	137	151 Å²	151	73%	0.733	80%	0.799	S	S	*	*			trans	-68.4	141.2	-175.5	-80.4	-22.6	0	0	0	113
98	H	30	Very low	29.4	Very low	198 Å²	198	149.7 Å²	149.7	92%	0.917	80%	0.803	S	S	*	*				-169.8	154.4	118.2	-95.7	-14.3	0	0	0	114
99	S	27.9	Very low	28.8	Very low	104 Å²	104	149.8 Å²	149.8	73%	0.727	80%	0.804	S	S	*	*			trans	-85.6	136.3	-168.1	166	0	0	0	0	112.2
100	K	26.9	Very low	28.4	Very low	187 Å²	187	146.1 Å²	146.1	81%	0.813	80%	0.802	S	S	*	*				164.9	132.8	124.4	-91	175.6	-179.6	-180	0	112.2
101	T	26.1	Very low	28.1	Very low	118 Å²	118	147.7 Å²	147.7	72%	0.724	81%	0.807	S	S	*	*			trans	-2.9	148.2	144.7	12	0	0	0	0	121.8
102	Y	23.7	Very low	28.3	Very low	219 Å²	219	149.6 Å²	149.6	86%	0.859	81%	0.805	S	S	*	*			trans	104.1	149.3	153	-89.4	-84.3	0	0	0	120.4
103	S	25.4	Very low	28.4	Very low	94 Å²	94	152.4 Å²	152.4	66%	0.657	81%	0.807	S	S	*	*			trans	-71.2	170.8	-166.7	-26.7	0	0	0	0	116.3
104	M	25.2	Very low	28.5	Very low	163 Å²	163	151.9 Å²	151.9	80%	0.803	81%	0.81	S	S	*	*			trans	74.2	129.3	153.4	-88.2	-175	155	0	0	120.2
105	E	29.7	Very low	28.5	Very low	166 Å²	166	152.7 Å²	152.7	78%	0.776	81%	0.813	S	S	*	*			trans	63.9	157.9	140	-67	-172.8	166.8	0	0	121.7
106	E	24.3	Very low	28.8	Very low	192 Å²	192	146.5 Å²	146.5	90%	0.897	81%	0.813	S	S	*	*			trans	83.7	121.9	179.1	-55.2	-174.7	162.4	0	0	114.7
107	G	32.4	Very low	29	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	81%	0.809	S	S	*	*			cis	91.1	94.3	29.9	0	0	0	0	0	109.4
108	T	27.2	Very low	29.1	Very low	143 Å²	143	147.9 Å²	147.9	88%	0.877	82%	0.817	S	S	*	*			trans	-158.8	126.7	164.6	53.5	0	0	0	0	107.3
109	G	27.2	Very low	29.6	Very low	63 Å²	63	145 Å²	145	65%	0.649	81%	0.813	S	S	*	*			cis	81.6	103	32.9	0	0	0	0	0	109.4
110	D	30.1	Very low	29.9	Very low	164 Å²	164	144.9 Å²	144.9	88%	0.877	82%	0.818	S	S	*	*			trans	58.3	116.9	157.4	-58	-21.8	0	0	0	121.4
111	S	27.6	Very low	30	Very low	125 Å²	125	139.4 Å²	139.4	87%	0.874	82%	0.815	S	S	*	*			trans	-147.3	55.2	146.6	168.1	0	0	0	0	109.4
112	E	37.3	Very low	30.6	Very low	175 Å²	175	142.1 Å²	142.1	82%	0.818	83%	0.825	S	S	*	*			trans	-93.1	121.3	148.7	-79.3	-163.4	155.9	0	0	107.6
113	N	33.9	Very low	31	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	82%	0.821	S	S	*	*			trans	124.3	71.5	168.4	-67.3	-33.6	0	0	0	114.1
114	L	30.2	Very low	31.6	Very low	171 Å²	171	137.9 Å²	137.9	90%	0.895	83%	0.827	S	S	*	*	S	Bend	trans	-161.7	81.6	144.9	-113.3	134	0	0	0	110.4
115	R	30.9	Very low	32.2	Very low	249 Å²	249	139.5 Å²	139.5	94%	0.94	83%	0.832	S	S	*	*			trans	175.3	68.9	144.1	-96.4	165.4	-175.6	-166.6	2.5	110.4
116	A	34.1	Very low	32.6	Very low	111 Å²	111	137.4 Å²	137.4	92%	0.917	84%	0.835	S	S	*	*			trans	-87.7	121.6	153.3	0	0	0	0	0	107.8
117	G	30.5	Very low	33.4	Very low	69 Å²	69	131.3 Å²	131.3	71%	0.711	82%	0.824	S	S	*	*			trans	107.3	78.1	161.8	0	0	0	0	0	116.4
118	I	31.2	Very low	34.1	Very low	175 Å²	175	137.3 Å²	137.3	90%	0.897	83%	0.833	S	S	*	*				-146.6	118.3	123	-57.8	-170.7	0	0	0	107
119	V	39.7	Very low	35.4	Very low	138 Å²	138	136.9 Å²	136.9	84%	0.836	82%	0.821	S	S	*	*			trans	-86.6	149.9	177.5	171.8	0	0	0	0	110.1
120	A	34.2	Very low	37.1	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	81%	0.806	S	S	*	*			trans	105.5	110.6	157.3	0	0	0	0	0	116.7
121	G	30.2	Very low	39.4	Very low	72 Å²	72	134.9 Å²	134.9	74%	0.742	80%	0.803	S	S	*	*			trans	145.7	89.8	156	0	0	0	0	0	114.8
122	N	37.5	Very low	42.4	Very low	175 Å²	175	129.7 Å²	129.7	94%	0.936	77%	0.766	S	S	*	*			trans	27.7	89.7	156.1	-74	-8	0	0	0	117.6
123	S	33.1	Very low	45	Very low	113 Å²	113	128.4 Å²	128.4	79%	0.79	76%	0.76	S	S	*	*			trans	-105.4	113.7	157	57.5	0	0	0	0	109	E125	S123-E125 PolarHBondContact O-N 3.35Å
124	S	38.1	Very low	47.6	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	75%	0.747	S	S	*	*			trans	-37.2	130.6	162.5	46.1	0	0	0	0	111.8	C126	S124-C126 VanDerWaalsContact C-N 3.3Å; S124-C126 PolarHBondContact O-N 3.16Å
125	E	37.1	Very low	50.6	Low	198 Å²	198	121.7 Å²	121.7	93%	0.925	72%	0.723	S	S	*	*			trans	-55.5	90.4	168.9	-73.5	-179.4	148.9	0	0	110.1	S123 G127	S123-E125 PolarHBondContact O-N 3.35Å; E125-G127 VanDerWaalsContact C-N 3.3Å; E125-G127 PolarHBondContact O-N 3.35Å; E125-G127 VanDerWaalsContact O-N 3.14Å
126	C	38.8	Very low	53.6	Low	122 Å²	122	112 Å²	112	82%	0.824	69%	0.688	S	S	*	*			trans	-77.6	92.5	159.6	-153.9	0	0	0	0	105.2	S124 Q128	S124-C126 VanDerWaalsContact C-N 3.3Å; S124-C126 PolarHBondContact O-N 3.16Å; C126-Q128 PolarHBondContact O-N 2.99Å
127	G	40	Very low	56.6	Low	64 Å²	64	109.3 Å²	109.3	66%	0.66	66%	0.66	S	S	*	*			trans	-51.1	116.4	-175.3	0	0	0	0	0	111	E125 Q129	E125-G127 VanDerWaalsContact C-N 3.3Å; E125-G127 PolarHBondContact O-N 3.35Å; E125-G127 VanDerWaalsContact O-N 3.14Å; G127-Q129 PolarHBondContact O-N 3.27Å
128	Q	47.6	Very low	59.8	Low	194 Å²	194	106 Å²	106	91%	0.907	63%	0.626	S	S	*	*			trans	-57.8	113.7	172.2	-71.1	-179.9	-15.8	0	0	107.5	C126	C126-Q128 PolarHBondContact O-N 2.99Å
129	Q	55.2	Low	63	Low	134 Å²	134	99.4 Å²	99.4	63%	0.626	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-61.8	142.6	172.4	-71.4	-165	-9.8	0	0	108.7	G127 V131	G127-Q129 PolarHBondContact O-N 3.27Å; Q129-V131 PolarHBondContact O-N 3.27Å; Q129-V131 VanDerWaalsContact O-N 3.08Å
130	P	62.3	Low	65.9	Low	52 Å²	52	92.9 Å²	92.9	34%	0.338	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-57	119.9	175.7	-12.6	22.7	0	0	0	108.9	A256 H259	P130-A256 WeakPolarHBondContact O-CB 3.45Å; P130-H259 HydrophobicContact CB-CB 4.11Å; P130-H259 HydrophobicContact CG-CB 4.03Å
131	V	79.1	Confident	68.9	Low	133 Å²	133	88 Å²	88	81%	0.806	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-86.5	123.4	-179.5	-176	0	0	0	0	107.8	Q129	Q129-V131 PolarHBondContact O-N 3.27Å; Q129-V131 VanDerWaalsContact O-N 3.08Å
132	V	90.6	Very high	72.2	Confident	16 Å²	16	84.6 Å²	84.6	10%	0.097	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-69.6	130.9	169.4	-178.6	0	0	0	0	107.7	K134 E136 A252 W255 A256	V132-K134 PolarHBondContact O-N 3.45Å; V132-E136 HydrophobicContact CG1-CB 4.06Å; V132-E136 HydrophobicContact CG1-CG 4.49Å; V132-E136 WeakPolarHBondContact CG1-OE2 3.48Å; V132-A252 HydrophobicContact CB-CB 4.33Å; V132-A252 HydrophobicContact CG2-CB 4.23Å; V132-A252 VanDerWaalsContact CG2-O 3.28Å; V132-A252 WeakPolarHBondContact CG2-O 3.46Å; V132-W255 HydrophobicContact CG2-CB 4.42Å; V132-A256 HydrophobicContact CG2-CB 3.87Å
133	E	91.9	Very high	75.1	Confident	149 Å²	149	77.3 Å²	77.3	70%	0.696	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-62.7	140.6	-179.9	-64.1	-175.2	172.5	0	0	110.1	C135 E136 N166	E133-C135 PolarHBondContact O-N 3.37Å; E133-E136 HydrophobicContact CB-CB 4.14Å; E133-E136 VanDerWaalsContact O-CB 3.31Å; E133-E136 WeakPolarHBondContact O-CB 3.38Å; E133-E136 PolarHBondContact O-N 2.75Å; E133-N166 PolarHBondContact O-ND2 3.49Å
134	K	88.3	Confident	78.1	Confident	126 Å²	126	72 Å²	72	55%	0.548	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.5	-171.8	-178	-174.2	172.9	-164.7	0	114	V132 N166 G418	V132-K134 PolarHBondContact O-N 3.45Å; K134-N166 PolarHBondContact O-ND2 3.23Å; K134-G418 PolarHBondContact NZ-O 3.16Å
135	C	92.2	Very high	80.8	Confident	55 Å²	55	67.7 Å²	67.7	37%	0.372	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	11.8	-177.5	-61.1	0	0	0	0	113.4	E133 T137 C419	E133-C135 PolarHBondContact O-N 3.37Å; C135-T137 PolarHBondContact O-N 3.07Å; C135-C419 WeakPolarHBondContact CA-SG 3.43Å; C135-C419 HydrophobicContact CB-CB 3.78Å; C135-C419 WeakPolarHBondContact CB-SG 3.49Å; C135-C419 WeakPolarHBondContact SG-CA 3.17Å; C135-C419 WeakPolarHBondContact SG-CB 3.28Å; C135-C419 CovalentContact SG-SG 2.05Å; C135-C419 PolarHBondContact SG-SG 3.42Å
136	E	94.7	Very high	83.6	Confident	45 Å²	45	59 Å²	59	21%	0.21	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-65.9	129.1	167.1	-169.7	-177.1	162.9	0	0	109.3	V132 E133 N166 R237 W255	V132-E136 HydrophobicContact CG1-CB 4.06Å; V132-E136 HydrophobicContact CG1-CG 4.49Å; V132-E136 WeakPolarHBondContact CG1-OE2 3.48Å; E133-E136 HydrophobicContact CB-CB 4.14Å; E133-E136 VanDerWaalsContact O-CB 3.31Å; E133-E136 WeakPolarHBondContact O-CB 3.38Å; E133-E136 PolarHBondContact O-N 2.75Å; E136-N166 PolarHBondContact O-ND2 2.78Å; E136-R237 IonicContact OE1-CZ 2.65Å; E136-R237 IonicContact OE1-NE 3.39Å; E136-R237 IonicContact OE1-NH2 3.46Å; E136-R237 PolarHBondContact OE1-NH2 2.64Å; E136-R237 IonicContact OE2-NH2 3.88Å; E136-W255 PolarHBondContact OE1-NE1 3.48Å
137	T	96.3	Very high	86.3	Confident	54 Å²	54	54.9 Å²	54.9	33%	0.331	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-80.3	126.5	177.6	-62.1	0	0	0	0	110.2	C135 H139 P167 H169	C135-T137 PolarHBondContact O-N 3.07Å; T137-H139 PolarHBondContact O-CD2 3.17Å; T137-P167 WeakPolarHBondContact CA-O 3.45Å; T137-H169 HydrophobicContact CG2-CB 3.67Å
138	I	98.3	Very high	88.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.3	175.9	-60.2	174.5	0	0	0	108.7	V140 N166 P167 L168 H169 I239 I251 A252 W255	I138-V140 HydrophobicContact CG2-CG2 4.21Å; I138-N166 HydrophobicContact CD1-CB 3.64Å; I138-N166 HydrophobicContact CG1-CB 4.02Å; I138-P167 PolarHBondContact N-O 3.14Å; I138-L168 HydrophobicContact CB-CD2 3.87Å; I138-L168 HydrophobicContact CG2-CD2 4.29Å; I138-H169 PolarHBondContact O-N 3.45Å; I138-I239 HydrophobicContact CG2-CD1 4.14Å; I138-I251 HydrophobicContact CD1-CG2 4.01Å; I138-I251 HydrophobicContact CG2-CG2 4.42Å; I138-A252 VanDerWaalsContact CD1-CA 3.49Å; I138-A252 HydrophobicContact CD1-CB 3.71Å; I138-W255 HydrophobicContact CB-CD2 4.45Å; I138-W255 HydrophobicContact CD1-CB 4.22Å; I138-W255 HydrophobicContact CD1-CG 4.45Å; I138-W255 HydrophobicContact CG1-CB 4.32Å; I138-W255 HydrophobicContact CG1-CD2 4.27Å; I138-W255 HydrophobicContact CG1-CG 4.04Å; I138-W255 HydrophobicContact CG2-CB 4.34Å; I138-W255 HydrophobicContact CG2-CD2 3.99Å; I138-W255 HydrophobicContact CG2-CE3 3.75Å; I138-W255 HydrophobicContact CG2-CG 4.29Å; I138-W255 HydrophobicContact CG2-CZ3 4.22Å
139	H	98.8	Very high	91.1	Very high	37 Å²	37	48.1 Å²	48.1	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127	-179.6	-66.1	-94.3	0	0	0	111.2	T137 H169 H171 L235 V238 I239 W255	T137-H139 PolarHBondContact O-CD2 3.17Å; H139-H169 WeakPolarHBondContact CA-O 3.21Å; H139-H169 AromaticContact CE1-CG 4Å; H139-H169 AromaticContact CE1-ND1 3.37Å; H139-H169 PolarHBondContact CE1-ND1 3.22Å; H139-H169 AromaticContact ND1-CG 3.78Å; H139-H169 AromaticContact ND1-ND1 3.49Å; H139-H169 PolarHBondContact ND1-ND1 2.8Å; H139-H171 AromaticContact CG-NE2 3.76Å; H139-H171 AromaticContact ND1-CE1 3.79Å; H139-H171 AromaticContact ND1-NE2 2.96Å; H139-H171 PolarHBondContact ND1-NE2 3.23Å; H139-L235 HydrophobicContact CB-CD1 3.95Å; H139-L235 HydrophobicContact CB-CD2 4.42Å; H139-L235 VanDerWaalsContact CG-CD1 3.4Å; H139-L235 WeakPolarHBondContact ND1-CD1 3.12Å; H139-V238 HydrophobicContact CB-CG2 4.13Å; H139-V238 WeakPolarHBondContact O-CG2 3.47Å; H139-I239 PolarHBondContact O-N 2.95Å; H139-W255 HydrophobicContact CB-CH2 3.97Å; H139-W255 HydrophobicContact CB-CZ3 4.34Å; H139-W255 WeakPolarHBondContact O-CZ3 3.34Å
140	V	98.9	Very high	93.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.1	-177.1	-175.5	0	0	0	0	109.8	I138 I142 H169 F170 H171 I239 L241 I251	I138-V140 HydrophobicContact CG2-CG2 4.21Å; V140-I142 HydrophobicContact CG1-CD1 4.28Å; V140-I142 HydrophobicContact CG1-CG1 4.12Å; V140-H169 PolarHBondContact N-O 3.18Å; V140-F170 HydrophobicContact CB-CD1 3.89Å; V140-F170 HydrophobicContact CB-CE1 4.12Å; V140-F170 HydrophobicContact CG1-CD1 4.08Å; V140-F170 HydrophobicContact CG1-CE1 4.15Å; V140-F170 HydrophobicContact CG2-CE1 4.46Å; V140-F170 CarbonylContact O-C 3.46Å; V140-F170 WeakPolarHBondContact O-CA 3.44Å; V140-H171 PolarHBondContact O-N 3.08Å; V140-I239 CarbonylContact C-O 3.39Å; V140-I239 VanDerWaalsContact CA-O 3.27Å; V140-I239 WeakPolarHBondContact CA-O 3.31Å; V140-L241 HydrophobicContact CG1-CD1 3.59Å; V140-L241 HydrophobicContact CG1-CG 4.1Å; V140-I251 HydrophobicContact CG2-CD1 3.73Å
141	A	98.8	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135	175.6	0	0	0	0	0	111.5	H171 L227 L231 V238 I239 V240 L241	A141-H171 VanDerWaalsContact CA-O 3.31Å; A141-H171 WeakPolarHBondContact CA-O 3.34Å; A141-H171 HydrophobicContact CB-CB 4.3Å; A141-L227 HydrophobicContact CB-CD2 4.39Å; A141-L231 HydrophobicContact CB-CD1 4.15Å; A141-V238 HydrophobicContact CB-CG2 3.7Å; A141-I239 PolarHBondContact N-O 2.96Å; A141-V240 HydrophobicContact CB-CG2 4.37Å; A141-V240 WeakPolarHBondContact O-CA 3.24Å; A141-L241 PolarHBondContact O-N 3.03Å
142	I	98.6	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.3	-179.2	-53.1	172.2	0	0	0	108.4	V140 C144 V153 L156 F170 H171 L172 I173 L241 T243	V140-I142 HydrophobicContact CG1-CD1 4.28Å; V140-I142 HydrophobicContact CG1-CG1 4.12Å; I142-C144 HydrophobicContact CG2-CB 4.36Å; I142-V153 HydrophobicContact CD1-CG2 4.07Å; I142-V153 HydrophobicContact CG2-CG2 4.05Å; I142-L156 HydrophobicContact CD1-CD2 3.87Å; I142-F170 HydrophobicContact CD1-CD1 4.04Å; I142-F170 HydrophobicContact CD1-CE1 4.39Å; I142-H171 PolarHBondContact N-O 3.05Å; I142-L172 HydrophobicContact CB-CD2 3.8Å; I142-L172 HydrophobicContact CD1-CD2 4.13Å; I142-L172 HydrophobicContact CG1-CD2 4.3Å; I142-L172 WeakPolarHBondContact O-CA 3.45Å; I142-I173 PolarHBondContact O-N 3.22Å; I142-L241 HydrophobicContact CG1-CB 4.47Å; I142-T243 HydrophobicContact CG2-CG2 3.76Å
143	V	98	Very high	95.8	Very high	22 Å²	22	35.6 Å²	35.6	13%	0.133	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.8	167.5	-178.2	0	0	0	0	107.8	I173 M223 K224	V143-I173 HydrophobicContact CG2-CB 4.24Å; V143-M223 HydrophobicContact CG1-CB 3.89Å; V143-M223 HydrophobicContact CG1-CG 4.4Å; V143-M223 HydrophobicContact CG2-CB 3.93Å; V143-K224 HydrophobicContact CG2-CG 3.94Å
144	C	96.8	Very high	96	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	16%	0.157	C	C	.	.			trans	-139.9	109.1	-174.8	-171.1	0	0	0	0	109.9	I142 A149 S150 I173 A174 A178 L182 T243	I142-C144 HydrophobicContact CG2-CB 4.36Å; C144-A149 PolarHBondContact SG-O 3.16Å; C144-A149 VanDerWaalsContact SG-O 3.34Å; C144-S150 PolarHBondContact SG-N 3.19Å; C144-I173 PolarHBondContact N-O 3.06Å; C144-A174 WeakPolarHBondContact O-CA 3.37Å; C144-A174 WeakPolarHBondContact O-CB 3.13Å; C144-A178 WeakPolarHBondContact O-CB 3.48Å; C144-L182 HydrophobicContact CB-CD1 4.21Å; C144-T243 HydrophobicContact CB-CG2 4.28Å
145	A	94.4	Very high	96.5	Very high	19 Å²	19	23 Å²	23	16%	0.157	13%	0.132	C	C	.	.			trans	-132.2	139.1	-175.6	0	0	0	0	0	112.2	A149 D175 Y220	A145-A149 VanDerWaalsContact O-CB 3.26Å; A145-A149 WeakPolarHBondContact O-CB 3.31Å; A145-D175 HydrophobicContact CB-CB 4.47Å; A145-Y220 HydrophobicContact CB-CD1 3.45Å; A145-Y220 VanDerWaalsContact CB-CD1 3.45Å; A145-Y220 HydrophobicContact CB-CD2 3.61Å; A145-Y220 HydrophobicContact CB-CE1 3.46Å; A145-Y220 VanDerWaalsContact CB-CE1 3.46Å; A145-Y220 HydrophobicContact CB-CE2 3.6Å; A145-Y220 HydrophobicContact CB-CG 3.52Å
146	G	95.4	Very high	96.8	Very high	16 Å²	16	20.4 Å²	20.4	17%	0.165	12%	0.115	C	C	.	.	H	α-helix	trans	73.6	177.6	-178.4	0	0	0	0	0	115.2	N148 S150 D175	G146-N148 PolarHBondContact O-N 2.89Å; G146-S150 WeakPolarHBondContact O-CB 3.43Å; G146-S150 PolarHBondContact O-N 2.96Å; G146-S150 PolarHBondContact O-OG 2.77Å; G146-D175 PolarHBondContact N-OD1 2.92Å; G146-D175 PolarHBondContact N-OD2 3.06Å
147	Y	96.1	Very high	97	Very high	36 Å²	36	18.4 Å²	18.4	14%	0.141	11%	0.105	C	C	.	.	H	α-helix	trans	-62.6	-45.2	-172.1	-58.1	-76.7	0	0	0	114.1	S150 R151 I177 I181 Y459 H462 Y463	Y147-S150 PolarHBondContact O-N 3.09Å; Y147-R151 PolarHBondContact O-N 3.46Å; Y147-I177 HydrophobicContact CD1-CG1 4.08Å; Y147-I177 HydrophobicContact CE1-CD1 3.82Å; Y147-I177 HydrophobicContact CE1-CG1 3.37Å; Y147-I177 HydrophobicContact CE2-CG1 4.41Å; Y147-I181 HydrophobicContact CD1-CD1 3.86Å; Y147-I181 HydrophobicContact CE1-CD1 4.3Å; Y147-Y459 WeakPolarHBondContact CD1-O 3.42Å; Y147-Y459 VanDerWaalsContact CE1-CB 3.48Å; Y147-Y459 HydrophobicContact CE1-CG 4.17Å; Y147-H462 HydrophobicContact CD2-CB 4.19Å; Y147-H462 AromaticContact CD2-ND1 3.28Å; Y147-H462 VanDerWaalsContact CD2-ND1 3.28Å; Y147-H462 WeakPolarHBondContact CD2-ND1 3.36Å; Y147-H462 AromaticContact CE2-CE1 3.87Å; Y147-H462 AromaticContact CE2-ND1 3.13Å; Y147-H462 WeakPolarHBondContact CE2-ND1 3.23Å; Y147-Y463 PolarHBondContact OH-O 3.48Å
148	N	94.3	Very high	97.1	Very high	97 Å²	97	16 Å²	16	52%	0.519	9%	0.09	S	C	.	.	H	α-helix	trans	-69.3	-45.7	-175.3	-72.2	-31.4	0	0	0	111.9	G146 S150 R151 D152	G146-N148 PolarHBondContact O-N 2.89Å; N148-S150 VanDerWaalsContact C-N 3.29Å; N148-S150 PolarHBondContact O-N 3.21Å; N148-R151 PolarHBondContact O-N 3.1Å; N148-R151 VanDerWaalsContact O-N 3.15Å; N148-R151 PolarHBondContact OD1-NH1 3.38Å; N148-R151 PolarHBondContact OD1-NH2 3.29Å; N148-D152 PolarHBondContact O-N 2.98Å
149	A	95.2	Very high	97.1	Very high	19 Å²	19	16 Å²	16	16%	0.157	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-38.4	178.2	0	0	0	0	0	111.3	C144 A145 R151 D152 V153	C144-A149 PolarHBondContact SG-O 3.16Å; C144-A149 VanDerWaalsContact SG-O 3.34Å; A145-A149 VanDerWaalsContact O-CB 3.26Å; A145-A149 WeakPolarHBondContact O-CB 3.31Å; A149-R151 PolarHBondContact O-N 3.05Å; A149-D152 PolarHBondContact O-N 2.98Å; A149-V153 WeakPolarHBondContact O-CB 3.33Å; A149-V153 WeakPolarHBondContact O-CG1 3.43Å; A149-V153 PolarHBondContact O-N 2.83Å
150	S	97.4	Very high	97.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-31.9	176.3	-58.1	0	0	0	0	112.7	C144 G146 Y147 N148 V153 V154 A178	C144-S150 PolarHBondContact SG-N 3.19Å; G146-S150 WeakPolarHBondContact O-CB 3.43Å; G146-S150 PolarHBondContact O-N 2.96Å; G146-S150 PolarHBondContact O-OG 2.77Å; Y147-S150 PolarHBondContact O-N 3.09Å; N148-S150 VanDerWaalsContact C-N 3.29Å; N148-S150 PolarHBondContact O-N 3.21Å; S150-V153 WeakPolarHBondContact O-CG1 3.37Å; S150-V154 WeakPolarHBondContact O-CG2 3.36Å; S150-A178 WeakPolarHBondContact OG-CA 3.02Å; S150-A178 VanDerWaalsContact OG-CB 3.27Å; S150-A178 WeakPolarHBondContact OG-CB 3.44Å
151	R	96	Very high	97	Very high	22 Å²	22	14.2 Å²	14.2	8%	0.083	8%	0.082	C	C	.	.	H	α-helix	trans	-77.8	-44.4	173.4	-174.2	179.9	61.7	-117.9	-9.6	112	Y147 N148 A149 V154 F460	Y147-R151 PolarHBondContact O-N 3.46Å; N148-R151 PolarHBondContact O-N 3.1Å; N148-R151 VanDerWaalsContact O-N 3.15Å; N148-R151 PolarHBondContact OD1-NH1 3.38Å; N148-R151 PolarHBondContact OD1-NH2 3.29Å; A149-R151 PolarHBondContact O-N 3.05Å; R151-V154 WeakPolarHBondContact O-CB 3.35Å; R151-V154 PolarHBondContact O-N 3.21Å; R151-F460 VanDerWaalsContact CD-CZ 3.48Å; R151-F460 HydrophobicContact CG-CD2 4.35Å; R151-F460 HydrophobicContact CG-CE2 3.72Å; R151-F460 HydrophobicContact CG-CZ 4Å; R151-F460 PolarHBondContact NH1-O 2.9Å; R151-F460 VanDerWaalsContact NH1-O 3.09Å
152	D	93.4	Very high	96.9	Very high	46 Å²	46	18.6 Å²	18.6	25%	0.246	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-39.8	-175.1	-66.2	-12.7	0	0	0	111.5	N148 A149 V154 T155	N148-D152 PolarHBondContact O-N 2.98Å; A149-D152 PolarHBondContact O-N 2.98Å; D152-V154 PolarHBondContact O-N 3.06Å; D152-V154 VanDerWaalsContact O-N 3.13Å; D152-T155 PolarHBondContact O-N 3.43Å
153	V	97.4	Very high	96.8	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-25	179.9	75.1	0	0	0	0	112.8	I142 A149 S150 T155 L156 V157 L182 T243	I142-V153 HydrophobicContact CD1-CG2 4.07Å; I142-V153 HydrophobicContact CG2-CG2 4.05Å; A149-V153 WeakPolarHBondContact O-CB 3.33Å; A149-V153 WeakPolarHBondContact O-CG1 3.43Å; A149-V153 PolarHBondContact O-N 2.83Å; S150-V153 WeakPolarHBondContact O-CG1 3.37Å; V153-T155 PolarHBondContact O-N 3.23Å; V153-L156 HydrophobicContact CG2-CD2 4.34Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.24Å; V153-V157 HydrophobicContact CG2-CG2 4.26Å; V153-V157 VanDerWaalsContact O-CG2 3.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.38Å; V153-V157 PolarHBondContact O-N 3.17Å; V153-L182 HydrophobicContact CG1-CD1 4.3Å; V153-L182 HydrophobicContact CG1-CD2 3.73Å; V153-T243 HydrophobicContact CB-CG2 4.06Å; V153-T243 HydrophobicContact CG2-CG2 4.15Å
154	V	97.9	Very high	96.6	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-37.5	177	-176.2	0	0	0	0	111.1	S150 R151 D152 V157 K158 L185 W189	S150-V154 WeakPolarHBondContact O-CG2 3.36Å; R151-V154 WeakPolarHBondContact O-CB 3.35Å; R151-V154 PolarHBondContact O-N 3.21Å; D152-V154 PolarHBondContact O-N 3.06Å; D152-V154 VanDerWaalsContact O-N 3.13Å; V154-V157 PolarHBondContact O-N 2.92Å; V154-K158 HydrophobicContact CG1-CD 4.37Å; V154-K158 HydrophobicContact CG1-CG 4.45Å; V154-K158 WeakPolarHBondContact O-CB 3.15Å; V154-K158 VanDerWaalsContact O-CG 3.29Å; V154-K158 WeakPolarHBondContact O-CG 3.33Å; V154-K158 PolarHBondContact O-N 3.47Å; V154-L185 HydrophobicContact CG2-CD2 3.56Å; V154-W189 HydrophobicContact CG1-CH2 4.35Å; V154-W189 HydrophobicContact CG1-CZ3 4.43Å
155	T	97.8	Very high	96.4	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-43	179	-52.8	0	0	0	0	111.1	D152 V153 K158 S159 Y401 F404 L405	D152-T155 PolarHBondContact O-N 3.43Å; V153-T155 PolarHBondContact O-N 3.23Å; T155-K158 PolarHBondContact O-N 3.23Å; T155-S159 PolarHBondContact O-N 3.38Å; T155-Y401 HydrophobicContact CG2-CD2 3.88Å; T155-Y401 HydrophobicContact CG2-CE2 3.62Å; T155-F404 HydrophobicContact CG2-CB 3.93Å; T155-L405 HydrophobicContact CG2-CB 4.33Å; T155-L405 VanDerWaalsContact OG1-CD1 3.25Å; T155-L405 WeakPolarHBondContact OG1-CD1 3.29Å
156	L	98.3	Very high	96.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-55.7	-55.2	171.9	165.9	60.5	0	0	0	110.4	I142 V153 K158 S159 V160 L241 D242 I245 F247	I142-L156 HydrophobicContact CD1-CD2 3.87Å; V153-L156 HydrophobicContact CG2-CD2 4.34Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.24Å; L156-K158 PolarHBondContact O-N 2.98Å; L156-S159 PolarHBondContact O-N 3.49Å; L156-S159 VanDerWaalsContact O-N 3.11Å; L156-S159 PolarHBondContact O-OG 3.02Å; L156-V160 HydrophobicContact CD1-CG2 3.97Å; L156-V160 PolarHBondContact O-N 3.06Å; L156-L241 HydrophobicContact CD1-CD1 4.26Å; L156-L241 HydrophobicContact CD2-CB 4.19Å; L156-D242 WeakPolarHBondContact CD2-O 3.38Å; L156-I245 HydrophobicContact CD1-CB 3.8Å; L156-I245 HydrophobicContact CD1-CG2 3.83Å; L156-I245 WeakPolarHBondContact CD1-O 3.45Å; L156-F247 HydrophobicContact CD1-CD2 4.03Å; L156-F247 HydrophobicContact CD1-CE2 4.17Å
157	V	98.4	Very high	96.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-56.9	-50.2	-177.6	171.3	0	0	0	0	109.8	V153 V154 S159 V160 L161 F170 F186 W189	V153-V157 HydrophobicContact CG2-CG2 4.26Å; V153-V157 VanDerWaalsContact O-CG2 3.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.38Å; V153-V157 PolarHBondContact O-N 3.17Å; V154-V157 PolarHBondContact O-N 2.92Å; V157-S159 VanDerWaalsContact C-N 3.31Å; V157-S159 PolarHBondContact O-N 3.39Å; V157-V160 PolarHBondContact O-N 3.09Å; V157-V160 VanDerWaalsContact O-N 3.11Å; V157-L161 HydrophobicContact CG1-CD1 3.74Å; V157-L161 HydrophobicContact CG1-CD2 4.43Å; V157-L161 HydrophobicContact CG1-CG 3.82Å; V157-L161 WeakPolarHBondContact O-CB 3.31Å; V157-L161 VanDerWaalsContact O-CG 3.23Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.92Å; V157-F170 HydrophobicContact CG1-CZ 4.34Å; V157-F170 HydrophobicContact CG2-CE1 4.42Å; V157-F170 HydrophobicContact CG2-CZ 4.47Å; V157-F186 HydrophobicContact CG1-CE1 3.97Å; V157-F186 HydrophobicContact CG1-CZ 3.95Å; V157-F186 HydrophobicContact CG2-CZ 3.97Å; V157-W189 HydrophobicContact CG1-CH2 3.91Å; V157-W189 HydrophobicContact CG1-CZ3 3.78Å
158	K	98.6	Very high	96.6	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	12%	0.124	C	C	.	.	H	α-helix	trans	-53.8	-45.5	176.5	-74.6	176.6	-179.1	-178.9	0	112.9	V154 T155 L156 V160 L161 F162 W189 F404 L405 Y407 L412 D507	V154-K158 HydrophobicContact CG1-CD 4.37Å; V154-K158 HydrophobicContact CG1-CG 4.45Å; V154-K158 WeakPolarHBondContact O-CB 3.15Å; V154-K158 VanDerWaalsContact O-CG 3.29Å; V154-K158 WeakPolarHBondContact O-CG 3.33Å; V154-K158 PolarHBondContact O-N 3.47Å; T155-K158 PolarHBondContact O-N 3.23Å; L156-K158 PolarHBondContact O-N 2.98Å; K158-V160 VanDerWaalsContact C-N 3.34Å; K158-V160 PolarHBondContact O-N 3.4Å; K158-L161 PolarHBondContact O-N 3.01Å; K158-F162 VanDerWaalsContact O-CB 3.26Å; K158-F162 WeakPolarHBondContact O-CB 3.36Å; K158-F162 PolarHBondContact O-N 3.27Å; K158-W189 HydrophobicContact CG-CH2 3.74Å; K158-W189 HydrophobicContact CG-CZ2 3.98Å; K158-F404 WeakPolarHBondContact CD-O 3.47Å; K158-F404 PolarHBondContact NZ-O 3.22Å; K158-L405 PolarHBondContact NZ-O 3.1Å; K158-Y407 WeakPolarHBondContact CE-O 3.25Å; K158-Y407 PolarHBondContact NZ-O 2.85Å; K158-L412 HydrophobicContact CB-CD1 4.24Å; K158-L412 HydrophobicContact CG-CD1 4.02Å; K158-D507 WeakPolarHBondContact CE-OD1 3.37Å; K158-D507 IonicContact NZ-OD1 3.97Å; K158-D507 PolarHBondContact NZ-OD1 2.89Å
159	S	98.3	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-39.2	179.3	73.2	0	0	0	0	112.4	T155 L156 V157 H163 F247	T155-S159 PolarHBondContact O-N 3.38Å; L156-S159 PolarHBondContact O-N 3.49Å; L156-S159 VanDerWaalsContact O-N 3.11Å; L156-S159 PolarHBondContact O-OG 3.02Å; V157-S159 VanDerWaalsContact C-N 3.31Å; V157-S159 PolarHBondContact O-N 3.39Å; S159-H163 PolarHBondContact O-CD2 2.82Å; S159-H163 VanDerWaalsContact O-CD2 3.24Å; S159-F247 PolarHBondContact OG-N 2.88Å
160	V	98.4	Very high	96.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-66.9	-48.5	174.3	175.2	0	0	0	0	110.6	L156 V157 K158 F162 H163 R164 L168 F247 I251	L156-V160 HydrophobicContact CD1-CG2 3.97Å; L156-V160 PolarHBondContact O-N 3.06Å; V157-V160 PolarHBondContact O-N 3.09Å; V157-V160 VanDerWaalsContact O-N 3.11Å; K158-V160 VanDerWaalsContact C-N 3.34Å; K158-V160 PolarHBondContact O-N 3.4Å; V160-F162 VanDerWaalsContact C-N 3.28Å; V160-F162 PolarHBondContact O-N 3Å; V160-H163 PolarHBondContact O-N 3.31Å; V160-R164 PolarHBondContact O-N 2.05Å; V160-L168 HydrophobicContact CG1-CD1 3.71Å; V160-F247 HydrophobicContact CG2-CB 4.34Å; V160-F247 HydrophobicContact CG2-CD2 3.47Å; V160-F247 VanDerWaalsContact CG2-CD2 3.47Å; V160-F247 HydrophobicContact CG2-CE2 3.87Å; V160-F247 HydrophobicContact CG2-CG 3.87Å; V160-I251 HydrophobicContact CG1-CB 4.3Å; V160-I251 HydrophobicContact CG1-CD1 4.08Å; V160-I251 HydrophobicContact CG1-CG2 3.99Å; V160-I251 HydrophobicContact CG2-CD1 4.49Å
161	L	97.6	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-34.5	-178.1	-64.3	-168.6	0	0	0	112.6	V157 K158 H163 R164 L168 F170 W189 V191 V194 L412	V157-L161 HydrophobicContact CG1-CD1 3.74Å; V157-L161 HydrophobicContact CG1-CD2 4.43Å; V157-L161 HydrophobicContact CG1-CG 3.82Å; V157-L161 WeakPolarHBondContact O-CB 3.31Å; V157-L161 VanDerWaalsContact O-CG 3.23Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.92Å; K158-L161 PolarHBondContact O-N 3.01Å; L161-H163 VanDerWaalsContact C-N 3.3Å; L161-H163 PolarHBondContact O-N 3.02Å; L161-R164 WeakPolarHBondContact O-CG 3.16Å; L161-L168 HydrophobicContact CD2-CD1 3.51Å; L161-F170 HydrophobicContact CD2-CE2 4.22Å; L161-F170 HydrophobicContact CD2-CZ 4.29Å; L161-W189 HydrophobicContact CD1-CH2 4.12Å; L161-W189 HydrophobicContact CD1-CZ2 4.11Å; L161-V191 HydrophobicContact CD1-CG1 4.11Å; L161-V191 HydrophobicContact CD1-CG2 4.06Å; L161-V194 HydrophobicContact CD2-CG2 4.07Å; L161-L412 HydrophobicContact CB-CD1 3.99Å; L161-L412 HydrophobicContact CB-CD2 4.1Å; L161-L412 HydrophobicContact CB-CG 4.48Å; L161-L412 HydrophobicContact CD1-CB 4.48Å; L161-L412 HydrophobicContact CD1-CD1 4.21Å
162	F	96.8	Very high	97.1	Very high	92 Å²	92	21 Å²	21	40%	0.404	9%	0.092	S	C	.	.	H	α-helix	trans	-64.5	-35.4	179.1	-178.5	-92.1	0	0	0	112.5	K158 V160 F404 Y407 L412	K158-F162 VanDerWaalsContact O-CB 3.26Å; K158-F162 WeakPolarHBondContact O-CB 3.36Å; K158-F162 PolarHBondContact O-N 3.27Å; V160-F162 VanDerWaalsContact C-N 3.28Å; V160-F162 PolarHBondContact O-N 3Å; F162-F404 HydrophobicContact CB-CD1 4.44Å; F162-F404 HydrophobicContact CB-CE1 3.63Å; F162-F404 HydrophobicContact CB-CZ 4.39Å; F162-F404 AromaticContact CD1-CE1 3.83Å; F162-F404 HydrophobicContact CD1-CE1 3.83Å; F162-F404 HydrophobicContact CD1-CZ 4.01Å; F162-F404 HydrophobicContact CD2-CE1 4.17Å; F162-F404 AromaticContact CG-CE1 3.62Å; F162-F404 HydrophobicContact CG-CE1 3.62Å; F162-F404 HydrophobicContact CG-CZ 4.26Å; F162-Y407 HydrophobicContact CD2-CE1 4.36Å; F162-Y407 AromaticContact CD2-CE2 4Å; F162-Y407 HydrophobicContact CD2-CE2 4Å; F162-Y407 AromaticContact CD2-CZ 3.81Å; F162-Y407 AromaticContact CE2-CE2 3.82Å; F162-Y407 HydrophobicContact CE2-CE2 3.82Å; F162-Y407 AromaticContact CE2-CZ 3.93Å; F162-L412 HydrophobicContact CB-CD2 4.43Å
163	H	95.4	Very high	97.3	Very high	48 Å²	48	18.8 Å²	18.8	22%	0.222	8%	0.081	C	C	.	.	H	α-helix	trans	-98.8	-11.2	-176.7	-68.6	-67.9	0	0	0	114.6	S159 V160 L161 T249 D250 F404	S159-H163 PolarHBondContact O-CD2 2.82Å; S159-H163 VanDerWaalsContact O-CD2 3.24Å; V160-H163 PolarHBondContact O-N 3.31Å; L161-H163 VanDerWaalsContact C-N 3.3Å; L161-H163 PolarHBondContact O-N 3.02Å; H163-T249 VanDerWaalsContact CB-C 3.43Å; H163-T249 WeakPolarHBondContact CB-O 3.37Å; H163-D250 WeakPolarHBondContact O-CB 3.48Å; H163-F404 AromaticContact NE2-CZ 3.75Å
164	R	94.5	Very high	97.4	Very high	9 Å²	9	18.6 Å²	18.6	3%	0.034	8%	0.08	C	C	.	.			trans	-61.6	148.5	-172	78.7	-175.8	171.7	-173.4	-2.7	113.1	V160 L161 L168 P192 F417	V160-R164 PolarHBondContact O-N 2.05Å; L161-R164 WeakPolarHBondContact O-CG 3.16Å; R164-L168 HydrophobicContact CB-CD1 4.26Å; R164-P192 PolarHBondContact NH1-O 3.12Å; R164-F417 HydrophobicContact CG-CE1 4.07Å; R164-F417 HydrophobicContact CG-CZ 4.45Å
165	R	93.6	Very high	97.3	Very high	181 Å²	181	19 Å²	19	68%	0.683	8%	0.082	S	C	*	.			trans	-126.6	4	166.8	-61.9	177.4	179.4	-178.4	-0.6	114.2	D250 F417	R165-D250 VanDerWaalsContact CB-OD2 3.25Å; R165-D250 WeakPolarHBondContact CB-OD2 3.46Å; R165-D250 VanDerWaalsContact CD-OD2 3.27Å; R165-D250 WeakPolarHBondContact CD-OD2 3.39Å; R165-D250 WeakPolarHBondContact CG-OD2 3.48Å; R165-D250 PolarHBondContact N-OD2 3.06Å; R165-F417 VanDerWaalsContact C-CE1 3.48Å
166	N	95.3	Very high	97.2	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.037	11%	0.106	C	C	.	.	S	Bend	trans	-129.6	153.1	-174.1	-74.5	80.4	0	0	0	110.6	E133 K134 E136 I138 A252 F417	E133-N166 PolarHBondContact O-ND2 3.49Å; K134-N166 PolarHBondContact O-ND2 3.23Å; E136-N166 PolarHBondContact O-ND2 2.78Å; I138-N166 HydrophobicContact CD1-CB 3.64Å; I138-N166 HydrophobicContact CG1-CB 4.02Å; N166-A252 WeakPolarHBondContact OD1-CB 3.43Å; N166-F417 VanDerWaalsContact O-CZ 3.3Å; N166-F417 WeakPolarHBondContact O-CZ 3.03Å
167	P	96.1	Very high	97.1	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.091	11%	0.113	C	C	.	.			trans	-54.6	143.2	166.6	-22.8	32.9	0	0	0	111.5	T137 I138 A193 F417 C419	T137-P167 WeakPolarHBondContact CA-O 3.45Å; I138-P167 PolarHBondContact N-O 3.14Å; P167-A193 WeakPolarHBondContact CA-O 3.44Å; P167-A193 HydrophobicContact CB-CB 4.17Å; P167-A193 HydrophobicContact CG-CB 4.4Å; P167-F417 HydrophobicContact CG-CE2 4.11Å; P167-C419 HydrophobicContact CG-CB 4.21Å
168	L	97.3	Very high	97.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.8	-179.5	-61.6	177.1	0	0	0	110.9	I138 V160 L161 R164 F170 A193 V194 R195 I251	I138-L168 HydrophobicContact CB-CD2 3.87Å; I138-L168 HydrophobicContact CG2-CD2 4.29Å; V160-L168 HydrophobicContact CG1-CD1 3.71Å; L161-L168 HydrophobicContact CD2-CD1 3.51Å; R164-L168 HydrophobicContact CB-CD1 4.26Å; L168-F170 HydrophobicContact CB-CE2 4.03Å; L168-F170 HydrophobicContact CB-CZ 4.38Å; L168-F170 HydrophobicContact CD1-CE2 4.09Å; L168-F170 HydrophobicContact CD1-CZ 3.86Å; L168-A193 PolarHBondContact N-O 3.13Å; L168-V194 WeakPolarHBondContact O-CA 3.38Å; L168-R195 PolarHBondContact O-N 3.33Å; L168-I251 HydrophobicContact CD2-CG2 3.95Å
169	H	98.2	Very high	97.1	Very high	17 Å²	17	27 Å²	27	8%	0.079	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.3	169.3	-170.3	174.9	0	0	0	109.5	T137 I138 H139 V140 H171 R195 D197	T137-H169 HydrophobicContact CG2-CB 3.67Å; I138-H169 PolarHBondContact O-N 3.45Å; H139-H169 WeakPolarHBondContact CA-O 3.21Å; H139-H169 AromaticContact CE1-CG 4Å; H139-H169 AromaticContact CE1-ND1 3.37Å; H139-H169 PolarHBondContact CE1-ND1 3.22Å; H139-H169 AromaticContact ND1-CG 3.78Å; H139-H169 AromaticContact ND1-ND1 3.49Å; H139-H169 PolarHBondContact ND1-ND1 2.8Å; V140-H169 PolarHBondContact N-O 3.18Å; H169-H171 AromaticContact CD2-CE1 3.79Å; H169-H171 AromaticContact CE1-CE1 3.36Å; H169-H171 PolarHBondContact CE1-CE1 3.41Å; H169-H171 AromaticContact CG-CE1 3.84Å; H169-H171 AromaticContact CG-NE2 3.89Å; H169-H171 AromaticContact ND1-CE1 3.59Å; H169-H171 AromaticContact ND1-NE2 3.86Å; H169-H171 AromaticContact NE2-CE1 3.48Å; H169-H171 PolarHBondContact NE2-CE1 3.06Å; H169-H171 AromaticContact NE2-ND1 3.82Å; H169-R195 CarbonylContact C-O 3.19Å; H169-R195 WeakPolarHBondContact CA-O 3.26Å; H169-R195 HydrophobicContact CB-CB 4.43Å; H169-D197 IonicContact CE1-OD2 3.51Å; H169-D197 PolarHBondContact CE1-OD2 2.97Å; H169-D197 IonicContact NE2-OD1 2.67Å; H169-D197 IonicContact NE2-OD2 3.75Å; H169-D197 PolarHBondContact NE2-OD2 2.77Å
170	F	98.7	Very high	97	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.9	174.6	-64.1	-78.1	0	0	0	110.8	V140 I142 V157 L161 L168 L172 F186 V194 R195 V196 D197	V140-F170 HydrophobicContact CB-CD1 3.89Å; V140-F170 HydrophobicContact CB-CE1 4.12Å; V140-F170 HydrophobicContact CG1-CD1 4.08Å; V140-F170 HydrophobicContact CG1-CE1 4.15Å; V140-F170 HydrophobicContact CG2-CE1 4.46Å; V140-F170 CarbonylContact O-C 3.46Å; V140-F170 WeakPolarHBondContact O-CA 3.44Å; I142-F170 HydrophobicContact CD1-CD1 4.04Å; I142-F170 HydrophobicContact CD1-CE1 4.39Å; V157-F170 HydrophobicContact CG1-CZ 4.34Å; V157-F170 HydrophobicContact CG2-CE1 4.42Å; V157-F170 HydrophobicContact CG2-CZ 4.47Å; L161-F170 HydrophobicContact CD2-CE2 4.22Å; L161-F170 HydrophobicContact CD2-CZ 4.29Å; L168-F170 HydrophobicContact CB-CE2 4.03Å; L168-F170 HydrophobicContact CB-CZ 4.38Å; L168-F170 HydrophobicContact CD1-CE2 4.09Å; L168-F170 HydrophobicContact CD1-CZ 3.86Å; F170-L172 HydrophobicContact CB-CD2 4.32Å; F170-L172 HydrophobicContact CB-CG 4.41Å; F170-F186 HydrophobicContact CD2-CE1 4.34Å; F170-F186 HydrophobicContact CD2-CZ 4.44Å; F170-F186 HydrophobicContact CE2-CE1 4.48Å; F170-V194 HydrophobicContact CD2-CG1 3.74Å; F170-V194 HydrophobicContact CE2-CG1 3.82Å; F170-R195 PolarHBondContact N-O 2.87Å; F170-V196 HydrophobicContact CB-CG1 4.37Å; F170-V196 HydrophobicContact CB-CG2 4.27Å; F170-V196 HydrophobicContact CD2-CG2 4.36Å; F170-V196 WeakPolarHBondContact O-CA 3.44Å; F170-D197 PolarHBondContact O-N 2.96Å
171	H	98.8	Very high	97	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106.2	171.6	-58.3	-74.8	0	0	0	108.5	H139 V140 A141 I142 H169 Y199 L231	H139-H171 AromaticContact CG-NE2 3.76Å; H139-H171 AromaticContact ND1-CE1 3.79Å; H139-H171 AromaticContact ND1-NE2 2.96Å; H139-H171 PolarHBondContact ND1-NE2 3.23Å; V140-H171 PolarHBondContact O-N 3.08Å; A141-H171 VanDerWaalsContact CA-O 3.31Å; A141-H171 WeakPolarHBondContact CA-O 3.34Å; A141-H171 HydrophobicContact CB-CB 4.3Å; I142-H171 PolarHBondContact N-O 3.05Å; H169-H171 AromaticContact CD2-CE1 3.79Å; H169-H171 AromaticContact CE1-CE1 3.36Å; H169-H171 PolarHBondContact CE1-CE1 3.41Å; H169-H171 AromaticContact CG-CE1 3.84Å; H169-H171 AromaticContact CG-NE2 3.89Å; H169-H171 AromaticContact ND1-CE1 3.59Å; H169-H171 AromaticContact ND1-NE2 3.86Å; H169-H171 AromaticContact NE2-CE1 3.48Å; H169-H171 PolarHBondContact NE2-CE1 3.06Å; H169-H171 AromaticContact NE2-ND1 3.82Å; H171-Y199 HydrophobicContact CB-CD2 4.39Å; H171-Y199 HydrophobicContact CB-CE2 3.72Å; H171-Y199 AromaticContact ND1-CE2 3.79Å; H171-Y199 AromaticContact ND1-CZ 3.9Å; H171-Y199 PolarHBondContact ND1-OH 3.27Å; H171-L231 HydrophobicContact CB-CD2 3.52Å
172	L	98.6	Very high	97.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.1	-172.4	-59.5	-177.9	0	0	0	110.5	I142 F170 A174 L182 F186 V196 D197 F198 Y199	I142-L172 HydrophobicContact CB-CD2 3.8Å; I142-L172 HydrophobicContact CD1-CD2 4.13Å; I142-L172 HydrophobicContact CG1-CD2 4.3Å; I142-L172 WeakPolarHBondContact O-CA 3.45Å; F170-L172 HydrophobicContact CB-CD2 4.32Å; F170-L172 HydrophobicContact CB-CG 4.41Å; L172-A174 PolarHBondContact O-N 3.14Å; L172-L182 HydrophobicContact CD1-CB 4.31Å; L172-L182 HydrophobicContact CD1-CD1 3.97Å; L172-F186 HydrophobicContact CD1-CE2 4.06Å; L172-V196 HydrophobicContact CD1-CG1 3.5Å; L172-V196 VanDerWaalsContact CD1-CG1 3.5Å; L172-V196 HydrophobicContact CG-CG1 3.94Å; L172-D197 PolarHBondContact N-O 3.44Å; L172-F198 HydrophobicContact CB-CD1 3.83Å; L172-F198 HydrophobicContact CB-CE1 3.94Å; L172-F198 HydrophobicContact CD1-CD1 4.25Å; L172-F198 HydrophobicContact CD1-CE1 3.5Å; L172-F198 HydrophobicContact CD1-CZ 3.87Å; L172-F198 HydrophobicContact CG-CE1 4.32Å; L172-F198 CarbonylContact O-C 3.59Å; L172-F198 WeakPolarHBondContact O-CA 3.4Å; L172-Y199 PolarHBondContact O-N 3.27Å
173	I	98.3	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	105.7	171.1	-62	73.6	0	0	0	106	I142 V143 C144 Y199 A201 L204 M223 L227 T230	I142-I173 PolarHBondContact O-N 3.22Å; V143-I173 HydrophobicContact CG2-CB 4.24Å; C144-I173 PolarHBondContact N-O 3.06Å; I173-Y199 WeakPolarHBondContact CA-O 3.45Å; I173-A201 HydrophobicContact CG2-CB 3.97Å; I173-L204 HydrophobicContact CG2-CD1 4.04Å; I173-M223 HydrophobicContact CG2-CB 4.45Å; I173-L227 HydrophobicContact CD1-CD2 3.4Å; I173-L227 VanDerWaalsContact CD1-CD2 3.4Å; I173-L227 HydrophobicContact CG1-CD2 4Å; I173-T230 HydrophobicContact CG1-CG2 4.28Å
174	A	97.8	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145	-166.3	0	0	0	0	0	112	C144 L172 A178 E179 F198 Y199 A201	C144-A174 WeakPolarHBondContact O-CA 3.37Å; C144-A174 WeakPolarHBondContact O-CB 3.13Å; L172-A174 PolarHBondContact O-N 3.14Å; A174-A178 HydrophobicContact CB-CB 3.98Å; A174-E179 HydrophobicContact CB-CB 4.31Å; A174-F198 HydrophobicContact CB-CD1 4.19Å; A174-Y199 PolarHBondContact N-O 2.99Å; A174-A201 WeakPolarHBondContact O-CB 3.3Å; A174-A201 PolarHBondContact O-N 3.35Å
175	D	96.7	Very high	97.4	Very high	16 Å²	16	26.8 Å²	26.8	9%	0.086	14%	0.136	C	C	.	.			trans	-76	165.4	165.5	59.1	7.8	0	0	0	110.5	A145 G146 I177 A178 E179 Y220	A145-D175 HydrophobicContact CB-CB 4.47Å; G146-D175 PolarHBondContact N-OD1 2.92Å; G146-D175 PolarHBondContact N-OD2 3.06Å; D175-I177 PolarHBondContact O-N 3.36Å; D175-I177 VanDerWaalsContact O-N 3.08Å; D175-I177 WeakPolarHBondContact OD1-CG2 3.43Å; D175-A178 PolarHBondContact O-N 3.49Å; D175-A178 WeakPolarHBondContact OD1-CB 3.04Å; D175-A178 PolarHBondContact OD1-N 3.25Å; D175-A178 VanDerWaalsContact OD1-N 3.16Å; D175-E179 PolarHBondContact O-N 2.94Å; D175-Y220 HydrophobicContact CB-CE1 4.39Å; D175-Y220 PolarHBondContact OD2-OH 3.16Å
176	S	95.8	Very high	97.6	Very high	77 Å²	77	19.2 Å²	19.2	54%	0.538	11%	0.108	S	C	.	.	H	α-helix	trans	-49.5	-40.1	-174.4	50.9	0	0	0	0	114.1	Q180	S176-Q180 PolarHBondContact O-N 3.41Å
177	I	96.3	Very high	97.6	Very high	27 Å²	27	24.1 Å²	24.1	14%	0.138	13%	0.131	C	C	.	.	H	α-helix	trans	-73.6	-42	179.4	-170.1	57.8	0	0	0	112.8	Y147 D175 E179 Q180 I181 Y459	Y147-I177 HydrophobicContact CD1-CG1 4.08Å; Y147-I177 HydrophobicContact CE1-CD1 3.82Å; Y147-I177 HydrophobicContact CE1-CG1 3.37Å; Y147-I177 HydrophobicContact CE2-CG1 4.41Å; D175-I177 PolarHBondContact O-N 3.36Å; D175-I177 VanDerWaalsContact O-N 3.08Å; D175-I177 WeakPolarHBondContact OD1-CG2 3.43Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-Q180 PolarHBondContact O-N 2.9Å; I177-I181 HydrophobicContact CD1-CD1 4.37Å; I177-I181 HydrophobicContact CD1-CG1 4.46Å; I177-I181 HydrophobicContact CG1-CD1 4.03Å; I177-I181 VanDerWaalsContact O-CG1 3.23Å; I177-I181 WeakPolarHBondContact O-CG1 3.47Å; I177-I181 PolarHBondContact O-N 3.39Å; I177-Y459 HydrophobicContact CD1-CD2 3.76Å; I177-Y459 HydrophobicContact CD1-CE2 4.15Å; I177-Y459 HydrophobicContact CD1-CG 4.37Å
178	A	97.8	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-38	176.2	0	0	0	0	0	111.4	C144 S150 A174 D175 I181 L182	C144-A178 WeakPolarHBondContact O-CB 3.48Å; S150-A178 WeakPolarHBondContact OG-CA 3.02Å; S150-A178 VanDerWaalsContact OG-CB 3.27Å; S150-A178 WeakPolarHBondContact OG-CB 3.44Å; A174-A178 HydrophobicContact CB-CB 3.98Å; D175-A178 PolarHBondContact O-N 3.49Å; D175-A178 WeakPolarHBondContact OD1-CB 3.04Å; D175-A178 PolarHBondContact OD1-N 3.25Å; D175-A178 VanDerWaalsContact OD1-N 3.16Å; A178-I181 PolarHBondContact O-N 2.74Å; A178-L182 VanDerWaalsContact O-CB 3.25Å; A178-L182 WeakPolarHBondContact O-CB 3.5Å; A178-L182 VanDerWaalsContact O-CG 3.24Å; A178-L182 WeakPolarHBondContact O-CG 3.47Å; A178-L182 PolarHBondContact O-N 3.48Å
179	E	98	Very high	97.6	Very high	72 Å²	72	24.5 Å²	24.5	34%	0.336	13%	0.133	S	C	.	.	H	α-helix	trans	-58.8	-50.6	172.1	178.4	174	166.2	0	0	111	A174 D175 I177 I181 L182 A183 F198	A174-E179 HydrophobicContact CB-CB 4.31Å; D175-E179 PolarHBondContact O-N 2.94Å; I177-E179 VanDerWaalsContact C-N 3.32Å; E179-I181 VanDerWaalsContact C-N 3.32Å; E179-I181 PolarHBondContact O-N 2.94Å; E179-L182 PolarHBondContact O-N 2.78Å; E179-A183 WeakPolarHBondContact O-CB 3.37Å; E179-A183 PolarHBondContact O-N 2.97Å; E179-F198 HydrophobicContact CB-CD1 4.05Å; E179-F198 HydrophobicContact CB-CG 4.45Å; E179-F198 HydrophobicContact CG-CB 3.97Å; E179-F198 HydrophobicContact CG-CD1 3.83Å; E179-F198 HydrophobicContact CG-CD2 4.28Å; E179-F198 HydrophobicContact CG-CE1 4.41Å; E179-F198 HydrophobicContact CG-CG 3.76Å
180	Q	97.5	Very high	97.3	Very high	80 Å²	80	24.9 Å²	24.9	37%	0.374	14%	0.135	S	C	.	.	H	α-helix	trans	-57.6	-44.8	178.7	-174.5	-177.5	2.3	0	0	112.4	S176 I177 T184 L458	S176-Q180 PolarHBondContact O-N 3.41Å; I177-Q180 PolarHBondContact O-N 2.9Å; Q180-T184 WeakPolarHBondContact O-CB 3.33Å; Q180-T184 PolarHBondContact O-N 2.84Å; Q180-T184 PolarHBondContact O-OG1 2.94Å; Q180-L458 HydrophobicContact CG-CD1 4.28Å
181	I	98.6	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-52.9	179.8	-67.1	168.7	0	0	0	110.5	Y147 I177 A178 E179 T184 L185 H457 L458 Y459	Y147-I181 HydrophobicContact CD1-CD1 3.86Å; Y147-I181 HydrophobicContact CE1-CD1 4.3Å; I177-I181 HydrophobicContact CD1-CD1 4.37Å; I177-I181 HydrophobicContact CD1-CG1 4.46Å; I177-I181 HydrophobicContact CG1-CD1 4.03Å; I177-I181 VanDerWaalsContact O-CG1 3.23Å; I177-I181 WeakPolarHBondContact O-CG1 3.47Å; I177-I181 PolarHBondContact O-N 3.39Å; A178-I181 PolarHBondContact O-N 2.74Å; E179-I181 VanDerWaalsContact C-N 3.32Å; E179-I181 PolarHBondContact O-N 2.94Å; I181-T184 PolarHBondContact O-N 2.88Å; I181-L185 WeakPolarHBondContact O-CB 3.28Å; I181-L185 PolarHBondContact O-N 2.78Å; I181-H457 VanDerWaalsContact CG2-CE1 3.42Å; I181-H457 WeakPolarHBondContact CG2-CE1 3.34Å; I181-L458 HydrophobicContact CG1-CB 4.32Å; I181-L458 WeakPolarHBondContact CG1-O 3.44Å; I181-Y459 HydrophobicContact CG1-CD2 4.39Å
182	L	98.5	Very high	96.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-74.5	-35.6	-172.5	-65.7	173.5	0	0	0	111.8	C144 V153 L172 A178 E179 L185 F186 F198	C144-L182 HydrophobicContact CB-CD1 4.21Å; V153-L182 HydrophobicContact CG1-CD1 4.3Å; V153-L182 HydrophobicContact CG1-CD2 3.73Å; L172-L182 HydrophobicContact CD1-CB 4.31Å; L172-L182 HydrophobicContact CD1-CD1 3.97Å; A178-L182 VanDerWaalsContact O-CB 3.25Å; A178-L182 WeakPolarHBondContact O-CB 3.5Å; A178-L182 VanDerWaalsContact O-CG 3.24Å; A178-L182 WeakPolarHBondContact O-CG 3.47Å; A178-L182 PolarHBondContact O-N 3.48Å; E179-L182 PolarHBondContact O-N 2.78Å; L182-L185 HydrophobicContact CD2-CD2 4.31Å; L182-L185 PolarHBondContact O-N 2.89Å; L182-F186 HydrophobicContact CB-CD2 4.42Å; L182-F186 WeakPolarHBondContact O-CB 3.34Å; L182-F186 VanDerWaalsContact O-CD2 3.28Å; L182-F186 WeakPolarHBondContact O-CD2 3.31Å; L182-F186 PolarHBondContact O-N 2.77Å; L182-F198 HydrophobicContact CB-CE1 3.7Å; L182-F198 HydrophobicContact CB-CZ 3.81Å
183	A	98	Very high	96.3	Very high	33 Å²	33	28.5 Å²	28.5	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-60.7	-47.9	173.7	0	0	0	0	0	110.5	E179 L185 Q187 F198	E179-A183 WeakPolarHBondContact O-CB 3.37Å; E179-A183 PolarHBondContact O-N 2.97Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3.09Å; A183-Q187 WeakPolarHBondContact O-CB 3.46Å; A183-Q187 PolarHBondContact O-N 3.07Å; A183-F198 HydrophobicContact CB-CE2 3.77Å; A183-F198 HydrophobicContact CB-CZ 3.99Å
184	T	98.3	Very high	96.1	Very high	31 Å²	31	30 Å²	30	19%	0.19	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44	175.2	-56.3	0	0	0	0	111.2	Q180 I181 T188 T456 L458	Q180-T184 WeakPolarHBondContact O-CB 3.33Å; Q180-T184 PolarHBondContact O-N 2.84Å; Q180-T184 PolarHBondContact O-OG1 2.94Å; I181-T184 PolarHBondContact O-N 2.88Å; T184-T188 HydrophobicContact CG2-CG2 4.36Å; T184-T188 WeakPolarHBondContact O-CB 3.33Å; T184-T188 WeakPolarHBondContact O-CG2 3.45Å; T184-T188 PolarHBondContact O-N 2.79Å; T184-T188 PolarHBondContact O-OG1 3.43Å; T184-T456 HydrophobicContact CG2-CG2 4.3Å; T184-L458 HydrophobicContact CG2-CD1 3.84Å; T184-L458 HydrophobicContact CG2-CD2 4.39Å; T184-L458 HydrophobicContact CG2-CG 3.9Å; T184-L458 VanDerWaalsContact OG1-CD1 3.24Å; T184-L458 WeakPolarHBondContact OG1-CD1 3.45Å
185	L	98.4	Very high	96	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-55.6	179.3	-179.9	65	0	0	0	111.1	V154 I181 L182 A183 T188 W189 R455 T456 H457 Y535	V154-L185 HydrophobicContact CG2-CD2 3.56Å; I181-L185 WeakPolarHBondContact O-CB 3.28Å; I181-L185 PolarHBondContact O-N 2.78Å; L182-L185 HydrophobicContact CD2-CD2 4.31Å; L182-L185 PolarHBondContact O-N 2.89Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3.09Å; L185-T188 PolarHBondContact O-N 3.33Å; L185-T188 PolarHBondContact O-OG1 3.01Å; L185-W189 HydrophobicContact CG-CE3 4.23Å; L185-W189 WeakPolarHBondContact O-CA 3.45Å; L185-W189 WeakPolarHBondContact O-CB 3.39Å; L185-W189 PolarHBondContact O-N 3.14Å; L185-R455 HydrophobicContact CD1-CG 3.64Å; L185-T456 VanDerWaalsContact CA-O 3.27Å; L185-T456 WeakPolarHBondContact CA-O 3.4Å; L185-H457 HydrophobicContact CD1-CB 4.37Å; L185-Y535 HydrophobicContact CD1-CE2 4.28Å
186	F	97.3	Very high	96.1	Very high	22 Å²	22	37.3 Å²	37.3	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-40.5	-177.6	-81.5	-77.3	0	0	0	112.6	V157 F170 L172 L182 T188 W189 M190 V194 V196	V157-F186 HydrophobicContact CG1-CE1 3.97Å; V157-F186 HydrophobicContact CG1-CZ 3.95Å; V157-F186 HydrophobicContact CG2-CZ 3.97Å; F170-F186 HydrophobicContact CD2-CE1 4.34Å; F170-F186 HydrophobicContact CD2-CZ 4.44Å; F170-F186 HydrophobicContact CE2-CE1 4.48Å; L172-F186 HydrophobicContact CD1-CE2 4.06Å; L182-F186 HydrophobicContact CB-CD2 4.42Å; L182-F186 WeakPolarHBondContact O-CB 3.34Å; L182-F186 VanDerWaalsContact O-CD2 3.28Å; L182-F186 WeakPolarHBondContact O-CD2 3.31Å; L182-F186 PolarHBondContact O-N 2.77Å; F186-T188 PolarHBondContact O-N 2.87Å; F186-W189 HydrophobicContact CD1-CE3 4.34Å; F186-W189 HydrophobicContact CE1-CE3 4.36Å; F186-W189 HydrophobicContact CE1-CZ3 4.46Å; F186-W189 PolarHBondContact O-N 2.82Å; F186-M190 PolarHBondContact O-N 3.24Å; F186-V194 HydrophobicContact CD1-CG1 4.4Å; F186-V194 HydrophobicContact CE1-CG1 4.34Å; F186-V196 HydrophobicContact CB-CG2 4.04Å; F186-V196 HydrophobicContact CD1-CG2 3.64Å; F186-V196 HydrophobicContact CD2-CG1 4.31Å; F186-V196 HydrophobicContact CD2-CG2 3.95Å; F186-V196 HydrophobicContact CE1-CG2 3.98Å; F186-V196 HydrophobicContact CE2-CG2 4.28Å; F186-V196 HydrophobicContact CG-CG2 3.62Å; F186-V196 HydrophobicContact CZ-CG2 4.28Å
187	Q	95.4	Very high	96.2	Very high	111 Å²	111	35.5 Å²	35.5	52%	0.519	18%	0.184	S	C	.	.	H	α-helix	trans	-60.1	-45.6	175.8	-176.1	-176.5	8.5	0	0	111.3	A183 M190	A183-Q187 WeakPolarHBondContact O-CB 3.46Å; A183-Q187 PolarHBondContact O-N 3.07Å; Q187-M190 WeakPolarHBondContact O-CG 3.23Å
188	T	96	Very high	96.3	Very high	22 Å²	22	36.6 Å²	36.6	14%	0.135	19%	0.188	C	C	.	.	H	α-helix	trans	-81.1	-18.1	178.6	60	0	0	0	0	113	T184 L185 F186 R413 V453 H454 T456	T184-T188 HydrophobicContact CG2-CG2 4.36Å; T184-T188 WeakPolarHBondContact O-CB 3.33Å; T184-T188 WeakPolarHBondContact O-CG2 3.45Å; T184-T188 PolarHBondContact O-N 2.79Å; T184-T188 PolarHBondContact O-OG1 3.43Å; L185-T188 PolarHBondContact O-N 3.33Å; L185-T188 PolarHBondContact O-OG1 3.01Å; F186-T188 PolarHBondContact O-N 2.87Å; T188-R413 PolarHBondContact O-NH2 3.34Å; T188-V453 HydrophobicContact CG2-CG1 4.39Å; T188-H454 WeakPolarHBondContact CB-O 3.27Å; T188-T456 PolarHBondContact OG1-N 2.9Å
189	W	95.9	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.1	-34.9	173.6	-159.3	-10.3	0	0	0	110.6	V154 V157 K158 L161 L185 F186 V191 G409 L412 R413 R455	V154-W189 HydrophobicContact CG1-CH2 4.35Å; V154-W189 HydrophobicContact CG1-CZ3 4.43Å; V157-W189 HydrophobicContact CG1-CH2 3.91Å; V157-W189 HydrophobicContact CG1-CZ3 3.78Å; K158-W189 HydrophobicContact CG-CH2 3.74Å; K158-W189 HydrophobicContact CG-CZ2 3.98Å; L161-W189 HydrophobicContact CD1-CH2 4.12Å; L161-W189 HydrophobicContact CD1-CZ2 4.11Å; L185-W189 HydrophobicContact CG-CE3 4.23Å; L185-W189 WeakPolarHBondContact O-CA 3.45Å; L185-W189 WeakPolarHBondContact O-CB 3.39Å; L185-W189 PolarHBondContact O-N 3.14Å; F186-W189 HydrophobicContact CD1-CE3 4.34Å; F186-W189 HydrophobicContact CE1-CE3 4.36Å; F186-W189 HydrophobicContact CE1-CZ3 4.46Å; F186-W189 PolarHBondContact O-N 2.82Å; W189-V191 VanDerWaalsContact C-N 3.32Å; W189-V191 HydrophobicContact CB-CG2 4.17Å; W189-V191 HydrophobicContact CD2-CG2 3.75Å; W189-V191 HydrophobicContact CG-CG2 3.48Å; W189-V191 VanDerWaalsContact CG-CG2 3.48Å; W189-V191 PolarHBondContact O-N 3.42Å; W189-G409 PolarHBondContact NE1-O 2.92Å; W189-L412 HydrophobicContact CZ2-CD1 3.8Å; W189-R413 WeakPolarHBondContact O-CD 3.39Å; W189-R413 WeakPolarHBondContact O-CG 3.33Å; W189-R413 PolarHBondContact O-NE 3.33Å; W189-R455 HydrophobicContact CB-CG 4.02Å; W189-R455 VanDerWaalsContact CD1-CD 3.46Å; W189-R455 HydrophobicContact CG-CG 4.09Å
190	M	92.6	Very high	96.2	Very high	25 Å²	25	37.2 Å²	37.2	12%	0.123	19%	0.191	C	C	.	.			trans	50.3	49.5	175.7	-57.1	-174.6	-53.2	0	0	112.6	F186 Q187 P192 L430 V453	F186-M190 PolarHBondContact O-N 3.24Å; Q187-M190 WeakPolarHBondContact O-CG 3.23Å; M190-P192 WeakPolarHBondContact O-CD 3.31Å; M190-L430 HydrophobicContact CE-CD2 3.65Å; M190-L430 HydrophobicContact SD-CD2 4.11Å; M190-V453 HydrophobicContact CE-CB 3.56Å; M190-V453 HydrophobicContact CE-CG1 3.96Å; M190-V453 HydrophobicContact CE-CG2 4.02Å; M190-V453 HydrophobicContact SD-CB 3.98Å; M190-V453 HydrophobicContact SD-CG1 3.94Å; M190-V453 HydrophobicContact SD-CG2 4.02Å
191	V	92.8	Very high	96.1	Very high	13 Å²	13	33.4 Å²	33.4	8%	0.079	17%	0.173	C	C	.	.			trans	-78.7	124.8	179.4	-178.8	0	0	0	0	109.5	L161 W189 V194 L412	L161-V191 HydrophobicContact CD1-CG1 4.11Å; L161-V191 HydrophobicContact CD1-CG2 4.06Å; W189-V191 VanDerWaalsContact C-N 3.32Å; W189-V191 HydrophobicContact CB-CG2 4.17Å; W189-V191 HydrophobicContact CD2-CG2 3.75Å; W189-V191 HydrophobicContact CG-CG2 3.48Å; W189-V191 VanDerWaalsContact CG-CG2 3.48Å; W189-V191 PolarHBondContact O-N 3.42Å; V191-V194 HydrophobicContact CB-CB 4.29Å; V191-V194 HydrophobicContact CB-CG2 3.99Å; V191-V194 HydrophobicContact CG1-CB 4.42Å; V191-V194 HydrophobicContact CG1-CG2 3.62Å; V191-V194 PolarHBondContact O-N 3.12Å; V191-L412 WeakPolarHBondContact CG1-O 3.28Å
192	P	91.1	Very high	95.9	Very high	42 Å²	42	36.3 Å²	36.3	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	146.5	178.4	-25.3	34.3	0	0	0	112.9	R164 M190 V194 R413 E415	R164-P192 PolarHBondContact NH1-O 3.12Å; M190-P192 WeakPolarHBondContact O-CD 3.31Å; P192-V194 PolarHBondContact O-N 3.33Å; P192-R413 WeakPolarHBondContact CD-O 3.32Å; P192-R413 WeakPolarHBondContact CG-O 3.39Å; P192-E415 HydrophobicContact CB-CB 4.47Å; P192-E415 HydrophobicContact CB-CG 4.49Å; P192-E415 HydrophobicContact CG-CB 4.38Å
193	A	92	Very high	95.7	Very high	25 Å²	25	43 Å²	43	21%	0.207	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	32.4	178.3	0	0	0	0	0	114.1	P167 L168 F417	P167-A193 WeakPolarHBondContact CA-O 3.44Å; P167-A193 HydrophobicContact CB-CB 4.17Å; P167-A193 HydrophobicContact CG-CB 4.4Å; L168-A193 PolarHBondContact N-O 3.13Å; A193-F417 HydrophobicContact CB-CE2 4.15Å
194	V	94.2	Very high	95.5	Very high	31 Å²	31	42.6 Å²	42.6	19%	0.188	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.8	172.1	177	0	0	0	0	109.3	L161 L168 F170 F186 V191 P192 V196	L161-V194 HydrophobicContact CD2-CG2 4.07Å; L168-V194 WeakPolarHBondContact O-CA 3.38Å; F170-V194 HydrophobicContact CD2-CG1 3.74Å; F170-V194 HydrophobicContact CE2-CG1 3.82Å; F186-V194 HydrophobicContact CD1-CG1 4.4Å; F186-V194 HydrophobicContact CE1-CG1 4.34Å; V191-V194 HydrophobicContact CB-CB 4.29Å; V191-V194 HydrophobicContact CB-CG2 3.99Å; V191-V194 HydrophobicContact CG1-CB 4.42Å; V191-V194 HydrophobicContact CG1-CG2 3.62Å; V191-V194 PolarHBondContact O-N 3.12Å; P192-V194 PolarHBondContact O-N 3.33Å; V194-V196 HydrophobicContact CG1-CG2 4.12Å
195	R	95.3	Very high	95.4	Very high	140 Å²	140	44.1 Å²	44.1	53%	0.528	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145	169.3	-175.3	175.3	172.6	154.3	0	110	L168 H169 F170 D197	L168-R195 PolarHBondContact O-N 3.33Å; H169-R195 CarbonylContact C-O 3.19Å; H169-R195 WeakPolarHBondContact CA-O 3.26Å; H169-R195 HydrophobicContact CB-CB 4.43Å; F170-R195 PolarHBondContact N-O 2.87Å; R195-D197 IonicContact CZ-OD1 3.72Å; R195-D197 IonicContact NE-OD1 3.84Å; R195-D197 PolarHBondContact NE-OD1 2.75Å; R195-D197 IonicContact NE-OD2 2.63Å; R195-D197 IonicContact NH2-OD1 3.32Å; R195-D197 IonicContact NH2-OD2 3.59Å
196	V	97.4	Very high	95.2	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.4	175.2	-171.7	0	0	0	0	109.1	F170 L172 F186 V194 F198	F170-V196 HydrophobicContact CB-CG1 4.37Å; F170-V196 HydrophobicContact CB-CG2 4.27Å; F170-V196 HydrophobicContact CD2-CG2 4.36Å; F170-V196 WeakPolarHBondContact O-CA 3.44Å; L172-V196 HydrophobicContact CD1-CG1 3.5Å; L172-V196 VanDerWaalsContact CD1-CG1 3.5Å; L172-V196 HydrophobicContact CG-CG1 3.94Å; F186-V196 HydrophobicContact CB-CG2 4.04Å; F186-V196 HydrophobicContact CD1-CG2 3.64Å; F186-V196 HydrophobicContact CD2-CG1 4.31Å; F186-V196 HydrophobicContact CD2-CG2 3.95Å; F186-V196 HydrophobicContact CE1-CG2 3.98Å; F186-V196 HydrophobicContact CE2-CG2 4.28Å; F186-V196 HydrophobicContact CG-CG2 3.62Å; F186-V196 HydrophobicContact CZ-CG2 4.28Å; V194-V196 HydrophobicContact CG1-CG2 4.12Å; V196-F198 HydrophobicContact CB-CE2 4.5Å; V196-F198 HydrophobicContact CG1-CD2 4.38Å; V196-F198 HydrophobicContact CG1-CE1 4.4Å; V196-F198 HydrophobicContact CG1-CE2 3.73Å; V196-F198 HydrophobicContact CG1-CZ 3.73Å
197	D	98.1	Very high	95.2	Very high	39 Å²	39	48.8 Å²	48.8	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.4	169.2	-62.7	-24.7	0	0	0	109.6	H169 F170 L172 R195 Y199	H169-D197 IonicContact CE1-OD2 3.51Å; H169-D197 PolarHBondContact CE1-OD2 2.97Å; H169-D197 IonicContact NE2-OD1 2.67Å; H169-D197 IonicContact NE2-OD2 3.75Å; H169-D197 PolarHBondContact NE2-OD2 2.77Å; F170-D197 PolarHBondContact O-N 2.96Å; L172-D197 PolarHBondContact N-O 3.44Å; R195-D197 IonicContact CZ-OD1 3.72Å; R195-D197 IonicContact NE-OD1 3.84Å; R195-D197 PolarHBondContact NE-OD1 2.75Å; R195-D197 IonicContact NE-OD2 2.63Å; R195-D197 IonicContact NH2-OD1 3.32Å; R195-D197 IonicContact NH2-OD2 3.59Å; D197-Y199 HydrophobicContact CB-CE2 4.01Å
198	F	98.4	Very high	95.3	Very high	50 Å²	50	43.5 Å²	43.5	22%	0.219	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144.5	179.9	-66.1	-86.9	0	0	0	111.6	L172 A174 E179 L182 A183 V196	L172-F198 HydrophobicContact CB-CD1 3.83Å; L172-F198 HydrophobicContact CB-CE1 3.94Å; L172-F198 HydrophobicContact CD1-CD1 4.25Å; L172-F198 HydrophobicContact CD1-CE1 3.5Å; L172-F198 HydrophobicContact CD1-CZ 3.87Å; L172-F198 HydrophobicContact CG-CE1 4.32Å; L172-F198 CarbonylContact O-C 3.59Å; L172-F198 WeakPolarHBondContact O-CA 3.4Å; A174-F198 HydrophobicContact CB-CD1 4.19Å; E179-F198 HydrophobicContact CB-CD1 4.05Å; E179-F198 HydrophobicContact CB-CG 4.45Å; E179-F198 HydrophobicContact CG-CB 3.97Å; E179-F198 HydrophobicContact CG-CD1 3.83Å; E179-F198 HydrophobicContact CG-CD2 4.28Å; E179-F198 HydrophobicContact CG-CE1 4.41Å; E179-F198 HydrophobicContact CG-CG 3.76Å; L182-F198 HydrophobicContact CB-CE1 3.7Å; L182-F198 HydrophobicContact CB-CZ 3.81Å; A183-F198 HydrophobicContact CB-CE2 3.77Å; A183-F198 HydrophobicContact CB-CZ 3.99Å; V196-F198 HydrophobicContact CB-CE2 4.5Å; V196-F198 HydrophobicContact CG1-CD2 4.38Å; V196-F198 HydrophobicContact CG1-CE1 4.4Å; V196-F198 HydrophobicContact CG1-CE2 3.73Å; V196-F198 HydrophobicContact CG1-CZ 3.73Å
199	Y	98	Very high	95.3	Very high	37 Å²	37	46 Å²	46	15%	0.145	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.8	177.4	-57.2	-96.3	0	0	0	107.9	H171 L172 I173 A174 D197 A201 T230 L231 P232	H171-Y199 HydrophobicContact CB-CD2 4.39Å; H171-Y199 HydrophobicContact CB-CE2 3.72Å; H171-Y199 AromaticContact ND1-CE2 3.79Å; H171-Y199 AromaticContact ND1-CZ 3.9Å; H171-Y199 PolarHBondContact ND1-OH 3.27Å; L172-Y199 PolarHBondContact O-N 3.27Å; I173-Y199 WeakPolarHBondContact CA-O 3.45Å; A174-Y199 PolarHBondContact N-O 2.99Å; D197-Y199 HydrophobicContact CB-CE2 4.01Å; Y199-A201 PolarHBondContact O-N 3.35Å; Y199-A201 VanDerWaalsContact O-N 3.07Å; Y199-T230 HydrophobicContact CD1-CG2 3.56Å; Y199-T230 WeakPolarHBondContact CD1-O 3.33Å; Y199-T230 HydrophobicContact CE1-CG2 4.46Å; Y199-T230 WeakPolarHBondContact CE1-O 3.37Å; Y199-T230 HydrophobicContact CG-CG2 3.71Å; Y199-L231 HydrophobicContact CE2-CD2 4.09Å; Y199-P232 VanDerWaalsContact OH-CD 3.31Å; Y199-P232 WeakPolarHBondContact OH-CD 3.37Å; Y199-P232 WeakPolarHBondContact OH-CG 3.31Å
200	N	96.8	Very high	95.4	Very high	47 Å²	47	50.1 Å²	50.1	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	110.5	-172.3	-174.3	-6.9	0	0	0	111.4	D202 E203	N200-D202 PolarHBondContact O-N 3.31Å; N200-D202 VanDerWaalsContact OD1-CB 3.28Å; N200-D202 WeakPolarHBondContact OD1-CB 3.28Å; N200-D202 PolarHBondContact OD1-N 3.26Å; N200-E203 HydrophobicContact CB-CB 4.43Å; N200-E203 HydrophobicContact CB-CG 4.17Å; N200-E203 PolarHBondContact ND2-OE1 3.27Å; N200-E203 PolarHBondContact O-N 3.04Å
201	A	95.8	Very high	95.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-29.3	179.4	0	0	0	0	0	111.9	I173 A174 Y199 E203 L204 K205 Y220	I173-A201 HydrophobicContact CG2-CB 3.97Å; A174-A201 WeakPolarHBondContact O-CB 3.3Å; A174-A201 PolarHBondContact O-N 3.35Å; Y199-A201 PolarHBondContact O-N 3.35Å; Y199-A201 VanDerWaalsContact O-N 3.07Å; A201-E203 VanDerWaalsContact C-N 3.29Å; A201-E203 PolarHBondContact O-N 2.76Å; A201-L204 PolarHBondContact O-N 3.19Å; A201-L204 VanDerWaalsContact O-N 3.1Å; A201-K205 WeakPolarHBondContact O-CG 3.41Å; A201-K205 PolarHBondContact O-N 3.47Å; A201-K205 VanDerWaalsContact O-N 3.12Å; A201-Y220 HydrophobicContact CB-CD1 4.33Å; A201-Y220 HydrophobicContact CB-CE1 3.98Å
202	D	92.8	Very high	95.8	Very high	62 Å²	62	51.6 Å²	51.6	33%	0.332	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-35.3	179.9	-65.4	-43.4	0	0	0	111.8	N200 L204 K205	N200-D202 PolarHBondContact O-N 3.31Å; N200-D202 VanDerWaalsContact OD1-CB 3.28Å; N200-D202 WeakPolarHBondContact OD1-CB 3.28Å; N200-D202 PolarHBondContact OD1-N 3.26Å; D202-L204 VanDerWaalsContact C-N 3.28Å; D202-L204 PolarHBondContact O-N 3.22Å; D202-K205 WeakPolarHBondContact OD1-CE 3.42Å; D202-K205 IonicContact OD1-NZ 3.44Å; D202-K205 PolarHBondContact OD1-NZ 3.29Å
203	E	94.9	Very high	96	Very high	142 Å²	142	51.5 Å²	51.5	66%	0.664	27%	0.266	S	S	*	.	H	α-helix	trans	-71.7	-23.4	175.1	-69.8	169.4	-151.7	0	0	112.8	N200 A201	N200-E203 HydrophobicContact CB-CB 4.43Å; N200-E203 HydrophobicContact CB-CG 4.17Å; N200-E203 PolarHBondContact ND2-OE1 3.27Å; N200-E203 PolarHBondContact O-N 3.04Å; A201-E203 VanDerWaalsContact C-N 3.29Å; A201-E203 PolarHBondContact O-N 2.76Å
204	L	94.8	Very high	96.1	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	29%	0.289	C	S	.	.	H	α-helix	trans	-93.4	-12.5	-178	-59.9	172.4	0	0	0	112.9	I173 A201 D202 S206 E207 M223 V226 T230	I173-L204 HydrophobicContact CG2-CD1 4.04Å; A201-L204 PolarHBondContact O-N 3.19Å; A201-L204 VanDerWaalsContact O-N 3.1Å; D202-L204 VanDerWaalsContact C-N 3.28Å; D202-L204 PolarHBondContact O-N 3.22Å; L204-S206 VanDerWaalsContact C-N 3.28Å; L204-S206 PolarHBondContact O-N 3.37Å; L204-E207 WeakPolarHBondContact O-CB 3.44Å; L204-E207 PolarHBondContact O-N 2.83Å; L204-M223 HydrophobicContact CB-SD 4Å; L204-V226 HydrophobicContact CB-CG2 4.49Å; L204-V226 HydrophobicContact CD1-CG2 4.36Å; L204-T230 HydrophobicContact CD1-CG2 3.64Å; L204-T230 WeakPolarHBondContact CD1-OG1 3.4Å
205	K	94.6	Very high	96.1	Very high	64 Å²	64	58.2 Å²	58.2	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-53.1	-42.7	-176	-79.7	177.3	178.8	170.4	0	112.7	A201 D202 E207 V208 S209 I219 Y220 M223	A201-K205 WeakPolarHBondContact O-CG 3.41Å; A201-K205 PolarHBondContact O-N 3.47Å; A201-K205 VanDerWaalsContact O-N 3.12Å; D202-K205 WeakPolarHBondContact OD1-CE 3.42Å; D202-K205 IonicContact OD1-NZ 3.44Å; D202-K205 PolarHBondContact OD1-NZ 3.29Å; K205-E207 PolarHBondContact O-N 2.71Å; K205-E207 VanDerWaalsContact O-N 3.17Å; K205-V208 PolarHBondContact O-N 3.47Å; K205-S209 VanDerWaalsContact O-CB 3.26Å; K205-S209 WeakPolarHBondContact O-CB 3.34Å; K205-S209 PolarHBondContact O-N 3.31Å; K205-S209 PolarHBondContact O-OG 3.3Å; K205-I219 HydrophobicContact CB-CD1 4Å; K205-I219 HydrophobicContact CG-CD1 4.01Å; K205-Y220 PolarHBondContact NZ-OH 3.48Å; K205-M223 HydrophobicContact CB-CE 4.33Å; K205-M223 HydrophobicContact CG-CE 3.78Å
206	S	96	Very high	95.8	Very high	84 Å²	84	57.6 Å²	57.6	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-63.2	-22.2	-177.8	53.8	0	0	0	0	114.1	L204 V208	L204-S206 VanDerWaalsContact C-N 3.28Å; L204-S206 PolarHBondContact O-N 3.37Å; S206-V208 VanDerWaalsContact C-N 3.28Å; S206-V208 PolarHBondContact O-N 2.94Å
207	E	96.3	Very high	95.4	Very high	37 Å²	37	58.3 Å²	58.3	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-72.3	-23.9	-178.7	-59.1	-63	173.5	0	0	112.9	L204 K205 W210 V226 K229 R317	L204-E207 WeakPolarHBondContact O-CB 3.44Å; L204-E207 PolarHBondContact O-N 2.83Å; K205-E207 PolarHBondContact O-N 2.71Å; K205-E207 VanDerWaalsContact O-N 3.17Å; E207-W210 PolarHBondContact O-NE1 2.83Å; E207-V226 HydrophobicContact CB-CG1 3.72Å; E207-V226 HydrophobicContact CG-CG1 4.44Å; E207-K229 VanDerWaalsContact CD-NZ 3.29Å; E207-K229 IonicContact OE1-NZ 3.98Å; E207-K229 PolarHBondContact OE1-NZ 3.34Å; E207-K229 IonicContact OE2-NZ 2.65Å; E207-R317 IonicContact OE2-CZ 3.39Å; E207-R317 IonicContact OE2-NH2 2.73Å; E207-R317 PolarHBondContact OE2-NH2 2.89Å
208	V	97	Very high	95.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-127.9	-13.5	-173.5	-62.7	0	0	0	0	113.7	K205 S206 W210 I211 I219 L222 M223 V226 W316	K205-V208 PolarHBondContact O-N 3.47Å; S206-V208 VanDerWaalsContact C-N 3.28Å; S206-V208 PolarHBondContact O-N 2.94Å; V208-W210 PolarHBondContact O-N 3.44Å; V208-W210 VanDerWaalsContact O-N 3.09Å; V208-I211 HydrophobicContact CB-CD1 4.32Å; V208-I211 WeakPolarHBondContact O-CB 3.09Å; V208-I211 WeakPolarHBondContact O-CG1 3.43Å; V208-I211 PolarHBondContact O-N 2.83Å; V208-I219 HydrophobicContact CG2-CD1 4.27Å; V208-I219 HydrophobicContact CG2-CG1 3.85Å; V208-L222 HydrophobicContact CB-CB 3.9Å; V208-L222 HydrophobicContact CB-CD1 4.31Å; V208-L222 HydrophobicContact CG1-CB 4.25Å; V208-L222 HydrophobicContact CG2-CB 4.04Å; V208-M223 HydrophobicContact CG2-CE 3.82Å; V208-M223 HydrophobicContact CG2-SD 4Å; V208-V226 HydrophobicContact CG1-CG1 3.8Å; V208-W316 HydrophobicContact CG1-CH2 4.37Å
209	S	96.7	Very high	95	Very high	74 Å²	74	57.8 Å²	57.8	52%	0.517	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.7	-176.1	60.3	0	0	0	0	114.5	K205 I211	K205-S209 VanDerWaalsContact O-CB 3.26Å; K205-S209 WeakPolarHBondContact O-CB 3.34Å; K205-S209 PolarHBondContact O-N 3.31Å; K205-S209 PolarHBondContact O-OG 3.3Å; S209-I211 PolarHBondContact O-N 3.1Å
210	W	97.3	Very high	94.8	Very high	86 Å²	86	58.7 Å²	58.7	33%	0.326	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.1	176.3	63.5	-91.3	0	0	0	113.1	E207 V208 P212 W316 R317 A320 E321 L324	E207-W210 PolarHBondContact O-NE1 2.83Å; V208-W210 PolarHBondContact O-N 3.44Å; V208-W210 VanDerWaalsContact O-N 3.09Å; W210-P212 VanDerWaalsContact O-CD 3.3Å; W210-P212 WeakPolarHBondContact O-CD 3.33Å; W210-W316 HydrophobicContact CH2-CZ3 4.44Å; W210-W316 HydrophobicContact CZ2-CH2 4.19Å; W210-W316 AromaticContact CZ2-CZ3 3.69Å; W210-W316 HydrophobicContact CZ2-CZ3 3.69Å; W210-R317 HydrophobicContact CZ2-CG 4.23Å; W210-A320 HydrophobicContact CH2-CB 3.84Å; W210-A320 HydrophobicContact CZ3-CB 4.5Å; W210-E321 HydrophobicContact CH2-CG 3.85Å; W210-E321 HydrophobicContact CZ3-CG 3.84Å; W210-L324 HydrophobicContact CE3-CD1 4.42Å; W210-L324 HydrophobicContact CZ3-CD1 3.86Å
211	I	97.9	Very high	94.7	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	30%	0.296	C	S	.	.	S	Bend	trans	-87.9	111.8	179.8	-54.6	168.4	0	0	0	108.8	V208 S209 N213 L222 L225 W316 L324 T330 I337	V208-I211 HydrophobicContact CB-CD1 4.32Å; V208-I211 WeakPolarHBondContact O-CB 3.09Å; V208-I211 WeakPolarHBondContact O-CG1 3.43Å; V208-I211 PolarHBondContact O-N 2.83Å; S209-I211 PolarHBondContact O-N 3.1Å; I211-N213 PolarHBondContact O-N 2.86Å; I211-L222 HydrophobicContact CB-CD1 3.95Å; I211-L222 HydrophobicContact CD1-CD1 4.44Å; I211-L222 HydrophobicContact CD1-CD2 4.43Å; I211-L222 HydrophobicContact CG2-CD1 4.21Å; I211-L222 HydrophobicContact CG2-CD2 4.18Å; I211-L225 HydrophobicContact CD1-CD1 4.09Å; I211-W316 HydrophobicContact CD1-CH2 4.44Å; I211-W316 HydrophobicContact CD1-CZ3 3.81Å; I211-L324 HydrophobicContact CG2-CD1 4.37Å; I211-T330 HydrophobicContact CG2-CG2 3.92Å; I211-I337 HydrophobicContact CD1-CD1 3.86Å; I211-I337 HydrophobicContact CG2-CD1 4.06Å
212	P	97	Very high	94.7	Very high	63 Å²	63	57 Å²	57	41%	0.409	30%	0.297	S	S	.	.			trans	-64.4	127.6	175.4	-18.6	32.7	0	0	0	110.3	W210 L328 S329 T330	W210-P212 VanDerWaalsContact O-CD 3.3Å; W210-P212 WeakPolarHBondContact O-CD 3.33Å; P212-L328 WeakPolarHBondContact CB-O 3.36Å; P212-S329 CarbonylContact O-C 3.55Å; P212-S329 WeakPolarHBondContact O-CA 3.49Å; P212-S329 WeakPolarHBondContact O-CB 3.25Å; P212-T330 PolarHBondContact O-N 3.08Å; P212-T330 PolarHBondContact O-OG1 3.4Å
213	N	95.6	Very high	94.9	Very high	41 Å²	41	54 Å²	54	22%	0.219	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-134.6	135.7	-173.7	-176.3	28.6	0	0	0	112.3	I211 H215 G218 L222 T330	I211-N213 PolarHBondContact O-N 2.86Å; N213-H215 VanDerWaalsContact OD1-CB 3.31Å; N213-H215 WeakPolarHBondContact OD1-CB 3.36Å; N213-H215 PolarHBondContact OD1-N 2.94Å; N213-G218 PolarHBondContact ND2-O 3.04Å; N213-L222 HydrophobicContact CB-CD1 4.1Å; N213-T330 WeakPolarHBondContact CA-OG1 3.23Å; N213-T330 WeakPolarHBondContact CB-OG1 3.4Å; N213-T330 VanDerWaalsContact CG-OG1 3.28Å; N213-T330 PolarHBondContact OD1-O 2.91Å; N213-T330 PolarHBondContact OD1-OG1 3.29Å
214	K	93.9	Very high	95.1	Very high	157 Å²	157	47.8 Å²	47.8	68%	0.683	25%	0.251	S	S	*	.			trans	-105.6	-2.2	176.9	-67	174.8	178.2	158	0	113.7	S329 T330	K214-S329 WeakPolarHBondContact CD-OG 3.41Å; K214-S329 WeakPolarHBondContact CE-OG 3.03Å; K214-S329 PolarHBondContact NZ-OG 2.9Å; K214-S329 VanDerWaalsContact NZ-OG 3.08Å; K214-T330 PolarHBondContact N-O 3.49Å
215	H	92.9	Very high	95.2	Very high	40 Å²	40	46.7 Å²	46.7	19%	0.185	25%	0.246	C	C	.	.			trans	-65.6	144.7	-178.5	-168.4	-101.7	0	0	0	111.6	N213 S217 G218 A333	N213-H215 VanDerWaalsContact OD1-CB 3.31Å; N213-H215 WeakPolarHBondContact OD1-CB 3.36Å; N213-H215 PolarHBondContact OD1-N 2.94Å; H215-S217 PolarHBondContact CE1-OG 3.26Å; H215-S217 WeakPolarHBondContact ND1-CB 3.42Å; H215-S217 PolarHBondContact ND1-N 2.8Å; H215-S217 PolarHBondContact ND1-OG 3.44Å; H215-S217 PolarHBondContact O-N 3.39Å; H215-G218 PolarHBondContact O-N 3.01Å; H215-A333 HydrophobicContact CB-CB 3.81Å
216	Y	89.4	Confident	95.3	Very high	126 Å²	126	43.8 Å²	43.8	49%	0.494	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.9	-175.5	68.4	-91.9	0	0	0	113.4	G218 P384	Y216-G218 PolarHBondContact O-N 2.83Å; Y216-P384 HydrophobicContact CD1-CG 4.03Å; Y216-P384 HydrophobicContact CE1-CG 4.03Å
217	S	88.9	Confident	95.4	Very high	47 Å²	47	39.9 Å²	39.9	33%	0.329	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	1.6	173.6	-43.8	0	0	0	0	113.7	H215 Y220 G221	H215-S217 PolarHBondContact CE1-OG 3.26Å; H215-S217 WeakPolarHBondContact ND1-CB 3.42Å; H215-S217 PolarHBondContact ND1-N 2.8Å; H215-S217 PolarHBondContact ND1-OG 3.44Å; H215-S217 PolarHBondContact O-N 3.39Å; S217-Y220 PolarHBondContact O-N 3.27Å; S217-G221 PolarHBondContact O-N 3.19Å
218	G	93.4	Very high	95.4	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	56	-141.1	177.7	0	0	0	0	0	112.9	N213 H215 Y216 Y220 G221	N213-G218 PolarHBondContact ND2-O 3.04Å; H215-G218 PolarHBondContact O-N 3.01Å; Y216-G218 PolarHBondContact O-N 2.83Å; G218-Y220 VanDerWaalsContact C-N 3.26Å; G218-Y220 PolarHBondContact O-N 3.07Å; G218-G221 PolarHBondContact O-N 2.99Å
219	I	94.3	Very high	95.3	Very high	47 Å²	47	43.7 Å²	43.7	24%	0.241	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-62.3	-31.9	-177.9	-165.2	167.3	0	0	0	112.9	K205 V208 G221 L222 M223	K205-I219 HydrophobicContact CB-CD1 4Å; K205-I219 HydrophobicContact CG-CD1 4.01Å; V208-I219 HydrophobicContact CG2-CD1 4.27Å; V208-I219 HydrophobicContact CG2-CG1 3.85Å; I219-G221 PolarHBondContact O-N 3.4Å; I219-L222 WeakPolarHBondContact O-CB 3.47Å; I219-L222 PolarHBondContact O-N 3.16Å; I219-M223 HydrophobicContact CD1-CE 4.45Å; I219-M223 HydrophobicContact CG1-CE 4.08Å
220	Y	94.5	Very high	95.3	Very high	56 Å²	56	41.2 Å²	41.2	22%	0.22	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-65.2	-28.1	-179.1	-57.4	-66.3	0	0	0	112.3	A145 D175 A201 K205 S217 G218 L222 M223	A145-Y220 HydrophobicContact CB-CD1 3.45Å; A145-Y220 VanDerWaalsContact CB-CD1 3.45Å; A145-Y220 HydrophobicContact CB-CD2 3.61Å; A145-Y220 HydrophobicContact CB-CE1 3.46Å; A145-Y220 VanDerWaalsContact CB-CE1 3.46Å; A145-Y220 HydrophobicContact CB-CE2 3.6Å; A145-Y220 HydrophobicContact CB-CG 3.52Å; D175-Y220 HydrophobicContact CB-CE1 4.39Å; D175-Y220 PolarHBondContact OD2-OH 3.16Å; A201-Y220 HydrophobicContact CB-CD1 4.33Å; A201-Y220 HydrophobicContact CB-CE1 3.98Å; K205-Y220 PolarHBondContact NZ-OH 3.48Å; S217-Y220 PolarHBondContact O-N 3.27Å; G218-Y220 VanDerWaalsContact C-N 3.26Å; G218-Y220 PolarHBondContact O-N 3.07Å; Y220-L222 PolarHBondContact O-N 2.96Å; Y220-L222 VanDerWaalsContact O-N 3.12Å; Y220-M223 HydrophobicContact CD1-CG 4.46Å; Y220-M223 WeakPolarHBondContact O-CB 3.38Å; Y220-M223 PolarHBondContact O-N 2.9Å; Y220-M223 VanDerWaalsContact O-N 3.12Å
221	G	94.2	Very high	95.4	Very high	10 Å²	10	37.4 Å²	37.4	10%	0.103	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.1	-16	172.4	0	0	0	0	0	114.3	S217 G218 I219 A333 D334	S217-G221 PolarHBondContact O-N 3.19Å; G218-G221 PolarHBondContact O-N 2.99Å; I219-G221 PolarHBondContact O-N 3.4Å; G221-A333 VanDerWaalsContact O-CB 3.29Å; G221-A333 WeakPolarHBondContact O-CB 3.41Å; G221-D334 VanDerWaalsContact O-CB 3.25Å; G221-D334 WeakPolarHBondContact O-CB 3.49Å; G221-D334 PolarHBondContact O-N 2.82Å
222	L	97.4	Very high	95.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-95.2	-12	177.9	-63	167.1	0	0	0	112.9	V208 I211 N213 I219 Y220 K224 L225 A333 I337	V208-L222 HydrophobicContact CB-CB 3.9Å; V208-L222 HydrophobicContact CB-CD1 4.31Å; V208-L222 HydrophobicContact CG1-CB 4.25Å; V208-L222 HydrophobicContact CG2-CB 4.04Å; I211-L222 HydrophobicContact CB-CD1 3.95Å; I211-L222 HydrophobicContact CD1-CD1 4.44Å; I211-L222 HydrophobicContact CD1-CD2 4.43Å; I211-L222 HydrophobicContact CG2-CD1 4.21Å; I211-L222 HydrophobicContact CG2-CD2 4.18Å; N213-L222 HydrophobicContact CB-CD1 4.1Å; I219-L222 WeakPolarHBondContact O-CB 3.47Å; I219-L222 PolarHBondContact O-N 3.16Å; Y220-L222 PolarHBondContact O-N 2.96Å; Y220-L222 VanDerWaalsContact O-N 3.12Å; L222-K224 PolarHBondContact O-N 3.01Å; L222-K224 VanDerWaalsContact O-N 3.13Å; L222-L225 HydrophobicContact CB-CD1 4.42Å; L222-L225 HydrophobicContact CD2-CD1 4.24Å; L222-L225 VanDerWaalsContact O-CB 3.31Å; L222-L225 WeakPolarHBondContact O-CB 3.15Å; L222-L225 WeakPolarHBondContact O-CG 3.29Å; L222-L225 PolarHBondContact O-N 3.27Å; L222-A333 HydrophobicContact CD2-CB 4.03Å; L222-A333 HydrophobicContact CG-CB 4.34Å; L222-I337 HydrophobicContact CD2-CD1 4.37Å
223	M	96.9	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68.3	-16.6	-168.8	-67.5	-70.3	176.3	0	0	113.8	V143 I173 L204 K205 V208 I219 Y220 L225 V226	V143-M223 HydrophobicContact CG1-CB 3.89Å; V143-M223 HydrophobicContact CG1-CG 4.4Å; V143-M223 HydrophobicContact CG2-CB 3.93Å; I173-M223 HydrophobicContact CG2-CB 4.45Å; L204-M223 HydrophobicContact CB-SD 4Å; K205-M223 HydrophobicContact CB-CE 4.33Å; K205-M223 HydrophobicContact CG-CE 3.78Å; V208-M223 HydrophobicContact CG2-CE 3.82Å; V208-M223 HydrophobicContact CG2-SD 4Å; I219-M223 HydrophobicContact CD1-CE 4.45Å; I219-M223 HydrophobicContact CG1-CE 4.08Å; Y220-M223 HydrophobicContact CD1-CG 4.46Å; Y220-M223 WeakPolarHBondContact O-CB 3.38Å; Y220-M223 PolarHBondContact O-N 2.9Å; Y220-M223 VanDerWaalsContact O-N 3.12Å; M223-L225 PolarHBondContact O-N 2.99Å; M223-V226 WeakPolarHBondContact O-CG2 3.02Å; M223-V226 PolarHBondContact O-N 3.05Å; M223-V226 HydrophobicContact SD-CG2 4.45Å
224	K	97.7	Very high	95.3	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.043	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.6	-21.9	173	-56.8	-167.9	-150.9	143.9	0	112.7	V143 L222 V226 L227 V240 D242 T297 I300 D334	V143-K224 HydrophobicContact CG2-CG 3.94Å; L222-K224 PolarHBondContact O-N 3.01Å; L222-K224 VanDerWaalsContact O-N 3.13Å; K224-V226 VanDerWaalsContact C-N 3.27Å; K224-V226 PolarHBondContact O-N 3.29Å; K224-L227 HydrophobicContact CB-CD1 4.17Å; K224-L227 WeakPolarHBondContact O-CG 3.38Å; K224-V240 HydrophobicContact CD-CG1 3.84Å; K224-V240 HydrophobicContact CG-CG1 4.3Å; K224-D242 WeakPolarHBondContact CE-OD1 3.42Å; K224-D242 IonicContact NZ-OD1 3.34Å; K224-D242 PolarHBondContact NZ-OD1 2.8Å; K224-D242 IonicContact NZ-OD2 2.71Å; K224-D242 PolarHBondContact NZ-OD2 3.21Å; K224-T297 PolarHBondContact NZ-O 2.79Å; K224-I300 HydrophobicContact CD-CD1 4.2Å; K224-D334 HydrophobicContact CB-CB 4.4Å; K224-D334 WeakPolarHBondContact CB-OD2 3.31Å; K224-D334 WeakPolarHBondContact CD-OD2 3.48Å; K224-D334 WeakPolarHBondContact CE-OD2 3.34Å; K224-D334 WeakPolarHBondContact CG-OD2 3.38Å; K224-D334 IonicContact NZ-OD2 3.75Å; K224-D334 PolarHBondContact NZ-OD2 3.24Å
225	L	97.9	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-66.8	-26.6	178.7	-64.8	170.2	0	0	0	113.1	I211 L222 M223 W316 D334 I337 F338	I211-L225 HydrophobicContact CD1-CD1 4.09Å; L222-L225 HydrophobicContact CB-CD1 4.42Å; L222-L225 HydrophobicContact CD2-CD1 4.24Å; L222-L225 VanDerWaalsContact O-CB 3.31Å; L222-L225 WeakPolarHBondContact O-CB 3.15Å; L222-L225 WeakPolarHBondContact O-CG 3.29Å; L222-L225 PolarHBondContact O-N 3.27Å; M223-L225 PolarHBondContact O-N 2.99Å; L225-W316 HydrophobicContact CB-CD2 4.19Å; L225-W316 HydrophobicContact CB-CH2 4.49Å; L225-W316 HydrophobicContact CB-CZ2 4.1Å; L225-W316 HydrophobicContact CD1-CE3 4.09Å; L225-W316 HydrophobicContact CD1-CZ3 4.15Å; L225-W316 HydrophobicContact CD2-CD2 4.29Å; L225-W316 HydrophobicContact CD2-CG 4.29Å; L225-W316 PolarHBondContact O-NE1 3.35Å; L225-D334 HydrophobicContact CD2-CB 4.43Å; L225-D334 HydrophobicContact CG-CB 4.16Å; L225-I337 HydrophobicContact CD1-CB 4.47Å; L225-I337 HydrophobicContact CD1-CD1 3.68Å; L225-I337 HydrophobicContact CD1-CG2 4.42Å; L225-I337 HydrophobicContact CD2-CB 4.12Å; L225-I337 HydrophobicContact CD2-CG2 3.78Å; L225-F338 HydrophobicContact CD2-CD2 3.89Å; L225-F338 HydrophobicContact CD2-CE2 3.79Å
226	V	97.1	Very high	95.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-97.9	-0.2	-174.6	-62.2	0	0	0	0	113.8	L204 E207 V208 M223 K224 T228 K229 T230 W316	L204-V226 HydrophobicContact CB-CG2 4.49Å; L204-V226 HydrophobicContact CD1-CG2 4.36Å; E207-V226 HydrophobicContact CB-CG1 3.72Å; E207-V226 HydrophobicContact CG-CG1 4.44Å; V208-V226 HydrophobicContact CG1-CG1 3.8Å; M223-V226 WeakPolarHBondContact O-CG2 3.02Å; M223-V226 PolarHBondContact O-N 3.05Å; M223-V226 HydrophobicContact SD-CG2 4.45Å; K224-V226 VanDerWaalsContact C-N 3.27Å; K224-V226 PolarHBondContact O-N 3.29Å; V226-T228 PolarHBondContact O-N 3.48Å; V226-T228 VanDerWaalsContact O-N 3.1Å; V226-K229 WeakPolarHBondContact O-CA 3.12Å; V226-K229 WeakPolarHBondContact O-CB 3.36Å; V226-K229 PolarHBondContact O-N 3.2Å; V226-T230 PolarHBondContact O-N 3.05Å; V226-T230 PolarHBondContact O-OG1 3.45Å; V226-T230 VanDerWaalsContact O-OG1 3.09Å; V226-W316 HydrophobicContact CG1-CZ2 4.34Å
227	L	97.9	Very high	96.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-34.9	-176.2	-68.8	175.1	0	0	0	114	A141 I173 K224 K229 T230 L231 V240 L302	A141-L227 HydrophobicContact CB-CD2 4.39Å; I173-L227 HydrophobicContact CD1-CD2 3.4Å; I173-L227 VanDerWaalsContact CD1-CD2 3.4Å; I173-L227 HydrophobicContact CG1-CD2 4Å; K224-L227 HydrophobicContact CB-CD1 4.17Å; K224-L227 WeakPolarHBondContact O-CG 3.38Å; L227-K229 PolarHBondContact O-N 2.74Å; L227-T230 PolarHBondContact O-N 2.93Å; L227-L231 HydrophobicContact CB-CD1 4.21Å; L227-L231 HydrophobicContact CD2-CD1 4.35Å; L227-L231 HydrophobicContact CD2-CG 4.4Å; L227-L231 WeakPolarHBondContact O-CB 3.38Å; L227-L231 WeakPolarHBondContact O-CG 3.42Å; L227-L231 PolarHBondContact O-N 3.16Å; L227-V240 HydrophobicContact CD1-CB 4.37Å; L227-V240 HydrophobicContact CD1-CG1 3.76Å; L227-V240 HydrophobicContact CD1-CG2 3.61Å; L227-L302 HydrophobicContact CB-CD1 4.48Å; L227-L302 HydrophobicContact CD1-CD1 4.05Å
228	T	96.6	Very high	96.7	Very high	11 Å²	11	36.7 Å²	36.7	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-28.6	178.3	53.7	0	0	0	0	113.2	V226 L304 L307 R308 W312	V226-T228 PolarHBondContact O-N 3.48Å; V226-T228 VanDerWaalsContact O-N 3.1Å; T228-L304 HydrophobicContact CG2-CD2 4.05Å; T228-L307 HydrophobicContact CG2-CB 3.82Å; T228-L307 HydrophobicContact CG2-CD1 4.16Å; T228-R308 PolarHBondContact O-NE 2.84Å; T228-W312 HydrophobicContact CG2-CB 4.33Å; T228-W312 HydrophobicContact CG2-CG 4.18Å
229	K	94.5	Very high	96.9	Very high	106 Å²	106	35.2 Å²	35.2	46%	0.461	19%	0.19	S	C	.	.	H	α-helix	trans	-88.9	-39.4	177	179.2	-178.3	179.3	176.9	0	111.3	E207 V226 L227	E207-K229 VanDerWaalsContact CD-NZ 3.29Å; E207-K229 IonicContact OE1-NZ 3.98Å; E207-K229 PolarHBondContact OE1-NZ 3.34Å; E207-K229 IonicContact OE2-NZ 2.65Å; V226-K229 WeakPolarHBondContact O-CA 3.12Å; V226-K229 WeakPolarHBondContact O-CB 3.36Å; V226-K229 PolarHBondContact O-N 3.2Å; L227-K229 PolarHBondContact O-N 2.74Å
230	T	97	Very high	97.1	Very high	23 Å²	23	33 Å²	33	14%	0.141	18%	0.179	C	C	.	.	H	α-helix	trans	-73.8	-44.6	-174.9	-56	0	0	0	0	113.2	I173 Y199 L204 V226 L227	I173-T230 HydrophobicContact CG1-CG2 4.28Å; Y199-T230 HydrophobicContact CD1-CG2 3.56Å; Y199-T230 WeakPolarHBondContact CD1-O 3.33Å; Y199-T230 HydrophobicContact CE1-CG2 4.46Å; Y199-T230 WeakPolarHBondContact CE1-O 3.37Å; Y199-T230 HydrophobicContact CG-CG2 3.71Å; L204-T230 HydrophobicContact CD1-CG2 3.64Å; L204-T230 WeakPolarHBondContact CD1-OG1 3.4Å; V226-T230 PolarHBondContact O-N 3.05Å; V226-T230 PolarHBondContact O-OG1 3.45Å; V226-T230 VanDerWaalsContact O-OG1 3.09Å; L227-T230 PolarHBondContact O-N 2.93Å
231	L	98.2	Very high	97.3	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	17%	0.169	C	C	.	.	S	Bend	trans	-76.2	155.4	-174.4	-63.4	177.2	0	0	0	112.2	A141 H171 Y199 L227 L235 V238 L304 R308	A141-L231 HydrophobicContact CB-CD1 4.15Å; H171-L231 HydrophobicContact CB-CD2 3.52Å; Y199-L231 HydrophobicContact CE2-CD2 4.09Å; L227-L231 HydrophobicContact CB-CD1 4.21Å; L227-L231 HydrophobicContact CD2-CD1 4.35Å; L227-L231 HydrophobicContact CD2-CG 4.4Å; L227-L231 WeakPolarHBondContact O-CB 3.38Å; L227-L231 WeakPolarHBondContact O-CG 3.42Å; L227-L231 PolarHBondContact O-N 3.16Å; L231-L235 HydrophobicContact CB-CD2 4.27Å; L231-L235 HydrophobicContact CD1-CD2 4.27Å; L231-V238 HydrophobicContact CD1-CB 4.43Å; L231-V238 HydrophobicContact CD1-CG1 3.92Å; L231-V238 HydrophobicContact CD1-CG2 4.3Å; L231-L304 HydrophobicContact CB-CD1 4.22Å; L231-L304 HydrophobicContact CD1-CD1 3.84Å; L231-L304 HydrophobicContact CD1-CD2 4.44Å; L231-R308 PolarHBondContact O-NH2 3.31Å
232	P	97.8	Very high	97.5	Very high	40 Å²	40	31.9 Å²	31.9	26%	0.26	17%	0.174	S	C	.	.			trans	-52.9	139.3	-173.2	-27.2	35.9	0	0	0	113.2	Y199 N234 L235 R308	Y199-P232 VanDerWaalsContact OH-CD 3.31Å; Y199-P232 WeakPolarHBondContact OH-CD 3.37Å; Y199-P232 WeakPolarHBondContact OH-CG 3.31Å; P232-N234 VanDerWaalsContact CB-OD1 3.31Å; P232-N234 WeakPolarHBondContact CB-OD1 3.2Å; P232-N234 PolarHBondContact O-N 3.04Å; P232-L235 HydrophobicContact CB-CB 4.32Å; P232-L235 WeakPolarHBondContact O-CB 3.43Å; P232-L235 PolarHBondContact O-N 2.88Å; P232-R308 PolarHBondContact O-NH1 3.11Å; P232-R308 PolarHBondContact O-NH2 3.17Å
233	A	95.9	Very high	97.4	Very high	94 Å²	94	33 Å²	33	78%	0.777	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.3	-173.5	0	0	0	0	0	113.5	R308	A233-R308 PolarHBondContact O-NH1 2.89Å
234	N	96	Very high	97.4	Very high	141 Å²	141	33.7 Å²	33.7	75%	0.754	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.1	176.4	65.2	-40	0	0	0	113.7	P232 E236	P232-N234 VanDerWaalsContact CB-OD1 3.31Å; P232-N234 WeakPolarHBondContact CB-OD1 3.2Å; P232-N234 PolarHBondContact O-N 3.04Å; N234-E236 PolarHBondContact O-N 3.08Å
235	L	97.9	Very high	97.3	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.079	18%	0.183	C	C	.	.			trans	-74.7	118.6	176.5	-176.3	63.1	0	0	0	109.8	H139 L231 P232 V238 L304 R308	H139-L235 HydrophobicContact CB-CD1 3.95Å; H139-L235 HydrophobicContact CB-CD2 4.42Å; H139-L235 VanDerWaalsContact CG-CD1 3.4Å; H139-L235 WeakPolarHBondContact ND1-CD1 3.12Å; L231-L235 HydrophobicContact CB-CD2 4.27Å; L231-L235 HydrophobicContact CD1-CD2 4.27Å; P232-L235 HydrophobicContact CB-CB 4.32Å; P232-L235 WeakPolarHBondContact O-CB 3.43Å; P232-L235 PolarHBondContact O-N 2.88Å; L235-V238 HydrophobicContact CD2-CB 4.3Å; L235-L304 HydrophobicContact CB-CD1 4.21Å; L235-L304 HydrophobicContact CD2-CD1 3.71Å; L235-L304 HydrophobicContact CG-CD1 3.8Å; L235-L304 WeakPolarHBondContact O-CB 3.5Å; L235-R308 PolarHBondContact O-NH1 2.96Å
236	E	97.7	Very high	97.3	Very high	131 Å²	131	33.3 Å²	33.3	61%	0.612	18%	0.183	S	C	*	.			trans	-87.2	-38.5	-174.1	-62.7	-173.1	169.5	0	0	113.6	N234 L303 L304 D305	N234-E236 PolarHBondContact O-N 3.08Å; E236-L303 CarbonylContact O-C 3.58Å; E236-L304 PolarHBondContact O-N 3.01Å; E236-D305 HydrophobicContact CB-CB 4.47Å; E236-D305 PolarHBondContact O-N 2.85Å
237	R	98.1	Very high	97.3	Very high	44 Å²	44	33.2 Å²	33.2	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.4	-175.1	65.1	-176.7	-177.1	-171	-3.7	111.9	E136 W255 F258 H259 L302 L303	E136-R237 IonicContact OE1-CZ 2.65Å; E136-R237 IonicContact OE1-NE 3.39Å; E136-R237 IonicContact OE1-NH2 3.46Å; E136-R237 PolarHBondContact OE1-NH2 2.64Å; E136-R237 IonicContact OE2-NH2 3.88Å; R237-W255 HydrophobicContact CG-CH2 3.55Å; R237-W255 HydrophobicContact CG-CZ2 3.63Å; R237-W255 HydrophobicContact CG-CZ3 4.22Å; R237-W255 VanDerWaalsContact NE-CZ2 3.33Å; R237-W255 WeakPolarHBondContact O-CH2 3.2Å; R237-F258 HydrophobicContact CB-CD1 4.32Å; R237-F258 HydrophobicContact CB-CD2 4.34Å; R237-F258 HydrophobicContact CB-CE1 3.97Å; R237-F258 HydrophobicContact CB-CE2 4Å; R237-F258 HydrophobicContact CB-CG 4.49Å; R237-F258 HydrophobicContact CB-CZ 3.8Å; R237-F258 HydrophobicContact CG-CD2 4.26Å; R237-F258 HydrophobicContact CG-CE2 4.2Å; R237-F258 HydrophobicContact CG-CZ 4.5Å; R237-H259 PolarHBondContact NH1-NE2 2.77Å; R237-L302 VanDerWaalsContact CA-O 3.23Å; R237-L302 WeakPolarHBondContact CA-O 3.4Å; R237-L303 HydrophobicContact CB-CD2 3.84Å
238	V	98.8	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	145.1	-178	69.1	0	0	0	0	111.4	H139 A141 L231 L235 V240 L302 L304	H139-V238 HydrophobicContact CB-CG2 4.13Å; H139-V238 WeakPolarHBondContact O-CG2 3.47Å; A141-V238 HydrophobicContact CB-CG2 3.7Å; L231-V238 HydrophobicContact CD1-CB 4.43Å; L231-V238 HydrophobicContact CD1-CG1 3.92Å; L231-V238 HydrophobicContact CD1-CG2 4.3Å; L235-V238 HydrophobicContact CD2-CB 4.3Å; V238-V240 HydrophobicContact CG1-CG2 4.27Å; V238-L302 HydrophobicContact CG1-CB 3.89Å; V238-L302 HydrophobicContact CG1-CD1 4.23Å; V238-L302 HydrophobicContact CG1-CG 4.48Å; V238-L302 PolarHBondContact N-O 2.62Å; V238-L302 PolarHBondContact O-N 3.18Å; V238-L304 HydrophobicContact CB-CD1 4.16Å; V238-L304 HydrophobicContact CG1-CD1 3.76Å; V238-L304 HydrophobicContact CG1-CD2 3.97Å; V238-L304 HydrophobicContact CG1-CG 3.89Å
239	I	98.9	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.7	167.4	-54.2	179.5	0	0	0	107.9	I138 H139 V140 A141 L241 I251 L254 W255 F258 I300 L301	I138-I239 HydrophobicContact CG2-CD1 4.14Å; H139-I239 PolarHBondContact O-N 2.95Å; V140-I239 CarbonylContact C-O 3.39Å; V140-I239 VanDerWaalsContact CA-O 3.27Å; V140-I239 WeakPolarHBondContact CA-O 3.31Å; A141-I239 PolarHBondContact N-O 2.96Å; I239-L241 HydrophobicContact CG2-CD2 3.76Å; I239-L241 HydrophobicContact CG2-CG 3.96Å; I239-I251 HydrophobicContact CD1-CD1 4Å; I239-I251 HydrophobicContact CD1-CG1 3.69Å; I239-L254 HydrophobicContact CD1-CB 4.35Å; I239-L254 HydrophobicContact CD1-CD2 4.2Å; I239-L254 HydrophobicContact CD1-CG 4.09Å; I239-L254 HydrophobicContact CG2-CD2 4Å; I239-W255 HydrophobicContact CD1-CB 4.27Å; I239-W255 HydrophobicContact CD1-CE3 3.82Å; I239-W255 HydrophobicContact CG1-CE3 3.66Å; I239-W255 HydrophobicContact CG1-CZ3 4.04Å; I239-F258 HydrophobicContact CG1-CE2 4.46Å; I239-I300 CarbonylContact C-O 3.56Å; I239-I300 WeakPolarHBondContact CA-O 3.35Å; I239-L301 HydrophobicContact CB-CD2 4.3Å; I239-L301 HydrophobicContact CD1-CD2 4.3Å; I239-L301 HydrophobicContact CG1-CD2 3.65Å; I239-L301 HydrophobicContact CG2-CD2 4.25Å
240	V	98.8	Very high	97.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.5	174	-166.6	0	0	0	0	109.3	A141 K224 L227 V238 V299 I300 L302	A141-V240 HydrophobicContact CB-CG2 4.37Å; A141-V240 WeakPolarHBondContact O-CA 3.24Å; K224-V240 HydrophobicContact CD-CG1 3.84Å; K224-V240 HydrophobicContact CG-CG1 4.3Å; L227-V240 HydrophobicContact CD1-CB 4.37Å; L227-V240 HydrophobicContact CD1-CG1 3.76Å; L227-V240 HydrophobicContact CD1-CG2 3.61Å; V238-V240 HydrophobicContact CG1-CG2 4.27Å; V240-V299 WeakPolarHBondContact O-CA 3.31Å; V240-I300 HydrophobicContact CB-CB 3.97Å; V240-I300 HydrophobicContact CB-CD1 4.38Å; V240-I300 HydrophobicContact CB-CG1 4.21Å; V240-I300 HydrophobicContact CG2-CB 4.26Å; V240-I300 PolarHBondContact N-O 3.12Å; V240-I300 PolarHBondContact O-N 3.49Å; V240-L302 HydrophobicContact CG2-CD1 3.44Å; V240-L302 VanDerWaalsContact CG2-CD1 3.44Å; V240-L302 HydrophobicContact CG2-CG 3.86Å
241	L	98.7	Very high	97.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.4	-177.4	-59.3	174.2	0	0	0	111.5	V140 A141 I142 L156 I239 F247 I251 G298 V299	V140-L241 HydrophobicContact CG1-CD1 3.59Å; V140-L241 HydrophobicContact CG1-CG 4.1Å; A141-L241 PolarHBondContact O-N 3.03Å; I142-L241 HydrophobicContact CG1-CB 4.47Å; L156-L241 HydrophobicContact CD1-CD1 4.26Å; L156-L241 HydrophobicContact CD2-CB 4.19Å; I239-L241 HydrophobicContact CG2-CD2 3.76Å; I239-L241 HydrophobicContact CG2-CG 3.96Å; L241-F247 HydrophobicContact CD1-CE2 3.66Å; L241-F247 HydrophobicContact CD1-CZ 4.01Å; L241-F247 HydrophobicContact CD2-CE2 3.97Å; L241-F247 HydrophobicContact CD2-CZ 3.99Å; L241-F247 HydrophobicContact CG-CE2 4.48Å; L241-I251 HydrophobicContact CD1-CD1 4.27Å; L241-G298 WeakPolarHBondContact CA-O 3.42Å; L241-V299 HydrophobicContact CD2-CB 4.43Å; L241-V299 HydrophobicContact CD2-CG1 4.13Å; L241-V299 HydrophobicContact CD2-CG2 4.03Å
242	D	97.4	Very high	97.2	Very high	41 Å²	41	29.5 Å²	29.5	22%	0.219	17%	0.172	C	C	.	.			trans	-73.2	153.8	163.3	-82.5	-20.4	0	0	0	111.1	L156 K224 D244 I245 G298 H380	L156-D242 WeakPolarHBondContact CD2-O 3.38Å; K224-D242 WeakPolarHBondContact CE-OD1 3.42Å; K224-D242 IonicContact NZ-OD1 3.34Å; K224-D242 PolarHBondContact NZ-OD1 2.8Å; K224-D242 IonicContact NZ-OD2 2.71Å; K224-D242 PolarHBondContact NZ-OD2 3.21Å; D242-D244 VanDerWaalsContact CB-OD1 3.3Å; D242-D244 WeakPolarHBondContact CB-OD1 3.4Å; D242-D244 PolarHBondContact O-N 3.1Å; D242-I245 HydrophobicContact CB-CG1 4.1Å; D242-I245 WeakPolarHBondContact O-CB 3.45Å; D242-I245 WeakPolarHBondContact O-CG1 3.41Å; D242-G298 PolarHBondContact N-O 2.63Å; D242-G298 WeakPolarHBondContact OD2-CA 3.28Å; D242-H380 IonicContact OD2-CE1 3.75Å; D242-H380 IonicContact OD2-NE2 3.29Å
243	T	96.4	Very high	97.2	Very high	26 Å²	26	30.8 Å²	30.8	16%	0.16	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.1	-175.8	58.1	0	0	0	0	114.2	I142 C144 V153	I142-T243 HydrophobicContact CG2-CG2 3.76Å; C144-T243 HydrophobicContact CB-CG2 4.28Å; V153-T243 HydrophobicContact CB-CG2 4.06Å; V153-T243 HydrophobicContact CG2-CG2 4.15Å
244	D	95.3	Very high	97.3	Very high	14 Å²	14	26.3 Å²	26.3	8%	0.075	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	28.8	-177.3	61.6	-11.1	0	0	0	112.8	D242 H380 W381 K386	D242-D244 VanDerWaalsContact CB-OD1 3.3Å; D242-D244 WeakPolarHBondContact CB-OD1 3.4Å; D242-D244 PolarHBondContact O-N 3.1Å; D244-H380 IonicContact OD1-CD2 3.58Å; D244-H380 PolarHBondContact OD1-CD2 3.26Å; D244-H380 VanDerWaalsContact OD1-CD2 3.3Å; D244-H380 IonicContact OD1-NE2 2.99Å; D244-H380 PolarHBondContact OD1-NE2 3.09Å; D244-W381 HydrophobicContact CB-CB 4.3Å; D244-W381 PolarHBondContact O-N 3.37Å; D244-K386 IonicContact OD2-NZ 2.67Å; D244-K386 PolarHBondContact OD2-NZ 3.22Å
245	I	96.5	Very high	97.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.9	174.6	-64.6	-71.6	0	0	0	110.6	L156 D242 F247 V299 V378 I379 H380	L156-I245 HydrophobicContact CD1-CB 3.8Å; L156-I245 HydrophobicContact CD1-CG2 3.83Å; L156-I245 WeakPolarHBondContact CD1-O 3.45Å; D242-I245 HydrophobicContact CB-CG1 4.1Å; D242-I245 WeakPolarHBondContact O-CB 3.45Å; D242-I245 WeakPolarHBondContact O-CG1 3.41Å; I245-F247 HydrophobicContact CG2-CD2 3.9Å; I245-F247 HydrophobicContact CG2-CE2 3.71Å; I245-V299 HydrophobicContact CD1-CG2 3.88Å; I245-V378 HydrophobicContact CD1-CG1 4.21Å; I245-V378 HydrophobicContact CG2-CG1 3.33Å; I245-I379 CarbonylContact C-O 3.55Å; I245-I379 WeakPolarHBondContact CA-O 3.3Å; I245-H380 HydrophobicContact CD1-CB 3.41Å; I245-H380 VanDerWaalsContact CD1-CB 3.41Å
246	T	97.1	Very high	97.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.7	170.9	-54.2	0	0	0	0	110	I379 L400 F404	T246-I379 PolarHBondContact N-O 3.32Å; T246-I379 PolarHBondContact O-N 3.37Å; T246-L400 HydrophobicContact CG2-CG 4.29Å; T246-F404 HydrophobicContact CG2-CD2 3.69Å; T246-F404 HydrophobicContact CG2-CE2 4.08Å
247	F	97.6	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.4	175.5	-84.1	-107.8	0	0	0	111.3	L156 S159 V160 L241 I245 I251 L254 V378	L156-F247 HydrophobicContact CD1-CD2 4.03Å; L156-F247 HydrophobicContact CD1-CE2 4.17Å; S159-F247 PolarHBondContact OG-N 2.88Å; V160-F247 HydrophobicContact CG2-CB 4.34Å; V160-F247 HydrophobicContact CG2-CD2 3.47Å; V160-F247 VanDerWaalsContact CG2-CD2 3.47Å; V160-F247 HydrophobicContact CG2-CE2 3.87Å; V160-F247 HydrophobicContact CG2-CG 3.87Å; L241-F247 HydrophobicContact CD1-CE2 3.66Å; L241-F247 HydrophobicContact CD1-CZ 4.01Å; L241-F247 HydrophobicContact CD2-CE2 3.97Å; L241-F247 HydrophobicContact CD2-CZ 3.99Å; L241-F247 HydrophobicContact CG-CE2 4.48Å; I245-F247 HydrophobicContact CG2-CD2 3.9Å; I245-F247 HydrophobicContact CG2-CE2 3.71Å; F247-I251 HydrophobicContact CD1-CB 4.27Å; F247-I251 HydrophobicContact CE1-CB 3.89Å; F247-I251 HydrophobicContact CE1-CD1 4.09Å; F247-I251 HydrophobicContact CE1-CG1 3.73Å; F247-I251 HydrophobicContact CZ-CD1 3.9Å; F247-I251 HydrophobicContact CZ-CG1 4.01Å; F247-L254 HydrophobicContact CE1-CD2 4.39Å; F247-L254 HydrophobicContact CZ-CD2 4.26Å; F247-V378 HydrophobicContact CD1-CG2 3.96Å; F247-V378 HydrophobicContact CE1-CG2 3.71Å; F247-V378 HydrophobicContact CE2-CG1 4.35Å; F247-V378 HydrophobicContact CE2-CG2 4.3Å; F247-V378 HydrophobicContact CG-CG2 4.36Å; F247-V378 HydrophobicContact CZ-CG2 3.9Å
248	A	96.1	Very high	97.3	Very high	30 Å²	30	11.8 Å²	11.8	25%	0.248	7%	0.069	C	C	.	.	S	Bend	trans	-118.6	4.4	172.9	0	0	0	0	0	112.4	K377 I379 L400	A248-K377 PolarHBondContact N-O 2.91Å; A248-I379 HydrophobicContact CB-CD1 4.22Å; A248-L400 HydrophobicContact CB-CD2 4.2Å
249	T	95.7	Very high	97.2	Very high	15 Å²	15	16.5 Å²	16.5	9%	0.092	9%	0.091	C	C	.	.	S	Bend	trans	-147.5	172.5	-175.5	-148.1	0	0	0	0	110.3	H163 I251 E253 W356 K377	H163-T249 VanDerWaalsContact CB-C 3.43Å; H163-T249 WeakPolarHBondContact CB-O 3.37Å; T249-I251 PolarHBondContact O-N 2.81Å; T249-E253 PolarHBondContact OG1-OE1 3.12Å; T249-W356 HydrophobicContact CG2-CH2 3.8Å; T249-W356 HydrophobicContact CG2-CZ3 3.74Å; T249-K377 HydrophobicContact CG2-CB 3.91Å; T249-K377 HydrophobicContact CG2-CD 3.3Å; T249-K377 HydrophobicContact CG2-CG 4.2Å; T249-K377 PolarHBondContact OG1-NZ 3.25Å
250	D	96.1	Very high	97.1	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.08	11%	0.108	C	C	.	.			trans	-67	130	173.2	-168	-10.4	0	0	0	111.4	H163 R165 A252 E253	H163-D250 WeakPolarHBondContact O-CB 3.48Å; R165-D250 VanDerWaalsContact CB-OD2 3.25Å; R165-D250 WeakPolarHBondContact CB-OD2 3.46Å; R165-D250 VanDerWaalsContact CD-OD2 3.27Å; R165-D250 WeakPolarHBondContact CD-OD2 3.39Å; R165-D250 WeakPolarHBondContact CG-OD2 3.48Å; R165-D250 PolarHBondContact N-OD2 3.06Å; D250-A252 PolarHBondContact O-N 3.23Å; D250-A252 WeakPolarHBondContact OD1-CB 3.31Å; D250-A252 PolarHBondContact OD1-N 3.22Å; D250-E253 WeakPolarHBondContact O-CB 3.43Å; D250-E253 PolarHBondContact O-N 3.5Å
251	I	97.6	Very high	97	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-21.5	176.8	-167.7	166.8	0	0	0	112.4	I138 V140 V160 L168 I239 L241 F247 T249 E253 L254 W255	I138-I251 HydrophobicContact CD1-CG2 4.01Å; I138-I251 HydrophobicContact CG2-CG2 4.42Å; V140-I251 HydrophobicContact CG2-CD1 3.73Å; V160-I251 HydrophobicContact CG1-CB 4.3Å; V160-I251 HydrophobicContact CG1-CD1 4.08Å; V160-I251 HydrophobicContact CG1-CG2 3.99Å; V160-I251 HydrophobicContact CG2-CD1 4.49Å; L168-I251 HydrophobicContact CD2-CG2 3.95Å; I239-I251 HydrophobicContact CD1-CD1 4Å; I239-I251 HydrophobicContact CD1-CG1 3.69Å; L241-I251 HydrophobicContact CD1-CD1 4.27Å; F247-I251 HydrophobicContact CD1-CB 4.27Å; F247-I251 HydrophobicContact CE1-CB 3.89Å; F247-I251 HydrophobicContact CE1-CD1 4.09Å; F247-I251 HydrophobicContact CE1-CG1 3.73Å; F247-I251 HydrophobicContact CZ-CD1 3.9Å; F247-I251 HydrophobicContact CZ-CG1 4.01Å; T249-I251 PolarHBondContact O-N 2.81Å; I251-E253 PolarHBondContact O-N 3.27Å; I251-L254 WeakPolarHBondContact O-CB 3.4Å; I251-L254 PolarHBondContact O-N 2.94Å; I251-W255 PolarHBondContact O-N 3.13Å
252	A	97.2	Very high	96.8	Very high	8 Å²	8	29.2 Å²	29.2	7%	0.066	15%	0.146	C	C	.	.	H	α-helix	trans	-58.2	-33.8	173.4	0	0	0	0	0	112.6	V132 I138 N166 D250 L254 W255 A256	V132-A252 HydrophobicContact CB-CB 4.33Å; V132-A252 HydrophobicContact CG2-CB 4.23Å; V132-A252 VanDerWaalsContact CG2-O 3.28Å; V132-A252 WeakPolarHBondContact CG2-O 3.46Å; I138-A252 VanDerWaalsContact CD1-CA 3.49Å; I138-A252 HydrophobicContact CD1-CB 3.71Å; N166-A252 WeakPolarHBondContact OD1-CB 3.43Å; D250-A252 PolarHBondContact O-N 3.23Å; D250-A252 WeakPolarHBondContact OD1-CB 3.31Å; D250-A252 PolarHBondContact OD1-N 3.22Å; A252-L254 VanDerWaalsContact C-N 3.29Å; A252-L254 PolarHBondContact O-N 2.91Å; A252-W255 WeakPolarHBondContact O-CB 3.39Å; A252-W255 PolarHBondContact O-N 3.44Å; A252-A256 PolarHBondContact O-N 2.87Å
253	E	96.8	Very high	96.6	Very high	67 Å²	67	30.6 Å²	30.6	31%	0.313	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-35.5	175.6	-72.2	178	-115.1	0	0	112.1	T249 D250 I251 W356 K377	T249-E253 PolarHBondContact OG1-OE1 3.12Å; D250-E253 WeakPolarHBondContact O-CB 3.43Å; D250-E253 PolarHBondContact O-N 3.5Å; I251-E253 PolarHBondContact O-N 3.27Å; E253-W356 HydrophobicContact CB-CH2 3.6Å; E253-W356 HydrophobicContact CB-CZ2 3.99Å; E253-K377 IonicContact OE1-NZ 2.98Å; E253-K377 PolarHBondContact OE1-NZ 2.96Å; E253-K377 IonicContact OE2-NZ 2.89Å; E253-K377 PolarHBondContact OE2-NZ 3.48Å
254	L	97.6	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-72.7	-41.4	174.5	-179	54	0	0	0	110.7	I239 F247 I251 A252 A256 V257 V299 L301 L352 W356	I239-L254 HydrophobicContact CD1-CB 4.35Å; I239-L254 HydrophobicContact CD1-CD2 4.2Å; I239-L254 HydrophobicContact CD1-CG 4.09Å; I239-L254 HydrophobicContact CG2-CD2 4Å; F247-L254 HydrophobicContact CE1-CD2 4.39Å; F247-L254 HydrophobicContact CZ-CD2 4.26Å; I251-L254 WeakPolarHBondContact O-CB 3.4Å; I251-L254 PolarHBondContact O-N 2.94Å; A252-L254 VanDerWaalsContact C-N 3.29Å; A252-L254 PolarHBondContact O-N 2.91Å; L254-A256 VanDerWaalsContact C-N 3.3Å; L254-A256 PolarHBondContact O-N 3.31Å; L254-V257 HydrophobicContact CD1-CG2 4.48Å; L254-V257 VanDerWaalsContact O-CB 3.23Å; L254-V257 WeakPolarHBondContact O-CB 3.1Å; L254-V257 WeakPolarHBondContact O-CG2 3.16Å; L254-V257 PolarHBondContact O-N 3.35Å; L254-V257 VanDerWaalsContact O-N 3.09Å; L254-V299 HydrophobicContact CD2-CG1 3.8Å; L254-L301 HydrophobicContact CD1-CD1 4.14Å; L254-L301 HydrophobicContact CD1-CD2 4.1Å; L254-L301 HydrophobicContact CD1-CG 4.32Å; L254-L301 HydrophobicContact CG-CD2 4.01Å; L254-L352 HydrophobicContact CD1-CD1 4.47Å; L254-W356 HydrophobicContact CB-CD2 4.41Å; L254-W356 HydrophobicContact CB-CE3 3.84Å; L254-W356 HydrophobicContact CB-CH2 3.84Å; L254-W356 HydrophobicContact CB-CZ2 4.35Å; L254-W356 HydrophobicContact CB-CZ3 3.55Å; L254-W356 HydrophobicContact CD1-CB 4.47Å; L254-W356 HydrophobicContact CD1-CD2 3.76Å; L254-W356 HydrophobicContact CD1-CE3 3.83Å; L254-W356 HydrophobicContact CD1-CG 4.06Å; L254-W356 HydrophobicContact CD1-CZ3 4.42Å; L254-W356 HydrophobicContact CD2-CE3 4.12Å; L254-W356 HydrophobicContact CD2-CZ3 4.47Å; L254-W356 HydrophobicContact CG-CE3 4.12Å; L254-W356 HydrophobicContact CG-CZ3 4.33Å
255	W	98.3	Very high	96.7	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-41.2	175.7	-172.5	-107.8	0	0	0	112.2	V132 E136 I138 H139 R237 I239 I251 A252 V257 F258	V132-W255 HydrophobicContact CG2-CB 4.42Å; E136-W255 PolarHBondContact OE1-NE1 3.48Å; I138-W255 HydrophobicContact CB-CD2 4.45Å; I138-W255 HydrophobicContact CD1-CB 4.22Å; I138-W255 HydrophobicContact CD1-CG 4.45Å; I138-W255 HydrophobicContact CG1-CB 4.32Å; I138-W255 HydrophobicContact CG1-CD2 4.27Å; I138-W255 HydrophobicContact CG1-CG 4.04Å; I138-W255 HydrophobicContact CG2-CB 4.34Å; I138-W255 HydrophobicContact CG2-CD2 3.99Å; I138-W255 HydrophobicContact CG2-CE3 3.75Å; I138-W255 HydrophobicContact CG2-CG 4.29Å; I138-W255 HydrophobicContact CG2-CZ3 4.22Å; H139-W255 HydrophobicContact CB-CH2 3.97Å; H139-W255 HydrophobicContact CB-CZ3 4.34Å; H139-W255 WeakPolarHBondContact O-CZ3 3.34Å; R237-W255 HydrophobicContact CG-CH2 3.55Å; R237-W255 HydrophobicContact CG-CZ2 3.63Å; R237-W255 HydrophobicContact CG-CZ3 4.22Å; R237-W255 VanDerWaalsContact NE-CZ2 3.33Å; R237-W255 WeakPolarHBondContact O-CH2 3.2Å; I239-W255 HydrophobicContact CD1-CB 4.27Å; I239-W255 HydrophobicContact CD1-CE3 3.82Å; I239-W255 HydrophobicContact CG1-CE3 3.66Å; I239-W255 HydrophobicContact CG1-CZ3 4.04Å; I251-W255 PolarHBondContact O-N 3.13Å; A252-W255 WeakPolarHBondContact O-CB 3.39Å; A252-W255 PolarHBondContact O-N 3.44Å; W255-V257 PolarHBondContact O-N 3.03Å; W255-F258 HydrophobicContact CD2-CD2 4.26Å; W255-F258 HydrophobicContact CD2-CE2 4.37Å; W255-F258 HydrophobicContact CE3-CD2 4.07Å; W255-F258 AromaticContact CE3-CE2 3.73Å; W255-F258 HydrophobicContact CE3-CE2 3.73Å; W255-F258 AromaticContact CZ3-CE2 3.9Å; W255-F258 HydrophobicContact CZ3-CE2 3.9Å; W255-F258 WeakPolarHBondContact O-CD2 3.4Å; W255-F258 PolarHBondContact O-N 2.88Å; W255-F258 VanDerWaalsContact O-N 3.16Å
256	A	97.5	Very high	96.8	Very high	10 Å²	10	36.2 Å²	36.2	8%	0.083	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.5	-23.7	177.3	0	0	0	0	0	113.4	P130 V132 A252 L254 F258 H259	P130-A256 WeakPolarHBondContact O-CB 3.45Å; V132-A256 HydrophobicContact CG2-CB 3.87Å; A252-A256 PolarHBondContact O-N 2.87Å; L254-A256 VanDerWaalsContact C-N 3.3Å; L254-A256 PolarHBondContact O-N 3.31Å; A256-F258 PolarHBondContact O-N 3.45Å; A256-H259 WeakPolarHBondContact O-CB 3.04Å; A256-H259 PolarHBondContact O-N 3.35Å; A256-H259 VanDerWaalsContact O-N 3.14Å; A256-H259 PolarHBondContact O-ND1 3.39Å; A256-H259 VanDerWaalsContact O-ND1 3.07Å
257	V	97.6	Very high	96.9	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.7	-179.6	-177.6	0	0	0	0	112.4	L254 W255 H259 K260 F261 L301 Y350 L352	L254-V257 HydrophobicContact CD1-CG2 4.48Å; L254-V257 VanDerWaalsContact O-CB 3.23Å; L254-V257 WeakPolarHBondContact O-CB 3.1Å; L254-V257 WeakPolarHBondContact O-CG2 3.16Å; L254-V257 PolarHBondContact O-N 3.35Å; L254-V257 VanDerWaalsContact O-N 3.09Å; W255-V257 PolarHBondContact O-N 3.03Å; V257-H259 PolarHBondContact O-N 2.89Å; V257-H259 VanDerWaalsContact O-N 3.17Å; V257-K260 HydrophobicContact CG1-CD 4.38Å; V257-K260 VanDerWaalsContact O-CB 3.31Å; V257-K260 WeakPolarHBondContact O-CB 2.97Å; V257-K260 PolarHBondContact O-N 3.26Å; V257-F261 HydrophobicContact CG1-CE1 4.41Å; V257-L301 HydrophobicContact CB-CD1 3.85Å; V257-L301 HydrophobicContact CG1-CD1 3.99Å; V257-Y350 HydrophobicContact CG1-CD1 4.11Å; V257-Y350 HydrophobicContact CG1-CE1 3.57Å; V257-L352 HydrophobicContact CB-CD2 4.44Å; V257-L352 HydrophobicContact CG1-CD2 3.56Å
258	F	97.6	Very high	96.9	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.039	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.9	-33.8	172.7	-81.1	-66.6	0	0	0	112.9	R237 I239 W255 A256 K260 F261 L301 L303	R237-F258 HydrophobicContact CB-CD1 4.32Å; R237-F258 HydrophobicContact CB-CD2 4.34Å; R237-F258 HydrophobicContact CB-CE1 3.97Å; R237-F258 HydrophobicContact CB-CE2 4Å; R237-F258 HydrophobicContact CB-CG 4.49Å; R237-F258 HydrophobicContact CB-CZ 3.8Å; R237-F258 HydrophobicContact CG-CD2 4.26Å; R237-F258 HydrophobicContact CG-CE2 4.2Å; R237-F258 HydrophobicContact CG-CZ 4.5Å; I239-F258 HydrophobicContact CG1-CE2 4.46Å; W255-F258 HydrophobicContact CD2-CD2 4.26Å; W255-F258 HydrophobicContact CD2-CE2 4.37Å; W255-F258 HydrophobicContact CE3-CD2 4.07Å; W255-F258 AromaticContact CE3-CE2 3.73Å; W255-F258 HydrophobicContact CE3-CE2 3.73Å; W255-F258 AromaticContact CZ3-CE2 3.9Å; W255-F258 HydrophobicContact CZ3-CE2 3.9Å; W255-F258 WeakPolarHBondContact O-CD2 3.4Å; W255-F258 PolarHBondContact O-N 2.88Å; W255-F258 VanDerWaalsContact O-N 3.16Å; A256-F258 PolarHBondContact O-N 3.45Å; F258-K260 PolarHBondContact O-N 3.13Å; F258-F261 HydrophobicContact CD1-CE2 4.24Å; F258-F261 HydrophobicContact CD1-CZ 4.24Å; F258-F261 HydrophobicContact CE1-CE2 4.41Å; F258-F261 HydrophobicContact CE1-CZ 4.45Å; F258-F261 WeakPolarHBondContact O-CB 3.45Å; F258-F261 PolarHBondContact O-N 3.37Å; F258-F261 VanDerWaalsContact O-N 3.16Å; F258-L301 HydrophobicContact CD1-CB 4.36Å; F258-L301 HydrophobicContact CE1-CB 3.67Å; F258-L301 HydrophobicContact CE2-CB 4.31Å; F258-L301 HydrophobicContact CE2-CD2 3.84Å; F258-L301 HydrophobicContact CE2-CG 4.5Å; F258-L301 HydrophobicContact CZ-CB 3.63Å; F258-L301 HydrophobicContact CZ-CD2 3.95Å; F258-L301 HydrophobicContact CZ-CG 4.29Å; F258-L303 HydrophobicContact CD1-CD2 3.38Å; F258-L303 HydrophobicContact CD1-CG 3.91Å; F258-L303 HydrophobicContact CE1-CD2 3.64Å; F258-L303 HydrophobicContact CE1-CG 3.97Å; F258-L303 HydrophobicContact CG-CD2 4.3Å
259	H	95.9	Very high	97	Very high	99 Å²	99	34.8 Å²	34.8	46%	0.458	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67.6	-14.8	177.1	-57.5	100.1	0	0	0	113.5	P130 R237 A256 V257	P130-H259 HydrophobicContact CB-CB 4.11Å; P130-H259 HydrophobicContact CG-CB 4.03Å; R237-H259 PolarHBondContact NH1-NE2 2.77Å; A256-H259 WeakPolarHBondContact O-CB 3.04Å; A256-H259 PolarHBondContact O-N 3.35Å; A256-H259 VanDerWaalsContact O-N 3.14Å; A256-H259 PolarHBondContact O-ND1 3.39Å; A256-H259 VanDerWaalsContact O-ND1 3.07Å; V257-H259 PolarHBondContact O-N 2.89Å; V257-H259 VanDerWaalsContact O-N 3.17Å
260	K	96.5	Very high	97.1	Very high	86 Å²	86	34.1 Å²	34.1	37%	0.374	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-86.7	-10.4	177.4	-57.4	-176	-178.5	174.4	0	112.8	V257 F258 Y350	V257-K260 HydrophobicContact CG1-CD 4.38Å; V257-K260 VanDerWaalsContact O-CB 3.31Å; V257-K260 WeakPolarHBondContact O-CB 2.97Å; V257-K260 PolarHBondContact O-N 3.26Å; F258-K260 PolarHBondContact O-N 3.13Å; K260-Y350 HydrophobicContact CB-CE2 3.87Å; K260-Y350 WeakPolarHBondContact CD-OH 3.27Å
261	F	97.1	Very high	97.2	Very high	20 Å²	20	36 Å²	36	9%	0.088	19%	0.186	C	C	.	.			trans	-69.9	132.3	179	-75.6	30.6	0	0	0	109.3	V257 F258 Q265 G268 L301 L303 Y350	V257-F261 HydrophobicContact CG1-CE1 4.41Å; F258-F261 HydrophobicContact CD1-CE2 4.24Å; F258-F261 HydrophobicContact CD1-CZ 4.24Å; F258-F261 HydrophobicContact CE1-CE2 4.41Å; F258-F261 HydrophobicContact CE1-CZ 4.45Å; F258-F261 WeakPolarHBondContact O-CB 3.45Å; F258-F261 PolarHBondContact O-N 3.37Å; F258-F261 VanDerWaalsContact O-N 3.16Å; F261-Q265 HydrophobicContact CB-CB 4.18Å; F261-Q265 HydrophobicContact CD2-CB 4.11Å; F261-Q265 HydrophobicContact CG-CB 4.27Å; F261-G268 VanDerWaalsContact CZ-CA 3.49Å; F261-L301 HydrophobicContact CE1-CD1 4.14Å; F261-L301 HydrophobicContact CZ-CB 3.83Å; F261-L301 HydrophobicContact CZ-CD1 4.18Å; F261-L303 HydrophobicContact CB-CD1 4.45Å; F261-L303 HydrophobicContact CD2-CD1 3.64Å; F261-L303 HydrophobicContact CD2-CG 4.06Å; F261-L303 HydrophobicContact CE2-CD1 4.31Å; F261-L303 HydrophobicContact CE2-CG 4.24Å; F261-L303 HydrophobicContact CG-CD1 4.45Å; F261-Y350 HydrophobicContact CD1-CD1 4.05Å; F261-Y350 HydrophobicContact CD1-CD2 4.08Å; F261-Y350 AromaticContact CD1-CG 3.66Å; F261-Y350 HydrophobicContact CD1-CG 3.66Å; F261-Y350 AromaticContact CE1-CD1 3.69Å; F261-Y350 HydrophobicContact CE1-CD1 3.69Å; F261-Y350 AromaticContact CE1-CG 3.66Å; F261-Y350 HydrophobicContact CE1-CG 3.66Å
262	K	94.4	Very high	97.1	Very high	163 Å²	163	36.2 Å²	36.2	71%	0.709	19%	0.187	S	C	*	.			trans	-125.4	152.9	-179.4	-63	-176.8	-177.6	-176.7	0	110.6	Q264 Q265	K262-Q264 PolarHBondContact O-N 3.34Å; K262-Q265 WeakPolarHBondContact O-CB 3.44Å; K262-Q265 VanDerWaalsContact O-CG 3.28Å; K262-Q265 WeakPolarHBondContact O-CG 3.48Å; K262-Q265 PolarHBondContact O-N 3.44Å; K262-Q265 PolarHBondContact O-OE1 2.99Å
263	G	94.1	Very high	96.9	Very high	70 Å²	70	36.5 Å²	36.5	72%	0.722	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	-125.5	177.1	0	0	0	0	0	113	Q265	G263-Q265 VanDerWaalsContact C-N 3.35Å
264	Q	95.1	Very high	96.7	Very high	117 Å²	117	34 Å²	34	55%	0.547	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	10.6	-177	-66.7	-179.4	-36.2	0	0	113.7	K262 V266 F347	K262-Q264 PolarHBondContact O-N 3.34Å; Q264-V266 PolarHBondContact O-N 2.89Å; Q264-F347 HydrophobicContact CB-CD2 3.83Å; Q264-F347 HydrophobicContact CB-CE2 4.37Å
265	Q	98.3	Very high	96.4	Very high	42 Å²	42	35.5 Å²	35.5	20%	0.196	19%	0.185	C	C	.	.			trans	-65.5	128.5	176.4	-68.2	174.4	-34.4	0	0	110.5	F261 K262 G263 L348 V349	F261-Q265 HydrophobicContact CB-CB 4.18Å; F261-Q265 HydrophobicContact CD2-CB 4.11Å; F261-Q265 HydrophobicContact CG-CB 4.27Å; K262-Q265 WeakPolarHBondContact O-CB 3.44Å; K262-Q265 VanDerWaalsContact O-CG 3.28Å; K262-Q265 WeakPolarHBondContact O-CG 3.48Å; K262-Q265 PolarHBondContact O-N 3.44Å; K262-Q265 PolarHBondContact O-OE1 2.99Å; G263-Q265 VanDerWaalsContact C-N 3.35Å; Q265-L348 WeakPolarHBondContact CA-O 3.43Å; Q265-V349 PolarHBondContact NE2-O 2.98Å; Q265-V349 VanDerWaalsContact NE2-O 3.07Å
266	V	98.3	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.			trans	-136.2	-13.5	-177.6	-65.3	0	0	0	0	113.3	Q264 L303 K306 L307 M310 L348	Q264-V266 PolarHBondContact O-N 2.89Å; V266-L303 HydrophobicContact CB-CB 4.4Å; V266-L303 PolarHBondContact O-N 3.05Å; V266-K306 HydrophobicContact CG1-CB 3.47Å; V266-K306 VanDerWaalsContact CG1-CB 3.47Å; V266-K306 HydrophobicContact CG1-CD 3.9Å; V266-K306 HydrophobicContact CG1-CG 4.35Å; V266-L307 HydrophobicContact CB-CD2 4.08Å; V266-L307 HydrophobicContact CB-CG 4.08Å; V266-L307 HydrophobicContact CG2-CD2 3.61Å; V266-L307 HydrophobicContact CG2-CG 4.18Å; V266-M310 HydrophobicContact CG1-SD 3.97Å; V266-M310 HydrophobicContact CG2-SD 4.41Å; V266-L348 HydrophobicContact CG2-CB 4.05Å; V266-L348 HydrophobicContact CG2-CD2 3.89Å; V266-L348 HydrophobicContact CG2-CG 4.44Å; V266-L348 PolarHBondContact N-O 3.34Å
267	L	98.5	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.2	176.9	-58.3	176.1	0	0	0	109.9	L269 L301 L302 L307 W312 F338 I342 L348 V349 Y350	L267-L269 HydrophobicContact CB-CD1 4.29Å; L267-L301 CarbonylContact C-O 3.44Å; L267-L301 WeakPolarHBondContact CA-O 3.26Å; L267-L302 HydrophobicContact CD2-CD2 3.3Å; L267-L307 HydrophobicContact CD2-CD1 4.11Å; L267-L307 HydrophobicContact CD2-CD2 4.1Å; L267-W312 HydrophobicContact CD1-CH2 4.1Å; L267-W312 HydrophobicContact CD1-CZ3 4.16Å; L267-F338 HydrophobicContact CD1-CD1 4.16Å; L267-F338 HydrophobicContact CD1-CE1 4.37Å; L267-F338 HydrophobicContact CD2-CE1 4.04Å; L267-I342 HydrophobicContact CD1-CD1 4.16Å; L267-I342 HydrophobicContact CD1-CG1 4.09Å; L267-L348 PolarHBondContact N-O 3.34Å; L267-V349 HydrophobicContact CB-CG2 4.41Å; L267-V349 CarbonylContact O-C 3.06Å; L267-V349 WeakPolarHBondContact O-CA 3.43Å; L267-Y350 PolarHBondContact O-N 3.09Å
268	G	98.6	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.2	166.5	0	0	0	0	0	110.2	F261 I300 L301 Y350	F261-G268 VanDerWaalsContact CZ-CA 3.49Å; G268-I300 WeakPolarHBondContact O-CA 3.31Å; G268-L301 PolarHBondContact N-O 2.9Å; G268-L301 PolarHBondContact O-N 2.87Å; G268-Y350 WeakPolarHBondContact CA-O 3.31Å
269	L	98.5	Very high	95.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.1	-173.9	-71.6	161.6	0	0	0	111.1	L267 Y295 N296 I300 I342 Y350 L352	L267-L269 HydrophobicContact CB-CD1 4.29Å; L269-Y295 HydrophobicContact CB-CD1 3.67Å; L269-Y295 HydrophobicContact CB-CG 3.97Å; L269-Y295 HydrophobicContact CD1-CG 4.32Å; L269-N296 WeakPolarHBondContact CD2-O 3.29Å; L269-I300 HydrophobicContact CD2-CB 4.01Å; L269-I300 HydrophobicContact CD2-CD1 4.39Å; L269-I300 HydrophobicContact CD2-CG1 3.72Å; L269-I300 HydrophobicContact CD2-CG2 3.68Å; L269-I300 HydrophobicContact CG-CG2 4.16Å; L269-I342 HydrophobicContact CD1-CD1 3.57Å; L269-Y350 PolarHBondContact N-O 3.13Å; L269-L352 PolarHBondContact O-N 3.19Å
270	V	97.9	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.5	172.9	172.5	0	0	0	0	109.9	N272 Y295 N296 L352 C354 W356 N357	V270-N272 PolarHBondContact O-N 3.42Å; V270-Y295 WeakPolarHBondContact O-CA 3.22Å; V270-N296 PolarHBondContact O-N 3.43Å; V270-L352 HydrophobicContact CG2-CB 3.5Å; V270-L352 HydrophobicContact CG2-CD1 4.21Å; V270-L352 HydrophobicContact CG2-CG 4.49Å; V270-C354 HydrophobicContact CG1-CB 3.8Å; V270-W356 HydrophobicContact CG2-CB 4.16Å; V270-N357 HydrophobicContact CB-CB 3.71Å; V270-N357 HydrophobicContact CG1-CB 4.04Å; V270-N357 HydrophobicContact CG2-CB 3.57Å
271	E	97.3	Very high	93.2	Very high	55 Å²	55	41.2 Å²	41.2	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	136.7	173.2	-170.7	-173.9	-115.4	0	0	109.8	Q273 R293 G294 Q359	E271-Q273 PolarHBondContact O-N 3.04Å; E271-R293 HydrophobicContact CG-CB 3.94Å; E271-R293 IonicContact OE2-NH1 3.8Å; E271-R293 PolarHBondContact OE2-NH1 3.44Å; E271-R293 VanDerWaalsContact OE2-NH1 3.09Å; E271-G294 CarbonylContact C-O 3.52Å; E271-G294 WeakPolarHBondContact CA-O 3.13Å; E271-G294 WeakPolarHBondContact CG-O 3.23Å; E271-Q359 PolarHBondContact O-NE2 3.44Å; E271-Q359 VanDerWaalsContact O-NE2 3.1Å
272	N	95.3	Very high	92.4	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.8	128.6	176	178.3	70.1	0	0	0	109.9	V270 S274 R293 G294 Q359	V270-N272 PolarHBondContact O-N 3.42Å; N272-S274 PolarHBondContact ND2-N 3.05Å; N272-S274 PolarHBondContact ND2-O 3.24Å; N272-S274 PolarHBondContact ND2-OG 3.47Å; N272-S274 PolarHBondContact O-N 2.92Å; N272-R293 WeakPolarHBondContact CB-O 3.15Å; N272-R293 WeakPolarHBondContact O-CB 3.4Å; N272-R293 WeakPolarHBondContact O-CD 3.16Å; N272-G294 WeakPolarHBondContact CB-O 3.43Å; N272-G294 PolarHBondContact N-O 3.41Å; N272-Q359 PolarHBondContact OD1-OE1 3.02Å
273	Q	94	Very high	91.4	Very high	14 Å²	14	47.9 Å²	47.9	7%	0.065	25%	0.247	C	C	.	.	S	Bend	trans	-87	12.6	-171.6	-66.4	174.3	7.4	0	0	113.2	E271 N357 Q359 T364 R365 C369	E271-Q273 PolarHBondContact O-N 3.04Å; Q273-N357 PolarHBondContact NE2-O 3.31Å; Q273-N357 VanDerWaalsContact NE2-O 3.12Å; Q273-Q359 HydrophobicContact CB-CB 4.3Å; Q273-Q359 HydrophobicContact CG-CB 4.49Å; Q273-Q359 VanDerWaalsContact OE1-N 3.1Å; Q273-T364 HydrophobicContact CB-CG2 4.18Å; Q273-T364 CarbonylContact O-C 3.53Å; Q273-T364 VanDerWaalsContact O-CA 3.31Å; Q273-T364 WeakPolarHBondContact O-CA 3.38Å; Q273-R365 PolarHBondContact O-N 3.19Å; Q273-C369 PolarHBondContact NE2-SG 3.3Å
274	S	91.2	Very high	90.7	Very high	14 Å²	14	52.4 Å²	52.4	10%	0.098	25%	0.254	C	S	.	.	S	Bend	trans	-123.5	160.9	174.1	73.9	0	0	0	0	111.1	N272 W276 H363	N272-S274 PolarHBondContact ND2-N 3.05Å; N272-S274 PolarHBondContact ND2-O 3.24Å; N272-S274 PolarHBondContact ND2-OG 3.47Å; N272-S274 PolarHBondContact O-N 2.92Å; S274-W276 PolarHBondContact O-N 3.34Å; S274-W276 VanDerWaalsContact O-N 3.12Å; S274-H363 WeakPolarHBondContact CB-O 3.49Å
275	D	92.2	Very high	90.1	Very high	33 Å²	33	48 Å²	48	18%	0.176	23%	0.234	C	C	.	.	S	Bend	trans	-82.8	23.4	178.4	-62.8	-30.9	0	0	0	112.6	Y277 L278 R293 R365	D275-Y277 PolarHBondContact O-N 3.44Å; D275-L278 HydrophobicContact CB-CB 4.32Å; D275-L278 HydrophobicContact CB-CD1 4.03Å; D275-L278 HydrophobicContact CB-CG 4.42Å; D275-L278 PolarHBondContact O-N 2.83Å; D275-L278 VanDerWaalsContact O-N 3.1Å; D275-L278 WeakPolarHBondContact OD1-CD1 3.35Å; D275-R293 IonicContact OD1-CZ 3.68Å; D275-R293 IonicContact OD1-NE 2.64Å; D275-R293 PolarHBondContact OD1-NE 3.43Å; D275-R365 IonicContact OD1-CZ 3.97Å; D275-R365 IonicContact OD1-NH2 2.96Å; D275-R365 PolarHBondContact OD1-NH2 2.81Å; D275-R365 IonicContact OD2-CZ 3.98Å; D275-R365 IonicContact OD2-NE 3.67Å; D275-R365 IonicContact OD2-NH2 3.84Å; D275-R365 PolarHBondContact OD2-NH2 3.25Å
276	W	91.9	Very high	89.7	Confident	49 Å²	49	54.6 Å²	54.6	19%	0.186	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-51.9	-51.3	-177.7	177.3	-86.5	0	0	0	112.9	S274 L278 G279 L281 W282 H285 P287 L332	S274-W276 PolarHBondContact O-N 3.34Å; S274-W276 VanDerWaalsContact O-N 3.12Å; W276-L278 VanDerWaalsContact C-N 3.3Å; W276-L278 PolarHBondContact O-N 3.45Å; W276-G279 PolarHBondContact O-N 3.24Å; W276-L281 VanDerWaalsContact CA-CD1 3.44Å; W276-L281 HydrophobicContact CB-CD1 3.95Å; W276-L281 HydrophobicContact CD2-CD1 4.38Å; W276-L281 HydrophobicContact CE3-CD1 3.84Å; W276-L281 HydrophobicContact CG-CD1 4.5Å; W276-W282 AromaticContact CE3-CH2 3.83Å; W276-W282 HydrophobicContact CE3-CH2 3.83Å; W276-W282 HydrophobicContact CH2-CH2 4.04Å; W276-W282 HydrophobicContact CH2-CZ2 4.28Å; W276-W282 AromaticContact CZ3-CH2 3.42Å; W276-W282 HydrophobicContact CZ3-CH2 3.42Å; W276-W282 VanDerWaalsContact CZ3-CH2 3.42Å; W276-W282 HydrophobicContact CZ3-CZ2 4.1Å; W276-W282 HydrophobicContact CZ3-CZ3 4.44Å; W276-H285 AromaticContact CD2-NE2 3.86Å; W276-H285 AromaticContact CE2-CE1 3.8Å; W276-H285 AromaticContact CE2-NE2 3.91Å; W276-H285 AromaticContact CZ2-CE1 3.82Å; W276-H285 PolarHBondContact O-CD2 3.35Å; W276-H285 VanDerWaalsContact O-CD2 3.31Å; W276-H285 PolarHBondContact O-NE2 2.67Å; W276-P287 WeakPolarHBondContact O-CB 3.42Å; W276-L332 HydrophobicContact CD2-CD1 3.9Å; W276-L332 HydrophobicContact CG-CD1 3.96Å; W276-L332 HydrophobicContact CH2-CD2 4.31Å; W276-L332 HydrophobicContact CZ2-CD1 4.14Å; W276-L332 HydrophobicContact CZ2-CD2 4.13Å; W276-L332 HydrophobicContact CZ2-CG 3.88Å; W276-L332 VanDerWaalsContact NE1-CD1 3.31Å
277	Y	94.4	Very high	89.4	Confident	14 Å²	14	56 Å²	56	6%	0.055	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-81.1	-8.1	-177.6	-68.4	-77.7	0	0	0	114.3	D275 G279 P287 W288 A290 R293 L332 Q335 D336 N339	D275-Y277 PolarHBondContact O-N 3.44Å; Y277-G279 VanDerWaalsContact C-N 3.28Å; Y277-P287 HydrophobicContact CD1-CB 4.15Å; Y277-P287 VanDerWaalsContact O-CG 3.31Å; Y277-P287 WeakPolarHBondContact O-CG 3.33Å; Y277-W288 WeakPolarHBondContact CD1-O 3.21Å; Y277-W288 HydrophobicContact CE1-CB 4.31Å; Y277-A290 HydrophobicContact CD1-CB 3.62Å; Y277-A290 HydrophobicContact CD2-CB 4.37Å; Y277-A290 HydrophobicContact CE1-CB 4.27Å; Y277-A290 HydrophobicContact CG-CB 3.65Å; Y277-R293 WeakPolarHBondContact CD2-O 3.28Å; Y277-L332 HydrophobicContact CE2-CD1 4.43Å; Y277-Q335 WeakPolarHBondContact OH-CG 3.32Å; Y277-Q335 PolarHBondContact OH-NE2 2.96Å; Y277-Q335 PolarHBondContact OH-O 3.08Å; Y277-D336 WeakPolarHBondContact CE1-OD1 3.44Å; Y277-D336 PolarHBondContact OH-N 3.12Å; Y277-D336 PolarHBondContact OH-OD1 3.27Å; Y277-N339 HydrophobicContact CE1-CB 4.27Å; Y277-N339 PolarHBondContact OH-ND2 3.48Å
278	L	92.5	Very high	89.2	Confident	73 Å²	73	56.1 Å²	56.1	38%	0.382	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-79.1	-13.2	173.2	-60.4	-177.2	0	0	0	112.5	D275 W276 N280 G292 R293	D275-L278 HydrophobicContact CB-CB 4.32Å; D275-L278 HydrophobicContact CB-CD1 4.03Å; D275-L278 HydrophobicContact CB-CG 4.42Å; D275-L278 PolarHBondContact O-N 2.83Å; D275-L278 VanDerWaalsContact O-N 3.1Å; D275-L278 WeakPolarHBondContact OD1-CD1 3.35Å; W276-L278 VanDerWaalsContact C-N 3.3Å; W276-L278 PolarHBondContact O-N 3.45Å; L278-N280 VanDerWaalsContact C-N 3.27Å; L278-N280 PolarHBondContact O-N 3.27Å; L278-N280 PolarHBondContact O-OD1 3.43Å; L278-G292 WeakPolarHBondContact CD2-O 3.27Å; L278-R293 HydrophobicContact CD1-CG 4.03Å; L278-R293 HydrophobicContact CD2-CG 4.48Å; L278-R293 HydrophobicContact CG-CG 4.17Å
279	G	84.9	Confident	89.1	Confident	18 Å²	18	57.1 Å²	57.1	19%	0.186	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	6.6	179.6	0	0	0	0	0	114.4	W276 Y277	W276-G279 PolarHBondContact O-N 3.24Å; Y277-G279 VanDerWaalsContact C-N 3.28Å
280	N	78	Confident	89	Confident	126 Å²	126	57.8 Å²	57.8	67%	0.674	28%	0.278	S	S	*	.			trans	-97.9	1.3	-168.1	-64.2	-18.2	0	0	0	114.4	L278	L278-N280 VanDerWaalsContact C-N 3.27Å; L278-N280 PolarHBondContact O-N 3.27Å; L278-N280 PolarHBondContact O-OD1 3.43Å
281	L	74.5	Confident	88.9	Confident	51 Å²	51	61.2 Å²	61.2	27%	0.267	30%	0.296	S	S	.	.	S	Bend	trans	-72.9	-37.4	-174.9	-75.4	169.9	0	0	0	113.7	W276 H363	W276-L281 VanDerWaalsContact CA-CD1 3.44Å; W276-L281 HydrophobicContact CB-CD1 3.95Å; W276-L281 HydrophobicContact CD2-CD1 4.38Å; W276-L281 HydrophobicContact CE3-CD1 3.84Å; W276-L281 HydrophobicContact CG-CD1 4.5Å; L281-H363 HydrophobicContact CD2-CB 4.35Å
282	W	79.8	Confident	88.8	Confident	126 Å²	126	60.7 Å²	60.7	48%	0.477	31%	0.306	S	S	.	.	S	Bend	trans	-153.5	161.9	176.9	50.7	85.2	0	0	0	112.2	W276 N284 H285	W276-W282 AromaticContact CE3-CH2 3.83Å; W276-W282 HydrophobicContact CE3-CH2 3.83Å; W276-W282 HydrophobicContact CH2-CH2 4.04Å; W276-W282 HydrophobicContact CH2-CZ2 4.28Å; W276-W282 AromaticContact CZ3-CH2 3.42Å; W276-W282 HydrophobicContact CZ3-CH2 3.42Å; W276-W282 VanDerWaalsContact CZ3-CH2 3.42Å; W276-W282 HydrophobicContact CZ3-CZ2 4.1Å; W276-W282 HydrophobicContact CZ3-CZ3 4.44Å; W282-N284 PolarHBondContact O-N 2.9Å; W282-H285 HydrophobicContact CD2-CB 4.17Å; W282-H285 AromaticContact CE2-CG 3.59Å; W282-H285 AromaticContact CE2-ND1 3.51Å; W282-H285 HydrophobicContact CG-CB 4.04Å; W282-H285 HydrophobicContact CZ2-CB 4.34Å; W282-H285 AromaticContact CZ2-CE1 3.6Å; W282-H285 AromaticContact CZ2-CG 3.71Å; W282-H285 AromaticContact CZ2-ND1 3.29Å; W282-H285 VanDerWaalsContact CZ2-ND1 3.29Å; W282-H285 WeakPolarHBondContact CZ2-ND1 3.17Å; W282-H285 VanDerWaalsContact NE1-CB 3.33Å; W282-H285 AromaticContact NE1-CG 3.62Å; W282-H285 AromaticContact NE1-ND1 3.54Å; W282-H285 WeakPolarHBondContact O-CB 3.31Å; W282-H285 PolarHBondContact O-N 3.47Å; W282-H285 VanDerWaalsContact O-N 3.13Å
283	K	74.3	Confident	88.8	Confident	198 Å²	198	63.5 Å²	63.5	86%	0.861	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	129.7	175.4	-69.9	-175.5	178.6	-178.8	0	109.7	H285	K283-H285 VanDerWaalsContact C-N 3.32Å
284	N	78.6	Confident	89	Confident	165 Å²	165	62.8 Å²	62.8	88%	0.882	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	14.5	-177.6	-47.6	-30.6	0	0	0	115.6	W282 R286	W282-N284 PolarHBondContact O-N 2.9Å; N284-R286 PolarHBondContact O-N 3.03Å
285	H	83.7	Confident	89.3	Confident	25 Å²	25	62.9 Å²	62.9	12%	0.116	31%	0.311	C	S	.	.			trans	-66.9	117.4	168.1	-170.5	36.9	0	0	0	110.2	W276 W282 K283	W276-H285 AromaticContact CD2-NE2 3.86Å; W276-H285 AromaticContact CE2-CE1 3.8Å; W276-H285 AromaticContact CE2-NE2 3.91Å; W276-H285 AromaticContact CZ2-CE1 3.82Å; W276-H285 PolarHBondContact O-CD2 3.35Å; W276-H285 VanDerWaalsContact O-CD2 3.31Å; W276-H285 PolarHBondContact O-NE2 2.67Å; W282-H285 HydrophobicContact CD2-CB 4.17Å; W282-H285 AromaticContact CE2-CG 3.59Å; W282-H285 AromaticContact CE2-ND1 3.51Å; W282-H285 HydrophobicContact CG-CB 4.04Å; W282-H285 HydrophobicContact CZ2-CB 4.34Å; W282-H285 AromaticContact CZ2-CE1 3.6Å; W282-H285 AromaticContact CZ2-CG 3.71Å; W282-H285 AromaticContact CZ2-ND1 3.29Å; W282-H285 VanDerWaalsContact CZ2-ND1 3.29Å; W282-H285 WeakPolarHBondContact CZ2-ND1 3.17Å; W282-H285 VanDerWaalsContact NE1-CB 3.33Å; W282-H285 AromaticContact NE1-CG 3.62Å; W282-H285 AromaticContact NE1-ND1 3.54Å; W282-H285 WeakPolarHBondContact O-CB 3.31Å; W282-H285 PolarHBondContact O-N 3.47Å; W282-H285 VanDerWaalsContact O-N 3.13Å; K283-H285 VanDerWaalsContact C-N 3.32Å
286	R	88.4	Confident	89.6	Confident	180 Å²	180	61.5 Å²	61.5	68%	0.679	30%	0.304	S	S	*	.			trans	-115.9	99.2	173.1	-169.8	179.3	-177.4	-169.8	-0.4	107.8	N284 M327	N284-R286 PolarHBondContact O-N 3.03Å; R286-M327 HydrophobicContact CG-CE 4.43Å; R286-M327 HydrophobicContact CG-SD 4.2Å; R286-M327 VanDerWaalsContact O-CE 3.24Å; R286-M327 WeakPolarHBondContact O-CE 3.26Å
287	P	92.1	Very high	89.9	Confident	29 Å²	29	59.4 Å²	59.4	19%	0.188	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-77.7	159.4	179.9	31	-33.9	0	0	0	111.6	W276 Y277 M327	W276-P287 WeakPolarHBondContact O-CB 3.42Å; Y277-P287 HydrophobicContact CD1-CB 4.15Å; Y277-P287 VanDerWaalsContact O-CG 3.31Å; Y277-P287 WeakPolarHBondContact O-CG 3.33Å; P287-M327 WeakPolarHBondContact O-CE 3.36Å
288	W	95.4	Very high	90	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.011	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60.3	155.8	167	-85.4	69.2	0	0	0	110.9	Y277 A290 E323 L324 M327 S329 T330 D336 I337 A340	Y277-W288 WeakPolarHBondContact CD1-O 3.21Å; Y277-W288 HydrophobicContact CE1-CB 4.31Å; W288-A290 PolarHBondContact O-N 3.11Å; W288-E323 HydrophobicContact CE3-CB 3.83Å; W288-E323 HydrophobicContact CE3-CG 4.26Å; W288-E323 HydrophobicContact CH2-CB 3.86Å; W288-E323 HydrophobicContact CZ3-CB 3.39Å; W288-E323 HydrophobicContact CZ3-CG 4.05Å; W288-L324 HydrophobicContact CH2-CD2 4.05Å; W288-L324 HydrophobicContact CH2-CG 4Å; W288-L324 HydrophobicContact CZ2-CD2 3.85Å; W288-L324 HydrophobicContact CZ2-CG 4.3Å; W288-M327 HydrophobicContact CB-CE 4.44Å; W288-M327 VanDerWaalsContact CD1-CE 3.46Å; W288-M327 HydrophobicContact CD2-CB 4.49Å; W288-M327 HydrophobicContact CD2-CG 4.38Å; W288-M327 HydrophobicContact CG-CE 3.96Å; W288-M327 HydrophobicContact CZ2-CB 4.05Å; W288-S329 PolarHBondContact NE1-O 2.89Å; W288-T330 HydrophobicContact CH2-CG2 3.87Å; W288-T330 HydrophobicContact CZ2-CG2 3.56Å; W288-D336 HydrophobicContact CB-CB 3.81Å; W288-D336 HydrophobicContact CD2-CB 3.68Å; W288-D336 HydrophobicContact CE3-CB 4.02Å; W288-D336 HydrophobicContact CG-CB 3.56Å; W288-I337 HydrophobicContact CH2-CG1 4.34Å; W288-I337 HydrophobicContact CZ3-CG1 4.04Å; W288-A340 HydrophobicContact CE3-CB 4.21Å
289	P	96.1	Very high	90.3	Very high	21 Å²	21	55.2 Å²	55.2	14%	0.136	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62.2	129.6	179.9	-13.5	24.2	0	0	0	111.2	E323 N339 A340 K343	P289-E323 VanDerWaalsContact CG-CD 3.47Å; P289-E323 HydrophobicContact CG-CG 4.06Å; P289-E323 WeakPolarHBondContact CG-OE2 3.36Å; P289-N339 CarbonylContact O-C 3.47Å; P289-A340 HydrophobicContact CB-CB 4.5Å; P289-A340 HydrophobicContact CG-CB 4.42Å; P289-A340 WeakPolarHBondContact O-CA 3.46Å; P289-A340 PolarHBondContact O-N 3.32Å; P289-A340 VanDerWaalsContact O-N 3.1Å; P289-K343 HydrophobicContact CB-CD 3.34Å
290	A	97.3	Very high	91	Very high	14 Å²	14	54.4 Å²	54.4	12%	0.116	27%	0.267	C	S	.	.			trans	-140.5	167.1	171.1	0	0	0	0	0	111.8	Y277 W288 N339	Y277-A290 HydrophobicContact CD1-CB 3.62Å; Y277-A290 HydrophobicContact CD2-CB 4.37Å; Y277-A290 HydrophobicContact CE1-CB 4.27Å; Y277-A290 HydrophobicContact CG-CB 3.65Å; W288-A290 PolarHBondContact O-N 3.11Å; A290-N339 HydrophobicContact CB-CB 3.77Å
291	L	96	Very high	92	Very high	72 Å²	72	48.4 Å²	48.4	38%	0.377	23%	0.234	S	C	.	.	S	Bend	trans	-87.6	122.2	167.9	-178.1	70.2	0	0	0	109.3	R293 G294 Y295 I342 P346	L291-R293 PolarHBondContact O-N 2.89Å; L291-G294 WeakPolarHBondContact O-CA 3.25Å; L291-G294 PolarHBondContact O-N 2.85Å; L291-Y295 HydrophobicContact CD2-CE2 4.47Å; L291-I342 HydrophobicContact CB-CG2 4.47Å; L291-P346 HydrophobicContact CD2-CB 4.2Å
292	G	95.1	Very high	93.1	Very high	45 Å²	45	46.1 Å²	46.1	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-127.4	-179.6	0	0	0	0	0	111.9	L278 G294	L278-G292 WeakPolarHBondContact CD2-O 3.27Å; G292-G294 PolarHBondContact O-N 3.02Å
293	R	95.2	Very high	94	Very high	63 Å²	63	41 Å²	41	24%	0.238	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.2	173.5	-68.3	-169.2	-173.8	96.1	5.7	113.8	E271 N272 D275 Y277 L278 L291	E271-R293 HydrophobicContact CG-CB 3.94Å; E271-R293 IonicContact OE2-NH1 3.8Å; E271-R293 PolarHBondContact OE2-NH1 3.44Å; E271-R293 VanDerWaalsContact OE2-NH1 3.09Å; N272-R293 WeakPolarHBondContact CB-O 3.15Å; N272-R293 WeakPolarHBondContact O-CB 3.4Å; N272-R293 WeakPolarHBondContact O-CD 3.16Å; D275-R293 IonicContact OD1-CZ 3.68Å; D275-R293 IonicContact OD1-NE 2.64Å; D275-R293 PolarHBondContact OD1-NE 3.43Å; Y277-R293 WeakPolarHBondContact CD2-O 3.28Å; L278-R293 HydrophobicContact CD1-CG 4.03Å; L278-R293 HydrophobicContact CD2-CG 4.48Å; L278-R293 HydrophobicContact CG-CG 4.17Å; L291-R293 PolarHBondContact O-N 2.89Å
294	G	97.3	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.			trans	71.4	-176.3	-170.5	0	0	0	0	0	112.6	E271 N272 L291 G292 N339	E271-G294 CarbonylContact C-O 3.52Å; E271-G294 WeakPolarHBondContact CA-O 3.13Å; E271-G294 WeakPolarHBondContact CG-O 3.23Å; N272-G294 WeakPolarHBondContact CB-O 3.43Å; N272-G294 PolarHBondContact N-O 3.41Å; L291-G294 WeakPolarHBondContact O-CA 3.25Å; L291-G294 PolarHBondContact O-N 2.85Å; G292-G294 PolarHBondContact O-N 3.02Å; G294-N339 WeakPolarHBondContact CA-OD1 3.33Å
295	Y	98.2	Very high	95.9	Very high	15 Å²	15	25.5 Å²	25.5	6%	0.059	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.1	-176.7	-67.6	-83.8	0	0	0	110.7	L269 V270 L291 Q335 N339 I342 V349 Q351	L269-Y295 HydrophobicContact CB-CD1 3.67Å; L269-Y295 HydrophobicContact CB-CG 3.97Å; L269-Y295 HydrophobicContact CD1-CG 4.32Å; V270-Y295 WeakPolarHBondContact O-CA 3.22Å; L291-Y295 HydrophobicContact CD2-CE2 4.47Å; Y295-Q335 VanDerWaalsContact O-CG 3.23Å; Y295-Q335 WeakPolarHBondContact O-CG 3.06Å; Y295-N339 PolarHBondContact N-OD1 3.34Å; Y295-N339 PolarHBondContact O-ND2 3.33Å; Y295-I342 HydrophobicContact CD2-CD1 4.06Å; Y295-I342 HydrophobicContact CD2-CG2 4.1Å; Y295-I342 HydrophobicContact CE2-CG2 3.88Å; Y295-V349 HydrophobicContact CD1-CG1 4.4Å; Y295-V349 HydrophobicContact CE1-CG1 3.9Å; Y295-V349 HydrophobicContact CE2-CG1 4.24Å; Y295-Q351 HydrophobicContact CE1-CB 4.29Å; Y295-Q351 HydrophobicContact CE1-CG 4.09Å; Y295-Q351 PolarHBondContact OH-OE1 2.78Å; Y295-Q351 VanDerWaalsContact OH-OE1 3.14Å
296	N	98.1	Very high	96.6	Very high	5 Å²	5	28 Å²	28	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.2	175.1	178.4	-97.5	0	0	0	111.2	L269 V270 G298 Q335 N357 Q359 H380	L269-N296 WeakPolarHBondContact CD2-O 3.29Å; V270-N296 PolarHBondContact O-N 3.43Å; N296-G298 PolarHBondContact OD1-N 3.38Å; N296-Q335 VanDerWaalsContact CA-OE1 3.27Å; N296-Q335 PolarHBondContact ND2-OE1 2.62Å; N296-N357 PolarHBondContact OD1-ND2 2.74Å; N296-Q359 HydrophobicContact CB-CG 4.34Å; N296-H380 PolarHBondContact OD1-CE1 3.06Å; N296-H380 PolarHBondContact OD1-ND1 2.85Å; N296-H380 VanDerWaalsContact OD1-ND1 3.12Å
297	T	97.9	Very high	97	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.025	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	13.6	-176.2	47.8	0	0	0	0	114.4	K224 I300 D334 Q335 F338	K224-T297 PolarHBondContact NZ-O 2.79Å; T297-I300 HydrophobicContact CG2-CD1 4.01Å; T297-I300 WeakPolarHBondContact O-CG1 3.43Å; T297-D334 PolarHBondContact OG1-OD1 3.17Å; T297-Q335 HydrophobicContact CG2-CB 4.11Å; T297-Q335 HydrophobicContact CG2-CG 3.97Å; T297-Q335 WeakPolarHBondContact OG1-CB 3.49Å; T297-F338 HydrophobicContact CG2-CB 4.05Å; T297-F338 HydrophobicContact CG2-CD2 4.01Å; T297-F338 HydrophobicContact CG2-CG 4.03Å
298	G	97.1	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-19.3	177.7	0	0	0	0	0	115.2	L241 D242 N296	L241-G298 WeakPolarHBondContact CA-O 3.42Å; D242-G298 PolarHBondContact N-O 2.63Å; D242-G298 WeakPolarHBondContact OD2-CA 3.28Å; N296-G298 PolarHBondContact OD1-N 3.38Å
299	V	98.6	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	114.7	170.1	-178.6	0	0	0	0	107.5	V240 L241 I245 L254 N357 V378	V240-V299 WeakPolarHBondContact O-CA 3.31Å; L241-V299 HydrophobicContact CD2-CB 4.43Å; L241-V299 HydrophobicContact CD2-CG1 4.13Å; L241-V299 HydrophobicContact CD2-CG2 4.03Å; I245-V299 HydrophobicContact CD1-CG2 3.88Å; L254-V299 HydrophobicContact CD2-CG1 3.8Å; V299-N357 HydrophobicContact CB-CB 4.15Å; V299-N357 HydrophobicContact CG2-CB 3.96Å; V299-V378 HydrophobicContact CG2-CG1 4.03Å
300	I	98.8	Very high	97.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.2	-178.6	-37.3	-179.9	0	0	0	109.9	K224 I239 V240 G268 L269 T297 L302 F338	K224-I300 HydrophobicContact CD-CD1 4.2Å; I239-I300 CarbonylContact C-O 3.56Å; I239-I300 WeakPolarHBondContact CA-O 3.35Å; V240-I300 HydrophobicContact CB-CB 3.97Å; V240-I300 HydrophobicContact CB-CD1 4.38Å; V240-I300 HydrophobicContact CB-CG1 4.21Å; V240-I300 HydrophobicContact CG2-CB 4.26Å; V240-I300 PolarHBondContact N-O 3.12Å; V240-I300 PolarHBondContact O-N 3.49Å; G268-I300 WeakPolarHBondContact O-CA 3.31Å; L269-I300 HydrophobicContact CD2-CB 4.01Å; L269-I300 HydrophobicContact CD2-CD1 4.39Å; L269-I300 HydrophobicContact CD2-CG1 3.72Å; L269-I300 HydrophobicContact CD2-CG2 3.68Å; L269-I300 HydrophobicContact CG-CG2 4.16Å; T297-I300 HydrophobicContact CG2-CD1 4.01Å; T297-I300 WeakPolarHBondContact O-CG1 3.43Å; I300-L302 HydrophobicContact CB-CD2 4.48Å; I300-L302 HydrophobicContact CB-CG 4.49Å; I300-L302 HydrophobicContact CG2-CD2 3.43Å; I300-L302 VanDerWaalsContact CG2-CD2 3.43Å; I300-L302 HydrophobicContact CG2-CG 3.88Å; I300-F338 HydrophobicContact CD1-CZ 4.3Å
301	L	98.9	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.4	163.8	-62.5	-173.1	0	0	0	109.1	I239 L254 V257 F258 F261 L267 G268 L352	I239-L301 HydrophobicContact CB-CD2 4.3Å; I239-L301 HydrophobicContact CD1-CD2 4.3Å; I239-L301 HydrophobicContact CG1-CD2 3.65Å; I239-L301 HydrophobicContact CG2-CD2 4.25Å; L254-L301 HydrophobicContact CD1-CD1 4.14Å; L254-L301 HydrophobicContact CD1-CD2 4.1Å; L254-L301 HydrophobicContact CD1-CG 4.32Å; L254-L301 HydrophobicContact CG-CD2 4.01Å; V257-L301 HydrophobicContact CB-CD1 3.85Å; V257-L301 HydrophobicContact CG1-CD1 3.99Å; F258-L301 HydrophobicContact CD1-CB 4.36Å; F258-L301 HydrophobicContact CE1-CB 3.67Å; F258-L301 HydrophobicContact CE2-CB 4.31Å; F258-L301 HydrophobicContact CE2-CD2 3.84Å; F258-L301 HydrophobicContact CE2-CG 4.5Å; F258-L301 HydrophobicContact CZ-CB 3.63Å; F258-L301 HydrophobicContact CZ-CD2 3.95Å; F258-L301 HydrophobicContact CZ-CG 4.29Å; F261-L301 HydrophobicContact CE1-CD1 4.14Å; F261-L301 HydrophobicContact CZ-CB 3.83Å; F261-L301 HydrophobicContact CZ-CD1 4.18Å; L267-L301 CarbonylContact C-O 3.44Å; L267-L301 WeakPolarHBondContact CA-O 3.26Å; G268-L301 PolarHBondContact N-O 2.9Å; G268-L301 PolarHBondContact O-N 2.87Å; L301-L352 HydrophobicContact CD1-CD2 3.99Å; L301-L352 HydrophobicContact CG-CD1 4.38Å
302	L	98.7	Very high	97.3	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.3	180	-62.8	-177.3	0	0	0	110.9	L227 R237 V238 V240 L267 I300 L304 L307 F338	L227-L302 HydrophobicContact CB-CD1 4.48Å; L227-L302 HydrophobicContact CD1-CD1 4.05Å; R237-L302 VanDerWaalsContact CA-O 3.23Å; R237-L302 WeakPolarHBondContact CA-O 3.4Å; V238-L302 HydrophobicContact CG1-CB 3.89Å; V238-L302 HydrophobicContact CG1-CD1 4.23Å; V238-L302 HydrophobicContact CG1-CG 4.48Å; V238-L302 PolarHBondContact N-O 2.62Å; V238-L302 PolarHBondContact O-N 3.18Å; V240-L302 HydrophobicContact CG2-CD1 3.44Å; V240-L302 VanDerWaalsContact CG2-CD1 3.44Å; V240-L302 HydrophobicContact CG2-CG 3.86Å; L267-L302 HydrophobicContact CD2-CD2 3.3Å; I300-L302 HydrophobicContact CB-CD2 4.48Å; I300-L302 HydrophobicContact CB-CG 4.49Å; I300-L302 HydrophobicContact CG2-CD2 3.43Å; I300-L302 VanDerWaalsContact CG2-CD2 3.43Å; I300-L302 HydrophobicContact CG2-CG 3.88Å; L302-L304 HydrophobicContact CB-CD2 4.05Å; L302-L304 HydrophobicContact CB-CG 4.48Å; L302-L304 HydrophobicContact CD1-CD2 4.2Å; L302-L304 PolarHBondContact O-N 3.16Å; L302-L307 HydrophobicContact CB-CD1 4.04Å; L302-L307 HydrophobicContact CD2-CD1 3.87Å; L302-L307 HydrophobicContact CG-CD1 4.45Å; L302-F338 HydrophobicContact CD2-CE1 4.48Å
303	L	98.5	Very high	97.4	Very high	19 Å²	19	34 Å²	34	10%	0.099	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	87.8	162.5	-69.2	-177.5	0	0	0	109	E236 R237 F258 F261 V266 D305 K306 L307	E236-L303 CarbonylContact O-C 3.58Å; R237-L303 HydrophobicContact CB-CD2 3.84Å; F258-L303 HydrophobicContact CD1-CD2 3.38Å; F258-L303 HydrophobicContact CD1-CG 3.91Å; F258-L303 HydrophobicContact CE1-CD2 3.64Å; F258-L303 HydrophobicContact CE1-CG 3.97Å; F258-L303 HydrophobicContact CG-CD2 4.3Å; F261-L303 HydrophobicContact CB-CD1 4.45Å; F261-L303 HydrophobicContact CD2-CD1 3.64Å; F261-L303 HydrophobicContact CD2-CG 4.06Å; F261-L303 HydrophobicContact CE2-CD1 4.31Å; F261-L303 HydrophobicContact CE2-CG 4.24Å; F261-L303 HydrophobicContact CG-CD1 4.45Å; V266-L303 HydrophobicContact CB-CB 4.4Å; V266-L303 PolarHBondContact O-N 3.05Å; L303-D305 PolarHBondContact O-N 3.5Å; L303-K306 HydrophobicContact CB-CB 4.3Å; L303-K306 HydrophobicContact CB-CD 4.49Å; L303-K306 HydrophobicContact CD1-CD 3.91Å; L303-K306 PolarHBondContact O-N 3.34Å; L303-L307 WeakPolarHBondContact O-CB 3.24Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.24Å; L303-L307 PolarHBondContact O-N 3.12Å
304	L	98.3	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-42.2	-173.2	-63.8	175.7	0	0	0	112.6	T228 L231 L235 E236 V238 L302 K306 L307 R308	T228-L304 HydrophobicContact CG2-CD2 4.05Å; L231-L304 HydrophobicContact CB-CD1 4.22Å; L231-L304 HydrophobicContact CD1-CD1 3.84Å; L231-L304 HydrophobicContact CD1-CD2 4.44Å; L235-L304 HydrophobicContact CB-CD1 4.21Å; L235-L304 HydrophobicContact CD2-CD1 3.71Å; L235-L304 HydrophobicContact CG-CD1 3.8Å; L235-L304 WeakPolarHBondContact O-CB 3.5Å; E236-L304 PolarHBondContact O-N 3.01Å; V238-L304 HydrophobicContact CB-CD1 4.16Å; V238-L304 HydrophobicContact CG1-CD1 3.76Å; V238-L304 HydrophobicContact CG1-CD2 3.97Å; V238-L304 HydrophobicContact CG1-CG 3.89Å; L302-L304 HydrophobicContact CB-CD2 4.05Å; L302-L304 HydrophobicContact CB-CG 4.48Å; L302-L304 HydrophobicContact CD1-CD2 4.2Å; L302-L304 PolarHBondContact O-N 3.16Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.24Å; L304-L307 PolarHBondContact O-N 2.97Å; L304-R308 WeakPolarHBondContact O-CB 3.38Å; L304-R308 WeakPolarHBondContact O-CG 3.45Å; L304-R308 PolarHBondContact O-N 2.76Å
305	D	95.4	Very high	97.5	Very high	37 Å²	37	38 Å²	38	20%	0.198	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-44	-178.9	82	-57	0	0	0	111.3	E236 L303 K309	E236-D305 HydrophobicContact CB-CB 4.47Å; E236-D305 PolarHBondContact O-N 2.85Å; L303-D305 PolarHBondContact O-N 3.5Å; D305-K309 WeakPolarHBondContact O-CD 3.49Å; D305-K309 VanDerWaalsContact O-CG 3.3Å; D305-K309 WeakPolarHBondContact O-CG 3.33Å; D305-K309 PolarHBondContact O-N 3.4Å; D305-K309 VanDerWaalsContact O-N 3.11Å; D305-K309 IonicContact OD2-NZ 2.86Å; D305-K309 PolarHBondContact OD2-NZ 2.04Å
306	K	96.9	Very high	97.5	Very high	77 Å²	77	37.3 Å²	37.3	34%	0.335	17%	0.169	S	C	.	.	H	α-helix	trans	-70.6	-43.5	177.1	-67.7	-172.6	-176.5	178.3	0	111.4	V266 L303 L304 R308 K309 M310	V266-K306 HydrophobicContact CG1-CB 3.47Å; V266-K306 VanDerWaalsContact CG1-CB 3.47Å; V266-K306 HydrophobicContact CG1-CD 3.9Å; V266-K306 HydrophobicContact CG1-CG 4.35Å; L303-K306 HydrophobicContact CB-CB 4.3Å; L303-K306 HydrophobicContact CB-CD 4.49Å; L303-K306 HydrophobicContact CD1-CD 3.91Å; L303-K306 PolarHBondContact O-N 3.34Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.24Å; K306-R308 VanDerWaalsContact C-N 3.29Å; K306-R308 PolarHBondContact O-N 3.3Å; K306-K309 PolarHBondContact O-N 3.48Å; K306-M310 WeakPolarHBondContact O-CB 3.25Å; K306-M310 VanDerWaalsContact O-CG 3.26Å; K306-M310 WeakPolarHBondContact O-CG 3.39Å; K306-M310 PolarHBondContact O-N 3.27Å
307	L	97.9	Very high	97.6	Very high	2 Å²	2	40 Å²	40	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-42.1	176	-76.1	165.4	0	0	0	111.8	T228 V266 L267 L302 L303 L304 M310 K311 W312	T228-L307 HydrophobicContact CG2-CB 3.82Å; T228-L307 HydrophobicContact CG2-CD1 4.16Å; V266-L307 HydrophobicContact CB-CD2 4.08Å; V266-L307 HydrophobicContact CB-CG 4.08Å; V266-L307 HydrophobicContact CG2-CD2 3.61Å; V266-L307 HydrophobicContact CG2-CG 4.18Å; L267-L307 HydrophobicContact CD2-CD1 4.11Å; L267-L307 HydrophobicContact CD2-CD2 4.1Å; L302-L307 HydrophobicContact CB-CD1 4.04Å; L302-L307 HydrophobicContact CD2-CD1 3.87Å; L302-L307 HydrophobicContact CG-CD1 4.45Å; L303-L307 WeakPolarHBondContact O-CB 3.24Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.24Å; L303-L307 PolarHBondContact O-N 3.12Å; L304-L307 PolarHBondContact O-N 2.97Å; L307-M310 CarbonylContact O-C 3.52Å; L307-M310 PolarHBondContact O-N 3.11Å; L307-K311 PolarHBondContact O-N 2.92Å; L307-W312 HydrophobicContact CB-CB 3.94Å; L307-W312 HydrophobicContact CB-CG 4.41Å; L307-W312 HydrophobicContact CD2-CB 4.01Å; L307-W312 HydrophobicContact CD2-CD2 3.78Å; L307-W312 HydrophobicContact CD2-CE3 3.63Å; L307-W312 HydrophobicContact CD2-CG 3.94Å; L307-W312 HydrophobicContact CD2-CZ3 4.36Å; L307-W312 VanDerWaalsContact O-CB 3.32Å; L307-W312 WeakPolarHBondContact O-CB 3.44Å; L307-W312 PolarHBondContact O-N 3.22Å
308	R	97.6	Very high	97.6	Very high	66 Å²	66	43.9 Å²	43.9	25%	0.249	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-47.9	174.4	-71.6	168.1	-174.9	142.9	1.6	111.4	T228 L231 P232 A233 L235 L304 K306 M310 K311	T228-R308 PolarHBondContact O-NE 2.84Å; L231-R308 PolarHBondContact O-NH2 3.31Å; P232-R308 PolarHBondContact O-NH1 3.11Å; P232-R308 PolarHBondContact O-NH2 3.17Å; A233-R308 PolarHBondContact O-NH1 2.89Å; L235-R308 PolarHBondContact O-NH1 2.96Å; L304-R308 WeakPolarHBondContact O-CB 3.38Å; L304-R308 WeakPolarHBondContact O-CG 3.45Å; L304-R308 PolarHBondContact O-N 2.76Å; K306-R308 VanDerWaalsContact C-N 3.29Å; K306-R308 PolarHBondContact O-N 3.3Å; R308-M310 PolarHBondContact O-N 2.99Å; R308-K311 PolarHBondContact O-N 3.5Å
309	K	96.4	Very high	97.6	Very high	159 Å²	159	44 Å²	44	69%	0.691	20%	0.2	S	C	*	.	H	α-helix	trans	-58.8	-35	176	-71.2	163.4	-173.4	159.4	0	112.5	D305 K306 K311	D305-K309 WeakPolarHBondContact O-CD 3.49Å; D305-K309 VanDerWaalsContact O-CG 3.3Å; D305-K309 WeakPolarHBondContact O-CG 3.33Å; D305-K309 PolarHBondContact O-N 3.4Å; D305-K309 VanDerWaalsContact O-N 3.11Å; D305-K309 IonicContact OD2-NZ 2.86Å; D305-K309 PolarHBondContact OD2-NZ 2.04Å; K306-K309 PolarHBondContact O-N 3.48Å; K309-K311 VanDerWaalsContact C-N 3.25Å; K309-K311 PolarHBondContact O-N 3.12Å
310	M	96.1	Very high	97.6	Very high	65 Å²	65	44 Å²	44	32%	0.32	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.3	177.8	-64.6	-178.1	77.2	0	0	113.9	V266 K306 L307 R308 W312 L348	V266-M310 HydrophobicContact CG1-SD 3.97Å; V266-M310 HydrophobicContact CG2-SD 4.41Å; K306-M310 WeakPolarHBondContact O-CB 3.25Å; K306-M310 VanDerWaalsContact O-CG 3.26Å; K306-M310 WeakPolarHBondContact O-CG 3.39Å; K306-M310 PolarHBondContact O-N 3.27Å; L307-M310 CarbonylContact O-C 3.52Å; L307-M310 PolarHBondContact O-N 3.11Å; R308-M310 PolarHBondContact O-N 2.99Å; M310-W312 VanDerWaalsContact C-N 3.34Å; M310-W312 PolarHBondContact O-N 3.05Å; M310-L348 HydrophobicContact CE-CD2 3.34Å; M310-L348 HydrophobicContact SD-CD2 4.06Å
311	K	96.8	Very high	97.5	Very high	133 Å²	133	49 Å²	49	58%	0.578	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	47.3	-176.6	-55.1	-174.7	179.4	-176.5	0	112.5	L307 R308 K309 E313 Q314 M315	L307-K311 PolarHBondContact O-N 2.92Å; R308-K311 PolarHBondContact O-N 3.5Å; K309-K311 VanDerWaalsContact C-N 3.25Å; K309-K311 PolarHBondContact O-N 3.12Å; K311-E313 PolarHBondContact O-N 2.85Å; K311-E313 VanDerWaalsContact O-N 3.11Å; K311-Q314 HydrophobicContact CB-CB 4.19Å; K311-Q314 PolarHBondContact O-N 3.48Å; K311-M315 PolarHBondContact O-N 2.6Å
312	W	96.5	Very high	97.4	Very high	5 Å²	5	55 Å²	55	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-45.4	-43.9	178.9	172.9	-107.3	0	0	0	113.2	T228 L267 L307 M310 Q314 M315 W316 F338 V341	T228-W312 HydrophobicContact CG2-CB 4.33Å; T228-W312 HydrophobicContact CG2-CG 4.18Å; L267-W312 HydrophobicContact CD1-CH2 4.1Å; L267-W312 HydrophobicContact CD1-CZ3 4.16Å; L307-W312 HydrophobicContact CB-CB 3.94Å; L307-W312 HydrophobicContact CB-CG 4.41Å; L307-W312 HydrophobicContact CD2-CB 4.01Å; L307-W312 HydrophobicContact CD2-CD2 3.78Å; L307-W312 HydrophobicContact CD2-CE3 3.63Å; L307-W312 HydrophobicContact CD2-CG 3.94Å; L307-W312 HydrophobicContact CD2-CZ3 4.36Å; L307-W312 VanDerWaalsContact O-CB 3.32Å; L307-W312 WeakPolarHBondContact O-CB 3.44Å; L307-W312 PolarHBondContact O-N 3.22Å; M310-W312 VanDerWaalsContact C-N 3.34Å; M310-W312 PolarHBondContact O-N 3.05Å; W312-Q314 PolarHBondContact O-N 3.07Å; W312-M315 HydrophobicContact CE3-SD 4.35Å; W312-M315 HydrophobicContact CZ3-SD 4.45Å; W312-M315 WeakPolarHBondContact O-CB 3.46Å; W312-M315 PolarHBondContact O-N 3.04Å; W312-M315 VanDerWaalsContact O-N 3.13Å; W312-W316 AromaticContact CD1-CD1 3.68Å; W312-W316 AromaticContact CE2-CD1 3.9Å; W312-W316 HydrophobicContact CZ2-CB 4.37Å; W312-W316 AromaticContact NE1-CD1 3.45Å; W312-W316 PolarHBondContact O-N 3.34Å; W312-F338 AromaticContact CH2-CD1 3.74Å; W312-F338 HydrophobicContact CH2-CD1 3.74Å; W312-F338 AromaticContact CH2-CE1 3.78Å; W312-F338 HydrophobicContact CH2-CE1 3.78Å; W312-F338 HydrophobicContact CH2-CG 4.46Å; W312-F338 AromaticContact CZ2-CD1 3.72Å; W312-F338 HydrophobicContact CZ2-CD1 3.72Å; W312-F338 AromaticContact CZ2-CE1 3.37Å; W312-F338 HydrophobicContact CZ2-CE1 3.37Å; W312-F338 HydrophobicContact CZ2-CE2 4.29Å; W312-F338 HydrophobicContact CZ2-CG 4.32Å; W312-F338 AromaticContact CZ2-CZ 3.7Å; W312-F338 HydrophobicContact CZ2-CZ 3.7Å; W312-V341 HydrophobicContact CE3-CG1 4.49Å; W312-V341 HydrophobicContact CH2-CB 4.25Å; W312-V341 HydrophobicContact CH2-CG1 3.97Å; W312-V341 HydrophobicContact CH2-CG2 4.48Å; W312-V341 HydrophobicContact CZ3-CB 4.34Å; W312-V341 HydrophobicContact CZ3-CG1 3.56Å
313	E	96.4	Very high	97.3	Very high	61 Å²	61	56.7 Å²	56.7	29%	0.285	25%	0.254	S	S	.	.	H	α-helix	trans	-55.9	-50.6	178.5	-175.8	-179.5	175.9	0	0	112.7	K311 M315 W316 R317	K311-E313 PolarHBondContact O-N 2.85Å; K311-E313 VanDerWaalsContact O-N 3.11Å; E313-M315 VanDerWaalsContact C-N 3.29Å; E313-M315 PolarHBondContact O-N 3.45Å; E313-W316 HydrophobicContact CG-CZ2 4.46Å; E313-R317 WeakPolarHBondContact O-CB 3.27Å; E313-R317 VanDerWaalsContact O-CG 3.27Å; E313-R317 WeakPolarHBondContact O-CG 3.15Å; E313-R317 PolarHBondContact O-N 3.39Å; E313-R317 VanDerWaalsContact O-N 3.16Å; E313-R317 IonicContact OE1-CZ 3.94Å; E313-R317 IonicContact OE1-NE 3.07Å; E313-R317 PolarHBondContact OE1-NE 3.24Å; E313-R317 IonicContact OE1-NH2 3.01Å; E313-R317 PolarHBondContact OE1-NH2 2.71Å
314	Q	97.7	Very high	97.2	Very high	105 Å²	105	57 Å²	57	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-39	178	-173.4	178.8	7.7	0	0	111	K311 W312 L318	K311-Q314 HydrophobicContact CB-CB 4.19Å; K311-Q314 PolarHBondContact O-N 3.48Å; W312-Q314 PolarHBondContact O-N 3.07Å; Q314-L318 HydrophobicContact CG-CD1 3.9Å; Q314-L318 HydrophobicContact CG-CG 4.4Å; Q314-L318 WeakPolarHBondContact O-CB 3.41Å; Q314-L318 VanDerWaalsContact O-CG 3.27Å; Q314-L318 WeakPolarHBondContact O-CG 3.37Å; Q314-L318 PolarHBondContact O-N 3.44Å; Q314-L318 VanDerWaalsContact O-N 3.1Å
315	M	97.6	Very high	97	Very high	42 Å²	42	64.5 Å²	64.5	21%	0.207	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-53.2	-179.3	-172.6	-178.5	-64.5	0	0	111.7	K311 W312 E313 R317 T319 V341 L348	K311-M315 PolarHBondContact O-N 2.6Å; W312-M315 HydrophobicContact CE3-SD 4.35Å; W312-M315 HydrophobicContact CZ3-SD 4.45Å; W312-M315 WeakPolarHBondContact O-CB 3.46Å; W312-M315 PolarHBondContact O-N 3.04Å; W312-M315 VanDerWaalsContact O-N 3.13Å; E313-M315 VanDerWaalsContact C-N 3.29Å; E313-M315 PolarHBondContact O-N 3.45Å; M315-R317 PolarHBondContact O-N 3.29Å; M315-T319 PolarHBondContact O-N 2.73Å; M315-T319 VanDerWaalsContact O-N 3.1Å; M315-T319 PolarHBondContact O-OG1 2.92Å; M315-T319 VanDerWaalsContact O-OG1 3.12Å; M315-V341 HydrophobicContact CG-CG1 3.86Å; M315-V341 HydrophobicContact SD-CG1 3.51Å; M315-V341 VanDerWaalsContact SD-CG1 3.51Å; M315-L348 HydrophobicContact SD-CD1 4.06Å
316	W	98	Very high	96.8	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.6	-34.6	-177.7	74.5	-111.3	0	0	0	112.3	V208 W210 I211 L225 V226 W312 E313 T319 A320 I337 V341	V208-W316 HydrophobicContact CG1-CH2 4.37Å; W210-W316 HydrophobicContact CH2-CZ3 4.44Å; W210-W316 HydrophobicContact CZ2-CH2 4.19Å; W210-W316 AromaticContact CZ2-CZ3 3.69Å; W210-W316 HydrophobicContact CZ2-CZ3 3.69Å; I211-W316 HydrophobicContact CD1-CH2 4.44Å; I211-W316 HydrophobicContact CD1-CZ3 3.81Å; L225-W316 HydrophobicContact CB-CD2 4.19Å; L225-W316 HydrophobicContact CB-CH2 4.49Å; L225-W316 HydrophobicContact CB-CZ2 4.1Å; L225-W316 HydrophobicContact CD1-CE3 4.09Å; L225-W316 HydrophobicContact CD1-CZ3 4.15Å; L225-W316 HydrophobicContact CD2-CD2 4.29Å; L225-W316 HydrophobicContact CD2-CG 4.29Å; L225-W316 PolarHBondContact O-NE1 3.35Å; V226-W316 HydrophobicContact CG1-CZ2 4.34Å; W312-W316 AromaticContact CD1-CD1 3.68Å; W312-W316 AromaticContact CE2-CD1 3.9Å; W312-W316 HydrophobicContact CZ2-CB 4.37Å; W312-W316 AromaticContact NE1-CD1 3.45Å; W312-W316 PolarHBondContact O-N 3.34Å; E313-W316 HydrophobicContact CG-CZ2 4.46Å; W316-T319 PolarHBondContact O-N 3.23Å; W316-A320 WeakPolarHBondContact O-CB 3.23Å; W316-A320 PolarHBondContact O-N 3.16Å; W316-I337 HydrophobicContact CB-CG2 3.92Å; W316-I337 HydrophobicContact CE3-CG2 4.33Å; W316-V341 HydrophobicContact CB-CG2 4Å
317	R	98.4	Very high	96.3	Very high	61 Å²	61	62.5 Å²	62.5	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-52.1	176.4	-75.9	-177.5	-173.2	-120.8	5.1	111.3	E207 W210 E313 M315 T319 A320 E321	E207-R317 IonicContact OE2-CZ 3.39Å; E207-R317 IonicContact OE2-NH2 2.73Å; E207-R317 PolarHBondContact OE2-NH2 2.89Å; W210-R317 HydrophobicContact CZ2-CG 4.23Å; E313-R317 WeakPolarHBondContact O-CB 3.27Å; E313-R317 VanDerWaalsContact O-CG 3.27Å; E313-R317 WeakPolarHBondContact O-CG 3.15Å; E313-R317 PolarHBondContact O-N 3.39Å; E313-R317 VanDerWaalsContact O-N 3.16Å; E313-R317 IonicContact OE1-CZ 3.94Å; E313-R317 IonicContact OE1-NE 3.07Å; E313-R317 PolarHBondContact OE1-NE 3.24Å; E313-R317 IonicContact OE1-NH2 3.01Å; E313-R317 PolarHBondContact OE1-NH2 2.71Å; M315-R317 PolarHBondContact O-N 3.29Å; R317-T319 VanDerWaalsContact C-N 3.28Å; R317-T319 PolarHBondContact O-N 3.45Å; R317-A320 PolarHBondContact O-N 3.49Å; R317-A320 VanDerWaalsContact O-N 3.16Å; R317-E321 WeakPolarHBondContact O-CG 2.94Å; R317-E321 PolarHBondContact O-N 3.38Å
318	L	98.1	Very high	95.9	Very high	86 Å²	86	68.9 Å²	68.9	45%	0.45	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-37.5	179.2	-71.3	173.8	0	0	0	112	Q314 R322	Q314-L318 HydrophobicContact CG-CD1 3.9Å; Q314-L318 HydrophobicContact CG-CG 4.4Å; Q314-L318 WeakPolarHBondContact O-CB 3.41Å; Q314-L318 VanDerWaalsContact O-CG 3.27Å; Q314-L318 WeakPolarHBondContact O-CG 3.37Å; Q314-L318 PolarHBondContact O-N 3.44Å; Q314-L318 VanDerWaalsContact O-N 3.1Å; L318-R322 WeakPolarHBondContact O-CB 3.39Å; L318-R322 PolarHBondContact O-N 2.88Å; L318-R322 VanDerWaalsContact O-N 3.15Å
319	T	98.1	Very high	95.8	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-46.7	174.1	-63.6	0	0	0	0	111.3	M315 W316 R317 R322 E323 A340 V341	M315-T319 PolarHBondContact O-N 2.73Å; M315-T319 VanDerWaalsContact O-N 3.1Å; M315-T319 PolarHBondContact O-OG1 2.92Å; M315-T319 VanDerWaalsContact O-OG1 3.12Å; W316-T319 PolarHBondContact O-N 3.23Å; R317-T319 VanDerWaalsContact C-N 3.28Å; R317-T319 PolarHBondContact O-N 3.45Å; T319-R322 PolarHBondContact O-N 2.79Å; T319-E323 HydrophobicContact CG2-CG 4.3Å; T319-E323 WeakPolarHBondContact O-CG 3.31Å; T319-E323 PolarHBondContact O-N 3.13Å; T319-A340 HydrophobicContact CG2-CB 3.54Å; T319-V341 HydrophobicContact CG2-CG2 3.88Å
320	A	97.9	Very high	95.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-47.5	179.6	0	0	0	0	0	111.9	W210 W316 R317 R322 E323 L324 I337	W210-A320 HydrophobicContact CH2-CB 3.84Å; W210-A320 HydrophobicContact CZ3-CB 4.5Å; W316-A320 WeakPolarHBondContact O-CB 3.23Å; W316-A320 PolarHBondContact O-N 3.16Å; R317-A320 PolarHBondContact O-N 3.49Å; R317-A320 VanDerWaalsContact O-N 3.16Å; A320-R322 VanDerWaalsContact C-N 3.29Å; A320-R322 PolarHBondContact O-N 3.43Å; A320-E323 PolarHBondContact O-N 2.74Å; A320-L324 VanDerWaalsContact O-CB 3.28Å; A320-L324 WeakPolarHBondContact O-CB 3.3Å; A320-L324 WeakPolarHBondContact O-CD1 3.22Å; A320-L324 WeakPolarHBondContact O-CG 3.21Å; A320-L324 PolarHBondContact O-N 2.72Å; A320-I337 HydrophobicContact CB-CD1 3.88Å; A320-I337 HydrophobicContact CB-CG1 4.09Å; A320-I337 HydrophobicContact CB-CG2 4.33Å
321	E	97.1	Very high	95.7	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	29%	0.285	S	S	.	.	H	α-helix	trans	-55.5	-44.7	174.8	-72.8	175.9	164.1	0	0	111.8	W210 R317	W210-E321 HydrophobicContact CH2-CG 3.85Å; W210-E321 HydrophobicContact CZ3-CG 3.84Å; R317-E321 WeakPolarHBondContact O-CG 2.94Å; R317-E321 PolarHBondContact O-N 3.38Å
322	R	96.9	Very high	95.6	Very high	127 Å²	127	53 Å²	53	48%	0.479	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-50.7	179.2	-173.6	-170.8	-58.1	157.1	6.2	112.3	L318 T319 A320 M325 Q344	L318-R322 WeakPolarHBondContact O-CB 3.39Å; L318-R322 PolarHBondContact O-N 2.88Å; L318-R322 VanDerWaalsContact O-N 3.15Å; T319-R322 PolarHBondContact O-N 2.79Å; A320-R322 VanDerWaalsContact C-N 3.29Å; A320-R322 PolarHBondContact O-N 3.43Å; R322-M325 HydrophobicContact CB-CE 4.45Å; R322-M325 HydrophobicContact CG-CE 4.28Å; R322-M325 WeakPolarHBondContact O-CB 3.33Å; R322-M325 PolarHBondContact O-N 3.46Å; R322-Q344 VanDerWaalsContact NH1-CD 3.26Å; R322-Q344 VanDerWaalsContact NH1-NE2 3.13Å
323	E	96.9	Very high	95.6	Very high	39 Å²	39	52.8 Å²	52.8	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-73	-30.1	-175.5	-61.7	-52.4	147.5	0	0	112.2	W288 P289 T319 A320 M325 G326 M327 A340	W288-E323 HydrophobicContact CE3-CB 3.83Å; W288-E323 HydrophobicContact CE3-CG 4.26Å; W288-E323 HydrophobicContact CH2-CB 3.86Å; W288-E323 HydrophobicContact CZ3-CB 3.39Å; W288-E323 HydrophobicContact CZ3-CG 4.05Å; P289-E323 VanDerWaalsContact CG-CD 3.47Å; P289-E323 HydrophobicContact CG-CG 4.06Å; P289-E323 WeakPolarHBondContact CG-OE2 3.36Å; T319-E323 HydrophobicContact CG2-CG 4.3Å; T319-E323 WeakPolarHBondContact O-CG 3.31Å; T319-E323 PolarHBondContact O-N 3.13Å; A320-E323 PolarHBondContact O-N 2.74Å; E323-M325 PolarHBondContact O-N 2.88Å; E323-G326 PolarHBondContact O-N 2.96Å; E323-M327 WeakPolarHBondContact O-CB 3.44Å; E323-M327 WeakPolarHBondContact O-CG 3.42Å; E323-M327 PolarHBondContact O-N 2.77Å; E323-A340 HydrophobicContact CG-CB 4.14Å
324	L	96.5	Very high	95.6	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-25.5	176.5	-77.9	170.3	0	0	0	113.3	W210 I211 W288 A320 G326 L328	W210-L324 HydrophobicContact CE3-CD1 4.42Å; W210-L324 HydrophobicContact CZ3-CD1 3.86Å; I211-L324 HydrophobicContact CG2-CD1 4.37Å; W288-L324 HydrophobicContact CH2-CD2 4.05Å; W288-L324 HydrophobicContact CH2-CG 4Å; W288-L324 HydrophobicContact CZ2-CD2 3.85Å; W288-L324 HydrophobicContact CZ2-CG 4.3Å; A320-L324 VanDerWaalsContact O-CB 3.28Å; A320-L324 WeakPolarHBondContact O-CB 3.3Å; A320-L324 WeakPolarHBondContact O-CD1 3.22Å; A320-L324 WeakPolarHBondContact O-CG 3.21Å; A320-L324 PolarHBondContact O-N 2.72Å; L324-G326 PolarHBondContact O-N 3.24Å; L324-L328 PolarHBondContact O-N 2.69Å
325	M	93.4	Very high	95.7	Very high	157 Å²	157	45.8 Å²	45.8	77%	0.773	23%	0.234	S	C	*	.	H	α-helix	trans	-59.2	-28.2	171.6	-69	-170	-88.2	0	0	112.8	R322 E323	R322-M325 HydrophobicContact CB-CE 4.45Å; R322-M325 HydrophobicContact CG-CE 4.28Å; R322-M325 WeakPolarHBondContact O-CB 3.33Å; R322-M325 PolarHBondContact O-N 3.46Å; E323-M325 PolarHBondContact O-N 2.88Å
326	G	90.6	Very high	95.7	Very high	41 Å²	41	43.8 Å²	43.8	42%	0.423	22%	0.224	S	C	.	.	H	α-helix	trans	-109	-28.6	-179.1	0	0	0	0	0	115.4	E323 L324	E323-G326 PolarHBondContact O-N 2.96Å; L324-G326 PolarHBondContact O-N 3.24Å
327	M	87.1	Confident	95.7	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-101.8	-12.4	-170.1	-62.8	-63.1	-68.7	0	0	114.3	R286 P287 W288 E323 S329	R286-M327 HydrophobicContact CG-CE 4.43Å; R286-M327 HydrophobicContact CG-SD 4.2Å; R286-M327 VanDerWaalsContact O-CE 3.24Å; R286-M327 WeakPolarHBondContact O-CE 3.26Å; P287-M327 WeakPolarHBondContact O-CE 3.36Å; W288-M327 HydrophobicContact CB-CE 4.44Å; W288-M327 VanDerWaalsContact CD1-CE 3.46Å; W288-M327 HydrophobicContact CD2-CB 4.49Å; W288-M327 HydrophobicContact CD2-CG 4.38Å; W288-M327 HydrophobicContact CG-CE 3.96Å; W288-M327 HydrophobicContact CZ2-CB 4.05Å; E323-M327 WeakPolarHBondContact O-CB 3.44Å; E323-M327 WeakPolarHBondContact O-CG 3.42Å; E323-M327 PolarHBondContact O-N 2.77Å; M327-S329 PolarHBondContact O-N 3.25Å
328	L	89.4	Confident	95.7	Very high	137 Å²	137	41 Å²	41	72%	0.717	21%	0.213	S	C	*	.	S	Bend	trans	62.3	-31.4	-179.1	-55.7	174.4	0	0	0	116.5	P212 L324	P212-L328 WeakPolarHBondContact CB-O 3.36Å; L324-L328 PolarHBondContact O-N 2.69Å
329	S	95.6	Very high	95.7	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.063	19%	0.192	C	C	.	.	S	Bend	trans	-164.1	153	-179.1	59.7	0	0	0	0	112.1	P212 K214 W288 M327	P212-S329 CarbonylContact O-C 3.55Å; P212-S329 WeakPolarHBondContact O-CA 3.49Å; P212-S329 WeakPolarHBondContact O-CB 3.25Å; K214-S329 WeakPolarHBondContact CD-OG 3.41Å; K214-S329 WeakPolarHBondContact CE-OG 3.03Å; K214-S329 PolarHBondContact NZ-OG 2.9Å; K214-S329 VanDerWaalsContact NZ-OG 3.08Å; W288-S329 PolarHBondContact NE1-O 2.89Å; M327-S329 PolarHBondContact O-N 3.25Å
330	T	96.5	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-70.5	146.5	163.8	57.7	0	0	0	0	110.8	I211 P212 N213 K214 W288 D336 I337	I211-T330 HydrophobicContact CG2-CG2 3.92Å; P212-T330 PolarHBondContact O-N 3.08Å; P212-T330 PolarHBondContact O-OG1 3.4Å; N213-T330 WeakPolarHBondContact CA-OG1 3.23Å; N213-T330 WeakPolarHBondContact CB-OG1 3.4Å; N213-T330 VanDerWaalsContact CG-OG1 3.28Å; N213-T330 PolarHBondContact OD1-O 2.91Å; N213-T330 PolarHBondContact OD1-OG1 3.29Å; K214-T330 PolarHBondContact N-O 3.49Å; W288-T330 HydrophobicContact CH2-CG2 3.87Å; W288-T330 HydrophobicContact CZ2-CG2 3.56Å; T330-D336 HydrophobicContact CG2-CB 4.25Å; T330-I337 HydrophobicContact CG2-CD1 3.99Å; T330-I337 HydrophobicContact CG2-CG1 4.06Å
331	S	94	Very high	95.8	Very high	44 Å²	44	36.8 Å²	36.8	31%	0.308	19%	0.191	S	C	.	.	S	Bend	trans	-107.1	-36.2	174	-59.1	0	0	0	0	111.9	D336	S331-D336 PolarHBondContact N-OD2 2.72Å
332	L	94.8	Very high	95.8	Very high	36 Å²	36	31.8 Å²	31.8	19%	0.188	17%	0.168	C	C	.	.	S	Bend	trans	-113.3	32.8	177.4	-58.1	-176.4	0	0	0	111.7	W276 Y277 D334 Q335 D336	W276-L332 HydrophobicContact CD2-CD1 3.9Å; W276-L332 HydrophobicContact CG-CD1 3.96Å; W276-L332 HydrophobicContact CH2-CD2 4.31Å; W276-L332 HydrophobicContact CZ2-CD1 4.14Å; W276-L332 HydrophobicContact CZ2-CD2 4.13Å; W276-L332 HydrophobicContact CZ2-CG 3.88Å; W276-L332 VanDerWaalsContact NE1-CD1 3.31Å; Y277-L332 HydrophobicContact CE2-CD1 4.43Å; L332-D334 PolarHBondContact O-N 3.11Å; L332-Q335 HydrophobicContact CB-CB 3.98Å; L332-Q335 WeakPolarHBondContact O-CB 3.25Å; L332-Q335 PolarHBondContact O-N 3.04Å; L332-D336 PolarHBondContact N-OD2 2.76Å
333	A	96.6	Very high	95.9	Very high	1 Å²	1	31 Å²	31	1%	0.008	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-124.2	176.2	0	0	0	0	0	113.8	H215 G221 L222 Q335 D336	H215-A333 HydrophobicContact CB-CB 3.81Å; G221-A333 VanDerWaalsContact O-CB 3.29Å; G221-A333 WeakPolarHBondContact O-CB 3.41Å; L222-A333 HydrophobicContact CD2-CB 4.03Å; L222-A333 HydrophobicContact CG-CB 4.34Å; A333-Q335 PolarHBondContact O-N 3.21Å; A333-D336 PolarHBondContact O-N 3.01Å
334	D	97.6	Very high	95.9	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-55.5	-37	178.6	63	-22	0	0	0	112.8	G221 K224 L225 T297 L332 D336 I337 F338	G221-D334 VanDerWaalsContact O-CB 3.25Å; G221-D334 WeakPolarHBondContact O-CB 3.49Å; G221-D334 PolarHBondContact O-N 2.82Å; K224-D334 HydrophobicContact CB-CB 4.4Å; K224-D334 WeakPolarHBondContact CB-OD2 3.31Å; K224-D334 WeakPolarHBondContact CD-OD2 3.48Å; K224-D334 WeakPolarHBondContact CE-OD2 3.34Å; K224-D334 WeakPolarHBondContact CG-OD2 3.38Å; K224-D334 IonicContact NZ-OD2 3.75Å; K224-D334 PolarHBondContact NZ-OD2 3.24Å; L225-D334 HydrophobicContact CD2-CB 4.43Å; L225-D334 HydrophobicContact CG-CB 4.16Å; T297-D334 PolarHBondContact OG1-OD1 3.17Å; L332-D334 PolarHBondContact O-N 3.11Å; D334-D336 VanDerWaalsContact C-N 3.26Å; D334-D336 PolarHBondContact O-N 3.06Å; D334-I337 PolarHBondContact O-N 3.1Å; D334-F338 HydrophobicContact CB-CD2 4.26Å; D334-F338 HydrophobicContact CB-CE2 4.43Å; D334-F338 WeakPolarHBondContact O-CD2 3.46Å; D334-F338 PolarHBondContact O-N 3.23Å
335	Q	98.1	Very high	95.9	Very high	11 Å²	11	33 Å²	33	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-41.4	-177.1	-160.1	180	-90	0	0	111.7	Y277 Y295 N296 T297 L332 A333 I337 N339	Y277-Q335 WeakPolarHBondContact OH-CG 3.32Å; Y277-Q335 PolarHBondContact OH-NE2 2.96Å; Y277-Q335 PolarHBondContact OH-O 3.08Å; Y295-Q335 VanDerWaalsContact O-CG 3.23Å; Y295-Q335 WeakPolarHBondContact O-CG 3.06Å; N296-Q335 VanDerWaalsContact CA-OE1 3.27Å; N296-Q335 PolarHBondContact ND2-OE1 2.62Å; T297-Q335 HydrophobicContact CG2-CB 4.11Å; T297-Q335 HydrophobicContact CG2-CG 3.97Å; T297-Q335 WeakPolarHBondContact OG1-CB 3.49Å; L332-Q335 HydrophobicContact CB-CB 3.98Å; L332-Q335 WeakPolarHBondContact O-CB 3.25Å; L332-Q335 PolarHBondContact O-N 3.04Å; A333-Q335 PolarHBondContact O-N 3.21Å; Q335-I337 VanDerWaalsContact C-N 3.35Å; Q335-N339 WeakPolarHBondContact O-CB 3.17Å; Q335-N339 PolarHBondContact O-N 3.35Å; Q335-N339 PolarHBondContact O-ND2 2.92Å
336	D	98.1	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-41.9	179	-78.1	-25.5	0	0	0	111.3	Y277 W288 T330 S331 L332 A333 D334 N339 A340	Y277-D336 WeakPolarHBondContact CE1-OD1 3.44Å; Y277-D336 PolarHBondContact OH-N 3.12Å; Y277-D336 PolarHBondContact OH-OD1 3.27Å; W288-D336 HydrophobicContact CB-CB 3.81Å; W288-D336 HydrophobicContact CD2-CB 3.68Å; W288-D336 HydrophobicContact CE3-CB 4.02Å; W288-D336 HydrophobicContact CG-CB 3.56Å; T330-D336 HydrophobicContact CG2-CB 4.25Å; S331-D336 PolarHBondContact N-OD2 2.72Å; L332-D336 PolarHBondContact N-OD2 2.76Å; A333-D336 PolarHBondContact O-N 3.01Å; D334-D336 VanDerWaalsContact C-N 3.26Å; D334-D336 PolarHBondContact O-N 3.06Å; D336-N339 PolarHBondContact O-N 2.75Å; D336-A340 WeakPolarHBondContact O-CB 3.08Å; D336-A340 PolarHBondContact O-N 3.07Å
337	I	98.4	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-73.2	-44.3	-178.3	-67	168	0	0	0	110.9	I211 L222 L225 W288 W316 A320 T330 D334 Q335 N339 A340 V341	I211-I337 HydrophobicContact CD1-CD1 3.86Å; I211-I337 HydrophobicContact CG2-CD1 4.06Å; L222-I337 HydrophobicContact CD2-CD1 4.37Å; L225-I337 HydrophobicContact CD1-CB 4.47Å; L225-I337 HydrophobicContact CD1-CD1 3.68Å; L225-I337 HydrophobicContact CD1-CG2 4.42Å; L225-I337 HydrophobicContact CD2-CB 4.12Å; L225-I337 HydrophobicContact CD2-CG2 3.78Å; W288-I337 HydrophobicContact CH2-CG1 4.34Å; W288-I337 HydrophobicContact CZ3-CG1 4.04Å; W316-I337 HydrophobicContact CB-CG2 3.92Å; W316-I337 HydrophobicContact CE3-CG2 4.33Å; A320-I337 HydrophobicContact CB-CD1 3.88Å; A320-I337 HydrophobicContact CB-CG1 4.09Å; A320-I337 HydrophobicContact CB-CG2 4.33Å; T330-I337 HydrophobicContact CG2-CD1 3.99Å; T330-I337 HydrophobicContact CG2-CG1 4.06Å; D334-I337 PolarHBondContact O-N 3.1Å; Q335-I337 VanDerWaalsContact C-N 3.35Å; I337-N339 VanDerWaalsContact C-N 3.29Å; I337-N339 PolarHBondContact O-N 3.37Å; I337-A340 PolarHBondContact O-N 3.13Å; I337-V341 WeakPolarHBondContact O-CG2 3.35Å; I337-V341 PolarHBondContact O-N 2.89Å
338	F	98.5	Very high	96.9	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-54.5	-47.8	172.6	-92.4	-89.9	0	0	0	110.7	L225 L267 T297 I300 L302 W312 D334 A340 V341 I342	L225-F338 HydrophobicContact CD2-CD2 3.89Å; L225-F338 HydrophobicContact CD2-CE2 3.79Å; L267-F338 HydrophobicContact CD1-CD1 4.16Å; L267-F338 HydrophobicContact CD1-CE1 4.37Å; L267-F338 HydrophobicContact CD2-CE1 4.04Å; T297-F338 HydrophobicContact CG2-CB 4.05Å; T297-F338 HydrophobicContact CG2-CD2 4.01Å; T297-F338 HydrophobicContact CG2-CG 4.03Å; I300-F338 HydrophobicContact CD1-CZ 4.3Å; L302-F338 HydrophobicContact CD2-CE1 4.48Å; W312-F338 AromaticContact CH2-CD1 3.74Å; W312-F338 HydrophobicContact CH2-CD1 3.74Å; W312-F338 AromaticContact CH2-CE1 3.78Å; W312-F338 HydrophobicContact CH2-CE1 3.78Å; W312-F338 HydrophobicContact CH2-CG 4.46Å; W312-F338 AromaticContact CZ2-CD1 3.72Å; W312-F338 HydrophobicContact CZ2-CD1 3.72Å; W312-F338 AromaticContact CZ2-CE1 3.37Å; W312-F338 HydrophobicContact CZ2-CE1 3.37Å; W312-F338 HydrophobicContact CZ2-CE2 4.29Å; W312-F338 HydrophobicContact CZ2-CG 4.32Å; W312-F338 AromaticContact CZ2-CZ 3.7Å; W312-F338 HydrophobicContact CZ2-CZ 3.7Å; D334-F338 HydrophobicContact CB-CD2 4.26Å; D334-F338 HydrophobicContact CB-CE2 4.43Å; D334-F338 WeakPolarHBondContact O-CD2 3.46Å; D334-F338 PolarHBondContact O-N 3.23Å; F338-A340 PolarHBondContact O-N 3.25Å; F338-V341 PolarHBondContact O-N 2.84Å; F338-I342 WeakPolarHBondContact O-CB 3.41Å; F338-I342 WeakPolarHBondContact O-CD1 3.48Å; F338-I342 WeakPolarHBondContact O-CG1 3.36Å; F338-I342 PolarHBondContact O-N 3.27Å
339	N	98.6	Very high	97.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-39.1	179.3	-84.9	-72.8	0	0	0	113.3	Y277 P289 A290 G294 Y295 Q335 D336 I337 I342 K343	Y277-N339 HydrophobicContact CE1-CB 4.27Å; Y277-N339 PolarHBondContact OH-ND2 3.48Å; P289-N339 CarbonylContact O-C 3.47Å; A290-N339 HydrophobicContact CB-CB 3.77Å; G294-N339 WeakPolarHBondContact CA-OD1 3.33Å; Y295-N339 PolarHBondContact N-OD1 3.34Å; Y295-N339 PolarHBondContact O-ND2 3.33Å; Q335-N339 WeakPolarHBondContact O-CB 3.17Å; Q335-N339 PolarHBondContact O-N 3.35Å; Q335-N339 PolarHBondContact O-ND2 2.92Å; D336-N339 PolarHBondContact O-N 2.75Å; I337-N339 VanDerWaalsContact C-N 3.29Å; I337-N339 PolarHBondContact O-N 3.37Å; N339-I342 PolarHBondContact O-N 2.94Å; N339-K343 WeakPolarHBondContact O-CB 3.11Å; N339-K343 PolarHBondContact O-N 3.48Å
340	A	98.3	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-40.9	176.9	0	0	0	0	0	111.9	W288 P289 T319 E323 D336 I337 F338 K343 Q344	W288-A340 HydrophobicContact CE3-CB 4.21Å; P289-A340 HydrophobicContact CB-CB 4.5Å; P289-A340 HydrophobicContact CG-CB 4.42Å; P289-A340 WeakPolarHBondContact O-CA 3.46Å; P289-A340 PolarHBondContact O-N 3.32Å; P289-A340 VanDerWaalsContact O-N 3.1Å; T319-A340 HydrophobicContact CG2-CB 3.54Å; E323-A340 HydrophobicContact CG-CB 4.14Å; D336-A340 WeakPolarHBondContact O-CB 3.08Å; D336-A340 PolarHBondContact O-N 3.07Å; I337-A340 PolarHBondContact O-N 3.13Å; F338-A340 PolarHBondContact O-N 3.25Å; A340-K343 PolarHBondContact O-N 3.18Å; A340-Q344 PolarHBondContact O-N 3.34Å
341	V	98.4	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-45.3	174.6	174.4	0	0	0	0	110.8	W312 M315 W316 T319 I337 F338 K343 Q344 N345 L348	W312-V341 HydrophobicContact CE3-CG1 4.49Å; W312-V341 HydrophobicContact CH2-CB 4.25Å; W312-V341 HydrophobicContact CH2-CG1 3.97Å; W312-V341 HydrophobicContact CH2-CG2 4.48Å; W312-V341 HydrophobicContact CZ3-CB 4.34Å; W312-V341 HydrophobicContact CZ3-CG1 3.56Å; M315-V341 HydrophobicContact CG-CG1 3.86Å; M315-V341 HydrophobicContact SD-CG1 3.51Å; M315-V341 VanDerWaalsContact SD-CG1 3.51Å; W316-V341 HydrophobicContact CB-CG2 4Å; T319-V341 HydrophobicContact CG2-CG2 3.88Å; I337-V341 WeakPolarHBondContact O-CG2 3.35Å; I337-V341 PolarHBondContact O-N 2.89Å; F338-V341 PolarHBondContact O-N 2.84Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.21Å; V341-Q344 PolarHBondContact O-N 3.15Å; V341-Q344 VanDerWaalsContact O-N 3.17Å; V341-N345 PolarHBondContact O-N 3.41Å; V341-N345 PolarHBondContact O-ND2 2.91Å; V341-L348 HydrophobicContact CG1-CD1 4.46Å
342	I	98.4	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-39.8	178.8	-70.2	164.2	0	0	0	111.3	L267 L269 L291 Y295 F338 N339 Q344 N345 P346 V349	L267-I342 HydrophobicContact CD1-CD1 4.16Å; L267-I342 HydrophobicContact CD1-CG1 4.09Å; L269-I342 HydrophobicContact CD1-CD1 3.57Å; L291-I342 HydrophobicContact CB-CG2 4.47Å; Y295-I342 HydrophobicContact CD2-CD1 4.06Å; Y295-I342 HydrophobicContact CD2-CG2 4.1Å; Y295-I342 HydrophobicContact CE2-CG2 3.88Å; F338-I342 WeakPolarHBondContact O-CB 3.41Å; F338-I342 WeakPolarHBondContact O-CD1 3.48Å; F338-I342 WeakPolarHBondContact O-CG1 3.36Å; F338-I342 PolarHBondContact O-N 3.27Å; N339-I342 PolarHBondContact O-N 2.94Å; I342-Q344 PolarHBondContact O-N 3.19Å; I342-N345 CarbonylContact O-C 3.58Å; I342-N345 PolarHBondContact O-N 3.48Å; I342-P346 WeakPolarHBondContact O-CA 3.37Å; I342-P346 WeakPolarHBondContact O-CD 3.47Å; I342-V349 HydrophobicContact CB-CG2 4.17Å; I342-V349 HydrophobicContact CD1-CG2 3.65Å; I342-V349 HydrophobicContact CG1-CG2 3.52Å; I342-V349 HydrophobicContact CG2-CG2 3.58Å
343	K	97.8	Very high	97.7	Very high	111 Å²	111	29.4 Å²	29.4	48%	0.483	15%	0.145	S	C	.	.	H	α-helix	trans	-59.2	-37	176.7	-171.9	-177.3	-173.5	169.9	0	111.8	P289 N339 A340 V341	P289-K343 HydrophobicContact CB-CD 3.34Å; N339-K343 WeakPolarHBondContact O-CB 3.11Å; N339-K343 PolarHBondContact O-N 3.48Å; A340-K343 PolarHBondContact O-N 3.18Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.21Å
344	Q	97	Very high	97.6	Very high	71 Å²	71	31.3 Å²	31.3	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-79.1	-24.8	176.9	-63.2	177	25	0	0	112.2	R322 A340 V341 I342	R322-Q344 VanDerWaalsContact NH1-CD 3.26Å; R322-Q344 VanDerWaalsContact NH1-NE2 3.13Å; A340-Q344 PolarHBondContact O-N 3.34Å; V341-Q344 PolarHBondContact O-N 3.15Å; V341-Q344 VanDerWaalsContact O-N 3.17Å; I342-Q344 PolarHBondContact O-N 3.19Å
345	N	97.3	Very high	97.5	Very high	33 Å²	33	34.1 Å²	34.1	18%	0.176	17%	0.17	C	C	.	.			trans	-136	66.6	-175.5	-52.8	-88.4	0	0	0	112.4	V341 I342 F347 L348	V341-N345 PolarHBondContact O-N 3.41Å; V341-N345 PolarHBondContact O-ND2 2.91Å; I342-N345 CarbonylContact O-C 3.58Å; I342-N345 PolarHBondContact O-N 3.48Å; N345-F347 HydrophobicContact CB-CE1 4.05Å; N345-F347 HydrophobicContact CB-CE2 4.49Å; N345-F347 HydrophobicContact CB-CZ 3.93Å; N345-F347 PolarHBondContact O-N 3.18Å; N345-F347 VanDerWaalsContact O-N 3.11Å; N345-L348 HydrophobicContact CB-CD1 3.5Å; N345-L348 VanDerWaalsContact CB-CD1 3.5Å; N345-L348 HydrophobicContact CB-CG 3.76Å; N345-L348 WeakPolarHBondContact O-CG 3.26Å; N345-L348 PolarHBondContact O-N 3.25Å
346	P	97	Very high	97.4	Very high	61 Å²	61	34.3 Å²	34.3	40%	0.396	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-61.8	-26.3	-172.1	-26.6	36.4	0	0	0	114.6	L291 I342 L348 V349	L291-P346 HydrophobicContact CD2-CB 4.2Å; I342-P346 WeakPolarHBondContact O-CA 3.37Å; I342-P346 WeakPolarHBondContact O-CD 3.47Å; P346-L348 PolarHBondContact O-N 2.92Å; P346-V349 PolarHBondContact O-N 3.03Å
347	F	96.8	Very high	97.4	Very high	98 Å²	98	34.3 Å²	34.3	43%	0.43	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-67.7	-12	-179.4	56	-96.3	0	0	0	114.2	Q264 N345 V349	Q264-F347 HydrophobicContact CB-CD2 3.83Å; Q264-F347 HydrophobicContact CB-CE2 4.37Å; N345-F347 HydrophobicContact CB-CE1 4.05Å; N345-F347 HydrophobicContact CB-CE2 4.49Å; N345-F347 HydrophobicContact CB-CZ 3.93Å; N345-F347 PolarHBondContact O-N 3.18Å; N345-F347 VanDerWaalsContact O-N 3.11Å; F347-V349 VanDerWaalsContact C-N 3.27Å; F347-V349 PolarHBondContact O-N 3.19Å
348	L	97.6	Very high	97.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-73.2	-18.5	177.5	-61.1	179.9	0	0	0	113.1	Q265 V266 L267 M310 M315 V341 N345 P346	Q265-L348 WeakPolarHBondContact CA-O 3.43Å; V266-L348 HydrophobicContact CG2-CB 4.05Å; V266-L348 HydrophobicContact CG2-CD2 3.89Å; V266-L348 HydrophobicContact CG2-CG 4.44Å; V266-L348 PolarHBondContact N-O 3.34Å; L267-L348 PolarHBondContact N-O 3.34Å; M310-L348 HydrophobicContact CE-CD2 3.34Å; M310-L348 HydrophobicContact SD-CD2 4.06Å; M315-L348 HydrophobicContact SD-CD1 4.06Å; V341-L348 HydrophobicContact CG1-CD1 4.46Å; N345-L348 HydrophobicContact CB-CD1 3.5Å; N345-L348 VanDerWaalsContact CB-CD1 3.5Å; N345-L348 HydrophobicContact CB-CG 3.76Å; N345-L348 WeakPolarHBondContact O-CG 3.26Å; N345-L348 PolarHBondContact O-N 3.25Å; P346-L348 PolarHBondContact O-N 2.92Å
349	V	98	Very high	97.1	Very high	12 Å²	12	34.2 Å²	34.2	7%	0.073	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.2	-168.6	-177	0	0	0	0	111.9	Q265 L267 Y295 I342 P346 F347	Q265-V349 PolarHBondContact NE2-O 2.98Å; Q265-V349 VanDerWaalsContact NE2-O 3.07Å; L267-V349 HydrophobicContact CB-CG2 4.41Å; L267-V349 CarbonylContact O-C 3.06Å; L267-V349 WeakPolarHBondContact O-CA 3.43Å; Y295-V349 HydrophobicContact CD1-CG1 4.4Å; Y295-V349 HydrophobicContact CE1-CG1 3.9Å; Y295-V349 HydrophobicContact CE2-CG1 4.24Å; I342-V349 HydrophobicContact CB-CG2 4.17Å; I342-V349 HydrophobicContact CD1-CG2 3.65Å; I342-V349 HydrophobicContact CG1-CG2 3.52Å; I342-V349 HydrophobicContact CG2-CG2 3.58Å; P346-V349 PolarHBondContact O-N 3.03Å; F347-V349 VanDerWaalsContact C-N 3.27Å; F347-V349 PolarHBondContact O-N 3.19Å
350	Y	98.4	Very high	96.8	Very high	47 Å²	47	34.2 Å²	34.2	18%	0.184	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.4	156.1	-178	-90.3	0	0	0	108.4	V257 K260 F261 L267 G268 L269 L352	V257-Y350 HydrophobicContact CG1-CD1 4.11Å; V257-Y350 HydrophobicContact CG1-CE1 3.57Å; K260-Y350 HydrophobicContact CB-CE2 3.87Å; K260-Y350 WeakPolarHBondContact CD-OH 3.27Å; F261-Y350 HydrophobicContact CD1-CD1 4.05Å; F261-Y350 HydrophobicContact CD1-CD2 4.08Å; F261-Y350 AromaticContact CD1-CG 3.66Å; F261-Y350 HydrophobicContact CD1-CG 3.66Å; F261-Y350 AromaticContact CE1-CD1 3.69Å; F261-Y350 HydrophobicContact CE1-CD1 3.69Å; F261-Y350 AromaticContact CE1-CG 3.66Å; F261-Y350 HydrophobicContact CE1-CG 3.66Å; L267-Y350 PolarHBondContact O-N 3.09Å; G268-Y350 WeakPolarHBondContact CA-O 3.31Å; L269-Y350 PolarHBondContact N-O 3.13Å; Y350-L352 HydrophobicContact CD1-CD2 3.99Å; Y350-L352 HydrophobicContact CE1-CD2 4.02Å; Y350-L352 PolarHBondContact O-N 2.66Å
351	Q	98	Very high	96.3	Very high	103 Å²	103	35.1 Å²	35.1	48%	0.481	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	113.6	179	179.8	164.4	-30.5	0	0	110.3	Y295	Y295-Q351 HydrophobicContact CE1-CB 4.29Å; Y295-Q351 HydrophobicContact CE1-CG 4.09Å; Y295-Q351 PolarHBondContact OH-OE1 2.78Å; Y295-Q351 VanDerWaalsContact OH-OE1 3.14Å
352	L	97.6	Very high	95.5	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.5	175.2	-67.5	174.4	0	0	0	110.6	L254 V257 L269 V270 L301 Y350	L254-L352 HydrophobicContact CD1-CD1 4.47Å; V257-L352 HydrophobicContact CB-CD2 4.44Å; V257-L352 HydrophobicContact CG1-CD2 3.56Å; L269-L352 PolarHBondContact O-N 3.19Å; V270-L352 HydrophobicContact CG2-CB 3.5Å; V270-L352 HydrophobicContact CG2-CD1 4.21Å; V270-L352 HydrophobicContact CG2-CG 4.49Å; L301-L352 HydrophobicContact CD1-CD2 3.99Å; L301-L352 HydrophobicContact CG-CD1 4.38Å; Y350-L352 HydrophobicContact CD1-CD2 3.99Å; Y350-L352 HydrophobicContact CE1-CD2 4.02Å; Y350-L352 PolarHBondContact O-N 2.66Å
353	P	95.8	Very high	94.7	Very high	55 Å²	55	43.9 Å²	43.9	36%	0.357	22%	0.219	S	C	.	.			trans	-54.9	142	165.7	-24.9	33.1	0	0	0	111.7	F355 W356	P353-F355 VanDerWaalsContact C-N 3.26Å; P353-F355 HydrophobicContact CB-CD1 3.82Å; P353-F355 HydrophobicContact CB-CD2 4.32Å; P353-F355 HydrophobicContact CB-CE1 3.28Å; P353-F355 HydrophobicContact CB-CE2 3.88Å; P353-F355 HydrophobicContact CB-CG 4.32Å; P353-F355 HydrophobicContact CB-CZ 3.33Å; P353-F355 HydrophobicContact CG-CE1 4.16Å; P353-F355 HydrophobicContact CG-CE2 4.41Å; P353-F355 HydrophobicContact CG-CZ 3.81Å; P353-F355 PolarHBondContact O-N 3.02Å; P353-F355 VanDerWaalsContact O-N 3.17Å; P353-W356 WeakPolarHBondContact O-CB 3.47Å; P353-W356 PolarHBondContact O-N 3.03Å; P353-W356 VanDerWaalsContact O-N 3.11Å
354	C	94.9	Very high	94.1	Very high	41 Å²	41	39.2 Å²	39.2	28%	0.277	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-73.5	-12.6	-166.3	68.9	0	0	0	0	115.7	V270 W356 N357 V358 C369	V270-C354 HydrophobicContact CG1-CB 3.8Å; C354-W356 PolarHBondContact O-N 2.84Å; C354-N357 CarbonylContact O-C 3.59Å; C354-N357 PolarHBondContact O-N 2.92Å; C354-N357 VanDerWaalsContact O-N 3.16Å; C354-V358 PolarHBondContact O-N 3.37Å; C354-C369 HydrophobicContact CB-CB 4.06Å; C354-C369 WeakPolarHBondContact CB-SG 3.36Å; C354-C369 WeakPolarHBondContact SG-CA 3.29Å; C354-C369 WeakPolarHBondContact SG-CB 3.42Å; C354-C369 CovalentContact SG-SG 2.04Å; C354-C369 PolarHBondContact SG-SG 2.94Å
355	F	95.1	Very high	93.6	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.289	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-66.9	-16.6	170.2	52.5	-108.7	0	0	0	114.1	P353 N357 D375 K377 V378	P353-F355 VanDerWaalsContact C-N 3.26Å; P353-F355 HydrophobicContact CB-CD1 3.82Å; P353-F355 HydrophobicContact CB-CD2 4.32Å; P353-F355 HydrophobicContact CB-CE1 3.28Å; P353-F355 HydrophobicContact CB-CE2 3.88Å; P353-F355 HydrophobicContact CB-CG 4.32Å; P353-F355 HydrophobicContact CB-CZ 3.33Å; P353-F355 HydrophobicContact CG-CE1 4.16Å; P353-F355 HydrophobicContact CG-CE2 4.41Å; P353-F355 HydrophobicContact CG-CZ 3.81Å; P353-F355 PolarHBondContact O-N 3.02Å; P353-F355 VanDerWaalsContact O-N 3.17Å; F355-N357 PolarHBondContact O-N 3.09Å; F355-D375 VanDerWaalsContact CB-O 3.26Å; F355-D375 WeakPolarHBondContact CB-O 3.43Å; F355-K377 HydrophobicContact CD2-CB 4.12Å; F355-K377 HydrophobicContact CD2-CG 3.58Å; F355-K377 HydrophobicContact CE2-CG 4.11Å; F355-K377 HydrophobicContact CG-CG 4.42Å; F355-K377 WeakPolarHBondContact O-CB 3.43Å; F355-K377 PolarHBondContact O-N 3.39Å; F355-V378 PolarHBondContact O-N 3.21Å
356	W	96.6	Very high	93.2	Very high	15 Å²	15	38.6 Å²	38.6	6%	0.057	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-77.9	-3.7	172.3	-76.1	118.5	0	0	0	113.8	T249 E253 L254 V270 P353 C354 K377 V378	T249-W356 HydrophobicContact CG2-CH2 3.8Å; T249-W356 HydrophobicContact CG2-CZ3 3.74Å; E253-W356 HydrophobicContact CB-CH2 3.6Å; E253-W356 HydrophobicContact CB-CZ2 3.99Å; L254-W356 HydrophobicContact CB-CD2 4.41Å; L254-W356 HydrophobicContact CB-CE3 3.84Å; L254-W356 HydrophobicContact CB-CH2 3.84Å; L254-W356 HydrophobicContact CB-CZ2 4.35Å; L254-W356 HydrophobicContact CB-CZ3 3.55Å; L254-W356 HydrophobicContact CD1-CB 4.47Å; L254-W356 HydrophobicContact CD1-CD2 3.76Å; L254-W356 HydrophobicContact CD1-CE3 3.83Å; L254-W356 HydrophobicContact CD1-CG 4.06Å; L254-W356 HydrophobicContact CD1-CZ3 4.42Å; L254-W356 HydrophobicContact CD2-CE3 4.12Å; L254-W356 HydrophobicContact CD2-CZ3 4.47Å; L254-W356 HydrophobicContact CG-CE3 4.12Å; L254-W356 HydrophobicContact CG-CZ3 4.33Å; V270-W356 HydrophobicContact CG2-CB 4.16Å; P353-W356 WeakPolarHBondContact O-CB 3.47Å; P353-W356 PolarHBondContact O-N 3.03Å; P353-W356 VanDerWaalsContact O-N 3.11Å; C354-W356 PolarHBondContact O-N 2.84Å; W356-K377 HydrophobicContact CD2-CB 4.17Å; W356-K377 HydrophobicContact CE3-CB 3.71Å; W356-K377 HydrophobicContact CE3-CG 4.46Å; W356-K377 HydrophobicContact CH2-CB 4.16Å; W356-K377 HydrophobicContact CH2-CD 4.14Å; W356-K377 HydrophobicContact CH2-CG 4.24Å; W356-K377 HydrophobicContact CZ2-CG 4.41Å; W356-K377 HydrophobicContact CZ3-CB 3.69Å; W356-K377 HydrophobicContact CZ3-CD 4.45Å; W356-K377 HydrophobicContact CZ3-CG 4.27Å; W356-V378 HydrophobicContact CE3-CG2 3.76Å; W356-V378 HydrophobicContact CZ3-CG2 4.17Å; W356-V378 VanDerWaalsContact O-CB 3.31Å; W356-V378 WeakPolarHBondContact O-CB 3.41Å
357	N	97.3	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-164.3	74.1	174	-174	-5.1	0	0	0	108.8	V270 Q273 N296 V299 C354 F355 Q359 H380	V270-N357 HydrophobicContact CB-CB 3.71Å; V270-N357 HydrophobicContact CG1-CB 4.04Å; V270-N357 HydrophobicContact CG2-CB 3.57Å; Q273-N357 PolarHBondContact NE2-O 3.31Å; Q273-N357 VanDerWaalsContact NE2-O 3.12Å; N296-N357 PolarHBondContact OD1-ND2 2.74Å; V299-N357 HydrophobicContact CB-CB 4.15Å; V299-N357 HydrophobicContact CG2-CB 3.96Å; C354-N357 CarbonylContact O-C 3.59Å; C354-N357 PolarHBondContact O-N 2.92Å; C354-N357 VanDerWaalsContact O-N 3.16Å; F355-N357 PolarHBondContact O-N 3.09Å; N357-Q359 PolarHBondContact O-N 3.03Å; N357-Q359 PolarHBondContact O-NE2 2.92Å; N357-H380 WeakPolarHBondContact OD1-CB 3.37Å; N357-H380 PolarHBondContact OD1-ND1 3.5Å
358	V	95.6	Very high	92.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	105.6	176.8	-177.9	0	0	0	0	108.6	C354 L360 C369 Y370 L376 V378 H380 F397	C354-V358 PolarHBondContact O-N 3.37Å; V358-L360 HydrophobicContact CG1-CD2 4.38Å; V358-C369 HydrophobicContact CG2-CB 4.25Å; V358-Y370 HydrophobicContact CG1-CD1 4.2Å; V358-Y370 HydrophobicContact CG1-CE1 3.89Å; V358-Y370 HydrophobicContact CG2-CD1 4.49Å; V358-L376 HydrophobicContact CG2-CD2 3.89Å; V358-V378 WeakPolarHBondContact CB-O 3.03Å; V358-V378 PolarHBondContact N-O 3.03Å; V358-H380 PolarHBondContact O-N 3.01Å; V358-F397 HydrophobicContact CG1-CZ 4.37Å
359	Q	94.9	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125	-170.1	-67.2	153.1	46	0	0	110.6	E271 N272 Q273 N296 N357 T364 S366	E271-Q359 PolarHBondContact O-NE2 3.44Å; E271-Q359 VanDerWaalsContact O-NE2 3.1Å; N272-Q359 PolarHBondContact OD1-OE1 3.02Å; Q273-Q359 HydrophobicContact CB-CB 4.3Å; Q273-Q359 HydrophobicContact CG-CB 4.49Å; Q273-Q359 VanDerWaalsContact OE1-N 3.1Å; N296-Q359 HydrophobicContact CB-CG 4.34Å; N357-Q359 PolarHBondContact O-N 3.03Å; N357-Q359 PolarHBondContact O-NE2 2.92Å; Q359-T364 HydrophobicContact CB-CG2 3.89Å; Q359-T364 VanDerWaalsContact O-CB 3.24Å; Q359-T364 WeakPolarHBondContact O-CB 3.36Å; Q359-T364 WeakPolarHBondContact O-CG2 3.16Å; Q359-T364 PolarHBondContact O-OG1 2.82Å; Q359-T364 VanDerWaalsContact O-OG1 3.09Å; Q359-S366 WeakPolarHBondContact O-CB 3.41Å
360	L	92.3	Very high	91	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.204	C	C	.	.			trans	-108.4	102.8	-176.8	-59.4	-175.9	0	0	0	111.9	V358 I379 H380 W381 N382 S383 V389 F397	V358-L360 HydrophobicContact CG1-CD2 4.38Å; L360-I379 HydrophobicContact CD1-CG2 3.43Å; L360-I379 VanDerWaalsContact CD1-CG2 3.43Å; L360-I379 HydrophobicContact CG-CG2 4.1Å; L360-H380 WeakPolarHBondContact CB-O 3.11Å; L360-H380 PolarHBondContact N-O 3.49Å; L360-W381 HydrophobicContact CB-CE3 4.13Å; L360-W381 HydrophobicContact CB-CZ3 4.47Å; L360-W381 HydrophobicContact CD1-CD2 3.84Å; L360-W381 HydrophobicContact CD1-CE3 3.68Å; L360-W381 HydrophobicContact CD1-CH2 3.71Å; L360-W381 HydrophobicContact CD1-CZ2 3.87Å; L360-W381 HydrophobicContact CD1-CZ3 3.62Å; L360-N382 VanDerWaalsContact C-OD1 3.23Å; L360-N382 PolarHBondContact N-OD1 3.07Å; L360-N382 PolarHBondContact O-OD1 3.16Å; L360-N382 VanDerWaalsContact O-OD1 3.05Å; L360-S383 WeakPolarHBondContact O-CB 3.38Å; L360-V389 HydrophobicContact CB-CG2 4.28Å; L360-F397 HydrophobicContact CD1-CB 3.86Å; L360-F397 HydrophobicContact CD1-CD2 3.8Å; L360-F397 HydrophobicContact CD1-CE2 4.48Å; L360-F397 HydrophobicContact CD1-CG 3.83Å; L360-F397 HydrophobicContact CD2-CD2 3.79Å; L360-F397 HydrophobicContact CD2-CE2 3.71Å; L360-F397 HydrophobicContact CD2-CZ 4.35Å; L360-F397 HydrophobicContact CG-CD2 4.48Å
361	S	87.1	Confident	90.2	Very high	18 Å²	18	50.9 Å²	50.9	13%	0.126	24%	0.236	C	C	.	.	S	Bend	trans	-141.5	175.2	170.1	82.2	0	0	0	0	111.6	H363 T364	S361-H363 PolarHBondContact O-N 3.11Å; S361-H363 PolarHBondContact OG-N 2.69Å; S361-T364 PolarHBondContact N-OG1 3.08Å; S361-T364 PolarHBondContact O-OG1 3.16Å; S361-T364 WeakPolarHBondContact OG-CG2 3.45Å; S361-T364 PolarHBondContact OG-N 3.2Å; S361-T364 PolarHBondContact OG-OG1 2.85Å
362	D	81.3	Confident	89.1	Confident	56 Å²	56	51 Å²	51	30%	0.299	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.9	176.4	-65.8	-19.8	0	0	0	113.3	K385 V389 K390	D362-K385 WeakPolarHBondContact OD2-CD 3.41Å; D362-K385 WeakPolarHBondContact OD2-CE 3.45Å; D362-K385 IonicContact OD2-NZ 3.44Å; D362-K385 PolarHBondContact OD2-NZ 3.16Å; D362-V389 WeakPolarHBondContact OD1-CA 3.46Å; D362-K390 PolarHBondContact OD1-N 2.94Å
363	H	83.2	Confident	87.9	Confident	129 Å²	129	54.9 Å²	54.9	60%	0.597	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	11.4	-175	-57.3	-59.3	0	0	0	113.5	S274 L281 S361	S274-H363 WeakPolarHBondContact CB-O 3.49Å; L281-H363 HydrophobicContact CD2-CB 4.35Å; S361-H363 PolarHBondContact O-N 3.11Å; S361-H363 PolarHBondContact OG-N 2.69Å
364	T	84.9	Confident	87.1	Confident	13 Å²	13	56.9 Å²	56.9	8%	0.08	28%	0.279	C	S	.	.			trans	-90.3	145.5	179.3	41.6	0	0	0	0	111.8	Q273 Q359 S361 S366	Q273-T364 HydrophobicContact CB-CG2 4.18Å; Q273-T364 CarbonylContact O-C 3.53Å; Q273-T364 VanDerWaalsContact O-CA 3.31Å; Q273-T364 WeakPolarHBondContact O-CA 3.38Å; Q359-T364 HydrophobicContact CB-CG2 3.89Å; Q359-T364 VanDerWaalsContact O-CB 3.24Å; Q359-T364 WeakPolarHBondContact O-CB 3.36Å; Q359-T364 WeakPolarHBondContact O-CG2 3.16Å; Q359-T364 PolarHBondContact O-OG1 2.82Å; Q359-T364 VanDerWaalsContact O-OG1 3.09Å; S361-T364 PolarHBondContact N-OG1 3.08Å; S361-T364 PolarHBondContact O-OG1 3.16Å; S361-T364 WeakPolarHBondContact OG-CG2 3.45Å; S361-T364 PolarHBondContact OG-N 3.2Å; S361-T364 PolarHBondContact OG-OG1 2.85Å; T364-S366 VanDerWaalsContact C-N 3.29Å; T364-S366 PolarHBondContact O-N 3.21Å
365	R	86.7	Confident	86.4	Confident	90 Å²	90	57.8 Å²	57.8	34%	0.34	28%	0.281	S	S	.	.			trans	-94.6	42.1	175.8	-55.5	177.9	-175.2	-158.9	-0	112.2	Q273 D275 E367 Q368	Q273-R365 PolarHBondContact O-N 3.19Å; D275-R365 IonicContact OD1-CZ 3.97Å; D275-R365 IonicContact OD1-NH2 2.96Å; D275-R365 PolarHBondContact OD1-NH2 2.81Å; D275-R365 IonicContact OD2-CZ 3.98Å; D275-R365 IonicContact OD2-NE 3.67Å; D275-R365 IonicContact OD2-NH2 3.84Å; D275-R365 PolarHBondContact OD2-NH2 3.25Å; R365-E367 VanDerWaalsContact C-OE2 3.25Å; R365-E367 PolarHBondContact O-N 3Å; R365-Q368 HydrophobicContact CB-CG 4.34Å; R365-Q368 WeakPolarHBondContact O-CB 3.42Å; R365-Q368 PolarHBondContact O-N 3.33Å; R365-Q368 VanDerWaalsContact O-N 3.13Å
366	S	87.4	Confident	86	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.4	-30.5	-170.8	60.4	0	0	0	0	114.1	Q359 T364 Q368 C369 Y370 N391	Q359-S366 WeakPolarHBondContact O-CB 3.41Å; T364-S366 VanDerWaalsContact C-N 3.29Å; T364-S366 PolarHBondContact O-N 3.21Å; S366-Q368 PolarHBondContact O-N 3.32Å; S366-Q368 VanDerWaalsContact O-N 3.09Å; S366-C369 WeakPolarHBondContact O-CB 3.4Å; S366-C369 PolarHBondContact O-N 3.14Å; S366-Y370 WeakPolarHBondContact O-CD1 3.46Å; S366-Y370 WeakPolarHBondContact O-CE1 3.38Å; S366-N391 PolarHBondContact OG-ND2 3.25Å
367	E	84.6	Confident	85.9	Confident	83 Å²	83	56.1 Å²	56.1	39%	0.388	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.4	-12.2	179	67.6	-72.3	166.8	0	0	113.7	R365 C369	R365-E367 VanDerWaalsContact C-OE2 3.25Å; R365-E367 PolarHBondContact O-N 3Å; E367-C369 VanDerWaalsContact C-N 3.29Å
368	Q	87.2	Confident	85.8	Confident	130 Å²	130	56.1 Å²	56.1	61%	0.607	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-83.2	-9.2	174.8	-57.3	-177	6.2	0	0	112.3	R365 S366	R365-Q368 HydrophobicContact CB-CG 4.34Å; R365-Q368 WeakPolarHBondContact O-CB 3.42Å; R365-Q368 PolarHBondContact O-N 3.33Å; R365-Q368 VanDerWaalsContact O-N 3.13Å; S366-Q368 PolarHBondContact O-N 3.32Å; S366-Q368 VanDerWaalsContact O-N 3.09Å
369	C	88.9	Confident	85.9	Confident	14 Å²	14	56.2 Å²	56.2	10%	0.095	28%	0.276	C	S	.	.	S	Bend	trans	-96	-10.4	-172.9	-69.6	0	0	0	0	115.6	Q273 C354 V358 S366 E367	Q273-C369 PolarHBondContact NE2-SG 3.3Å; C354-C369 HydrophobicContact CB-CB 4.06Å; C354-C369 WeakPolarHBondContact CB-SG 3.36Å; C354-C369 WeakPolarHBondContact SG-CA 3.29Å; C354-C369 WeakPolarHBondContact SG-CB 3.42Å; C354-C369 CovalentContact SG-SG 2.04Å; C354-C369 PolarHBondContact SG-SG 2.94Å; V358-C369 HydrophobicContact CG2-CB 4.25Å; S366-C369 WeakPolarHBondContact O-CB 3.4Å; S366-C369 PolarHBondContact O-N 3.14Å; E367-C369 VanDerWaalsContact C-N 3.29Å
370	Y	83.6	Confident	85.9	Confident	21 Å²	21	56.3 Å²	56.3	8%	0.082	28%	0.276	C	S	.	.			trans	-147.3	143.6	-179.4	53.4	-86.3	0	0	0	108.8	V358 S366 L376 H393 F397	V358-Y370 HydrophobicContact CG1-CD1 4.2Å; V358-Y370 HydrophobicContact CG1-CE1 3.89Å; V358-Y370 HydrophobicContact CG2-CD1 4.49Å; S366-Y370 WeakPolarHBondContact O-CD1 3.46Å; S366-Y370 WeakPolarHBondContact O-CE1 3.38Å; Y370-L376 HydrophobicContact CD1-CD2 3.44Å; Y370-L376 VanDerWaalsContact CD1-CD2 3.44Å; Y370-L376 HydrophobicContact CD1-CG 4.49Å; Y370-L376 HydrophobicContact CD2-CD2 4.29Å; Y370-L376 HydrophobicContact CE1-CD2 4.08Å; Y370-L376 HydrophobicContact CG-CD2 3.57Å; Y370-L376 HydrophobicContact CG-CG 4.16Å; Y370-H393 HydrophobicContact CE2-CB 4.48Å; Y370-H393 AromaticContact CE2-CD2 3.67Å; Y370-H393 AromaticContact CZ-CD2 3.9Å; Y370-H393 PolarHBondContact OH-CD2 3.29Å; Y370-H393 VanDerWaalsContact OH-CD2 3.23Å; Y370-F397 HydrophobicContact CE1-CE2 4.47Å; Y370-F397 AromaticContact CE1-CZ 3.7Å; Y370-F397 HydrophobicContact CE1-CZ 3.7Å; Y370-F397 HydrophobicContact CE2-CZ 4.3Å; Y370-F397 AromaticContact CZ-CZ 3.54Å; Y370-F397 WeakPolarHBondContact OH-CE2 3.4Å; Y370-F397 WeakPolarHBondContact OH-CZ 3.46Å
371	R	80.5	Confident	86	Confident	229 Å²	229	56.4 Å²	56.4	86%	0.864	28%	0.276	S	S	*	.	S	Bend	trans	-99.8	-44.2	169.2	-65.6	-178	177.8	-175.7	-0.1	109.6	D375	R371-D375 PolarHBondContact N-OD2 3.43Å
372	D	76.5	Confident	86.2	Confident	106 Å²	106	57.1 Å²	57.1	57%	0.567	28%	0.279	S	S	*	.	S	Bend	trans	-123.8	162.1	179.7	-65.7	-56.9	0	0	0	111.3	S374 D375	D372-S374 PolarHBondContact O-N 2.97Å; D372-D375 PolarHBondContact N-OD2 3.17Å; D372-D375 VanDerWaalsContact N-OD2 3.08Å; D372-D375 WeakPolarHBondContact O-CB 3.43Å; D372-D375 PolarHBondContact O-N 2.92Å
373	V	71.5	Confident	86.5	Confident	86 Å²	86	55.1 Å²	55.1	52%	0.521	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31	-179.9	171.9	0	0	0	0	112.2	D375 L376 F396	V373-D375 PolarHBondContact O-N 3.48Å; V373-L376 WeakPolarHBondContact O-CB 3.45Å; V373-L376 PolarHBondContact O-N 3.47Å; V373-L376 VanDerWaalsContact O-N 3.17Å; V373-F396 HydrophobicContact CB-CE2 4.47Å; V373-F396 HydrophobicContact CB-CZ 4.27Å; V373-F396 HydrophobicContact CG1-CE1 4.11Å; V373-F396 HydrophobicContact CG1-CE2 3.66Å; V373-F396 HydrophobicContact CG1-CZ 3.27Å; V373-F396 HydrophobicContact CG2-CD2 4.31Å; V373-F396 HydrophobicContact CG2-CE1 4.43Å; V373-F396 HydrophobicContact CG2-CE2 3.91Å; V373-F396 HydrophobicContact CG2-CZ 4.01Å
374	S	78.3	Confident	86.7	Confident	96 Å²	96	53.4 Å²	53.4	67%	0.671	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.2	177	50.5	0	0	0	0	114.2	D372 L376	D372-S374 PolarHBondContact O-N 2.97Å; S374-L376 VanDerWaalsContact C-N 3.31Å
375	D	80.7	Confident	86.9	Confident	60 Å²	60	58.1 Å²	58.1	32%	0.321	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-79.1	-18.1	178.1	-58.5	-29.2	0	0	0	112	F355 R371 D372 V373 K377	F355-D375 VanDerWaalsContact CB-O 3.26Å; F355-D375 WeakPolarHBondContact CB-O 3.43Å; R371-D375 PolarHBondContact N-OD2 3.43Å; D372-D375 PolarHBondContact N-OD2 3.17Å; D372-D375 VanDerWaalsContact N-OD2 3.08Å; D372-D375 WeakPolarHBondContact O-CB 3.43Å; D372-D375 PolarHBondContact O-N 2.92Å; V373-D375 PolarHBondContact O-N 3.48Å; D375-K377 PolarHBondContact O-N 2.83Å
376	L	85.9	Confident	87	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.042	29%	0.286	C	S	.	.			trans	-74.9	124	-176.1	-67.2	170.3	0	0	0	110.8	V358 Y370 V373 S374 F396 F397	V358-L376 HydrophobicContact CG2-CD2 3.89Å; Y370-L376 HydrophobicContact CD1-CD2 3.44Å; Y370-L376 VanDerWaalsContact CD1-CD2 3.44Å; Y370-L376 HydrophobicContact CD1-CG 4.49Å; Y370-L376 HydrophobicContact CD2-CD2 4.29Å; Y370-L376 HydrophobicContact CE1-CD2 4.08Å; Y370-L376 HydrophobicContact CG-CD2 3.57Å; Y370-L376 HydrophobicContact CG-CG 4.16Å; V373-L376 WeakPolarHBondContact O-CB 3.45Å; V373-L376 PolarHBondContact O-N 3.47Å; V373-L376 VanDerWaalsContact O-N 3.17Å; S374-L376 VanDerWaalsContact C-N 3.31Å; L376-F396 HydrophobicContact CD1-CD1 4.11Å; L376-F396 HydrophobicContact CD1-CE1 3.45Å; L376-F396 VanDerWaalsContact CD1-CE1 3.45Å; L376-F396 HydrophobicContact CD1-CZ 4.28Å; L376-F397 HydrophobicContact CD1-CE1 3.68Å; L376-F397 HydrophobicContact CD1-CZ 4.44Å; L376-F397 HydrophobicContact CD2-CE1 3.95Å; L376-F397 HydrophobicContact CD2-CZ 4.34Å; L376-F397 HydrophobicContact CG-CE1 4.49Å
377	K	94.7	Very high	87.1	Confident	39 Å²	39	59.1 Å²	59.1	17%	0.17	30%	0.297	C	S	.	.			trans	-112.4	-48.5	179	-61.6	-72	174	170.7	0	111.3	A248 T249 E253 F355 W356 D375	A248-K377 PolarHBondContact N-O 2.91Å; T249-K377 HydrophobicContact CG2-CB 3.91Å; T249-K377 HydrophobicContact CG2-CD 3.3Å; T249-K377 HydrophobicContact CG2-CG 4.2Å; T249-K377 PolarHBondContact OG1-NZ 3.25Å; E253-K377 IonicContact OE1-NZ 2.98Å; E253-K377 PolarHBondContact OE1-NZ 2.96Å; E253-K377 IonicContact OE2-NZ 2.89Å; E253-K377 PolarHBondContact OE2-NZ 3.48Å; F355-K377 HydrophobicContact CD2-CB 4.12Å; F355-K377 HydrophobicContact CD2-CG 3.58Å; F355-K377 HydrophobicContact CE2-CG 4.11Å; F355-K377 HydrophobicContact CG-CG 4.42Å; F355-K377 WeakPolarHBondContact O-CB 3.43Å; F355-K377 PolarHBondContact O-N 3.39Å; W356-K377 HydrophobicContact CD2-CB 4.17Å; W356-K377 HydrophobicContact CE3-CB 3.71Å; W356-K377 HydrophobicContact CE3-CG 4.46Å; W356-K377 HydrophobicContact CH2-CB 4.16Å; W356-K377 HydrophobicContact CH2-CD 4.14Å; W356-K377 HydrophobicContact CH2-CG 4.24Å; W356-K377 HydrophobicContact CZ2-CG 4.41Å; W356-K377 HydrophobicContact CZ3-CB 3.69Å; W356-K377 HydrophobicContact CZ3-CD 4.45Å; W356-K377 HydrophobicContact CZ3-CG 4.27Å; D375-K377 PolarHBondContact O-N 2.83Å
378	V	96.9	Very high	87.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	127.6	-177.5	-176.6	0	0	0	0	110.7	I245 F247 V299 F355 W356 V358	I245-V378 HydrophobicContact CD1-CG1 4.21Å; I245-V378 HydrophobicContact CG2-CG1 3.33Å; F247-V378 HydrophobicContact CD1-CG2 3.96Å; F247-V378 HydrophobicContact CE1-CG2 3.71Å; F247-V378 HydrophobicContact CE2-CG1 4.35Å; F247-V378 HydrophobicContact CE2-CG2 4.3Å; F247-V378 HydrophobicContact CG-CG2 4.36Å; F247-V378 HydrophobicContact CZ-CG2 3.9Å; V299-V378 HydrophobicContact CG2-CG1 4.03Å; F355-V378 PolarHBondContact O-N 3.21Å; W356-V378 HydrophobicContact CE3-CG2 3.76Å; W356-V378 HydrophobicContact CZ3-CG2 4.17Å; W356-V378 VanDerWaalsContact O-CB 3.31Å; W356-V378 WeakPolarHBondContact O-CB 3.41Å; V358-V378 WeakPolarHBondContact CB-O 3.03Å; V358-V378 PolarHBondContact N-O 3.03Å
379	I	95.9	Very high	87.3	Confident	2 Å²	2	59 Å²	59	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	178.4	-60.4	80.6	0	0	0	108.7	I245 T246 A248 L360 F397 L400	I245-I379 CarbonylContact C-O 3.55Å; I245-I379 WeakPolarHBondContact CA-O 3.3Å; T246-I379 PolarHBondContact N-O 3.32Å; T246-I379 PolarHBondContact O-N 3.37Å; A248-I379 HydrophobicContact CB-CD1 4.22Å; L360-I379 HydrophobicContact CD1-CG2 3.43Å; L360-I379 VanDerWaalsContact CD1-CG2 3.43Å; L360-I379 HydrophobicContact CG-CG2 4.1Å; I379-F397 HydrophobicContact CG1-CD1 3.76Å; I379-F397 HydrophobicContact CG1-CE1 3.96Å; I379-F397 HydrophobicContact CG2-CB 4.5Å; I379-F397 HydrophobicContact CG2-CD1 4.08Å; I379-F397 HydrophobicContact CG2-CG 4.41Å; I379-L400 HydrophobicContact CD1-CD2 3.59Å; I379-L400 HydrophobicContact CG1-CD2 4.41Å
380	H	96.3	Very high	87.1	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.7	-176.4	-175.2	-174.3	0	0	0	111.7	D242 D244 I245 N296 N357 V358 L360 N382	D242-H380 IonicContact OD2-CE1 3.75Å; D242-H380 IonicContact OD2-NE2 3.29Å; D244-H380 IonicContact OD1-CD2 3.58Å; D244-H380 PolarHBondContact OD1-CD2 3.26Å; D244-H380 VanDerWaalsContact OD1-CD2 3.3Å; D244-H380 IonicContact OD1-NE2 2.99Å; D244-H380 PolarHBondContact OD1-NE2 3.09Å; I245-H380 HydrophobicContact CD1-CB 3.41Å; I245-H380 VanDerWaalsContact CD1-CB 3.41Å; N296-H380 PolarHBondContact OD1-CE1 3.06Å; N296-H380 PolarHBondContact OD1-ND1 2.85Å; N296-H380 VanDerWaalsContact OD1-ND1 3.12Å; N357-H380 WeakPolarHBondContact OD1-CB 3.37Å; N357-H380 PolarHBondContact OD1-ND1 3.5Å; V358-H380 PolarHBondContact O-N 3.01Å; L360-H380 WeakPolarHBondContact CB-O 3.11Å; L360-H380 PolarHBondContact N-O 3.49Å; H380-N382 WeakPolarHBondContact NE2-CB 3.43Å; H380-N382 PolarHBondContact O-N 3.03Å
381	W	94.2	Very high	87.1	Confident	3 Å²	3	66.9 Å²	66.9	1%	0.011	32%	0.322	C	S	.	.			trans	-83.6	50.4	177.8	-62.6	97.4	0	0	0	113	D244 L360 S383 K386 L387 V389 V394 F397 R398 Y401	D244-W381 HydrophobicContact CB-CB 4.3Å; D244-W381 PolarHBondContact O-N 3.37Å; L360-W381 HydrophobicContact CB-CE3 4.13Å; L360-W381 HydrophobicContact CB-CZ3 4.47Å; L360-W381 HydrophobicContact CD1-CD2 3.84Å; L360-W381 HydrophobicContact CD1-CE3 3.68Å; L360-W381 HydrophobicContact CD1-CH2 3.71Å; L360-W381 HydrophobicContact CD1-CZ2 3.87Å; L360-W381 HydrophobicContact CD1-CZ3 3.62Å; W381-S383 PolarHBondContact O-N 3.23Å; W381-K386 HydrophobicContact CB-CD 4.48Å; W381-K386 WeakPolarHBondContact O-CD 3.24Å; W381-L387 HydrophobicContact CD2-CD2 3.78Å; W381-L387 HydrophobicContact CE3-CD2 3.97Å; W381-L387 HydrophobicContact CG-CD2 4.46Å; W381-L387 HydrophobicContact CH2-CD2 3.77Å; W381-L387 HydrophobicContact CZ2-CD2 3.54Å; W381-L387 HydrophobicContact CZ3-CD2 3.98Å; W381-V389 HydrophobicContact CE3-CG2 4.1Å; W381-V389 HydrophobicContact CZ3-CG2 3.75Å; W381-V394 HydrophobicContact CH2-CG2 4.33Å; W381-V394 HydrophobicContact CZ3-CG2 4.33Å; W381-F397 HydrophobicContact CH2-CB 3.69Å; W381-F397 HydrophobicContact CZ2-CB 3.64Å; W381-R398 HydrophobicContact CH2-CG 3.78Å; W381-R398 HydrophobicContact CZ2-CG 4.44Å; W381-Y401 AromaticContact NE1-CD2 3.74Å
382	N	90.1	Very high	87.2	Confident	34 Å²	34	64.3 Å²	64.3	18%	0.182	32%	0.317	C	S	.	.			trans	-64.7	-13	-168.8	65.6	-37	0	0	0	115.6	L360 H380	L360-N382 VanDerWaalsContact C-OD1 3.23Å; L360-N382 PolarHBondContact N-OD1 3.07Å; L360-N382 PolarHBondContact O-OD1 3.16Å; L360-N382 VanDerWaalsContact O-OD1 3.05Å; H380-N382 WeakPolarHBondContact NE2-CB 3.43Å; H380-N382 PolarHBondContact O-N 3.03Å
383	S	89.3	Confident	87.7	Confident	13 Å²	13	62.4 Å²	62.4	9%	0.091	31%	0.305	C	S	.	.	S	Bend	trans	-75.4	143.3	175.5	179.1	0	0	0	0	112.5	L360 W381 K385 K386 V389	L360-S383 WeakPolarHBondContact O-CB 3.38Å; W381-S383 PolarHBondContact O-N 3.23Å; S383-K385 PolarHBondContact O-N 2.87Å; S383-K385 VanDerWaalsContact O-N 3.08Å; S383-K385 PolarHBondContact OG-N 3.15Å; S383-K385 VanDerWaalsContact OG-N 3.16Å; S383-K386 WeakPolarHBondContact O-CA 3.45Å; S383-K386 WeakPolarHBondContact O-CD 3.23Å; S383-K386 PolarHBondContact O-N 2.66Å; S383-V389 WeakPolarHBondContact OG-CG1 3.13Å
384	P	86.7	Confident	88.4	Confident	94 Å²	94	59.1 Å²	59.1	61%	0.61	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22	168.2	-24.2	34	0	0	0	113.8	Y216 K386	Y216-P384 HydrophobicContact CD1-CG 4.03Å; Y216-P384 HydrophobicContact CE1-CG 4.03Å; P384-K386 PolarHBondContact O-N 3.07Å
385	K	88.3	Confident	88.9	Confident	112 Å²	112	61.3 Å²	61.3	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.9	174.3	-65.3	-177.4	-177	175.4	0	112.6	D362 S383 L387 R388 V389	D362-K385 WeakPolarHBondContact OD2-CD 3.41Å; D362-K385 WeakPolarHBondContact OD2-CE 3.45Å; D362-K385 IonicContact OD2-NZ 3.44Å; D362-K385 PolarHBondContact OD2-NZ 3.16Å; S383-K385 PolarHBondContact O-N 2.87Å; S383-K385 VanDerWaalsContact O-N 3.08Å; S383-K385 PolarHBondContact OG-N 3.15Å; S383-K385 VanDerWaalsContact OG-N 3.16Å; K385-L387 PolarHBondContact O-N 3.28Å; K385-R388 HydrophobicContact CB-CB 4.24Å; K385-R388 VanDerWaalsContact O-CB 3.25Å; K385-R388 WeakPolarHBondContact O-CB 3.28Å; K385-R388 PolarHBondContact O-N 3.18Å; K385-V389 HydrophobicContact CB-CG1 3.99Å
386	K	90.3	Very high	89.3	Confident	63 Å²	63	62 Å²	62	27%	0.274	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	47.5	-123	-179.2	-57.1	-67	171.7	179	0	110.4	D244 W381 S383 P384 R388 V389	D244-K386 IonicContact OD2-NZ 2.67Å; D244-K386 PolarHBondContact OD2-NZ 3.22Å; W381-K386 HydrophobicContact CB-CD 4.48Å; W381-K386 WeakPolarHBondContact O-CD 3.24Å; S383-K386 WeakPolarHBondContact O-CA 3.45Å; S383-K386 WeakPolarHBondContact O-CD 3.23Å; S383-K386 PolarHBondContact O-N 2.66Å; P384-K386 PolarHBondContact O-N 3.07Å; K386-R388 PolarHBondContact O-N 3.22Å; K386-V389 WeakPolarHBondContact O-CG1 3.45Å; K386-V389 WeakPolarHBondContact O-CG2 3.48Å; K386-V389 PolarHBondContact O-N 3.29Å
387	L	88.3	Confident	89.6	Confident	47 Å²	47	61.8 Å²	61.8	25%	0.246	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-59.2	-18.9	179.3	-56.7	-178.1	0	0	0	113.5	W381 K385 V389 R398 Y401	W381-L387 HydrophobicContact CD2-CD2 3.78Å; W381-L387 HydrophobicContact CE3-CD2 3.97Å; W381-L387 HydrophobicContact CG-CD2 4.46Å; W381-L387 HydrophobicContact CH2-CD2 3.77Å; W381-L387 HydrophobicContact CZ2-CD2 3.54Å; W381-L387 HydrophobicContact CZ3-CD2 3.98Å; K385-L387 PolarHBondContact O-N 3.28Å; L387-V389 VanDerWaalsContact C-N 3.31Å; L387-V389 PolarHBondContact O-N 3.39Å; L387-R398 HydrophobicContact CB-CG 4.44Å; L387-R398 HydrophobicContact CD2-CG 4.42Å; L387-R398 PolarHBondContact O-NE 2.93Å; L387-R398 PolarHBondContact O-NH2 2.84Å; L387-Y401 HydrophobicContact CD1-CD1 3.77Å; L387-Y401 HydrophobicContact CD1-CE1 3.76Å; L387-Y401 HydrophobicContact CD2-CD1 3.65Å; L387-Y401 HydrophobicContact CD2-CE1 4.09Å; L387-Y401 HydrophobicContact CD2-CG 3.89Å; L387-Y401 HydrophobicContact CG-CD1 4.27Å; L387-Y401 HydrophobicContact CG-CE1 4.32Å
388	R	88.1	Confident	89.5	Confident	210 Å²	210	63.7 Å²	63.7	79%	0.792	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-82.6	2.7	-175.2	-57.5	176.2	60.8	-177.4	0.1	115	K385 K386	K385-R388 HydrophobicContact CB-CB 4.24Å; K385-R388 VanDerWaalsContact O-CB 3.25Å; K385-R388 WeakPolarHBondContact O-CB 3.28Å; K385-R388 PolarHBondContact O-N 3.18Å; K386-R388 PolarHBondContact O-N 3.22Å
389	V	87.6	Confident	89.3	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	31%	0.314	C	S	.	.			trans	-61.8	154.9	176.7	-65.8	0	0	0	0	112.4	L360 D362 W381 S383 K385 K386 L387 V394 R398	L360-V389 HydrophobicContact CB-CG2 4.28Å; D362-V389 WeakPolarHBondContact OD1-CA 3.46Å; W381-V389 HydrophobicContact CE3-CG2 4.1Å; W381-V389 HydrophobicContact CZ3-CG2 3.75Å; S383-V389 WeakPolarHBondContact OG-CG1 3.13Å; K385-V389 HydrophobicContact CB-CG1 3.99Å; K386-V389 WeakPolarHBondContact O-CG1 3.45Å; K386-V389 WeakPolarHBondContact O-CG2 3.48Å; K386-V389 PolarHBondContact O-N 3.29Å; L387-V389 VanDerWaalsContact C-N 3.31Å; L387-V389 PolarHBondContact O-N 3.39Å; V389-V394 HydrophobicContact CG2-CG2 4.28Å; V389-R398 PolarHBondContact O-NH2 3.34Å
390	K	84.8	Confident	89.2	Confident	178 Å²	178	69.8 Å²	69.8	77%	0.774	32%	0.322	S	S	*	.			trans	-95.2	119.2	171.6	-66.6	-174.5	179.7	-176.5	0	109.7	D362	D362-K390 PolarHBondContact OD1-N 2.94Å
391	N	84.6	Confident	89.1	Confident	23 Å²	23	71.2 Å²	71.2	12%	0.123	33%	0.328	C	S	.	.			trans	-147	147.7	175.9	-173.7	-79	0	0	0	109.8	S366 H393 V394	S366-N391 PolarHBondContact OG-ND2 3.25Å; N391-H393 PolarHBondContact O-N 2.7Å; N391-H393 PolarHBondContact OD1-N 2.92Å; N391-V394 HydrophobicContact CB-CB 3.89Å; N391-V394 HydrophobicContact CB-CG2 4.41Å; N391-V394 WeakPolarHBondContact O-CB 3.24Å; N391-V394 WeakPolarHBondContact O-CG1 3.49Å; N391-V394 PolarHBondContact O-N 3.31Å; N391-V394 VanDerWaalsContact O-N 3.15Å
392	K	83.1	Confident	89.2	Confident	174 Å²	174	73.9 Å²	73.9	76%	0.757	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-38	-179.7	-177.9	-177.3	171.8	-164	0	112.6
393	H	85.9	Confident	89.4	Confident	67 Å²	67	76.1 Å²	76.1	31%	0.31	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	22.6	-178.1	-59.5	-79.6	0	0	0	112.1	Y370 N391 E395 F396 F397	Y370-H393 HydrophobicContact CE2-CB 4.48Å; Y370-H393 AromaticContact CE2-CD2 3.67Å; Y370-H393 AromaticContact CZ-CD2 3.9Å; Y370-H393 PolarHBondContact OH-CD2 3.29Å; Y370-H393 VanDerWaalsContact OH-CD2 3.23Å; N391-H393 PolarHBondContact O-N 2.7Å; N391-H393 PolarHBondContact OD1-N 2.92Å; H393-E395 VanDerWaalsContact C-N 3.26Å; H393-E395 PolarHBondContact O-N 3.46Å; H393-F396 WeakPolarHBondContact O-CB 3.46Å; H393-F396 PolarHBondContact O-N 2.95Å; H393-F396 VanDerWaalsContact O-N 3.16Å; H393-F397 HydrophobicContact CB-CD2 4.34Å; H393-F397 HydrophobicContact CB-CE2 3.83Å; H393-F397 HydrophobicContact CB-CZ 4.34Å; H393-F397 WeakPolarHBondContact O-CD2 3.38Å; H393-F397 PolarHBondContact O-N 2.86Å
394	V	86.6	Confident	89.8	Confident	16 Å²	16	75.8 Å²	75.8	10%	0.097	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-35.2	-173.3	74	0	0	0	0	113.4	W381 V389 N391 F397 R398	W381-V394 HydrophobicContact CH2-CG2 4.33Å; W381-V394 HydrophobicContact CZ3-CG2 4.33Å; V389-V394 HydrophobicContact CG2-CG2 4.28Å; N391-V394 HydrophobicContact CB-CB 3.89Å; N391-V394 HydrophobicContact CB-CG2 4.41Å; N391-V394 WeakPolarHBondContact O-CB 3.24Å; N391-V394 WeakPolarHBondContact O-CG1 3.49Å; N391-V394 PolarHBondContact O-N 3.31Å; N391-V394 VanDerWaalsContact O-N 3.15Å; V394-F397 PolarHBondContact O-N 3.25Å; V394-R398 HydrophobicContact CG2-CG 4.23Å; V394-R398 WeakPolarHBondContact O-CB 3.24Å; V394-R398 VanDerWaalsContact O-CG 3.25Å; V394-R398 WeakPolarHBondContact O-CG 3.47Å; V394-R398 PolarHBondContact O-N 3.32Å
395	E	88.8	Confident	90.3	Very high	143 Å²	143	72 Å²	72	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-42.2	-179.8	-66	-178.4	169.3	0	0	111.4	H393 R398 N399	H393-E395 VanDerWaalsContact C-N 3.26Å; H393-E395 PolarHBondContact O-N 3.46Å; E395-R398 PolarHBondContact O-N 3.4Å; E395-N399 WeakPolarHBondContact O-CB 3.44Å; E395-N399 PolarHBondContact O-N 3.37Å; E395-N399 PolarHBondContact O-ND2 2.92Å; E395-N399 PolarHBondContact O-OD1 3.38Å
396	F	89.1	Confident	90.7	Very high	75 Å²	75	70.6 Å²	70.6	33%	0.329	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-50.1	174.3	173.2	-92.9	0	0	0	111.1	V373 L376 H393 R398 N399 L400	V373-F396 HydrophobicContact CB-CE2 4.47Å; V373-F396 HydrophobicContact CB-CZ 4.27Å; V373-F396 HydrophobicContact CG1-CE1 4.11Å; V373-F396 HydrophobicContact CG1-CE2 3.66Å; V373-F396 HydrophobicContact CG1-CZ 3.27Å; V373-F396 HydrophobicContact CG2-CD2 4.31Å; V373-F396 HydrophobicContact CG2-CE1 4.43Å; V373-F396 HydrophobicContact CG2-CE2 3.91Å; V373-F396 HydrophobicContact CG2-CZ 4.01Å; L376-F396 HydrophobicContact CD1-CD1 4.11Å; L376-F396 HydrophobicContact CD1-CE1 3.45Å; L376-F396 VanDerWaalsContact CD1-CE1 3.45Å; L376-F396 HydrophobicContact CD1-CZ 4.28Å; H393-F396 WeakPolarHBondContact O-CB 3.46Å; H393-F396 PolarHBondContact O-N 2.95Å; H393-F396 VanDerWaalsContact O-N 3.16Å; F396-R398 PolarHBondContact O-N 2.76Å; F396-N399 PolarHBondContact O-N 3.26Å; F396-L400 PolarHBondContact O-N 3.47Å
397	F	91.6	Very high	91	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-43.3	178.9	-62.5	-51	0	0	0	112.3	V358 L360 Y370 L376 I379 W381 H393 V394 N399 L400 Y401	V358-F397 HydrophobicContact CG1-CZ 4.37Å; L360-F397 HydrophobicContact CD1-CB 3.86Å; L360-F397 HydrophobicContact CD1-CD2 3.8Å; L360-F397 HydrophobicContact CD1-CE2 4.48Å; L360-F397 HydrophobicContact CD1-CG 3.83Å; L360-F397 HydrophobicContact CD2-CD2 3.79Å; L360-F397 HydrophobicContact CD2-CE2 3.71Å; L360-F397 HydrophobicContact CD2-CZ 4.35Å; L360-F397 HydrophobicContact CG-CD2 4.48Å; Y370-F397 HydrophobicContact CE1-CE2 4.47Å; Y370-F397 AromaticContact CE1-CZ 3.7Å; Y370-F397 HydrophobicContact CE1-CZ 3.7Å; Y370-F397 HydrophobicContact CE2-CZ 4.3Å; Y370-F397 AromaticContact CZ-CZ 3.54Å; Y370-F397 WeakPolarHBondContact OH-CE2 3.4Å; Y370-F397 WeakPolarHBondContact OH-CZ 3.46Å; L376-F397 HydrophobicContact CD1-CE1 3.68Å; L376-F397 HydrophobicContact CD1-CZ 4.44Å; L376-F397 HydrophobicContact CD2-CE1 3.95Å; L376-F397 HydrophobicContact CD2-CZ 4.34Å; L376-F397 HydrophobicContact CG-CE1 4.49Å; I379-F397 HydrophobicContact CG1-CD1 3.76Å; I379-F397 HydrophobicContact CG1-CE1 3.96Å; I379-F397 HydrophobicContact CG2-CB 4.5Å; I379-F397 HydrophobicContact CG2-CD1 4.08Å; I379-F397 HydrophobicContact CG2-CG 4.41Å; W381-F397 HydrophobicContact CH2-CB 3.69Å; W381-F397 HydrophobicContact CZ2-CB 3.64Å; H393-F397 HydrophobicContact CB-CD2 4.34Å; H393-F397 HydrophobicContact CB-CE2 3.83Å; H393-F397 HydrophobicContact CB-CZ 4.34Å; H393-F397 WeakPolarHBondContact O-CD2 3.38Å; H393-F397 PolarHBondContact O-N 2.86Å; V394-F397 PolarHBondContact O-N 3.25Å; F397-N399 VanDerWaalsContact C-N 3.35Å; F397-L400 PolarHBondContact O-N 3.08Å; F397-Y401 PolarHBondContact O-N 3.42Å
398	R	92.6	Very high	91.5	Very high	79 Å²	79	71.3 Å²	71.3	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-46.2	175.8	-77.3	175.6	-176.2	155.6	7	110.9	W381 L387 V389 V394 E395 F396 L400 Y401 L402	W381-R398 HydrophobicContact CH2-CG 3.78Å; W381-R398 HydrophobicContact CZ2-CG 4.44Å; L387-R398 HydrophobicContact CB-CG 4.44Å; L387-R398 HydrophobicContact CD2-CG 4.42Å; L387-R398 PolarHBondContact O-NE 2.93Å; L387-R398 PolarHBondContact O-NH2 2.84Å; V389-R398 PolarHBondContact O-NH2 3.34Å; V394-R398 HydrophobicContact CG2-CG 4.23Å; V394-R398 WeakPolarHBondContact O-CB 3.24Å; V394-R398 VanDerWaalsContact O-CG 3.25Å; V394-R398 WeakPolarHBondContact O-CG 3.47Å; V394-R398 PolarHBondContact O-N 3.32Å; E395-R398 PolarHBondContact O-N 3.4Å; F396-R398 PolarHBondContact O-N 2.76Å; R398-L400 VanDerWaalsContact C-N 3.32Å; R398-L400 PolarHBondContact O-N 3.34Å; R398-Y401 PolarHBondContact O-N 2.8Å; R398-L402 WeakPolarHBondContact O-CB 3.37Å; R398-L402 WeakPolarHBondContact O-CG 3.5Å; R398-L402 PolarHBondContact O-N 2.82Å
399	N	93	Very high	91.9	Very high	97 Å²	97	61.3 Å²	61.3	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-39.5	-179.8	-69.7	-13.2	0	0	0	111.6	E395 F396 F397 L402 T403	E395-N399 WeakPolarHBondContact O-CB 3.44Å; E395-N399 PolarHBondContact O-N 3.37Å; E395-N399 PolarHBondContact O-ND2 2.92Å; E395-N399 PolarHBondContact O-OD1 3.38Å; F396-N399 PolarHBondContact O-N 3.26Å; F397-N399 VanDerWaalsContact C-N 3.35Å; N399-L402 PolarHBondContact O-N 3.35Å; N399-T403 WeakPolarHBondContact O-CB 3.11Å; N399-T403 PolarHBondContact O-N 2.66Å; N399-T403 PolarHBondContact O-OG1 2.65Å
400	L	93	Very high	92.2	Very high	33 Å²	33	62 Å²	62	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-46.9	174.1	-177.2	63.7	0	0	0	111.8	T246 A248 I379 F396 F397 R398 T403 F404	T246-L400 HydrophobicContact CG2-CG 4.29Å; A248-L400 HydrophobicContact CB-CD2 4.2Å; I379-L400 HydrophobicContact CD1-CD2 3.59Å; I379-L400 HydrophobicContact CG1-CD2 4.41Å; F396-L400 PolarHBondContact O-N 3.47Å; F397-L400 PolarHBondContact O-N 3.08Å; R398-L400 VanDerWaalsContact C-N 3.32Å; R398-L400 PolarHBondContact O-N 3.34Å; L400-T403 WeakPolarHBondContact O-CB 3.47Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-F404 HydrophobicContact CD1-CD2 4.42Å; L400-F404 HydrophobicContact CD1-CE2 3.79Å; L400-F404 HydrophobicContact CG-CE2 4.32Å; L400-F404 WeakPolarHBondContact O-CD2 3.37Å; L400-F404 PolarHBondContact O-N 2.75Å
401	Y	95.3	Very high	92.7	Very high	32 Å²	32	58.5 Å²	58.5	13%	0.125	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-48.2	175.5	175	-91.2	0	0	0	111.8	T155 W381 L387 F397 R398 T403 F404 L405	T155-Y401 HydrophobicContact CG2-CD2 3.88Å; T155-Y401 HydrophobicContact CG2-CE2 3.62Å; W381-Y401 AromaticContact NE1-CD2 3.74Å; L387-Y401 HydrophobicContact CD1-CD1 3.77Å; L387-Y401 HydrophobicContact CD1-CE1 3.76Å; L387-Y401 HydrophobicContact CD2-CD1 3.65Å; L387-Y401 HydrophobicContact CD2-CE1 4.09Å; L387-Y401 HydrophobicContact CD2-CG 3.89Å; L387-Y401 HydrophobicContact CG-CD1 4.27Å; L387-Y401 HydrophobicContact CG-CE1 4.32Å; F397-Y401 PolarHBondContact O-N 3.42Å; R398-Y401 PolarHBondContact O-N 2.8Å; Y401-T403 VanDerWaalsContact C-N 3.25Å; Y401-T403 PolarHBondContact O-N 2.84Å; Y401-F404 PolarHBondContact O-N 3.41Å; Y401-L405 HydrophobicContact CD1-CB 4.49Å; Y401-L405 HydrophobicContact CE1-CB 4.22Å; Y401-L405 HydrophobicContact CE1-CD1 4.2Å; Y401-L405 HydrophobicContact CE1-CD2 3.95Å; Y401-L405 HydrophobicContact CE1-CG 4.35Å; Y401-L405 WeakPolarHBondContact O-CB 3.48Å; Y401-L405 PolarHBondContact O-N 3.18Å
402	L	95.4	Very high	93.2	Very high	58 Å²	58	57.9 Å²	57.9	30%	0.304	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-34.2	179.8	-71.5	173.5	0	0	0	111.9	R398 N399 F404 L405 E406	R398-L402 WeakPolarHBondContact O-CB 3.37Å; R398-L402 WeakPolarHBondContact O-CG 3.5Å; R398-L402 PolarHBondContact O-N 2.82Å; N399-L402 PolarHBondContact O-N 3.35Å; L402-F404 PolarHBondContact O-N 3.48Å; L402-L405 HydrophobicContact CD2-CD2 3.86Å; L402-L405 PolarHBondContact O-N 3.42Å; L402-E406 WeakPolarHBondContact O-CB 3.42Å; L402-E406 PolarHBondContact O-N 3.08Å
403	T	95.8	Very high	93.6	Very high	81 Å²	81	51.5 Å²	51.5	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-55.3	-51.9	173.8	-61.3	0	0	0	0	110.3	N399 L400 Y401 Y407	N399-T403 WeakPolarHBondContact O-CB 3.11Å; N399-T403 PolarHBondContact O-N 2.66Å; N399-T403 PolarHBondContact O-OG1 2.65Å; L400-T403 WeakPolarHBondContact O-CB 3.47Å; L400-T403 PolarHBondContact O-N 2.86Å; Y401-T403 VanDerWaalsContact C-N 3.25Å; Y401-T403 PolarHBondContact O-N 2.84Å; T403-Y407 WeakPolarHBondContact O-CA 3.13Å; T403-Y407 VanDerWaalsContact O-CB 3.24Å; T403-Y407 WeakPolarHBondContact O-CB 3.3Å; T403-Y407 PolarHBondContact O-N 3.13Å
404	F	97.4	Very high	93.7	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-75.6	-30.2	179.9	-66.9	-62.6	0	0	0	113.7	T155 K158 F162 H163 T246 L400 Y401 L402 E406	T155-F404 HydrophobicContact CG2-CB 3.93Å; K158-F404 WeakPolarHBondContact CD-O 3.47Å; K158-F404 PolarHBondContact NZ-O 3.22Å; F162-F404 HydrophobicContact CB-CD1 4.44Å; F162-F404 HydrophobicContact CB-CE1 3.63Å; F162-F404 HydrophobicContact CB-CZ 4.39Å; F162-F404 AromaticContact CD1-CE1 3.83Å; F162-F404 HydrophobicContact CD1-CE1 3.83Å; F162-F404 HydrophobicContact CD1-CZ 4.01Å; F162-F404 HydrophobicContact CD2-CE1 4.17Å; F162-F404 AromaticContact CG-CE1 3.62Å; F162-F404 HydrophobicContact CG-CE1 3.62Å; F162-F404 HydrophobicContact CG-CZ 4.26Å; H163-F404 AromaticContact NE2-CZ 3.75Å; T246-F404 HydrophobicContact CG2-CD2 3.69Å; T246-F404 HydrophobicContact CG2-CE2 4.08Å; L400-F404 HydrophobicContact CD1-CD2 4.42Å; L400-F404 HydrophobicContact CD1-CE2 3.79Å; L400-F404 HydrophobicContact CG-CE2 4.32Å; L400-F404 WeakPolarHBondContact O-CD2 3.37Å; L400-F404 PolarHBondContact O-N 2.75Å; Y401-F404 PolarHBondContact O-N 3.41Å; L402-F404 PolarHBondContact O-N 3.48Å; F404-E406 VanDerWaalsContact C-N 3.32Å; F404-E406 PolarHBondContact O-N 3.46Å
405	L	96.6	Very high	93.5	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-46.9	174.3	-173.9	72.1	0	0	0	110.7	T155 K158 Y401 L402 Q511	T155-L405 HydrophobicContact CG2-CB 4.33Å; T155-L405 VanDerWaalsContact OG1-CD1 3.25Å; T155-L405 WeakPolarHBondContact OG1-CD1 3.29Å; K158-L405 PolarHBondContact NZ-O 3.1Å; Y401-L405 HydrophobicContact CD1-CB 4.49Å; Y401-L405 HydrophobicContact CE1-CB 4.22Å; Y401-L405 HydrophobicContact CE1-CD1 4.2Å; Y401-L405 HydrophobicContact CE1-CD2 3.95Å; Y401-L405 HydrophobicContact CE1-CG 4.35Å; Y401-L405 WeakPolarHBondContact O-CB 3.48Å; Y401-L405 PolarHBondContact O-N 3.18Å; L402-L405 HydrophobicContact CD2-CD2 3.86Å; L402-L405 PolarHBondContact O-N 3.42Å; L405-Q511 HydrophobicContact CD1-CG 4.3Å; L405-Q511 HydrophobicContact CD2-CG 3.71Å; L405-Q511 HydrophobicContact CG-CG 3.7Å
406	E	96.8	Very high	93.3	Very high	83 Å²	83	60.5 Å²	60.5	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-92	-8.7	-176.8	-60.6	-173.7	171.2	0	0	113.7	L402 F404 D408 A508	L402-E406 WeakPolarHBondContact O-CB 3.42Å; L402-E406 PolarHBondContact O-N 3.08Å; F404-E406 VanDerWaalsContact C-N 3.32Å; F404-E406 PolarHBondContact O-N 3.46Å; E406-D408 PolarHBondContact O-N 3.41Å; E406-A508 HydrophobicContact CB-CB 4.1Å; E406-A508 HydrophobicContact CG-CB 4.21Å
407	Y	97.5	Very high	93.1	Very high	59 Å²	59	58.3 Å²	58.3	23%	0.231	28%	0.275	C	S	.	.	S	Bend	trans	-58.2	133	178.3	-167.9	-95.2	0	0	0	111	K158 F162 T403 G409 L411 L412	K158-Y407 WeakPolarHBondContact CE-O 3.25Å; K158-Y407 PolarHBondContact NZ-O 2.85Å; F162-Y407 HydrophobicContact CD2-CE1 4.36Å; F162-Y407 AromaticContact CD2-CE2 4Å; F162-Y407 HydrophobicContact CD2-CE2 4Å; F162-Y407 AromaticContact CD2-CZ 3.81Å; F162-Y407 AromaticContact CE2-CE2 3.82Å; F162-Y407 HydrophobicContact CE2-CE2 3.82Å; F162-Y407 AromaticContact CE2-CZ 3.93Å; T403-Y407 WeakPolarHBondContact O-CA 3.13Å; T403-Y407 VanDerWaalsContact O-CB 3.24Å; T403-Y407 WeakPolarHBondContact O-CB 3.3Å; T403-Y407 PolarHBondContact O-N 3.13Å; Y407-G409 PolarHBondContact O-N 2.96Å; Y407-G409 VanDerWaalsContact O-N 3.08Å; Y407-L411 HydrophobicContact CE1-CB 4.05Å; Y407-L411 HydrophobicContact CE1-CD1 4.27Å; Y407-L411 HydrophobicContact CE2-CD1 4.49Å; Y407-L412 HydrophobicContact CD1-CD1 4.39Å; Y407-L412 HydrophobicContact CE1-CD1 4.32Å; Y407-L412 HydrophobicContact CE1-CD2 4.15Å; Y407-L412 HydrophobicContact CE1-CG 3.99Å
408	D	97.1	Very high	92.5	Very high	66 Å²	66	60.3 Å²	60.3	35%	0.353	30%	0.297	S	S	.	.			trans	-66.2	109.5	176.2	-178.5	-2.9	0	0	0	110.2	E406 N410 L411	E406-D408 PolarHBondContact O-N 3.41Å; D408-N410 PolarHBondContact O-N 3.33Å; D408-N410 VanDerWaalsContact OD1-CB 3.3Å; D408-N410 WeakPolarHBondContact OD1-CB 3.27Å; D408-N410 PolarHBondContact OD1-N 2.81Å; D408-L411 HydrophobicContact CB-CD1 4.03Å; D408-L411 HydrophobicContact CB-CG 4.03Å; D408-L411 WeakPolarHBondContact O-CB 3.26Å; D408-L411 PolarHBondContact O-N 2.89Å
409	G	96.8	Very high	92	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63.8	-24.7	-179.4	0	0	0	0	0	113.4	W189 Y407 L411 L412 D507	W189-G409 PolarHBondContact NE1-O 2.92Å; Y407-G409 PolarHBondContact O-N 2.96Å; Y407-G409 VanDerWaalsContact O-N 3.08Å; G409-L411 PolarHBondContact O-N 3.33Å; G409-L412 WeakPolarHBondContact O-CB 3.39Å; G409-L412 PolarHBondContact O-N 3.35Å; G409-L412 VanDerWaalsContact O-N 3.07Å; G409-D507 PolarHBondContact N-OD2 3.41Å
410	N	95.3	Very high	90.9	Very high	16 Å²	16	59.1 Å²	59.1	9%	0.086	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-66.5	-26	-178.9	-63.8	-28.6	0	0	0	111.8	D408 L412 R413 K536	D408-N410 PolarHBondContact O-N 3.33Å; D408-N410 VanDerWaalsContact OD1-CB 3.3Å; D408-N410 WeakPolarHBondContact OD1-CB 3.27Å; D408-N410 PolarHBondContact OD1-N 2.81Å; N410-L412 PolarHBondContact O-N 3.46Å; N410-L412 VanDerWaalsContact O-N 3.16Å; N410-R413 WeakPolarHBondContact O-CB 3.33Å; N410-R413 WeakPolarHBondContact O-CG 3.38Å; N410-R413 PolarHBondContact O-N 2.96Å; N410-R413 VanDerWaalsContact O-N 3.13Å; N410-K536 PolarHBondContact ND2-O 2.91Å; N410-K536 VanDerWaalsContact ND2-O 3.1Å
411	L	95.3	Very high	89.4	Confident	103 Å²	103	60.9 Å²	60.9	54%	0.539	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.2	174.4	-60.2	178.1	0	0	0	113.1	Y407 D408 G409 R413	Y407-L411 HydrophobicContact CE1-CB 4.05Å; Y407-L411 HydrophobicContact CE1-CD1 4.27Å; Y407-L411 HydrophobicContact CE2-CD1 4.49Å; D408-L411 HydrophobicContact CB-CD1 4.03Å; D408-L411 HydrophobicContact CB-CG 4.03Å; D408-L411 WeakPolarHBondContact O-CB 3.26Å; D408-L411 PolarHBondContact O-N 2.89Å; G409-L411 PolarHBondContact O-N 3.33Å; L411-R413 VanDerWaalsContact C-N 3.29Å; L411-R413 PolarHBondContact O-N 3.26Å
412	L	95.1	Very high	87.6	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.052	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-82.5	-4.2	179.6	-61.6	166.8	0	0	0	113.2	K158 L161 F162 W189 V191 Y407 G409 N410 R414	K158-L412 HydrophobicContact CB-CD1 4.24Å; K158-L412 HydrophobicContact CG-CD1 4.02Å; L161-L412 HydrophobicContact CB-CD1 3.99Å; L161-L412 HydrophobicContact CB-CD2 4.1Å; L161-L412 HydrophobicContact CB-CG 4.48Å; L161-L412 HydrophobicContact CD1-CB 4.48Å; L161-L412 HydrophobicContact CD1-CD1 4.21Å; F162-L412 HydrophobicContact CB-CD2 4.43Å; W189-L412 HydrophobicContact CZ2-CD1 3.8Å; V191-L412 WeakPolarHBondContact CG1-O 3.28Å; Y407-L412 HydrophobicContact CD1-CD1 4.39Å; Y407-L412 HydrophobicContact CE1-CD1 4.32Å; Y407-L412 HydrophobicContact CE1-CD2 4.15Å; Y407-L412 HydrophobicContact CE1-CG 3.99Å; G409-L412 WeakPolarHBondContact O-CB 3.39Å; G409-L412 PolarHBondContact O-N 3.35Å; G409-L412 VanDerWaalsContact O-N 3.07Å; N410-L412 PolarHBondContact O-N 3.46Å; N410-L412 VanDerWaalsContact O-N 3.16Å; L412-R414 PolarHBondContact O-N 3.37Å
413	R	91.4	Very high	85.8	Confident	40 Å²	40	67.6 Å²	67.6	15%	0.151	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-72.7	-14	173.5	-69.4	179.6	173.3	170.7	-1.8	113.7	T188 W189 P192 N410 L411 E415 V453 R455 E537	T188-R413 PolarHBondContact O-NH2 3.34Å; W189-R413 WeakPolarHBondContact O-CD 3.39Å; W189-R413 WeakPolarHBondContact O-CG 3.33Å; W189-R413 PolarHBondContact O-NE 3.33Å; P192-R413 WeakPolarHBondContact CD-O 3.32Å; P192-R413 WeakPolarHBondContact CG-O 3.39Å; N410-R413 WeakPolarHBondContact O-CB 3.33Å; N410-R413 WeakPolarHBondContact O-CG 3.38Å; N410-R413 PolarHBondContact O-N 2.96Å; N410-R413 VanDerWaalsContact O-N 3.13Å; L411-R413 VanDerWaalsContact C-N 3.29Å; L411-R413 PolarHBondContact O-N 3.26Å; R413-E415 PolarHBondContact O-N 3.23Å; R413-V453 PolarHBondContact NH1-O 3.35Å; R413-V453 VanDerWaalsContact NH1-O 3.15Å; R413-V453 PolarHBondContact NH2-O 3.12Å; R413-R455 VanDerWaalsContact NH2-N 3.17Å; R413-E537 IonicContact CZ-OE2 3Å; R413-E537 IonicContact NH1-OE1 3.01Å; R413-E537 PolarHBondContact NH1-OE1 3.32Å; R413-E537 IonicContact NH1-OE2 3.48Å; R413-E537 PolarHBondContact NH1-OE2 3.44Å; R413-E537 IonicContact NH2-OE2 3.36Å
414	R	87	Confident	84.4	Confident	195 Å²	195	67.1 Å²	67.1	74%	0.736	35%	0.353	S	S	*	.	S	Bend	trans	-68	131.2	178.9	-175.2	176.8	176	177.6	1	110.2	L412 L416	L412-R414 PolarHBondContact O-N 3.37Å; R414-L416 PolarHBondContact O-N 2.67Å
415	E	83.6	Confident	83.1	Confident	124 Å²	124	72 Å²	72	58%	0.579	38%	0.383	S	S	*	.			trans	-66.1	123.2	169.3	-167.1	-178.9	172.4	0	0	109.8	P192 R413	P192-E415 HydrophobicContact CB-CB 4.47Å; P192-E415 HydrophobicContact CB-CG 4.49Å; P192-E415 HydrophobicContact CG-CB 4.38Å; R413-E415 PolarHBondContact O-N 3.23Å
416	L	83.2	Confident	81.9	Confident	97 Å²	97	74.6 Å²	74.6	51%	0.508	40%	0.397	S	S	.	.			trans	-102.2	-26.5	-175.9	-61.2	-179.8	0	0	0	112.7	R414	R414-L416 PolarHBondContact O-N 2.67Å
417	F	84.9	Confident	80.8	Confident	28 Å²	28	72.9 Å²	72.9	12%	0.123	39%	0.394	C	S	.	.	S	Bend	trans	-152.3	134.9	-178	47.2	-91.9	0	0	0	109.5	R164 R165 N166 P167 A193	R164-F417 HydrophobicContact CG-CE1 4.07Å; R164-F417 HydrophobicContact CG-CZ 4.45Å; R165-F417 VanDerWaalsContact C-CE1 3.48Å; N166-F417 VanDerWaalsContact O-CZ 3.3Å; N166-F417 WeakPolarHBondContact O-CZ 3.03Å; P167-F417 HydrophobicContact CG-CE2 4.11Å; A193-F417 HydrophobicContact CB-CE2 4.15Å
418	G	79.6	Confident	79.8	Confident	45 Å²	45	75.5 Å²	75.5	46%	0.464	41%	0.409	S	S	.	.			trans	-79.7	120.3	174	0	0	0	0	0	111.2	K134	K134-G418 PolarHBondContact NZ-O 3.16Å
419	C	82.7	Confident	79	Confident	20 Å²	20	76.3 Å²	76.3	14%	0.135	41%	0.413	C	S	.	.			trans	-131.5	146.5	167.4	-75.9	0	0	0	0	108.6	C135 P167 S421	C135-C419 WeakPolarHBondContact CA-SG 3.43Å; C135-C419 HydrophobicContact CB-CB 3.78Å; C135-C419 WeakPolarHBondContact CB-SG 3.49Å; C135-C419 WeakPolarHBondContact SG-CA 3.17Å; C135-C419 WeakPolarHBondContact SG-CB 3.28Å; C135-C419 CovalentContact SG-SG 2.05Å; C135-C419 PolarHBondContact SG-SG 3.42Å; P167-C419 HydrophobicContact CG-CB 4.21Å; C419-S421 VanDerWaalsContact C-N 3.28Å; C419-S421 PolarHBondContact O-N 3.44Å
420	P	69.1	Low	78.3	Confident	131 Å²	131	77.6 Å²	77.6	85%	0.851	42%	0.42	S	S	*	.			trans	-67.5	90.3	173.6	26.4	-30.5	0	0	0	108.8
421	S	61.9	Low	77.6	Confident	70 Å²	70	83 Å²	83	49%	0.49	44%	0.444	S	S	.	.			trans	-101.5	151.2	169.9	71.7	0	0	0	0	109.6	C419 A423	C419-S421 VanDerWaalsContact C-N 3.28Å; C419-S421 PolarHBondContact O-N 3.44Å; S421-A423 PolarHBondContact O-N 3.08Å
422	E	58.2	Low	77.1	Confident	183 Å²	183	84 Å²	84	86%	0.855	44%	0.444	S	S	*	.			trans	-56.8	112.6	155.8	-68.5	178.9	167.9	0	0	106.2	D424	E422-D424 PolarHBondContact O-N 3.29Å
423	A	57.3	Low	76.6	Confident	47 Å²	47	86.7 Å²	86.7	39%	0.388	46%	0.457	S	S	.	.			trans	-61.7	135	174.3	0	0	0	0	0	107.7	S421 V425 E428	S421-A423 PolarHBondContact O-N 3.08Å; A423-V425 PolarHBondContact O-N 3.19Å; A423-V425 VanDerWaalsContact O-N 3.16Å; A423-E428 HydrophobicContact CB-CG 3.55Å; A423-E428 VanDerWaalsContact CB-OE1 3.31Å; A423-E428 WeakPolarHBondContact CB-OE1 3.46Å
424	D	66.7	Low	76.3	Confident	72 Å²	72	87.3 Å²	87.3	39%	0.385	46%	0.463	S	S	.	.			trans	-60.1	123.4	173.7	-176.6	-16.1	0	0	0	107.6	E422 N426 S427 E428	E422-D424 PolarHBondContact O-N 3.29Å; D424-N426 PolarHBondContact O-N 2.89Å; D424-N426 WeakPolarHBondContact OD1-CB 3.39Å; D424-N426 PolarHBondContact OD1-N 2.98Å; D424-N426 PolarHBondContact OD1-ND2 3.16Å; D424-S427 WeakPolarHBondContact O-CA 3.24Å; D424-S427 WeakPolarHBondContact O-CB 3.39Å; D424-S427 PolarHBondContact O-N 3.4Å; D424-E428 PolarHBondContact O-N 2.95Å
425	V	69.1	Low	76.1	Confident	108 Å²	108	82 Å²	82	66%	0.655	46%	0.456	S	S	*	.	H	α-helix	trans	-50.2	-33.8	178.7	178.5	0	0	0	0	111	A423 N429	A423-V425 PolarHBondContact O-N 3.19Å; A423-V425 VanDerWaalsContact O-N 3.16Å; V425-N429 VanDerWaalsContact O-CB 3.28Å; V425-N429 WeakPolarHBondContact O-CB 3.43Å; V425-N429 PolarHBondContact O-N 3.2Å
426	N	70.5	Confident	76.3	Confident	70 Å²	70	82.5 Å²	82.5	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-67	-41.2	176.5	-62.3	-53.9	0	0	0	112.3	D424 L430	D424-N426 PolarHBondContact O-N 2.89Å; D424-N426 WeakPolarHBondContact OD1-CB 3.39Å; D424-N426 PolarHBondContact OD1-N 2.98Å; D424-N426 PolarHBondContact OD1-ND2 3.16Å; N426-L430 VanDerWaalsContact O-CB 3.31Å; N426-L430 WeakPolarHBondContact O-CB 3.5Å; N426-L430 PolarHBondContact O-N 3.09Å
427	S	74.3	Confident	76.5	Confident	46 Å²	46	79.1 Å²	79.1	32%	0.322	44%	0.44	S	S	.	.	H	α-helix	trans	-69.1	-40.7	177	-61.8	0	0	0	0	111.8	D424 L430 Q431	D424-S427 WeakPolarHBondContact O-CA 3.24Å; D424-S427 WeakPolarHBondContact O-CB 3.39Å; D424-S427 PolarHBondContact O-N 3.4Å; S427-L430 PolarHBondContact O-N 3.41Å; S427-Q431 WeakPolarHBondContact O-CB 3.25Å; S427-Q431 PolarHBondContact O-N 3.11Å
428	E	77.5	Confident	76.7	Confident	115 Å²	115	82.5 Å²	82.5	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-63	-45.5	175.2	-67.1	-169.4	149.2	0	0	111.9	A423 D424 Q431 K432	A423-E428 HydrophobicContact CB-CG 3.55Å; A423-E428 VanDerWaalsContact CB-OE1 3.31Å; A423-E428 WeakPolarHBondContact CB-OE1 3.46Å; D424-E428 PolarHBondContact O-N 2.95Å; E428-Q431 PolarHBondContact O-N 2.77Å; E428-K432 WeakPolarHBondContact O-CB 3.5Å; E428-K432 PolarHBondContact O-N 2.85Å
429	N	79.3	Confident	77	Confident	82 Å²	82	87.6 Å²	87.6	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-64.5	-41.5	178.6	-169.7	22.6	0	0	0	111.5	V425 K432 Q433	V425-N429 VanDerWaalsContact O-CB 3.28Å; V425-N429 WeakPolarHBondContact O-CB 3.43Å; V425-N429 PolarHBondContact O-N 3.2Å; N429-K432 PolarHBondContact O-N 3.16Å; N429-Q433 WeakPolarHBondContact O-CG 3.25Å; N429-Q433 PolarHBondContact O-N 3.23Å
430	L	82	Confident	77.3	Confident	28 Å²	28	93.9 Å²	93.9	15%	0.147	50%	0.503	C	S	.	.	H	α-helix	trans	-62.6	-46.3	174.8	179	61.5	0	0	0	111.4	M190 N426 S427 K432 Q433 L434 F451 V453	M190-L430 HydrophobicContact CE-CD2 3.65Å; M190-L430 HydrophobicContact SD-CD2 4.11Å; N426-L430 VanDerWaalsContact O-CB 3.31Å; N426-L430 WeakPolarHBondContact O-CB 3.5Å; N426-L430 PolarHBondContact O-N 3.09Å; S427-L430 PolarHBondContact O-N 3.41Å; L430-K432 VanDerWaalsContact C-N 3.28Å; L430-K432 PolarHBondContact O-N 3.21Å; L430-Q433 PolarHBondContact O-N 3.09Å; L430-L434 HydrophobicContact CD1-CD1 4.06Å; L430-L434 HydrophobicContact CD1-CG 4.1Å; L430-L434 HydrophobicContact CG-CD1 3.94Å; L430-L434 HydrophobicContact CG-CG 4.39Å; L430-L434 WeakPolarHBondContact O-CB 3.35Å; L430-L434 VanDerWaalsContact O-CG 3.32Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 3.05Å; L430-F451 HydrophobicContact CD1-CB 4.01Å; L430-F451 VanDerWaalsContact CD1-O 3.25Å; L430-F451 WeakPolarHBondContact CD1-O 3.2Å; L430-V453 HydrophobicContact CD2-CG2 4.11Å
431	Q	80.9	Confident	78.3	Confident	129 Å²	129	89.6 Å²	89.6	60%	0.603	47%	0.474	S	S	*	.	H	α-helix	trans	-60.9	-40.7	178.2	-172.7	62.1	29.5	0	0	111.2	S427 E428 L434 S435	S427-Q431 WeakPolarHBondContact O-CB 3.25Å; S427-Q431 PolarHBondContact O-N 3.11Å; E428-Q431 PolarHBondContact O-N 2.77Å; Q431-L434 PolarHBondContact O-N 3.22Å; Q431-S435 WeakPolarHBondContact O-CB 3.31Å; Q431-S435 PolarHBondContact O-N 3.19Å; Q431-S435 PolarHBondContact O-OG 3.42Å
432	K	84.6	Confident	79.7	Confident	124 Å²	124	91.7 Å²	91.7	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-60.6	-51.4	174.1	-175.5	-179.5	176.2	-176.6	0	111.3	E428 N429 L430 L434 S435 E436	E428-K432 WeakPolarHBondContact O-CB 3.5Å; E428-K432 PolarHBondContact O-N 2.85Å; N429-K432 PolarHBondContact O-N 3.16Å; L430-K432 VanDerWaalsContact C-N 3.28Å; L430-K432 PolarHBondContact O-N 3.21Å; K432-L434 VanDerWaalsContact C-N 3.3Å; K432-L434 PolarHBondContact O-N 3.25Å; K432-S435 WeakPolarHBondContact CA-OG 3.25Å; K432-S435 PolarHBondContact O-N 2.95Å; K432-S435 VanDerWaalsContact O-N 3.16Å; K432-S435 PolarHBondContact O-OG 3.35Å; K432-E436 WeakPolarHBondContact CE-OE1 3.36Å; K432-E436 WeakPolarHBondContact O-CG 3.33Å; K432-E436 PolarHBondContact O-N 3.33Å
433	Q	84.9	Confident	81.4	Confident	66 Å²	66	83.1 Å²	83.1	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-59.3	-40	178.3	-73.8	179.5	-27.8	0	0	112.7	N429 L430 E436 F451	N429-Q433 WeakPolarHBondContact O-CG 3.25Å; N429-Q433 PolarHBondContact O-N 3.23Å; L430-Q433 PolarHBondContact O-N 3.09Å; Q433-E436 PolarHBondContact O-N 2.67Å; Q433-F451 HydrophobicContact CB-CD1 4.14Å; Q433-F451 HydrophobicContact CB-CE1 4.28Å; Q433-F451 HydrophobicContact CB-CG 4.41Å; Q433-F451 HydrophobicContact CG-CD1 4.44Å; Q433-F451 HydrophobicContact CG-CE1 4.33Å
434	L	84.8	Confident	83.1	Confident	54 Å²	54	83 Å²	83	28%	0.283	43%	0.429	S	S	.	.	H	α-helix	trans	-70.2	-36.3	177	-70	174.2	0	0	0	112.2	L430 Q431 K432 E436 L437 R448 F451	L430-L434 HydrophobicContact CD1-CD1 4.06Å; L430-L434 HydrophobicContact CD1-CG 4.1Å; L430-L434 HydrophobicContact CG-CD1 3.94Å; L430-L434 HydrophobicContact CG-CG 4.39Å; L430-L434 WeakPolarHBondContact O-CB 3.35Å; L430-L434 VanDerWaalsContact O-CG 3.32Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 3.05Å; Q431-L434 PolarHBondContact O-N 3.22Å; K432-L434 VanDerWaalsContact C-N 3.3Å; K432-L434 PolarHBondContact O-N 3.25Å; L434-E436 VanDerWaalsContact C-N 3.27Å; L434-E436 PolarHBondContact O-N 2.8Å; L434-L437 HydrophobicContact CD2-CD1 4.08Å; L434-L437 WeakPolarHBondContact O-CB 3.22Å; L434-L437 PolarHBondContact O-N 3.26Å; L434-R448 HydrophobicContact CD2-CG 4.11Å; L434-F451 HydrophobicContact CD2-CB 4.23Å
435	S	83.9	Confident	84.2	Confident	84 Å²	84	82.4 Å²	82.4	59%	0.587	42%	0.423	S	S	*	.	H	α-helix	trans	-70.8	-22.5	176.9	70.4	0	0	0	0	113.8	Q431 K432 L437	Q431-S435 WeakPolarHBondContact O-CB 3.31Å; Q431-S435 PolarHBondContact O-N 3.19Å; Q431-S435 PolarHBondContact O-OG 3.42Å; K432-S435 WeakPolarHBondContact CA-OG 3.25Å; K432-S435 PolarHBondContact O-N 2.95Å; K432-S435 VanDerWaalsContact O-N 3.16Å; K432-S435 PolarHBondContact O-OG 3.35Å; S435-L437 VanDerWaalsContact C-N 3.27Å
436	E	87.8	Confident	85.3	Confident	133 Å²	133	77.6 Å²	77.6	62%	0.621	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.6	174.9	-72	172.5	-175.7	0	0	112.5	K432 Q433 L434	K432-E436 WeakPolarHBondContact CE-OE1 3.36Å; K432-E436 WeakPolarHBondContact O-CG 3.33Å; K432-E436 PolarHBondContact O-N 3.33Å; Q433-E436 PolarHBondContact O-N 2.67Å; L434-E436 VanDerWaalsContact C-N 3.27Å; L434-E436 PolarHBondContact O-N 2.8Å
437	L	86.9	Confident	86.4	Confident	26 Å²	26	77 Å²	77	14%	0.136	39%	0.386	C	S	.	.	S	Bend	trans	-78	129.3	176	-68.5	177.9	0	0	0	111.2	L434 S435 E439 Y444 R447 R448 F451	L434-L437 HydrophobicContact CD2-CD1 4.08Å; L434-L437 WeakPolarHBondContact O-CB 3.22Å; L434-L437 PolarHBondContact O-N 3.26Å; S435-L437 VanDerWaalsContact C-N 3.27Å; L437-E439 PolarHBondContact O-N 2.98Å; L437-Y444 HydrophobicContact CB-CD2 4.19Å; L437-Y444 HydrophobicContact CB-CE2 3.96Å; L437-Y444 HydrophobicContact CD1-CE2 4.35Å; L437-R447 HydrophobicContact CD2-CB 3.73Å; L437-R448 HydrophobicContact CD1-CB 4.22Å; L437-F451 HydrophobicContact CD1-CD2 4.15Å; L437-F451 HydrophobicContact CD1-CE2 4.46Å; L437-F451 HydrophobicContact CD2-CE2 4.02Å; L437-F451 HydrophobicContact CG-CE2 4.48Å
438	D	88.3	Confident	87.1	Confident	99 Å²	99	78.4 Å²	78.4	53%	0.529	38%	0.384	S	S	.	.			trans	-73.5	111.9	169.8	-177.1	3.9	0	0	0	109.8	D440 D441 Y444	D438-D440 PolarHBondContact O-N 3.34Å; D438-D440 WeakPolarHBondContact OD1-CB 3.43Å; D438-D440 PolarHBondContact OD1-N 3.35Å; D438-D441 HydrophobicContact CB-CB 4.22Å; D438-D441 WeakPolarHBondContact O-CB 3.48Å; D438-D441 PolarHBondContact O-N 2.88Å; D438-Y444 WeakPolarHBondContact O-CD2 3.36Å
439	E	87.1	Confident	87.7	Confident	153 Å²	153	73.3 Å²	73.3	72%	0.715	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23	178.1	-65.4	-169.4	168.8	0	0	112.7	L437 D441 Y444	L437-E439 PolarHBondContact O-N 2.98Å; E439-D441 VanDerWaalsContact C-N 3.31Å; E439-Y444 HydrophobicContact CB-CE2 4.37Å; E439-Y444 HydrophobicContact CG-CE2 3.89Å
440	D	88.7	Confident	88.2	Confident	151 Å²	151	74.1 Å²	74.1	81%	0.807	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.5	176.1	-68.5	-38.1	0	0	0	112.6	D438 L442	D438-D440 PolarHBondContact O-N 3.34Å; D438-D440 WeakPolarHBondContact OD1-CB 3.43Å; D438-D440 PolarHBondContact OD1-N 3.35Å; D440-L442 PolarHBondContact O-N 2.92Å
441	D	90.6	Very high	88.5	Confident	42 Å²	42	74.7 Å²	74.7	23%	0.225	36%	0.359	C	S	.	.			trans	-63.3	125.5	174.6	-171.8	-21	0	0	0	110.4	D438 E439 C443 Y444 R447	D438-D441 HydrophobicContact CB-CB 4.22Å; D438-D441 WeakPolarHBondContact O-CB 3.48Å; D438-D441 PolarHBondContact O-N 2.88Å; E439-D441 VanDerWaalsContact C-N 3.31Å; D441-C443 PolarHBondContact O-N 3Å; D441-C443 PolarHBondContact OD1-N 3.27Å; D441-Y444 WeakPolarHBondContact O-CB 3.48Å; D441-Y444 PolarHBondContact O-N 2.84Å; D441-R447 WeakPolarHBondContact OD2-CD 3.27Å; D441-R447 IonicContact OD2-CZ 2.77Å; D441-R447 IonicContact OD2-NE 3.94Å; D441-R447 PolarHBondContact OD2-NE 3.37Å; D441-R447 IonicContact OD2-NH2 2.7Å; D441-R447 PolarHBondContact OD2-NH2 3.25Å
442	L	90.6	Very high	88.9	Confident	113 Å²	113	69.6 Å²	69.6	59%	0.592	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-25.4	173.8	-71	170.5	0	0	0	113.3	D440 Q722 C726	D440-L442 PolarHBondContact O-N 2.92Å; L442-Q722 PolarHBondContact O-NE2 3.31Å; L442-C726 PolarHBondContact O-SG 3.37Å
443	C	94.1	Very high	89.3	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.02	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	14.1	-179.3	-55.1	0	0	0	0	114	D441 E445 F446 R447 C726	D441-C443 PolarHBondContact O-N 3Å; D441-C443 PolarHBondContact OD1-N 3.27Å; C443-E445 VanDerWaalsContact C-N 3.25Å; C443-E445 PolarHBondContact O-N 3.41Å; C443-E445 VanDerWaalsContact O-N 3.17Å; C443-F446 PolarHBondContact O-N 2.73Å; C443-R447 PolarHBondContact O-N 2.59Å; C443-C726 WeakPolarHBondContact CA-SG 3.36Å; C443-C726 HydrophobicContact CB-CB 3.82Å; C443-C726 WeakPolarHBondContact CB-SG 3.3Å; C443-C726 WeakPolarHBondContact SG-CA 3.41Å; C443-C726 WeakPolarHBondContact SG-CB 3.29Å; C443-C726 CovalentContact SG-SG 2.06Å; C443-C726 PolarHBondContact SG-SG 3.13Å
444	Y	92.3	Very high	89.8	Confident	45 Å²	45	62.8 Å²	62.8	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-44.9	-47.9	177.2	175.5	-97.7	0	0	0	112.8	L437 D438 E439 D441 F446 R447 R448	L437-Y444 HydrophobicContact CB-CD2 4.19Å; L437-Y444 HydrophobicContact CB-CE2 3.96Å; L437-Y444 HydrophobicContact CD1-CE2 4.35Å; D438-Y444 WeakPolarHBondContact O-CD2 3.36Å; E439-Y444 HydrophobicContact CB-CE2 4.37Å; E439-Y444 HydrophobicContact CG-CE2 3.89Å; D441-Y444 WeakPolarHBondContact O-CB 3.48Å; D441-Y444 PolarHBondContact O-N 2.84Å; Y444-F446 PolarHBondContact O-N 2.89Å; Y444-R447 PolarHBondContact O-N 3.42Å; Y444-R447 VanDerWaalsContact O-N 3.13Å; Y444-R448 WeakPolarHBondContact O-CB 3.2Å; Y444-R448 PolarHBondContact O-N 3.31Å
445	E	90.7	Very high	90.4	Very high	59 Å²	59	60.2 Å²	60.2	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-37.7	-179	-75.6	-66.6	155.8	0	0	113.6	C443 R448 E449 F540	C443-E445 VanDerWaalsContact C-N 3.25Å; C443-E445 PolarHBondContact O-N 3.41Å; C443-E445 VanDerWaalsContact O-N 3.17Å; E445-R448 IonicContact OE1-CZ 3.91Å; E445-R448 IonicContact OE1-NH1 3.24Å; E445-R448 IonicContact OE1-NH2 3.76Å; E445-R448 PolarHBondContact OE1-NH2 2.94Å; E445-R448 IonicContact OE2-CZ 3.18Å; E445-R448 IonicContact OE2-NH2 3.56Å; E445-R448 PolarHBondContact OE2-NH2 2.65Å; E445-E449 PolarHBondContact O-N 3Å; E445-F540 HydrophobicContact CB-CE2 4.01Å; E445-F540 HydrophobicContact CB-CZ 4.36Å
446	F	92.8	Very high	91.1	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-42.1	173.6	-81.8	-105.6	0	0	0	111.5	C443 Y444 E449 R450 F540 V675 Y723 C726 L730	C443-F446 PolarHBondContact O-N 2.73Å; Y444-F446 PolarHBondContact O-N 2.89Å; F446-E449 PolarHBondContact O-N 3.39Å; F446-R450 PolarHBondContact O-N 3.07Å; F446-F540 HydrophobicContact CD2-CZ 4.04Å; F446-F540 HydrophobicContact CE2-CE1 4.04Å; F446-F540 AromaticContact CE2-CZ 3.87Å; F446-F540 HydrophobicContact CE2-CZ 3.87Å; F446-F540 HydrophobicContact CZ-CE1 4.16Å; F446-F540 HydrophobicContact CZ-CZ 4.4Å; F446-V675 HydrophobicContact CD1-CG2 3.54Å; F446-V675 HydrophobicContact CE1-CG2 3.93Å; F446-V675 HydrophobicContact CG-CG2 4.22Å; F446-Y723 HydrophobicContact CE1-CE1 4.44Å; F446-Y723 HydrophobicContact CE1-CE2 4.3Å; F446-Y723 AromaticContact CE2-CD2 3.98Å; F446-Y723 HydrophobicContact CE2-CD2 3.98Å; F446-Y723 HydrophobicContact CE2-CE2 4.18Å; F446-Y723 HydrophobicContact CE2-CG 4.25Å; F446-Y723 AromaticContact CZ-CD1 4Å; F446-Y723 HydrophobicContact CZ-CD1 4Å; F446-Y723 AromaticContact CZ-CD2 3.65Å; F446-Y723 HydrophobicContact CZ-CD2 3.65Å; F446-Y723 AromaticContact CZ-CE1 3.82Å; F446-Y723 HydrophobicContact CZ-CE1 3.82Å; F446-Y723 AromaticContact CZ-CE2 3.46Å; F446-Y723 HydrophobicContact CZ-CE2 3.46Å; F446-Y723 VanDerWaalsContact CZ-CE2 3.46Å; F446-Y723 AromaticContact CZ-CG 3.89Å; F446-Y723 HydrophobicContact CZ-CG 3.89Å; F446-Y723 AromaticContact CZ-CZ 3.52Å; F446-C726 HydrophobicContact CD2-CB 3.97Å; F446-C726 HydrophobicContact CE2-CB 3.98Å; F446-L730 HydrophobicContact CB-CD1 3.78Å; F446-L730 HydrophobicContact CD1-CD1 3.56Å; F446-L730 HydrophobicContact CE1-CD1 4.34Å; F446-L730 HydrophobicContact CG-CD1 3.85Å
447	R	92.1	Very high	91.7	Very high	56 Å²	56	50.3 Å²	50.3	21%	0.211	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-40.2	-178.9	-64.8	-166.6	-167.3	-81.8	2	111.4	L437 D441 C443 Y444 R450 F451 E733	L437-R447 HydrophobicContact CD2-CB 3.73Å; D441-R447 WeakPolarHBondContact OD2-CD 3.27Å; D441-R447 IonicContact OD2-CZ 2.77Å; D441-R447 IonicContact OD2-NE 3.94Å; D441-R447 PolarHBondContact OD2-NE 3.37Å; D441-R447 IonicContact OD2-NH2 2.7Å; D441-R447 PolarHBondContact OD2-NH2 3.25Å; C443-R447 PolarHBondContact O-N 2.59Å; Y444-R447 PolarHBondContact O-N 3.42Å; Y444-R447 VanDerWaalsContact O-N 3.13Å; R447-R450 WeakPolarHBondContact O-CB 3.47Å; R447-R450 PolarHBondContact O-N 3.3Å; R447-F451 WeakPolarHBondContact O-CD2 3.43Å; R447-E733 IonicContact CZ-OE1 3.92Å; R447-E733 IonicContact CZ-OE2 2.69Å; R447-E733 IonicContact NH1-OE1 3.32Å; R447-E733 PolarHBondContact NH1-OE1 3.46Å; R447-E733 IonicContact NH1-OE2 3.85Å; R447-E733 PolarHBondContact NH1-OE2 3.34Å; R447-E733 IonicContact NH2-OE1 3.37Å; R447-E733 PolarHBondContact NH2-OE1 2.94Å; R447-E733 IonicContact NH2-OE2 3.11Å
448	R	90.3	Very high	92.2	Very high	76 Å²	76	49.1 Å²	49.1	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-46.5	174.4	-171.9	176.9	69.3	-166.5	-6.4	111	L434 L437 Y444 E445 R450 F451 T452	L434-R448 HydrophobicContact CD2-CG 4.11Å; L437-R448 HydrophobicContact CD1-CB 4.22Å; Y444-R448 WeakPolarHBondContact O-CB 3.2Å; Y444-R448 PolarHBondContact O-N 3.31Å; E445-R448 IonicContact OE1-CZ 3.91Å; E445-R448 IonicContact OE1-NH1 3.24Å; E445-R448 IonicContact OE1-NH2 3.76Å; E445-R448 PolarHBondContact OE1-NH2 2.94Å; E445-R448 IonicContact OE2-CZ 3.18Å; E445-R448 IonicContact OE2-NH2 3.56Å; E445-R448 PolarHBondContact OE2-NH2 2.65Å; R448-R450 VanDerWaalsContact C-N 3.25Å; R448-R450 PolarHBondContact O-N 2.89Å; R448-F451 PolarHBondContact O-N 2.71Å; R448-T452 PolarHBondContact O-N 3.01Å; R448-T452 PolarHBondContact O-OG1 3.07Å
449	E	90	Very high	92.7	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-30.5	179.8	-77.2	-54.2	178.8	0	0	114.6	E445 F446 F451 T452 G538 Q539 F540 V675	E445-E449 PolarHBondContact O-N 3Å; F446-E449 PolarHBondContact O-N 3.39Å; E449-F451 PolarHBondContact O-N 3.29Å; E449-T452 WeakPolarHBondContact CA-OG1 3.31Å; E449-T452 PolarHBondContact O-N 3.34Å; E449-T452 WeakPolarHBondContact OE2-CB 3.49Å; E449-T452 PolarHBondContact OE2-OG1 2.78Å; E449-G538 WeakPolarHBondContact OE1-CA 3.39Å; E449-Q539 PolarHBondContact OE1-N 2.67Å; E449-F540 HydrophobicContact CG-CB 4.41Å; E449-F540 HydrophobicContact CG-CD2 3.56Å; E449-F540 HydrophobicContact CG-CE2 4.31Å; E449-F540 HydrophobicContact CG-CG 4.44Å; E449-V675 HydrophobicContact CB-CG1 4.06Å; E449-V675 HydrophobicContact CB-CG2 4.32Å
450	R	88.8	Confident	93.2	Very high	98 Å²	98	38 Å²	38	37%	0.37	18%	0.179	S	C	.	.	H	α-helix	trans	-55.7	-36	174.6	177.8	-175.2	169	179.1	-2.4	111.4	F446 R447 R448 R672	F446-R450 PolarHBondContact O-N 3.07Å; R447-R450 WeakPolarHBondContact O-CB 3.47Å; R447-R450 PolarHBondContact O-N 3.3Å; R448-R450 VanDerWaalsContact C-N 3.25Å; R448-R450 PolarHBondContact O-N 2.89Å; R450-R672 HydrophobicContact CG-CB 4.36Å; R450-R672 PolarHBondContact O-NH2 2.94Å
451	F	88.1	Confident	93.6	Very high	40 Å²	40	32 Å²	32	18%	0.175	15%	0.147	C	C	.	.	H	α-helix	trans	-93.4	-13.4	-177.5	-59	-65.7	0	0	0	113.7	L430 Q433 L434 L437 R447 R448 E449 V453	L430-F451 HydrophobicContact CD1-CB 4.01Å; L430-F451 VanDerWaalsContact CD1-O 3.25Å; L430-F451 WeakPolarHBondContact CD1-O 3.2Å; Q433-F451 HydrophobicContact CB-CD1 4.14Å; Q433-F451 HydrophobicContact CB-CE1 4.28Å; Q433-F451 HydrophobicContact CB-CG 4.41Å; Q433-F451 HydrophobicContact CG-CD1 4.44Å; Q433-F451 HydrophobicContact CG-CE1 4.33Å; L434-F451 HydrophobicContact CD2-CB 4.23Å; L437-F451 HydrophobicContact CD1-CD2 4.15Å; L437-F451 HydrophobicContact CD1-CE2 4.46Å; L437-F451 HydrophobicContact CD2-CE2 4.02Å; L437-F451 HydrophobicContact CG-CE2 4.48Å; R447-F451 WeakPolarHBondContact O-CD2 3.43Å; R448-F451 PolarHBondContact O-N 2.71Å; E449-F451 PolarHBondContact O-N 3.29Å; F451-V453 PolarHBondContact O-N 3.13Å; F451-V453 VanDerWaalsContact O-N 3.16Å
452	T	89.6	Confident	93.8	Very high	23 Å²	23	33.9 Å²	33.9	14%	0.141	15%	0.154	C	C	.	.			trans	-52.9	123.6	174.3	-56.7	0	0	0	0	110.3	R448 E449 E537 R672	R448-T452 PolarHBondContact O-N 3.01Å; R448-T452 PolarHBondContact O-OG1 3.07Å; E449-T452 WeakPolarHBondContact CA-OG1 3.31Å; E449-T452 PolarHBondContact O-N 3.34Å; E449-T452 WeakPolarHBondContact OE2-CB 3.49Å; E449-T452 PolarHBondContact OE2-OG1 2.78Å; T452-E537 HydrophobicContact CG2-CG 4.12Å; T452-R672 PolarHBondContact O-NH2 2.83Å
453	V	92.8	Very high	94.1	Very high	41 Å²	41	29.7 Å²	29.7	25%	0.248	13%	0.131	C	C	.	.			trans	-95.5	103.8	173.9	179	0	0	0	0	107.7	T188 M190 R413 L430 F451	T188-V453 HydrophobicContact CG2-CG1 4.39Å; M190-V453 HydrophobicContact CE-CB 3.56Å; M190-V453 HydrophobicContact CE-CG1 3.96Å; M190-V453 HydrophobicContact CE-CG2 4.02Å; M190-V453 HydrophobicContact SD-CB 3.98Å; M190-V453 HydrophobicContact SD-CG1 3.94Å; M190-V453 HydrophobicContact SD-CG2 4.02Å; R413-V453 PolarHBondContact NH1-O 3.35Å; R413-V453 VanDerWaalsContact NH1-O 3.15Å; R413-V453 PolarHBondContact NH2-O 3.12Å; L430-V453 HydrophobicContact CD2-CG2 4.11Å; F451-V453 PolarHBondContact O-N 3.13Å; F451-V453 VanDerWaalsContact O-N 3.16Å
454	H	96.3	Very high	94.2	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	16%	0.157	C	C	.	.			trans	-78.4	128.9	178.2	-68	-100	0	0	0	110.9	T188 T456 Y504 V534 Y535 E537 L545	T188-H454 WeakPolarHBondContact CB-O 3.27Å; H454-T456 PolarHBondContact O-N 3.08Å; H454-T456 PolarHBondContact O-OG1 3.18Å; H454-Y504 AromaticContact CE1-CE2 4Å; H454-Y504 AromaticContact ND1-CE2 3.87Å; H454-V534 HydrophobicContact CB-CG1 3.46Å; H454-V534 VanDerWaalsContact CB-CG1 3.46Å; H454-Y535 PolarHBondContact ND1-O 2.98Å; H454-E537 PolarHBondContact CE1-O 3.29Å; H454-E537 VanDerWaalsContact CE1-O 3.28Å; H454-L545 HydrophobicContact CB-CD2 4.02Å; H454-L545 WeakPolarHBondContact CD2-CD2 3.33Å
455	R	97.7	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.			trans	-56.8	130.3	170.9	-174.8	174.4	59.9	121.2	5.4	108.9	L185 W189 R413 D507 Y535	L185-R455 HydrophobicContact CD1-CG 3.64Å; W189-R455 HydrophobicContact CB-CG 4.02Å; W189-R455 VanDerWaalsContact CD1-CD 3.46Å; W189-R455 HydrophobicContact CG-CG 4.09Å; R413-R455 VanDerWaalsContact NH2-N 3.17Å; R455-D507 IonicContact CZ-OD1 2.86Å; R455-D507 IonicContact CZ-OD2 3.57Å; R455-D507 IonicContact NH1-OD1 3.8Å; R455-D507 PolarHBondContact NH1-OD1 2.73Å; R455-D507 IonicContact NH2-OD1 3.96Å; R455-D507 PolarHBondContact NH2-OD1 2.86Å; R455-D507 IonicContact NH2-OD2 2.63Å; R455-D507 PolarHBondContact NH2-OD2 2.86Å; R455-Y535 HydrophobicContact CB-CD2 3.95Å; R455-Y535 HydrophobicContact CG-CD2 3.75Å; R455-Y535 HydrophobicContact CG-CE2 4.25Å; R455-Y535 VanDerWaalsContact NH2-CD1 3.33Å; R455-Y535 VanDerWaalsContact NH2-CG 3.29Å; R455-Y535 VanDerWaalsContact O-CD2 3.28Å; R455-Y535 WeakPolarHBondContact O-CD2 3.46Å; R455-Y535 PolarHBondContact O-N 3.35Å
456	T	98.7	Very high	94.4	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.9	-170.8	-61.4	0	0	0	0	111.1	T184 L185 T188 H454 L458 I533 V534 V549	T184-T456 HydrophobicContact CG2-CG2 4.3Å; L185-T456 VanDerWaalsContact CA-O 3.27Å; L185-T456 WeakPolarHBondContact CA-O 3.4Å; T188-T456 PolarHBondContact OG1-N 2.9Å; H454-T456 PolarHBondContact O-N 3.08Å; H454-T456 PolarHBondContact O-OG1 3.18Å; T456-L458 HydrophobicContact CG2-CD2 3.87Å; T456-L458 HydrophobicContact CG2-CG 4.5Å; T456-I533 CarbonylContact C-O 3.57Å; T456-I533 WeakPolarHBondContact CA-O 3.36Å; T456-V534 HydrophobicContact CG2-CG2 4.22Å; T456-V549 HydrophobicContact CG2-CG1 4.26Å
457	H	98.8	Very high	94.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.2	171.6	-173.8	-46.7	0	0	0	109.6	I181 L185 F460 H532 I533 Y535	I181-H457 VanDerWaalsContact CG2-CE1 3.42Å; I181-H457 WeakPolarHBondContact CG2-CE1 3.34Å; L185-H457 HydrophobicContact CD1-CB 4.37Å; H457-F460 HydrophobicContact CB-CD2 4.45Å; H457-F460 AromaticContact CD2-CD2 3.94Å; H457-F460 AromaticContact CE1-CD2 3.85Å; H457-F460 AromaticContact CG-CD2 3.83Å; H457-F460 AromaticContact ND1-CD2 3.77Å; H457-F460 AromaticContact NE2-CD2 3.94Å; H457-H532 CarbonylContact O-C 3.52Å; H457-I533 HydrophobicContact CB-CB 4.34Å; H457-I533 PolarHBondContact N-O 3.03Å; H457-I533 PolarHBondContact O-N 3.27Å; H457-Y535 HydrophobicContact CB-CE2 4.01Å
458	L	98.6	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.			trans	-75.6	154.5	177.9	-56.7	175.4	0	0	0	111.5	Q180 I181 T184 T456 F460 H532 H553	Q180-L458 HydrophobicContact CG-CD1 4.28Å; I181-L458 HydrophobicContact CG1-CB 4.32Å; I181-L458 WeakPolarHBondContact CG1-O 3.44Å; T184-L458 HydrophobicContact CG2-CD1 3.84Å; T184-L458 HydrophobicContact CG2-CD2 4.39Å; T184-L458 HydrophobicContact CG2-CG 3.9Å; T184-L458 VanDerWaalsContact OG1-CD1 3.24Å; T184-L458 WeakPolarHBondContact OG1-CD1 3.45Å; T456-L458 HydrophobicContact CG2-CD2 3.87Å; T456-L458 HydrophobicContact CG2-CG 4.5Å; L458-F460 PolarHBondContact O-N 3.19Å; L458-H532 HydrophobicContact CD2-CB 4.22Å; L458-H532 WeakPolarHBondContact CD2-ND1 3.25Å; L458-H553 WeakPolarHBondContact CD1-NE2 3.22Å; L458-H553 WeakPolarHBondContact CD2-NE2 3.05Å
459	Y	98	Very high	94.2	Very high	18 Å²	18	43.5 Å²	43.5	7%	0.071	23%	0.23	C	C	.	.			trans	42.3	57.5	173.3	-51.3	-74.9	0	0	0	113.8	Y147 I177 I181 L461 Y463 Y531 H532 H553	Y147-Y459 WeakPolarHBondContact CD1-O 3.42Å; Y147-Y459 VanDerWaalsContact CE1-CB 3.48Å; Y147-Y459 HydrophobicContact CE1-CG 4.17Å; I177-Y459 HydrophobicContact CD1-CD2 3.76Å; I177-Y459 HydrophobicContact CD1-CE2 4.15Å; I177-Y459 HydrophobicContact CD1-CG 4.37Å; I181-Y459 HydrophobicContact CG1-CD2 4.39Å; Y459-L461 CarbonylContact C-O 3.55Å; Y459-L461 PolarHBondContact O-N 3.47Å; Y459-Y463 AromaticContact CD1-CD1 3.87Å; Y459-Y463 HydrophobicContact CD1-CD1 3.87Å; Y459-Y463 AromaticContact CD1-CG 3.84Å; Y459-Y463 HydrophobicContact CD1-CG 3.84Å; Y459-Y463 AromaticContact CE1-CD1 3.55Å; Y459-Y463 HydrophobicContact CE1-CD1 3.55Å; Y459-Y463 AromaticContact CE1-CE1 4Å; Y459-Y463 HydrophobicContact CE1-CE1 4Å; Y459-Y463 AromaticContact CE1-CG 3.91Å; Y459-Y463 HydrophobicContact CE1-CG 3.91Å; Y459-Y531 CarbonylContact C-O 3.46Å; Y459-Y531 VanDerWaalsContact CA-O 3.25Å; Y459-Y531 WeakPolarHBondContact CA-O 3.25Å; Y459-Y531 PolarHBondContact N-O 3.47Å; Y459-Y531 VanDerWaalsContact N-O 3.11Å; Y459-H532 AromaticContact CD1-CE1 3.76Å; Y459-H532 AromaticContact CE1-CE1 3.55Å; Y459-H532 AromaticContact CZ-CE1 3.75Å; Y459-H532 PolarHBondContact N-ND1 2.99Å; Y459-H553 PolarHBondContact OH-O 2.83Å
460	F	97.8	Very high	94.3	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.249	C	C	.	.	S	Bend	trans	-63.5	-23.1	-176.3	-165.7	-107.8	0	0	0	113.7	R151 H457 L458 A510 F513 L514 Y531 I533	R151-F460 VanDerWaalsContact CD-CZ 3.48Å; R151-F460 HydrophobicContact CG-CD2 4.35Å; R151-F460 HydrophobicContact CG-CE2 3.72Å; R151-F460 HydrophobicContact CG-CZ 4Å; R151-F460 PolarHBondContact NH1-O 2.9Å; R151-F460 VanDerWaalsContact NH1-O 3.09Å; H457-F460 HydrophobicContact CB-CD2 4.45Å; H457-F460 AromaticContact CD2-CD2 3.94Å; H457-F460 AromaticContact CE1-CD2 3.85Å; H457-F460 AromaticContact CG-CD2 3.83Å; H457-F460 AromaticContact ND1-CD2 3.77Å; H457-F460 AromaticContact NE2-CD2 3.94Å; L458-F460 PolarHBondContact O-N 3.19Å; F460-A510 HydrophobicContact CE1-CB 4.33Å; F460-A510 WeakPolarHBondContact CE1-O 3.37Å; F460-A510 HydrophobicContact CE2-CB 4.49Å; F460-A510 HydrophobicContact CZ-CB 3.91Å; F460-F513 HydrophobicContact CD1-CD1 4.1Å; F460-F513 HydrophobicContact CD1-CE1 4.22Å; F460-F513 HydrophobicContact CE1-CD1 4.36Å; F460-L514 HydrophobicContact CE1-CB 4.15Å; F460-Y531 PolarHBondContact N-O 2.7Å; F460-I533 HydrophobicContact CB-CD1 4.11Å; F460-I533 HydrophobicContact CB-CG1 3.69Å; F460-I533 HydrophobicContact CD1-CD1 4.11Å; F460-I533 HydrophobicContact CD1-CG1 3.93Å; F460-I533 HydrophobicContact CD2-CG1 3.58Å; F460-I533 HydrophobicContact CE1-CG1 4.43Å; F460-I533 HydrophobicContact CE2-CG1 4.14Å; F460-I533 HydrophobicContact CG-CD1 4.04Å; F460-I533 HydrophobicContact CG-CG1 3.46Å; F460-I533 VanDerWaalsContact CG-CG1 3.46Å
461	L	96.8	Very high	94.5	Very high	26 Å²	26	45.9 Å²	45.9	14%	0.136	26%	0.256	C	S	.	.	S	Bend	trans	-119.6	164.5	169.2	-57.1	178.4	0	0	0	109.5	Y459 Y463 F513 L514 A517 Y531	Y459-L461 CarbonylContact C-O 3.55Å; Y459-L461 PolarHBondContact O-N 3.47Å; L461-Y463 PolarHBondContact O-N 3.34Å; L461-F513 HydrophobicContact CD1-CE1 3.93Å; L461-F513 HydrophobicContact CD1-CZ 3.89Å; L461-F513 HydrophobicContact CG-CE1 4.28Å; L461-L514 HydrophobicContact CD2-CD1 3.39Å; L461-A517 HydrophobicContact CD1-CB 3.56Å; L461-Y531 HydrophobicContact CB-CD2 3.75Å; L461-Y531 HydrophobicContact CB-CE2 4.19Å; L461-Y531 HydrophobicContact CD1-CD2 3.78Å; L461-Y531 HydrophobicContact CD1-CE2 3.77Å; L461-Y531 HydrophobicContact CD1-CG 4.18Å; L461-Y531 HydrophobicContact CG-CD2 4.07Å; L461-Y531 HydrophobicContact CG-CE2 4.48Å; L461-Y531 HydrophobicContact CG-CG 4.46Å
462	H	96.1	Very high	94.9	Very high	80 Å²	80	44.2 Å²	44.2	37%	0.37	25%	0.249	S	C	.	.			trans	-57	128.5	179.1	-179	57.5	0	0	0	111.6	Y147 E464 H527	Y147-H462 HydrophobicContact CD2-CB 4.19Å; Y147-H462 AromaticContact CD2-ND1 3.28Å; Y147-H462 VanDerWaalsContact CD2-ND1 3.28Å; Y147-H462 WeakPolarHBondContact CD2-ND1 3.36Å; Y147-H462 AromaticContact CE2-CE1 3.87Å; Y147-H462 AromaticContact CE2-ND1 3.13Å; Y147-H462 WeakPolarHBondContact CE2-ND1 3.23Å; H462-E464 IonicContact NE2-OE2 2.62Å; H462-H527 AromaticContact CD2-CG 3.81Å; H462-H527 AromaticContact CD2-ND1 3.62Å
463	Y	96.7	Very high	95.3	Very high	26 Å²	26	43.1 Å²	43.1	10%	0.102	24%	0.243	C	C	.	.			trans	-124.3	130.9	176	177.9	-106	0	0	0	110	Y147 Y459 L461 H527 S555	Y147-Y463 PolarHBondContact OH-O 3.48Å; Y459-Y463 AromaticContact CD1-CD1 3.87Å; Y459-Y463 HydrophobicContact CD1-CD1 3.87Å; Y459-Y463 AromaticContact CD1-CG 3.84Å; Y459-Y463 HydrophobicContact CD1-CG 3.84Å; Y459-Y463 AromaticContact CE1-CD1 3.55Å; Y459-Y463 HydrophobicContact CE1-CD1 3.55Å; Y459-Y463 AromaticContact CE1-CE1 4Å; Y459-Y463 HydrophobicContact CE1-CE1 4Å; Y459-Y463 AromaticContact CE1-CG 3.91Å; Y459-Y463 HydrophobicContact CE1-CG 3.91Å; L461-Y463 PolarHBondContact O-N 3.34Å; Y463-H527 CarbonylContact C-O 3.56Å; Y463-H527 VanDerWaalsContact CA-O 3.31Å; Y463-H527 WeakPolarHBondContact CA-O 3.41Å; Y463-H527 WeakPolarHBondContact CD2-O 3.48Å; Y463-S555 PolarHBondContact OH-OG 2.8Å
464	E	94.9	Very high	95.6	Very high	120 Å²	120	41.2 Å²	41.2	56%	0.561	23%	0.231	S	C	*	.			trans	-149.2	120	175.4	-172.6	174.7	-168.3	0	0	108.1	H462 H527	H462-E464 IonicContact NE2-OE2 2.62Å; E464-H527 HydrophobicContact CB-CB 4.21Å; E464-H527 PolarHBondContact N-O 2.98Å; E464-H527 CarbonylContact O-C 3.54Å
465	Y	95.3	Very high	95.7	Very high	47 Å²	47	41 Å²	41	18%	0.184	23%	0.23	C	C	.	.			trans	-157	124.2	176.8	-177.4	-103.4	0	0	0	110	P467 D473 P498 N528 T556 Y573	Y465-P467 HydrophobicContact CD1-CG 4.4Å; Y465-P467 HydrophobicContact CE1-CB 4.44Å; Y465-P467 HydrophobicContact CE1-CG 4.3Å; Y465-D473 PolarHBondContact OH-OD1 3.44Å; Y465-D473 PolarHBondContact OH-OD2 3.18Å; Y465-P498 HydrophobicContact CD1-CB 4.06Å; Y465-P498 HydrophobicContact CD1-CG 4.28Å; Y465-P498 HydrophobicContact CD2-CB 4.14Å; Y465-P498 HydrophobicContact CE1-CB 3.96Å; Y465-P498 HydrophobicContact CE1-CG 3.67Å; Y465-P498 HydrophobicContact CE2-CB 4.05Å; Y465-P498 HydrophobicContact CE2-CG 4.01Å; Y465-P498 HydrophobicContact CG-CB 4.13Å; Y465-P498 WeakPolarHBondContact OH-CD 3.47Å; Y465-N528 HydrophobicContact CD2-CB 3.67Å; Y465-N528 HydrophobicContact CE2-CB 4.46Å; Y465-N528 HydrophobicContact CG-CB 4.3Å; Y465-T556 HydrophobicContact CE1-CG2 3.73Å; Y465-Y573 PolarHBondContact OH-OH 2.96Å; Y465-Y573 VanDerWaalsContact OH-OH 3.13Å
466	E	93	Very high	95.7	Very high	168 Å²	168	41 Å²	41	79%	0.785	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-100.1	117.5	171.8	-65.7	-172.5	162.7	0	0	108.9
467	P	90.8	Very high	95.7	Very high	64 Å²	64	40.7 Å²	40.7	42%	0.416	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-59.4	142.2	174.9	-23.8	34.2	0	0	0	112	Y465 D473	Y465-P467 HydrophobicContact CD1-CG 4.4Å; Y465-P467 HydrophobicContact CE1-CB 4.44Å; Y465-P467 HydrophobicContact CE1-CG 4.3Å; P467-D473 WeakPolarHBondContact CA-OD2 3.46Å
468	A	88.9	Confident	95.7	Very high	30 Å²	30	40.8 Å²	40.8	25%	0.248	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.1	142	175.8	0	0	0	0	0	111.5	D470 S471 D473	A468-D470 VanDerWaalsContact CB-OD1 3.23Å; A468-D470 WeakPolarHBondContact CB-OD1 3.32Å; A468-D470 PolarHBondContact O-N 2.96Å; A468-D470 VanDerWaalsContact O-N 3.11Å; A468-S471 PolarHBondContact O-N 3.26Å; A468-D473 VanDerWaalsContact CB-OD2 3.24Å; A468-D473 WeakPolarHBondContact CB-OD2 3.19Å; A468-D473 PolarHBondContact N-OD2 3.15Å
469	A	90.6	Very high	95.7	Very high	108 Å²	108	41.7 Å²	41.7	89%	0.893	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.1	-176.9	0	0	0	0	0	113.9	S471	A469-S471 PolarHBondContact O-N 2.96Å
470	D	91.7	Very high	95.7	Very high	81 Å²	81	41 Å²	41	43%	0.433	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.5	178.1	69.7	-17.1	0	0	0	113.4	A468 T472 R577	A468-D470 VanDerWaalsContact CB-OD1 3.23Å; A468-D470 WeakPolarHBondContact CB-OD1 3.32Å; A468-D470 PolarHBondContact O-N 2.96Å; A468-D470 VanDerWaalsContact O-N 3.11Å; D470-T472 HydrophobicContact CB-CG2 4.18Å; D470-T472 WeakPolarHBondContact O-CG2 3.34Å; D470-T472 PolarHBondContact O-N 2.98Å; D470-T472 PolarHBondContact OD1-N 2.99Å; D470-T472 PolarHBondContact OD1-OG1 3.32Å; D470-T472 WeakPolarHBondContact OD2-CG2 3.49Å; D470-T472 PolarHBondContact OD2-OG1 3.36Å; D470-R577 IonicContact OD1-NH2 2.86Å; D470-R577 PolarHBondContact OD1-NH2 3.23Å; D470-R577 IonicContact OD2-CZ 3.95Å; D470-R577 IonicContact OD2-NH2 2.96Å; D470-R577 PolarHBondContact OD2-NH2 3.16Å
471	S	93.6	Very high	95.6	Very high	76 Å²	76	41.9 Å²	41.9	53%	0.531	24%	0.237	S	C	.	.	S	Bend	trans	54.4	34.2	178.7	-58.1	0	0	0	0	113.3	A468 A469 P557 Y558	A468-S471 PolarHBondContact O-N 3.26Å; A469-S471 PolarHBondContact O-N 2.96Å; S471-P557 WeakPolarHBondContact O-CG 3.41Å; S471-Y558 WeakPolarHBondContact O-CE2 3.45Å
472	T	96.5	Very high	95.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.031	24%	0.24	C	C	.	.			trans	-102.9	-5.3	179.4	62.7	0	0	0	0	113.8	D470 R577 I581	D470-T472 HydrophobicContact CB-CG2 4.18Å; D470-T472 WeakPolarHBondContact O-CG2 3.34Å; D470-T472 PolarHBondContact O-N 2.98Å; D470-T472 PolarHBondContact OD1-N 2.99Å; D470-T472 PolarHBondContact OD1-OG1 3.32Å; D470-T472 WeakPolarHBondContact OD2-CG2 3.49Å; D470-T472 PolarHBondContact OD2-OG1 3.36Å; T472-R577 WeakPolarHBondContact O-CG 3.37Å; T472-R577 PolarHBondContact OG1-NE 3.07Å; T472-R577 PolarHBondContact OG1-NH2 3.29Å; T472-I581 HydrophobicContact CG2-CD1 3.65Å; T472-I581 HydrophobicContact CG2-CG1 3.59Å
473	D	97.8	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.			trans	-60.6	143.9	-172.8	-73.6	-33.7	0	0	0	113.4	Y465 P467 A468 T556 Y558 Y573 R577	Y465-D473 PolarHBondContact OH-OD1 3.44Å; Y465-D473 PolarHBondContact OH-OD2 3.18Å; P467-D473 WeakPolarHBondContact CA-OD2 3.46Å; A468-D473 VanDerWaalsContact CB-OD2 3.24Å; A468-D473 WeakPolarHBondContact CB-OD2 3.19Å; A468-D473 PolarHBondContact N-OD2 3.15Å; D473-T556 HydrophobicContact CB-CG2 3.53Å; D473-Y558 PolarHBondContact O-N 2.93Å; D473-Y573 PolarHBondContact OD1-OH 3.38Å; D473-R577 IonicContact OD1-CZ 2.78Å; D473-R577 IonicContact OD1-NE 3.09Å; D473-R577 PolarHBondContact OD1-NE 2.75Å; D473-R577 IonicContact OD1-NH2 3.99Å
474	V	98.4	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.4	178.5	-173	0	0	0	0	108.3	W495 Y558 F560 Y573 L576 V580 V662	V474-W495 HydrophobicContact CB-CH2 4.41Å; V474-W495 HydrophobicContact CB-CZ2 4.44Å; V474-W495 HydrophobicContact CG1-CH2 4.23Å; V474-W495 HydrophobicContact CG1-CZ2 4.41Å; V474-W495 WeakPolarHBondContact O-CZ2 3.4Å; V474-Y558 WeakPolarHBondContact CA-O 3.3Å; V474-F560 HydrophobicContact CG1-CB 3.73Å; V474-Y573 WeakPolarHBondContact O-CE2 3.18Å; V474-L576 HydrophobicContact CG1-CD1 4.4Å; V474-L576 HydrophobicContact CG2-CB 4.02Å; V474-V580 HydrophobicContact CG2-CG2 4.27Å; V474-V662 HydrophobicContact CG1-CG1 3.79Å; V474-V662 HydrophobicContact CG2-CG1 4.29Å
475	T	98.8	Very high	95.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.7	170.3	-67.6	0	0	0	0	110.7	V477 P498 I554 T556 Y558 M559 F560	T475-V477 HydrophobicContact CG2-CG2 4.19Å; T475-V477 PolarHBondContact O-N 2.67Å; T475-P498 WeakPolarHBondContact CA-O 3.37Å; T475-P498 WeakPolarHBondContact OG1-CG 3.35Å; T475-I554 HydrophobicContact CG2-CB 4.23Å; T475-I554 HydrophobicContact CG2-CG2 3.67Å; T475-T556 VanDerWaalsContact CB-OG1 3.31Å; T475-T556 WeakPolarHBondContact CB-OG1 3.48Å; T475-T556 PolarHBondContact N-OG1 3Å; T475-T556 VanDerWaalsContact OG1-CG2 3.27Å; T475-T556 WeakPolarHBondContact OG1-CG2 3.23Å; T475-T556 PolarHBondContact OG1-OG1 3Å; T475-Y558 PolarHBondContact N-O 3.39Å; T475-M559 CarbonylContact O-C 3.6Å; T475-M559 VanDerWaalsContact O-CA 3.28Å; T475-M559 WeakPolarHBondContact O-CA 3.39Å; T475-F560 PolarHBondContact O-N 3.45Å
476	L	98.8	Very high	94.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.8	167.3	-173.2	156.4	0	0	0	108.7	A478 I491 W495 P498 I499 S500 F560 P568	L476-A478 HydrophobicContact CD2-CB 3.99Å; L476-I491 HydrophobicContact CD1-CG2 4.11Å; L476-I491 HydrophobicContact CD2-CG2 4.47Å; L476-W495 HydrophobicContact CB-CD2 3.99Å; L476-W495 HydrophobicContact CB-CG 4.19Å; L476-W495 HydrophobicContact CB-CZ2 3.96Å; L476-W495 HydrophobicContact CD1-CB 4.22Å; L476-W495 HydrophobicContact CD1-CD2 3.88Å; L476-W495 HydrophobicContact CD1-CE3 4.17Å; L476-W495 HydrophobicContact CD1-CG 3.9Å; L476-P498 PolarHBondContact N-O 3.18Å; L476-I499 HydrophobicContact CB-CG1 4.36Å; L476-I499 HydrophobicContact CD2-CG2 4.04Å; L476-I499 CarbonylContact O-C 3.56Å; L476-I499 VanDerWaalsContact O-CA 3.3Å; L476-I499 WeakPolarHBondContact O-CA 3.34Å; L476-I499 WeakPolarHBondContact O-CG2 3.43Å; L476-S500 PolarHBondContact O-N 3.14Å; L476-F560 HydrophobicContact CD1-CD1 4.15Å; L476-F560 HydrophobicContact CD1-CE1 4.26Å; L476-F560 HydrophobicContact CG-CD1 4.17Å; L476-P568 HydrophobicContact CD1-CG 4.48Å
477	V	98.8	Very high	94.9	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.5	-179.2	176.1	0	0	0	0	108.5	T475 S500 A550 M551 I554 M559 F560 L561 S562	T475-V477 HydrophobicContact CG2-CG2 4.19Å; T475-V477 PolarHBondContact O-N 2.67Å; V477-S500 WeakPolarHBondContact CA-O 3.36Å; V477-A550 HydrophobicContact CG1-CB 3.65Å; V477-M551 HydrophobicContact CG1-CG 3.86Å; V477-I554 HydrophobicContact CG2-CG2 3.76Å; V477-M559 HydrophobicContact CG2-CB 3.82Å; V477-F560 PolarHBondContact N-O 3.14Å; V477-L561 HydrophobicContact CB-CD2 4.11Å; V477-L561 HydrophobicContact CG1-CD2 4.18Å; V477-S562 PolarHBondContact O-N 3.4Å
478	A	98.4	Very high	95.1	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	171.8	177	0	0	0	0	0	111.5	L476 S500 L501 A502 S562 I564	L476-A478 HydrophobicContact CD2-CB 3.99Å; A478-S500 PolarHBondContact N-O 2.89Å; A478-S500 VanDerWaalsContact N-O 3.13Å; A478-L501 HydrophobicContact CB-CD2 3.8Å; A478-L501 WeakPolarHBondContact O-CA 3.31Å; A478-A502 PolarHBondContact O-N 3.01Å; A478-S562 WeakPolarHBondContact CA-O 3.24Å; A478-S562 WeakPolarHBondContact CB-O 3.38Å; A478-I564 HydrophobicContact CB-CD1 4.34Å
479	Q	98.1	Very high	95.4	Very high	19 Å²	19	31.2 Å²	31.2	9%	0.089	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.7	175.5	55.6	69.4	26.7	0	0	109.7	A502 Y541 V543 L546 R547	Q479-A502 CarbonylContact C-O 3.48Å; Q479-A502 WeakPolarHBondContact CA-O 3.48Å; Q479-A502 HydrophobicContact CB-CB 4.24Å; Q479-Y541 PolarHBondContact OE1-OH 3.4Å; Q479-V543 HydrophobicContact CG-CG2 4.49Å; Q479-L546 HydrophobicContact CB-CB 3.66Å; Q479-L546 HydrophobicContact CB-CD1 4.47Å; Q479-L546 HydrophobicContact CG-CB 4.03Å; Q479-R547 HydrophobicContact CG-CG 3.99Å
480	L	97.4	Very high	95.7	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	163.3	-179.7	70.9	166.7	0	0	0	114.2	R484 L485 L488 L501 A502 L503 Y504 Y541 I564	L480-R484 HydrophobicContact CB-CB 4.17Å; L480-L485 HydrophobicContact CD1-CD2 4.05Å; L480-L488 HydrophobicContact CD1-CD1 3.9Å; L480-L488 HydrophobicContact CD1-CD2 3.64Å; L480-L488 HydrophobicContact CD1-CG 3.67Å; L480-L488 HydrophobicContact CD2-CD2 4.32Å; L480-L501 HydrophobicContact CD2-CB 4.25Å; L480-L501 HydrophobicContact CD2-CD2 4.36Å; L480-A502 PolarHBondContact N-O 3.09Å; L480-L503 HydrophobicContact CD2-CD1 4.48Å; L480-L503 HydrophobicContact CD2-CD2 4.17Å; L480-L503 HydrophobicContact CD2-CG 3.7Å; L480-L503 HydrophobicContact CG-CD2 4.42Å; L480-L503 HydrophobicContact CG-CG 4.29Å; L480-L503 CarbonylContact O-C 3.49Å; L480-L503 VanDerWaalsContact O-CA 3.31Å; L480-L503 WeakPolarHBondContact O-CA 3.41Å; L480-Y504 PolarHBondContact O-N 3.39Å; L480-Y541 VanDerWaalsContact C-OH 3.25Å; L480-I564 HydrophobicContact CB-CB 4.13Å; L480-I564 HydrophobicContact CB-CD1 4.36Å; L480-I564 HydrophobicContact CB-CG1 3.92Å; L480-I564 HydrophobicContact CB-CG2 4.01Å; L480-I564 HydrophobicContact CD1-CD1 4.09Å; L480-I564 HydrophobicContact CD1-CG1 4.03Å; L480-I564 HydrophobicContact CD2-CD1 4.31Å; L480-I564 HydrophobicContact CG-CG1 4.47Å
481	S	96	Very high	95.9	Very high	20 Å²	20	23.7 Å²	23.7	14%	0.14	13%	0.13	C	C	.	.			trans	-114.6	175.9	167.2	44.7	0	0	0	0	111.2	D483 R484	S481-D483 WeakPolarHBondContact CB-OD1 3.38Å; S481-D483 PolarHBondContact O-N 3.37Å; S481-D483 VanDerWaalsContact O-N 3.14Å; S481-D483 PolarHBondContact OG-OD1 2.73Å; S481-R484 PolarHBondContact O-N 2.75Å
482	M	94.6	Very high	96.1	Very high	42 Å²	42	20.4 Å²	20.4	21%	0.207	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-51.2	-36.7	-179.1	-76.2	-59.9	-69.1	0	0	114.3	R484 L485 L505 E509 Q512	M482-R484 PolarHBondContact O-N 3.28Å; M482-R484 VanDerWaalsContact O-N 3.1Å; M482-L485 HydrophobicContact CE-CD1 3.54Å; M482-L485 WeakPolarHBondContact O-CG 3.34Å; M482-L485 PolarHBondContact O-N 3.21Å; M482-L485 HydrophobicContact SD-CD1 3.49Å; M482-L485 WeakPolarHBondContact SD-CD1 3.43Å; M482-L485 HydrophobicContact SD-CG 4.29Å; M482-L505 HydrophobicContact CG-CD2 3.59Å; M482-L505 HydrophobicContact SD-CD2 3.63Å; M482-E509 HydrophobicContact CG-CB 3.77Å; M482-E509 VanDerWaalsContact CG-CD 3.48Å; M482-E509 HydrophobicContact CG-CG 3.64Å; M482-E509 WeakPolarHBondContact CG-OE1 3.45Å; M482-E509 HydrophobicContact SD-CB 3.9Å; M482-E509 HydrophobicContact SD-CG 4.28Å; M482-Q512 HydrophobicContact CE-CB 3.95Å
483	D	92.6	Very high	96.1	Very high	80 Å²	80	25.1 Å²	25.1	43%	0.428	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-72.8	1.6	-177.4	65.1	-66	0	0	0	114.4	S481 Q486	S481-D483 WeakPolarHBondContact CB-OD1 3.38Å; S481-D483 PolarHBondContact O-N 3.37Å; S481-D483 VanDerWaalsContact O-N 3.14Å; S481-D483 PolarHBondContact OG-OD1 2.73Å; D483-Q486 PolarHBondContact O-NE2 3.22Å; D483-Q486 PolarHBondContact O-OE1 2.81Å
484	R	94.1	Very high	96	Very high	18 Å²	18	25.9 Å²	25.9	7%	0.068	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-123.8	5.5	177	-66.1	-59.6	-173.4	-82	-16	114.5	L480 S481 M482 Q486 M487 I564 D565 H708 A709	L480-R484 HydrophobicContact CB-CB 4.17Å; S481-R484 PolarHBondContact O-N 2.75Å; M482-R484 PolarHBondContact O-N 3.28Å; M482-R484 VanDerWaalsContact O-N 3.1Å; R484-Q486 PolarHBondContact O-N 2.51Å; R484-Q486 VanDerWaalsContact O-N 3.11Å; R484-M487 WeakPolarHBondContact O-CB 3.16Å; R484-M487 PolarHBondContact O-N 2.95Å; R484-I564 HydrophobicContact CB-CG2 3.84Å; R484-I564 HydrophobicContact CG-CG2 4Å; R484-D565 WeakPolarHBondContact CD-OD1 3.37Å; R484-D565 IonicContact NE-OD1 2.82Å; R484-D565 PolarHBondContact NE-OD1 2.84Å; R484-D565 IonicContact NE-OD2 2.68Å; R484-D565 PolarHBondContact NE-OD2 3.25Å; R484-H708 VanDerWaalsContact NH2-CG 3.32Å; R484-H708 PolarHBondContact NH2-ND1 2.98Å; R484-A709 PolarHBondContact NH2-O 2.83Å
485	L	92.9	Very high	96	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.068	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.3	-179.2	-75.1	-179.2	0	0	0	113.6	L480 M482 M487 L488 L503 F513 Y516	L480-L485 HydrophobicContact CD1-CD2 4.05Å; M482-L485 HydrophobicContact CE-CD1 3.54Å; M482-L485 WeakPolarHBondContact O-CG 3.34Å; M482-L485 PolarHBondContact O-N 3.21Å; M482-L485 HydrophobicContact SD-CD1 3.49Å; M482-L485 WeakPolarHBondContact SD-CD1 3.43Å; M482-L485 HydrophobicContact SD-CG 4.29Å; L485-M487 PolarHBondContact O-N 3.29Å; L485-M487 VanDerWaalsContact O-N 3.08Å; L485-L488 HydrophobicContact CD2-CD1 3.59Å; L485-L488 VanDerWaalsContact O-CB 3.32Å; L485-L488 WeakPolarHBondContact O-CB 3.41Å; L485-L488 WeakPolarHBondContact O-CG 3.47Å; L485-L488 PolarHBondContact O-N 3.1Å; L485-L503 HydrophobicContact CD2-CD2 4.28Å; L485-F513 HydrophobicContact CD2-CD2 3.66Å; L485-F513 HydrophobicContact CD2-CE2 4.18Å; L485-Y516 HydrophobicContact CB-CE1 4.24Å; L485-Y516 HydrophobicContact CD1-CD1 4.39Å; L485-Y516 PolarHBondContact O-OH 3.44Å
486	Q	89.9	Confident	95.9	Very high	112 Å²	112	32.2 Å²	32.2	52%	0.523	16%	0.16	S	C	.	.	H	α-helix	trans	-57.9	-23.4	178.6	67.7	-80.3	6	0	0	114.1	D483 R484 L488	D483-Q486 PolarHBondContact O-NE2 3.22Å; D483-Q486 PolarHBondContact O-OE1 2.81Å; R484-Q486 PolarHBondContact O-N 2.51Å; R484-Q486 VanDerWaalsContact O-N 3.11Å; Q486-L488 VanDerWaalsContact C-N 3.34Å
487	M	94.8	Very high	95.8	Very high	19 Å²	19	32.2 Å²	32.2	9%	0.094	16%	0.16	C	C	.	.	H	α-helix	trans	-76.5	-22.1	178.8	-68.7	-56.9	-61.5	0	0	112.8	R484 L485 E489 A490 I491 I564 L567 M706	R484-M487 WeakPolarHBondContact O-CB 3.16Å; R484-M487 PolarHBondContact O-N 2.95Å; L485-M487 PolarHBondContact O-N 3.29Å; L485-M487 VanDerWaalsContact O-N 3.08Å; M487-E489 PolarHBondContact O-N 2.97Å; M487-A490 PolarHBondContact O-N 3.33Å; M487-I491 HydrophobicContact CB-CD1 4.46Å; M487-I491 WeakPolarHBondContact O-CG1 3.36Å; M487-I491 PolarHBondContact O-N 2.99Å; M487-I564 HydrophobicContact CB-CG1 3.97Å; M487-I564 WeakPolarHBondContact CB-O 3.17Å; M487-I564 WeakPolarHBondContact CE-O 3.29Å; M487-L567 HydrophobicContact CE-CD2 3.71Å; M487-L567 HydrophobicContact CE-CG 3.91Å; M487-M706 HydrophobicContact CE-CB 4.07Å; M487-M706 HydrophobicContact CE-CG 3.89Å; M487-M706 HydrophobicContact SD-CB 4.27Å
488	L	95.3	Very high	95.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-50.9	-174.2	-71.5	176.4	0	0	0	112.6	L480 L485 Q486 A490 I491 C492 L501 F513 Y516 L523 I564	L480-L488 HydrophobicContact CD1-CD1 3.9Å; L480-L488 HydrophobicContact CD1-CD2 3.64Å; L480-L488 HydrophobicContact CD1-CG 3.67Å; L480-L488 HydrophobicContact CD2-CD2 4.32Å; L485-L488 HydrophobicContact CD2-CD1 3.59Å; L485-L488 VanDerWaalsContact O-CB 3.32Å; L485-L488 WeakPolarHBondContact O-CB 3.41Å; L485-L488 WeakPolarHBondContact O-CG 3.47Å; L485-L488 PolarHBondContact O-N 3.1Å; Q486-L488 VanDerWaalsContact C-N 3.34Å; L488-A490 VanDerWaalsContact C-N 3.26Å; L488-A490 PolarHBondContact O-N 3.13Å; L488-I491 PolarHBondContact O-N 3.48Å; L488-C492 WeakPolarHBondContact O-CB 3.06Å; L488-C492 PolarHBondContact O-N 3.14Å; L488-C492 PolarHBondContact O-SG 3.29Å; L488-C492 VanDerWaalsContact O-SG 3.41Å; L488-L501 HydrophobicContact CD2-CD1 3.34Å; L488-F513 HydrophobicContact CD1-CE2 3.92Å; L488-Y516 HydrophobicContact CD1-CE1 4.35Å; L488-L523 HydrophobicContact CB-CD2 4.37Å; L488-I564 HydrophobicContact CD2-CD1 3.93Å
489	E	95.4	Very high	95.8	Very high	52 Å²	52	32.1 Å²	32.1	24%	0.243	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-37.9	178.6	-75.1	-170.9	-163.8	0	0	112.3	M487 C492 K493 S520 V522 L523	M487-E489 PolarHBondContact O-N 2.97Å; E489-C492 PolarHBondContact O-N 3.05Å; E489-K493 WeakPolarHBondContact O-CG 3.37Å; E489-K493 PolarHBondContact O-N 3.41Å; E489-K493 VanDerWaalsContact O-N 3.1Å; E489-K493 IonicContact OE2-NZ 3.5Å; E489-S520 WeakPolarHBondContact CG-OG 3.44Å; E489-S520 VanDerWaalsContact OE1-CB 3.29Å; E489-S520 WeakPolarHBondContact OE1-CB 3.2Å; E489-S520 PolarHBondContact OE1-OG 2.89Å; E489-V522 HydrophobicContact CG-CB 4.44Å; E489-L523 HydrophobicContact CG-CD1 4.39Å; E489-L523 HydrophobicContact CG-CD2 4.42Å; E489-L523 HydrophobicContact CG-CG 4.17Å
490	A	95.4	Very high	95.8	Very high	27 Å²	27	31.4 Å²	31.4	22%	0.223	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-44.2	-180	0	0	0	0	0	110.9	M487 L488 C492 K493 H494 L567	M487-A490 PolarHBondContact O-N 3.33Å; L488-A490 VanDerWaalsContact C-N 3.26Å; L488-A490 PolarHBondContact O-N 3.13Å; A490-C492 PolarHBondContact O-N 3.01Å; A490-K493 PolarHBondContact O-N 3.01Å; A490-K493 VanDerWaalsContact O-N 3.13Å; A490-H494 PolarHBondContact O-CD2 2.96Å; A490-H494 PolarHBondContact O-N 3.1Å; A490-H494 VanDerWaalsContact O-N 3.11Å; A490-L567 HydrophobicContact CB-CD1 4.37Å; A490-L567 HydrophobicContact CB-CD2 3.6Å
491	I	97	Very high	95.9	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-46.3	174.2	-70.9	168.4	0	0	0	110.6	L476 M487 L488 K493 H494 W495 I499 I564 L567	L476-I491 HydrophobicContact CD1-CG2 4.11Å; L476-I491 HydrophobicContact CD2-CG2 4.47Å; M487-I491 HydrophobicContact CB-CD1 4.46Å; M487-I491 WeakPolarHBondContact O-CG1 3.36Å; M487-I491 PolarHBondContact O-N 2.99Å; L488-I491 PolarHBondContact O-N 3.48Å; I491-K493 PolarHBondContact O-N 3.47Å; I491-K493 VanDerWaalsContact O-N 3.15Å; I491-H494 CarbonylContact O-C 3.53Å; I491-H494 PolarHBondContact O-N 3.41Å; I491-W495 HydrophobicContact CG2-CB 4.43Å; I491-W495 WeakPolarHBondContact O-CB 3.4Å; I491-W495 PolarHBondContact O-N 2.84Å; I491-I499 HydrophobicContact CG2-CD1 3.93Å; I491-I564 HydrophobicContact CD1-CD1 3.44Å; I491-I564 VanDerWaalsContact CD1-CD1 3.44Å; I491-I564 HydrophobicContact CD1-CG1 3.98Å; I491-I564 VanDerWaalsContact CD1-O 3.32Å; I491-I564 WeakPolarHBondContact CD1-O 2.92Å; I491-L567 HydrophobicContact CG1-CD2 3.97Å
492	C	96.9	Very high	96	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-21.4	177	-76.3	0	0	0	0	113.9	L488 E489 A490 V522 L523 R526	L488-C492 WeakPolarHBondContact O-CB 3.06Å; L488-C492 PolarHBondContact O-N 3.14Å; L488-C492 PolarHBondContact O-SG 3.29Å; L488-C492 VanDerWaalsContact O-SG 3.41Å; E489-C492 PolarHBondContact O-N 3.05Å; A490-C492 PolarHBondContact O-N 3.01Å; C492-V522 HydrophobicContact CB-CG1 3.85Å; C492-L523 HydrophobicContact CB-CD2 4.34Å; C492-R526 PolarHBondContact O-NH1 2.91Å
493	K	95.8	Very high	96.2	Very high	105 Å²	105	28.5 Å²	28.5	46%	0.457	14%	0.14	S	C	.	.	H	α-helix	trans	-86.3	-25.3	172.5	-72.3	167.5	-175.3	165.2	0	113.1	E489 A490 I491 V522	E489-K493 WeakPolarHBondContact O-CG 3.37Å; E489-K493 PolarHBondContact O-N 3.41Å; E489-K493 VanDerWaalsContact O-N 3.1Å; E489-K493 IonicContact OE2-NZ 3.5Å; A490-K493 PolarHBondContact O-N 3.01Å; A490-K493 VanDerWaalsContact O-N 3.13Å; I491-K493 PolarHBondContact O-N 3.47Å; I491-K493 VanDerWaalsContact O-N 3.15Å; K493-V522 VanDerWaalsContact CE-CG2 3.48Å; K493-V522 HydrophobicContact CG-CG1 4.32Å
494	H	97	Very high	96.5	Very high	16 Å²	16	25.4 Å²	25.4	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-95.3	-21	-176.9	-81.9	-110.9	0	0	0	113.2	A490 I491 P568 Y570 F606	A490-H494 PolarHBondContact O-CD2 2.96Å; A490-H494 PolarHBondContact O-N 3.1Å; A490-H494 VanDerWaalsContact O-N 3.11Å; I491-H494 CarbonylContact O-C 3.53Å; I491-H494 PolarHBondContact O-N 3.41Å; H494-P568 HydrophobicContact CB-CG 3.94Å; H494-P568 PolarHBondContact ND1-O 2.86Å; H494-Y570 AromaticContact CD2-CZ 3.87Å; H494-Y570 AromaticContact CE1-CE2 3.45Å; H494-Y570 VanDerWaalsContact CE1-CE2 3.45Å; H494-Y570 WeakPolarHBondContact CE1-CE2 3.46Å; H494-Y570 AromaticContact CE1-CZ 3.43Å; H494-Y570 VanDerWaalsContact CE1-CZ 3.43Å; H494-Y570 PolarHBondContact CE1-OH 2.78Å; H494-Y570 AromaticContact ND1-CE2 3.9Å; H494-Y570 AromaticContact ND1-CZ 3.83Å; H494-Y570 AromaticContact NE2-CE2 3.93Å; H494-Y570 AromaticContact NE2-CZ 3.45Å; H494-Y570 PolarHBondContact NE2-OH 2.47Å; H494-F606 AromaticContact CE1-CD1 3.71Å; H494-F606 AromaticContact CE1-CD2 3.54Å; H494-F606 AromaticContact CE1-CE1 3.93Å; H494-F606 AromaticContact CE1-CE2 3.74Å; H494-F606 AromaticContact CE1-CG 3.52Å; H494-F606 AromaticContact CE1-CZ 3.94Å; H494-F606 AromaticContact ND1-CZ 3.94Å
495	W	97.9	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.			trans	-124.6	103.4	-175.8	-177.3	-94	0	0	0	111.4	V474 L476 I491 G497 P498 I499 R526 F560 P568 L572 Y573 L576	V474-W495 HydrophobicContact CB-CH2 4.41Å; V474-W495 HydrophobicContact CB-CZ2 4.44Å; V474-W495 HydrophobicContact CG1-CH2 4.23Å; V474-W495 HydrophobicContact CG1-CZ2 4.41Å; V474-W495 WeakPolarHBondContact O-CZ2 3.4Å; L476-W495 HydrophobicContact CB-CD2 3.99Å; L476-W495 HydrophobicContact CB-CG 4.19Å; L476-W495 HydrophobicContact CB-CZ2 3.96Å; L476-W495 HydrophobicContact CD1-CB 4.22Å; L476-W495 HydrophobicContact CD1-CD2 3.88Å; L476-W495 HydrophobicContact CD1-CE3 4.17Å; L476-W495 HydrophobicContact CD1-CG 3.9Å; I491-W495 HydrophobicContact CG2-CB 4.43Å; I491-W495 WeakPolarHBondContact O-CB 3.4Å; I491-W495 PolarHBondContact O-N 2.84Å; W495-G497 VanDerWaalsContact NE1-C 3.27Å; W495-G497 PolarHBondContact NE1-O 3.07Å; W495-P498 PolarHBondContact NE1-O 3.42Å; W495-I499 VanDerWaalsContact CD1-CG1 3.47Å; W495-I499 HydrophobicContact CG-CG1 4.49Å; W495-R526 VanDerWaalsContact O-CZ 3.28Å; W495-R526 PolarHBondContact O-NH1 3.43Å; W495-R526 PolarHBondContact O-NH2 3.48Å; W495-R526 VanDerWaalsContact O-NH2 3.11Å; W495-F560 HydrophobicContact CH2-CB 4.32Å; W495-F560 HydrophobicContact CH2-CD1 4.01Å; W495-F560 AromaticContact CZ3-CD1 3.88Å; W495-F560 HydrophobicContact CZ3-CD1 3.88Å; W495-F560 HydrophobicContact CZ3-CE1 4.46Å; W495-P568 HydrophobicContact CB-CG 4.14Å; W495-P568 HydrophobicContact CE3-CB 4.42Å; W495-P568 HydrophobicContact CE3-CG 4.21Å; W495-L572 HydrophobicContact CZ3-CB 4.26Å; W495-L572 HydrophobicContact CZ3-CD2 4.16Å; W495-L572 HydrophobicContact CZ3-CG 4.07Å; W495-Y573 HydrophobicContact CH2-CD2 4.07Å; W495-Y573 AromaticContact CZ2-CD2 3.7Å; W495-Y573 HydrophobicContact CZ2-CD2 3.7Å; W495-Y573 HydrophobicContact CZ2-CG 4.33Å; W495-L576 HydrophobicContact CH2-CD1 3.7Å; W495-L576 HydrophobicContact CZ3-CD1 3.86Å
496	E	95.9	Very high	96.9	Very high	134 Å²	134	25.9 Å²	25.9	63%	0.626	13%	0.13	S	C	*	.			trans	-73.5	-28.4	-179.4	-60	-63.6	170.9	0	0	113.1	R526 N528	E496-R526 PolarHBondContact O-NH2 2.96Å; E496-R526 VanDerWaalsContact O-NH2 3.12Å; E496-N528 PolarHBondContact O-ND2 3.49Å
497	G	97.1	Very high	97.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	-67.6	178.7	-177.7	0	0	0	0	0	114.6	W495 R526 N528	W495-G497 VanDerWaalsContact NE1-C 3.27Å; W495-G497 PolarHBondContact NE1-O 3.07Å; G497-R526 PolarHBondContact O-NH2 3.18Å; G497-N528 PolarHBondContact O-ND2 2.84Å
498	P	98.4	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.			trans	-65.1	150.3	177.1	27.4	-33.5	0	0	0	111.6	Y465 T475 L476 W495 N528 T556	Y465-P498 HydrophobicContact CD1-CB 4.06Å; Y465-P498 HydrophobicContact CD1-CG 4.28Å; Y465-P498 HydrophobicContact CD2-CB 4.14Å; Y465-P498 HydrophobicContact CE1-CB 3.96Å; Y465-P498 HydrophobicContact CE1-CG 3.67Å; Y465-P498 HydrophobicContact CE2-CB 4.05Å; Y465-P498 HydrophobicContact CE2-CG 4.01Å; Y465-P498 HydrophobicContact CG-CB 4.13Å; Y465-P498 WeakPolarHBondContact OH-CD 3.47Å; T475-P498 WeakPolarHBondContact CA-O 3.37Å; T475-P498 WeakPolarHBondContact OG1-CG 3.35Å; L476-P498 PolarHBondContact N-O 3.18Å; W495-P498 PolarHBondContact NE1-O 3.42Å; P498-N528 VanDerWaalsContact CA-O 3.3Å; P498-N528 WeakPolarHBondContact CA-O 3.28Å; P498-T556 HydrophobicContact CG-CG2 3.76Å
499	I	98.8	Very high	97.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.8	178.3	-51.9	179	0	0	0	109.2	L476 I491 W495 L501 N528 V529 G530	L476-I499 HydrophobicContact CB-CG1 4.36Å; L476-I499 HydrophobicContact CD2-CG2 4.04Å; L476-I499 CarbonylContact O-C 3.56Å; L476-I499 VanDerWaalsContact O-CA 3.3Å; L476-I499 WeakPolarHBondContact O-CA 3.34Å; L476-I499 WeakPolarHBondContact O-CG2 3.43Å; I491-I499 HydrophobicContact CG2-CD1 3.93Å; W495-I499 VanDerWaalsContact CD1-CG1 3.47Å; W495-I499 HydrophobicContact CG-CG1 4.49Å; I499-L501 HydrophobicContact CG2-CD1 4.17Å; I499-L501 HydrophobicContact CG2-CD2 3.74Å; I499-L501 HydrophobicContact CG2-CG 3.66Å; I499-N528 PolarHBondContact N-O 3.32Å; I499-V529 HydrophobicContact CB-CB 4.46Å; I499-V529 HydrophobicContact CB-CG1 4.06Å; I499-V529 HydrophobicContact CB-CG2 4.2Å; I499-V529 HydrophobicContact CD1-CG2 4.13Å; I499-V529 HydrophobicContact CG1-CG2 4.33Å; I499-V529 HydrophobicContact CG2-CG1 4.36Å; I499-V529 CarbonylContact O-C 3.59Å; I499-V529 WeakPolarHBondContact O-CA 3.48Å; I499-G530 PolarHBondContact O-N 3.24Å
500	S	98.8	Very high	97.7	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.4	165.2	-178.5	0	0	0	0	110.3	L476 V477 A478 H532 A550	L476-S500 PolarHBondContact O-N 3.14Å; V477-S500 WeakPolarHBondContact CA-O 3.36Å; A478-S500 PolarHBondContact N-O 2.89Å; A478-S500 VanDerWaalsContact N-O 3.13Å; S500-H532 PolarHBondContact OG-CD2 3.35Å; S500-H532 PolarHBondContact OG-NE2 3.48Å; S500-H532 VanDerWaalsContact OG-NE2 3.16Å; S500-A550 WeakPolarHBondContact OG-CA 3.31Å; S500-A550 PolarHBondContact OG-O 3Å
501	L	98.6	Very high	97.7	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127	-174.1	-62.7	173	0	0	0	111.2	A478 L480 L488 I499 L503 V529 G530 Y531 H532 I564	A478-L501 HydrophobicContact CB-CD2 3.8Å; A478-L501 WeakPolarHBondContact O-CA 3.31Å; L480-L501 HydrophobicContact CD2-CB 4.25Å; L480-L501 HydrophobicContact CD2-CD2 4.36Å; L488-L501 HydrophobicContact CD2-CD1 3.34Å; I499-L501 HydrophobicContact CG2-CD1 4.17Å; I499-L501 HydrophobicContact CG2-CD2 3.74Å; I499-L501 HydrophobicContact CG2-CG 3.66Å; L501-L503 HydrophobicContact CB-CD1 4.11Å; L501-V529 HydrophobicContact CD1-CG1 3.9Å; L501-G530 PolarHBondContact N-O 2.94Å; L501-Y531 HydrophobicContact CD1-CD1 4.07Å; L501-Y531 HydrophobicContact CD1-CE1 3.94Å; L501-H532 PolarHBondContact O-CD2 2.99Å; L501-H532 PolarHBondContact O-N 3.46Å; L501-I564 HydrophobicContact CD2-CD1 4.15Å
502	A	98.8	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.8	164.4	0	0	0	0	0	110.3	A478 Q479 L480 H532 L546 V549 A550	A478-A502 PolarHBondContact O-N 3.01Å; Q479-A502 CarbonylContact C-O 3.48Å; Q479-A502 WeakPolarHBondContact CA-O 3.48Å; Q479-A502 HydrophobicContact CB-CB 4.24Å; L480-A502 PolarHBondContact N-O 3.09Å; A502-H532 CarbonylContact C-O 3.55Å; A502-H532 WeakPolarHBondContact CA-O 3.45Å; A502-L546 HydrophobicContact CB-CB 3.95Å; A502-L546 HydrophobicContact CB-CD2 4.19Å; A502-L546 WeakPolarHBondContact CB-O 3.46Å; A502-V549 HydrophobicContact CB-CB 4.33Å; A502-V549 HydrophobicContact CB-CG1 4.32Å; A502-A550 HydrophobicContact CB-CB 4.18Å
503	L	98.7	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.9	-179.3	-61.3	93.1	0	0	0	110.1	L480 L485 L501 L505 F513 Y531 H532 I533 V534	L480-L503 HydrophobicContact CD2-CD1 4.48Å; L480-L503 HydrophobicContact CD2-CD2 4.17Å; L480-L503 HydrophobicContact CD2-CG 3.7Å; L480-L503 HydrophobicContact CG-CD2 4.42Å; L480-L503 HydrophobicContact CG-CG 4.29Å; L480-L503 CarbonylContact O-C 3.49Å; L480-L503 VanDerWaalsContact O-CA 3.31Å; L480-L503 WeakPolarHBondContact O-CA 3.41Å; L485-L503 HydrophobicContact CD2-CD2 4.28Å; L501-L503 HydrophobicContact CB-CD1 4.11Å; L503-L505 HydrophobicContact CB-CD1 3.92Å; L503-L505 HydrophobicContact CB-CD2 4.48Å; L503-L505 HydrophobicContact CB-CG 3.88Å; L503-L505 HydrophobicContact CD2-CD1 4.21Å; L503-L505 PolarHBondContact O-N 2.84Å; L503-F513 HydrophobicContact CD2-CD1 4.16Å; L503-F513 HydrophobicContact CD2-CD2 3.78Å; L503-F513 HydrophobicContact CD2-CE1 4.07Å; L503-F513 HydrophobicContact CD2-CE2 3.69Å; L503-F513 HydrophobicContact CD2-CG 4.02Å; L503-F513 HydrophobicContact CD2-CZ 3.86Å; L503-Y531 HydrophobicContact CD1-CD1 4.08Å; L503-H532 PolarHBondContact N-O 2.69Å; L503-I533 HydrophobicContact CB-CD1 3.81Å; L503-I533 HydrophobicContact CD1-CD1 4.04Å; L503-I533 HydrophobicContact CD2-CD1 4.47Å; L503-I533 HydrophobicContact CG-CD1 4.3Å; L503-V534 PolarHBondContact O-N 3.17Å
504	Y	98.3	Very high	97.8	Very high	16 Å²	16	19.4 Å²	19.4	6%	0.063	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	93.5	179.3	-170.1	-124.5	0	0	0	111.4	H454 L480 V534 K536 E537 Y541 P542 L546	H454-Y504 AromaticContact CE1-CE2 4Å; H454-Y504 AromaticContact ND1-CE2 3.87Å; L480-Y504 PolarHBondContact O-N 3.39Å; Y504-V534 WeakPolarHBondContact CA-O 3.33Å; Y504-V534 HydrophobicContact CD2-CB 4.5Å; Y504-V534 HydrophobicContact CD2-CG1 4.33Å; Y504-V534 WeakPolarHBondContact CD2-O 3.21Å; Y504-K536 HydrophobicContact CD1-CG 3.9Å; Y504-K536 HydrophobicContact CD2-CG 4.23Å; Y504-K536 HydrophobicContact CE1-CB 4.46Å; Y504-K536 HydrophobicContact CE1-CG 3.73Å; Y504-K536 HydrophobicContact CE2-CB 4.32Å; Y504-K536 HydrophobicContact CE2-CG 4.04Å; Y504-K536 HydrophobicContact CG-CG 4.16Å; Y504-K536 WeakPolarHBondContact O-CE 3.37Å; Y504-E537 PolarHBondContact OH-N 2.88Å; Y504-E537 PolarHBondContact OH-O 3.11Å; Y504-Y541 AromaticContact CD1-CD2 3.47Å; Y504-Y541 HydrophobicContact CD1-CD2 3.47Å; Y504-Y541 VanDerWaalsContact CD1-CD2 3.47Å; Y504-Y541 AromaticContact CD1-CE2 3.48Å; Y504-Y541 HydrophobicContact CD1-CE2 3.48Å; Y504-Y541 VanDerWaalsContact CD1-CE2 3.48Å; Y504-Y541 AromaticContact CE1-CD2 3.99Å; Y504-Y541 HydrophobicContact CE1-CD2 3.99Å; Y504-Y541 HydrophobicContact CE1-CE2 4.42Å; Y504-Y541 HydrophobicContact CG-CD2 4.26Å; Y504-Y541 AromaticContact CG-CE2 3.91Å; Y504-Y541 HydrophobicContact CG-CE2 3.91Å; Y504-P542 HydrophobicContact CD2-CG 4.09Å; Y504-P542 HydrophobicContact CE2-CG 3.75Å; Y504-L546 HydrophobicContact CD2-CD2 4.14Å; Y504-L546 HydrophobicContact CG-CD1 4.23Å; Y504-L546 HydrophobicContact CG-CD2 4.42Å
505	L	98.3	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.1	-166.8	-53.2	-176.9	0	0	0	112.4	M482 L503 E509 A510 F513 I533 V534 Y535 K536	M482-L505 HydrophobicContact CG-CD2 3.59Å; M482-L505 HydrophobicContact SD-CD2 3.63Å; L503-L505 HydrophobicContact CB-CD1 3.92Å; L503-L505 HydrophobicContact CB-CD2 4.48Å; L503-L505 HydrophobicContact CB-CG 3.88Å; L503-L505 HydrophobicContact CD2-CD1 4.21Å; L503-L505 PolarHBondContact O-N 2.84Å; L505-E509 WeakPolarHBondContact CA-OE2 3.48Å; L505-E509 HydrophobicContact CB-CB 3.91Å; L505-E509 HydrophobicContact CD2-CB 4.27Å; L505-A510 HydrophobicContact CD1-CB 4.37Å; L505-F513 HydrophobicContact CD1-CB 3.79Å; L505-F513 HydrophobicContact CD1-CD1 4.45Å; L505-F513 HydrophobicContact CD1-CG 4.18Å; L505-I533 HydrophobicContact CB-CG2 4.18Å; L505-I533 HydrophobicContact CD1-CD1 3.89Å; L505-V534 PolarHBondContact N-O 3.41Å; L505-V534 VanDerWaalsContact N-O 3.17Å; L505-Y535 CarbonylContact O-C 3.59Å; L505-Y535 WeakPolarHBondContact O-CA 3.43Å; L505-K536 PolarHBondContact O-N 3.26Å
506	S	98.1	Very high	97.6	Very high	41 Å²	41	28 Å²	28	29%	0.287	13%	0.132	S	C	.	.			trans	-73.3	168.9	160.5	72.6	0	0	0	0	111.1	A508 E509 A510	S506-A508 VanDerWaalsContact C-N 3.29Å; S506-A508 PolarHBondContact O-N 3.17Å; S506-E509 PolarHBondContact N-OE2 3.17Å; S506-E509 PolarHBondContact O-N 3.22Å; S506-E509 WeakPolarHBondContact OG-CB 3.43Å; S506-E509 WeakPolarHBondContact OG-CG 3.47Å; S506-E509 PolarHBondContact OG-N 3.38Å; S506-E509 VanDerWaalsContact OG-N 3.13Å; S506-E509 PolarHBondContact OG-OE2 2.78Å; S506-A510 WeakPolarHBondContact O-CB 3.07Å; S506-A510 PolarHBondContact O-N 2.85Å
507	D	98	Very high	97.7	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.032	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-41.8	173.8	-67.5	-93.9	0	0	0	112.7	K158 G409 R455 A510 Q511 Y535	K158-D507 WeakPolarHBondContact CE-OD1 3.37Å; K158-D507 IonicContact NZ-OD1 3.97Å; K158-D507 PolarHBondContact NZ-OD1 2.89Å; G409-D507 PolarHBondContact N-OD2 3.41Å; R455-D507 IonicContact CZ-OD1 2.86Å; R455-D507 IonicContact CZ-OD2 3.57Å; R455-D507 IonicContact NH1-OD1 3.8Å; R455-D507 PolarHBondContact NH1-OD1 2.73Å; R455-D507 IonicContact NH2-OD1 3.96Å; R455-D507 PolarHBondContact NH2-OD1 2.86Å; R455-D507 IonicContact NH2-OD2 2.63Å; R455-D507 PolarHBondContact NH2-OD2 2.86Å; D507-A510 PolarHBondContact O-N 2.96Å; D507-Q511 WeakPolarHBondContact O-CG 3.22Å; D507-Q511 PolarHBondContact O-N 3.35Å; D507-Y535 HydrophobicContact CB-CE1 4.41Å; D507-Y535 WeakPolarHBondContact OD1-CE1 3.5Å
508	A	97.6	Very high	97.5	Very high	23 Å²	23	26.7 Å²	26.7	19%	0.19	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-43.5	175.7	0	0	0	0	0	112.2	E406 S506 A510 Q511 Q512	E406-A508 HydrophobicContact CB-CB 4.1Å; E406-A508 HydrophobicContact CG-CB 4.21Å; S506-A508 VanDerWaalsContact C-N 3.29Å; S506-A508 PolarHBondContact O-N 3.17Å; A508-A510 VanDerWaalsContact C-N 3.34Å; A508-A510 PolarHBondContact O-N 2.82Å; A508-Q511 PolarHBondContact O-N 3.23Å; A508-Q512 WeakPolarHBondContact O-CG 3.39Å; A508-Q512 PolarHBondContact O-N 2.84Å; A508-Q512 VanDerWaalsContact O-N 3.07Å
509	E	98.3	Very high	97.4	Very high	38 Å²	38	30 Å²	30	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-34.9	176.8	-72.7	173.7	149.1	0	0	112	M482 L505 S506 Q511 Q512 F513 K536	M482-E509 HydrophobicContact CG-CB 3.77Å; M482-E509 VanDerWaalsContact CG-CD 3.48Å; M482-E509 HydrophobicContact CG-CG 3.64Å; M482-E509 WeakPolarHBondContact CG-OE1 3.45Å; M482-E509 HydrophobicContact SD-CB 3.9Å; M482-E509 HydrophobicContact SD-CG 4.28Å; L505-E509 WeakPolarHBondContact CA-OE2 3.48Å; L505-E509 HydrophobicContact CB-CB 3.91Å; L505-E509 HydrophobicContact CD2-CB 4.27Å; S506-E509 PolarHBondContact N-OE2 3.17Å; S506-E509 PolarHBondContact O-N 3.22Å; S506-E509 WeakPolarHBondContact OG-CB 3.43Å; S506-E509 WeakPolarHBondContact OG-CG 3.47Å; S506-E509 PolarHBondContact OG-N 3.38Å; S506-E509 VanDerWaalsContact OG-N 3.13Å; S506-E509 PolarHBondContact OG-OE2 2.78Å; E509-Q511 VanDerWaalsContact C-N 3.26Å; E509-Q511 PolarHBondContact O-N 3.36Å; E509-Q512 CarbonylContact O-C 3.21Å; E509-Q512 WeakPolarHBondContact O-CB 3.49Å; E509-Q512 PolarHBondContact O-N 2.87Å; E509-Q512 VanDerWaalsContact O-N 3.11Å; E509-F513 WeakPolarHBondContact O-CB 3.45Å; E509-F513 PolarHBondContact O-N 3.13Å; E509-K536 IonicContact OE1-NZ 3.35Å; E509-K536 PolarHBondContact OE1-NZ 3.01Å; E509-K536 WeakPolarHBondContact OE2-CD 3.4Å; E509-K536 WeakPolarHBondContact OE2-CE 3.4Å; E509-K536 IonicContact OE2-NZ 2.83Å; E509-K536 PolarHBondContact OE2-NZ 3.12Å
510	A	98.2	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-36.1	173.9	0	0	0	0	0	111.8	F460 L505 S506 D507 A508 F513 L514 I533 Y535	F460-A510 HydrophobicContact CE1-CB 4.33Å; F460-A510 WeakPolarHBondContact CE1-O 3.37Å; F460-A510 HydrophobicContact CE2-CB 4.49Å; F460-A510 HydrophobicContact CZ-CB 3.91Å; L505-A510 HydrophobicContact CD1-CB 4.37Å; S506-A510 WeakPolarHBondContact O-CB 3.07Å; S506-A510 PolarHBondContact O-N 2.85Å; D507-A510 PolarHBondContact O-N 2.96Å; A508-A510 VanDerWaalsContact C-N 3.34Å; A508-A510 PolarHBondContact O-N 2.82Å; A510-F513 PolarHBondContact O-N 3.28Å; A510-L514 PolarHBondContact O-N 2.98Å; A510-I533 HydrophobicContact CB-CG2 4.27Å; A510-Y535 HydrophobicContact CB-CE1 4.37Å
511	Q	95.9	Very high	97.1	Very high	19 Å²	19	38.4 Å²	38.4	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-36.4	173	-57.9	-51.1	-43.6	0	0	112.8	L405 D507 A508 E509 F513 L514 R515	L405-Q511 HydrophobicContact CD1-CG 4.3Å; L405-Q511 HydrophobicContact CD2-CG 3.71Å; L405-Q511 HydrophobicContact CG-CG 3.7Å; D507-Q511 WeakPolarHBondContact O-CG 3.22Å; D507-Q511 PolarHBondContact O-N 3.35Å; A508-Q511 PolarHBondContact O-N 3.23Å; E509-Q511 VanDerWaalsContact C-N 3.26Å; E509-Q511 PolarHBondContact O-N 3.36Å; Q511-F513 VanDerWaalsContact C-N 3.33Å; Q511-L514 PolarHBondContact O-N 3.44Å; Q511-R515 WeakPolarHBondContact O-CG 3.23Å; Q511-R515 PolarHBondContact O-N 3.49Å; Q511-R515 VanDerWaalsContact O-N 3.09Å
512	Q	96.9	Very high	97	Very high	89 Å²	89	39.8 Å²	39.8	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-43.1	172.6	-66.7	173.8	19.4	0	0	110.8	M482 A508 E509 R515 Y516	M482-Q512 HydrophobicContact CE-CB 3.95Å; A508-Q512 WeakPolarHBondContact O-CG 3.39Å; A508-Q512 PolarHBondContact O-N 2.84Å; A508-Q512 VanDerWaalsContact O-N 3.07Å; E509-Q512 CarbonylContact O-C 3.21Å; E509-Q512 WeakPolarHBondContact O-CB 3.49Å; E509-Q512 PolarHBondContact O-N 2.87Å; E509-Q512 VanDerWaalsContact O-N 3.11Å; Q512-R515 VanDerWaalsContact CG-NH2 3.35Å; Q512-R515 PolarHBondContact O-N 2.97Å; Q512-Y516 WeakPolarHBondContact O-CB 3.42Å; Q512-Y516 PolarHBondContact O-N 2.9Å
513	F	97.9	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174	169.5	-108.9	0	0	0	111.9	F460 L461 L485 L488 L503 L505 E509 A510 Q511 R515 Y516 A517 Y531 I533	F460-F513 HydrophobicContact CD1-CD1 4.1Å; F460-F513 HydrophobicContact CD1-CE1 4.22Å; F460-F513 HydrophobicContact CE1-CD1 4.36Å; L461-F513 HydrophobicContact CD1-CE1 3.93Å; L461-F513 HydrophobicContact CD1-CZ 3.89Å; L461-F513 HydrophobicContact CG-CE1 4.28Å; L485-F513 HydrophobicContact CD2-CD2 3.66Å; L485-F513 HydrophobicContact CD2-CE2 4.18Å; L488-F513 HydrophobicContact CD1-CE2 3.92Å; L503-F513 HydrophobicContact CD2-CD1 4.16Å; L503-F513 HydrophobicContact CD2-CD2 3.78Å; L503-F513 HydrophobicContact CD2-CE1 4.07Å; L503-F513 HydrophobicContact CD2-CE2 3.69Å; L503-F513 HydrophobicContact CD2-CG 4.02Å; L503-F513 HydrophobicContact CD2-CZ 3.86Å; L505-F513 HydrophobicContact CD1-CB 3.79Å; L505-F513 HydrophobicContact CD1-CD1 4.45Å; L505-F513 HydrophobicContact CD1-CG 4.18Å; E509-F513 WeakPolarHBondContact O-CB 3.45Å; E509-F513 PolarHBondContact O-N 3.13Å; A510-F513 PolarHBondContact O-N 3.28Å; Q511-F513 VanDerWaalsContact C-N 3.33Å; F513-R515 VanDerWaalsContact C-N 3.31Å; F513-R515 PolarHBondContact O-N 3.47Å; F513-Y516 HydrophobicContact CD2-CD1 4.42Å; F513-Y516 WeakPolarHBondContact O-CB 3.37Å; F513-Y516 PolarHBondContact O-N 2.8Å; F513-Y516 VanDerWaalsContact O-N 3.16Å; F513-A517 HydrophobicContact CE2-CB 4.26Å; F513-A517 HydrophobicContact CZ-CB 4.21Å; F513-A517 WeakPolarHBondContact O-CB 3.31Å; F513-A517 PolarHBondContact O-N 3.44Å; F513-Y531 HydrophobicContact CE1-CD1 4.11Å; F513-Y531 HydrophobicContact CE1-CG 4.33Å; F513-Y531 HydrophobicContact CE2-CD1 4.27Å; F513-Y531 HydrophobicContact CE2-CE1 4.31Å; F513-Y531 AromaticContact CZ-CD1 3.39Å; F513-Y531 HydrophobicContact CZ-CD1 3.39Å; F513-Y531 AromaticContact CZ-CE1 3.7Å; F513-Y531 HydrophobicContact CZ-CE1 3.7Å; F513-Y531 AromaticContact CZ-CG 3.99Å; F513-Y531 HydrophobicContact CZ-CG 3.99Å; F513-I533 HydrophobicContact CD1-CD1 4.19Å; F513-I533 HydrophobicContact CE1-CD1 4.43Å
514	L	96.4	Very high	96.6	Very high	15 Å²	15	45 Å²	45	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-47	175.8	-180	60.6	0	0	0	111.5	F460 L461 A510 Q511 A517 Q518	F460-L514 HydrophobicContact CE1-CB 4.15Å; L461-L514 HydrophobicContact CD2-CD1 3.39Å; A510-L514 PolarHBondContact O-N 2.98Å; Q511-L514 PolarHBondContact O-N 3.44Å; L514-A517 PolarHBondContact O-N 2.9Å; L514-Q518 HydrophobicContact CD1-CG 4.18Å; L514-Q518 WeakPolarHBondContact O-CB 3.21Å; L514-Q518 VanDerWaalsContact O-CG 3.22Å; L514-Q518 WeakPolarHBondContact O-CG 3.48Å; L514-Q518 PolarHBondContact O-N 3.23Å
515	R	95.3	Very high	96.4	Very high	129 Å²	129	48.3 Å²	48.3	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-41.1	177.4	-70	-173.3	-66.2	-95.9	9.5	112.2	Q511 Q512 F513 G519	Q511-R515 WeakPolarHBondContact O-CG 3.23Å; Q511-R515 PolarHBondContact O-N 3.49Å; Q511-R515 VanDerWaalsContact O-N 3.09Å; Q512-R515 VanDerWaalsContact CG-NH2 3.35Å; Q512-R515 PolarHBondContact O-N 2.97Å; F513-R515 VanDerWaalsContact C-N 3.31Å; F513-R515 PolarHBondContact O-N 3.47Å; R515-G519 PolarHBondContact O-N 3.34Å
516	Y	96.3	Very high	96.2	Very high	69 Å²	69	49.5 Å²	49.5	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-50.6	176.1	171	-102.2	0	0	0	111.3	L485 L488 Q512 F513 Q518 G519 S520 L523	L485-Y516 HydrophobicContact CB-CE1 4.24Å; L485-Y516 HydrophobicContact CD1-CD1 4.39Å; L485-Y516 PolarHBondContact O-OH 3.44Å; L488-Y516 HydrophobicContact CD1-CE1 4.35Å; Q512-Y516 WeakPolarHBondContact O-CB 3.42Å; Q512-Y516 PolarHBondContact O-N 2.9Å; F513-Y516 HydrophobicContact CD2-CD1 4.42Å; F513-Y516 WeakPolarHBondContact O-CB 3.37Å; F513-Y516 PolarHBondContact O-N 2.8Å; F513-Y516 VanDerWaalsContact O-N 3.16Å; Y516-Q518 PolarHBondContact O-N 2.99Å; Y516-G519 PolarHBondContact O-N 3.43Å; Y516-S520 PolarHBondContact O-N 2.71Å; Y516-L523 HydrophobicContact CD1-CD1 4.19Å; Y516-L523 HydrophobicContact CE1-CD1 3.69Å
517	A	96.3	Very high	96.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-44.7	179.3	0	0	0	0	0	111.9	L461 F513 L514 G519 S520 L523 M524	L461-A517 HydrophobicContact CD1-CB 3.56Å; F513-A517 HydrophobicContact CE2-CB 4.26Å; F513-A517 HydrophobicContact CZ-CB 4.21Å; F513-A517 WeakPolarHBondContact O-CB 3.31Å; F513-A517 PolarHBondContact O-N 3.44Å; L514-A517 PolarHBondContact O-N 2.9Å; A517-G519 VanDerWaalsContact C-N 3.25Å; A517-G519 PolarHBondContact O-N 3.39Å; A517-S520 PolarHBondContact O-N 2.93Å; A517-S520 VanDerWaalsContact O-N 3.12Å; A517-L523 HydrophobicContact CB-CD1 4.3Å; A517-M524 WeakPolarHBondContact O-CG 3.37Å
518	Q	93.9	Very high	96.1	Very high	106 Å²	106	52.6 Å²	52.6	50%	0.495	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-27.7	177	-73.9	176.2	-17.4	0	0	113.7	L514 Y516 S520 M524	L514-Q518 HydrophobicContact CD1-CG 4.18Å; L514-Q518 WeakPolarHBondContact O-CB 3.21Å; L514-Q518 VanDerWaalsContact O-CG 3.22Å; L514-Q518 WeakPolarHBondContact O-CG 3.48Å; L514-Q518 PolarHBondContact O-N 3.23Å; Y516-Q518 PolarHBondContact O-N 2.99Å; Q518-S520 VanDerWaalsContact C-N 3.34Å; Q518-M524 HydrophobicContact CB-SD 4.47Å; Q518-M524 HydrophobicContact CG-SD 4.22Å
519	G	95.6	Very high	96.1	Very high	69 Å²	69	51.5 Å²	51.5	71%	0.711	27%	0.265	S	S	*	.	H	α-helix	trans	-81.5	-9.4	175.7	0	0	0	0	0	114.4	R515 Y516 A517	R515-G519 PolarHBondContact O-N 3.34Å; Y516-G519 PolarHBondContact O-N 3.43Å; A517-G519 VanDerWaalsContact C-N 3.25Å; A517-G519 PolarHBondContact O-N 3.39Å
520	S	96.3	Very high	96.1	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.049	26%	0.257	C	S	.	.			trans	-102.3	116.8	-177.4	-177.4	0	0	0	0	111.5	E489 Y516 A517 Q518 V522 L523 M524	E489-S520 WeakPolarHBondContact CG-OG 3.44Å; E489-S520 VanDerWaalsContact OE1-CB 3.29Å; E489-S520 WeakPolarHBondContact OE1-CB 3.2Å; E489-S520 PolarHBondContact OE1-OG 2.89Å; Y516-S520 PolarHBondContact O-N 2.71Å; A517-S520 PolarHBondContact O-N 2.93Å; A517-S520 VanDerWaalsContact O-N 3.12Å; Q518-S520 VanDerWaalsContact C-N 3.34Å; S520-V522 PolarHBondContact O-N 2.8Å; S520-L523 PolarHBondContact O-N 2.87Å; S520-M524 WeakPolarHBondContact O-CB 3.33Å; S520-M524 WeakPolarHBondContact O-CG 3.48Å; S520-M524 PolarHBondContact O-N 2.93Å
521	E	95.3	Very high	96.2	Very high	175 Å²	175	49.9 Å²	49.9	82%	0.818	26%	0.258	S	S	*	.	H	α-helix	trans	-59.4	-34.3	176.3	-65.9	-177	172.2	0	0	112.2	S525	E521-S525 VanDerWaalsContact O-CB 3.31Å; E521-S525 WeakPolarHBondContact O-CB 3.36Å; E521-S525 PolarHBondContact O-N 3.4Å; E521-S525 VanDerWaalsContact O-N 3.12Å; E521-S525 PolarHBondContact O-OG 3.47Å
522	V	95.8	Very high	96.3	Very high	32 Å²	32	49 Å²	49	19%	0.194	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-45.3	-179.5	177.9	0	0	0	0	110.7	E489 C492 K493 S520 S525 R526	E489-V522 HydrophobicContact CG-CB 4.44Å; C492-V522 HydrophobicContact CB-CG1 3.85Å; K493-V522 VanDerWaalsContact CE-CG2 3.48Å; K493-V522 HydrophobicContact CG-CG1 4.32Å; S520-V522 PolarHBondContact O-N 2.8Å; V522-S525 PolarHBondContact O-OG 3.44Å; V522-S525 VanDerWaalsContact O-OG 3.09Å; V522-R526 WeakPolarHBondContact O-CG 3.24Å
523	L	95.9	Very high	96.4	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-74.7	-37.6	-178.6	-58.1	-179.2	0	0	0	111.3	L488 E489 C492 Y516 A517 S520 S525 R526	L488-L523 HydrophobicContact CB-CD2 4.37Å; E489-L523 HydrophobicContact CG-CD1 4.39Å; E489-L523 HydrophobicContact CG-CD2 4.42Å; E489-L523 HydrophobicContact CG-CG 4.17Å; C492-L523 HydrophobicContact CB-CD2 4.34Å; Y516-L523 HydrophobicContact CD1-CD1 4.19Å; Y516-L523 HydrophobicContact CE1-CD1 3.69Å; A517-L523 HydrophobicContact CB-CD1 4.3Å; S520-L523 PolarHBondContact O-N 2.87Å; L523-S525 VanDerWaalsContact C-N 3.32Å; L523-S525 PolarHBondContact O-N 2.84Å; L523-R526 PolarHBondContact O-N 3.15Å
524	M	93.9	Very high	96.4	Very high	102 Å²	102	44.7 Å²	44.7	50%	0.502	23%	0.234	S	C	.	.	H	α-helix	trans	-67.6	-29.3	178	-78.6	-61.9	-59.2	0	0	113.8	A517 Q518 S520 R526 H527	A517-M524 WeakPolarHBondContact O-CG 3.37Å; Q518-M524 HydrophobicContact CB-SD 4.47Å; Q518-M524 HydrophobicContact CG-SD 4.22Å; S520-M524 WeakPolarHBondContact O-CB 3.33Å; S520-M524 WeakPolarHBondContact O-CG 3.48Å; S520-M524 PolarHBondContact O-N 2.93Å; M524-R526 VanDerWaalsContact C-N 3.33Å; M524-H527 PolarHBondContact O-CE1 2.86Å; M524-H527 VanDerWaalsContact O-CE1 3.31Å
525	S	94.7	Very high	96.5	Very high	85 Å²	85	44.3 Å²	44.3	59%	0.594	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.8	177.9	54.1	0	0	0	0	113.8	E521 V522 L523	E521-S525 VanDerWaalsContact O-CB 3.31Å; E521-S525 WeakPolarHBondContact O-CB 3.36Å; E521-S525 PolarHBondContact O-N 3.4Å; E521-S525 VanDerWaalsContact O-N 3.12Å; E521-S525 PolarHBondContact O-OG 3.47Å; V522-S525 PolarHBondContact O-OG 3.44Å; V522-S525 VanDerWaalsContact O-OG 3.09Å; L523-S525 VanDerWaalsContact C-N 3.32Å; L523-S525 PolarHBondContact O-N 2.84Å
526	R	94.6	Very high	96.6	Very high	25 Å²	25	41.6 Å²	41.6	9%	0.094	22%	0.223	C	C	.	.			trans	-107.2	111	-177.3	-72.3	-167.3	65.6	129.2	1.9	112.1	C492 W495 E496 G497 V522 L523 M524 N528 V529	C492-R526 PolarHBondContact O-NH1 2.91Å; W495-R526 VanDerWaalsContact O-CZ 3.28Å; W495-R526 PolarHBondContact O-NH1 3.43Å; W495-R526 PolarHBondContact O-NH2 3.48Å; W495-R526 VanDerWaalsContact O-NH2 3.11Å; E496-R526 PolarHBondContact O-NH2 2.96Å; E496-R526 VanDerWaalsContact O-NH2 3.12Å; G497-R526 PolarHBondContact O-NH2 3.18Å; V522-R526 WeakPolarHBondContact O-CG 3.24Å; L523-R526 PolarHBondContact O-N 3.15Å; M524-R526 VanDerWaalsContact C-N 3.33Å; R526-N528 PolarHBondContact NE-OD1 3.35Å; R526-N528 PolarHBondContact NH2-ND2 3.04Å; R526-N528 PolarHBondContact NH2-OD1 2.95Å; R526-V529 HydrophobicContact CB-CG2 4.18Å
527	H	96	Very high	96.4	Very high	84 Å²	84	41 Å²	41	39%	0.389	22%	0.222	S	C	.	.			trans	-96.3	-8.7	177.3	-54.5	-43.2	0	0	0	113.4	H462 Y463 E464 M524 V529	H462-H527 AromaticContact CD2-CG 3.81Å; H462-H527 AromaticContact CD2-ND1 3.62Å; Y463-H527 CarbonylContact C-O 3.56Å; Y463-H527 VanDerWaalsContact CA-O 3.31Å; Y463-H527 WeakPolarHBondContact CA-O 3.41Å; Y463-H527 WeakPolarHBondContact CD2-O 3.48Å; E464-H527 HydrophobicContact CB-CB 4.21Å; E464-H527 PolarHBondContact N-O 2.98Å; E464-H527 CarbonylContact O-C 3.54Å; M524-H527 PolarHBondContact O-CE1 2.86Å; M524-H527 VanDerWaalsContact O-CE1 3.31Å; H527-V529 PolarHBondContact O-N 2.96Å
528	N	97.4	Very high	96	Very high	27 Å²	27	43.5 Å²	43.5	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	-87.3	22.9	177.6	70.2	-13	0	0	0	114	Y465 E496 G497 P498 I499 R526	Y465-N528 HydrophobicContact CD2-CB 3.67Å; Y465-N528 HydrophobicContact CE2-CB 4.46Å; Y465-N528 HydrophobicContact CG-CB 4.3Å; E496-N528 PolarHBondContact O-ND2 3.49Å; G497-N528 PolarHBondContact O-ND2 2.84Å; P498-N528 VanDerWaalsContact CA-O 3.3Å; P498-N528 WeakPolarHBondContact CA-O 3.28Å; I499-N528 PolarHBondContact N-O 3.32Å; R526-N528 PolarHBondContact NE-OD1 3.35Å; R526-N528 PolarHBondContact NH2-ND2 3.04Å; R526-N528 PolarHBondContact NH2-OD1 2.95Å
529	V	98.2	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.7	178.7	-175.3	0	0	0	0	109.8	I499 L501 R526 H527 Y531	I499-V529 HydrophobicContact CB-CB 4.46Å; I499-V529 HydrophobicContact CB-CG1 4.06Å; I499-V529 HydrophobicContact CB-CG2 4.2Å; I499-V529 HydrophobicContact CD1-CG2 4.13Å; I499-V529 HydrophobicContact CG1-CG2 4.33Å; I499-V529 HydrophobicContact CG2-CG1 4.36Å; I499-V529 CarbonylContact O-C 3.59Å; I499-V529 WeakPolarHBondContact O-CA 3.48Å; L501-V529 HydrophobicContact CD1-CG1 3.9Å; R526-V529 HydrophobicContact CB-CG2 4.18Å; H527-V529 PolarHBondContact O-N 2.96Å; V529-Y531 HydrophobicContact CB-CD2 4.42Å; V529-Y531 HydrophobicContact CB-CE2 3.66Å; V529-Y531 HydrophobicContact CG1-CD1 4.18Å; V529-Y531 HydrophobicContact CG1-CD2 4.08Å; V529-Y531 HydrophobicContact CG1-CE1 3.61Å; V529-Y531 HydrophobicContact CG1-CE2 3.5Å; V529-Y531 HydrophobicContact CG1-CG 4.42Å; V529-Y531 WeakPolarHBondContact CG1-OH 3.47Å; V529-Y531 WeakPolarHBondContact O-CD2 3.48Å; V529-Y531 VanDerWaalsContact O-CE2 3.29Å; V529-Y531 WeakPolarHBondContact O-CE2 3.3Å
530	G	98.1	Very high	95.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.7	174.9	0	0	0	0	0	110.8	I499 L501	I499-G530 PolarHBondContact O-N 3.24Å; L501-G530 PolarHBondContact N-O 2.94Å
531	Y	98.6	Very high	95.5	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.7	178.1	-57.4	-89.6	0	0	0	110	Y459 F460 L461 L501 L503 F513 V529	Y459-Y531 CarbonylContact C-O 3.46Å; Y459-Y531 VanDerWaalsContact CA-O 3.25Å; Y459-Y531 WeakPolarHBondContact CA-O 3.25Å; Y459-Y531 PolarHBondContact N-O 3.47Å; Y459-Y531 VanDerWaalsContact N-O 3.11Å; F460-Y531 PolarHBondContact N-O 2.7Å; L461-Y531 HydrophobicContact CB-CD2 3.75Å; L461-Y531 HydrophobicContact CB-CE2 4.19Å; L461-Y531 HydrophobicContact CD1-CD2 3.78Å; L461-Y531 HydrophobicContact CD1-CE2 3.77Å; L461-Y531 HydrophobicContact CD1-CG 4.18Å; L461-Y531 HydrophobicContact CG-CD2 4.07Å; L461-Y531 HydrophobicContact CG-CE2 4.48Å; L461-Y531 HydrophobicContact CG-CG 4.46Å; L501-Y531 HydrophobicContact CD1-CD1 4.07Å; L501-Y531 HydrophobicContact CD1-CE1 3.94Å; L503-Y531 HydrophobicContact CD1-CD1 4.08Å; F513-Y531 HydrophobicContact CE1-CD1 4.11Å; F513-Y531 HydrophobicContact CE1-CG 4.33Å; F513-Y531 HydrophobicContact CE2-CD1 4.27Å; F513-Y531 HydrophobicContact CE2-CE1 4.31Å; F513-Y531 AromaticContact CZ-CD1 3.39Å; F513-Y531 HydrophobicContact CZ-CD1 3.39Å; F513-Y531 AromaticContact CZ-CE1 3.7Å; F513-Y531 HydrophobicContact CZ-CE1 3.7Å; F513-Y531 AromaticContact CZ-CG 3.99Å; F513-Y531 HydrophobicContact CZ-CG 3.99Å; V529-Y531 HydrophobicContact CB-CD2 4.42Å; V529-Y531 HydrophobicContact CB-CE2 3.66Å; V529-Y531 HydrophobicContact CG1-CD1 4.18Å; V529-Y531 HydrophobicContact CG1-CD2 4.08Å; V529-Y531 HydrophobicContact CG1-CE1 3.61Å; V529-Y531 HydrophobicContact CG1-CE2 3.5Å; V529-Y531 HydrophobicContact CG1-CG 4.42Å; V529-Y531 WeakPolarHBondContact CG1-OH 3.47Å; V529-Y531 WeakPolarHBondContact O-CD2 3.48Å; V529-Y531 VanDerWaalsContact O-CE2 3.29Å; V529-Y531 WeakPolarHBondContact O-CE2 3.3Å
532	H	98.8	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.7	-179.8	-49.8	-76.6	0	0	0	109.1	H457 L458 Y459 S500 L501 A502 L503 V549 H553	H457-H532 CarbonylContact O-C 3.52Å; L458-H532 HydrophobicContact CD2-CB 4.22Å; L458-H532 WeakPolarHBondContact CD2-ND1 3.25Å; Y459-H532 AromaticContact CD1-CE1 3.76Å; Y459-H532 AromaticContact CE1-CE1 3.55Å; Y459-H532 AromaticContact CZ-CE1 3.75Å; Y459-H532 PolarHBondContact N-ND1 2.99Å; S500-H532 PolarHBondContact OG-CD2 3.35Å; S500-H532 PolarHBondContact OG-NE2 3.48Å; S500-H532 VanDerWaalsContact OG-NE2 3.16Å; L501-H532 PolarHBondContact O-CD2 2.99Å; L501-H532 PolarHBondContact O-N 3.46Å; A502-H532 CarbonylContact C-O 3.55Å; A502-H532 WeakPolarHBondContact CA-O 3.45Å; L503-H532 PolarHBondContact N-O 2.69Å; H532-V549 HydrophobicContact CB-CG1 3.9Å; H532-H553 VanDerWaalsContact CE1-CB 3.45Å; H532-H553 WeakPolarHBondContact CE1-CB 2.96Å; H532-H553 AromaticContact CE1-CG 3.9Å
533	I	98.8	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.4	176.9	-51	-49.1	0	0	0	108.9	T456 H457 F460 L503 L505 A510 F513 Y535	T456-I533 CarbonylContact C-O 3.57Å; T456-I533 WeakPolarHBondContact CA-O 3.36Å; H457-I533 HydrophobicContact CB-CB 4.34Å; H457-I533 PolarHBondContact N-O 3.03Å; H457-I533 PolarHBondContact O-N 3.27Å; F460-I533 HydrophobicContact CB-CD1 4.11Å; F460-I533 HydrophobicContact CB-CG1 3.69Å; F460-I533 HydrophobicContact CD1-CD1 4.11Å; F460-I533 HydrophobicContact CD1-CG1 3.93Å; F460-I533 HydrophobicContact CD2-CG1 3.58Å; F460-I533 HydrophobicContact CE1-CG1 4.43Å; F460-I533 HydrophobicContact CE2-CG1 4.14Å; F460-I533 HydrophobicContact CG-CD1 4.04Å; F460-I533 HydrophobicContact CG-CG1 3.46Å; F460-I533 VanDerWaalsContact CG-CG1 3.46Å; L503-I533 HydrophobicContact CB-CD1 3.81Å; L503-I533 HydrophobicContact CD1-CD1 4.04Å; L503-I533 HydrophobicContact CD2-CD1 4.47Å; L503-I533 HydrophobicContact CG-CD1 4.3Å; L505-I533 HydrophobicContact CB-CG2 4.18Å; L505-I533 HydrophobicContact CD1-CD1 3.89Å; A510-I533 HydrophobicContact CB-CG2 4.27Å; F513-I533 HydrophobicContact CD1-CD1 4.19Å; F513-I533 HydrophobicContact CE1-CD1 4.43Å; I533-Y535 HydrophobicContact CG2-CD1 4.06Å; I533-Y535 HydrophobicContact CG2-CE1 3.87Å; I533-Y535 HydrophobicContact CG2-CE2 4.39Å; I533-Y535 HydrophobicContact CG2-CG 4.4Å
534	V	98.7	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.2	168.7	-178.7	0	0	0	0	106.6	H454 T456 L503 Y504 L505 L545 L546 V549	H454-V534 HydrophobicContact CB-CG1 3.46Å; H454-V534 VanDerWaalsContact CB-CG1 3.46Å; T456-V534 HydrophobicContact CG2-CG2 4.22Å; L503-V534 PolarHBondContact O-N 3.17Å; Y504-V534 WeakPolarHBondContact CA-O 3.33Å; Y504-V534 HydrophobicContact CD2-CB 4.5Å; Y504-V534 HydrophobicContact CD2-CG1 4.33Å; Y504-V534 WeakPolarHBondContact CD2-O 3.21Å; L505-V534 PolarHBondContact N-O 3.41Å; L505-V534 VanDerWaalsContact N-O 3.17Å; V534-L545 HydrophobicContact CG1-CD2 4.47Å; V534-L546 HydrophobicContact CB-CD2 3.55Å; V534-L546 HydrophobicContact CG1-CD2 3.85Å; V534-L546 HydrophobicContact CG2-CD2 3.73Å; V534-V549 HydrophobicContact CG2-CB 4.33Å; V534-V549 HydrophobicContact CG2-CG1 4.02Å; V534-V549 HydrophobicContact CG2-CG2 4.11Å
535	Y	98.4	Very high	95.9	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138	-171.9	-68.1	-79	0	0	0	111.7	L185 H454 R455 H457 L505 D507 A510 I533 E537	L185-Y535 HydrophobicContact CD1-CE2 4.28Å; H454-Y535 PolarHBondContact ND1-O 2.98Å; R455-Y535 HydrophobicContact CB-CD2 3.95Å; R455-Y535 HydrophobicContact CG-CD2 3.75Å; R455-Y535 HydrophobicContact CG-CE2 4.25Å; R455-Y535 VanDerWaalsContact NH2-CD1 3.33Å; R455-Y535 VanDerWaalsContact NH2-CG 3.29Å; R455-Y535 VanDerWaalsContact O-CD2 3.28Å; R455-Y535 WeakPolarHBondContact O-CD2 3.46Å; R455-Y535 PolarHBondContact O-N 3.35Å; H457-Y535 HydrophobicContact CB-CE2 4.01Å; L505-Y535 CarbonylContact O-C 3.59Å; L505-Y535 WeakPolarHBondContact O-CA 3.43Å; D507-Y535 HydrophobicContact CB-CE1 4.41Å; D507-Y535 WeakPolarHBondContact OD1-CE1 3.5Å; A510-Y535 HydrophobicContact CB-CE1 4.37Å; I533-Y535 HydrophobicContact CG2-CD1 4.06Å; I533-Y535 HydrophobicContact CG2-CE1 3.87Å; I533-Y535 HydrophobicContact CG2-CE2 4.39Å; I533-Y535 HydrophobicContact CG2-CG 4.4Å; Y535-E537 PolarHBondContact O-N 3.23Å
536	K	96.6	Very high	96.1	Very high	73 Å²	73	25.6 Å²	25.6	32%	0.317	13%	0.132	S	C	.	.			trans	-58.3	129.5	-179.5	-76.5	-180	176.2	176	0	112.2	N410 Y504 L505 E509	N410-K536 PolarHBondContact ND2-O 2.91Å; N410-K536 VanDerWaalsContact ND2-O 3.1Å; Y504-K536 HydrophobicContact CD1-CG 3.9Å; Y504-K536 HydrophobicContact CD2-CG 4.23Å; Y504-K536 HydrophobicContact CE1-CB 4.46Å; Y504-K536 HydrophobicContact CE1-CG 3.73Å; Y504-K536 HydrophobicContact CE2-CB 4.32Å; Y504-K536 HydrophobicContact CE2-CG 4.04Å; Y504-K536 HydrophobicContact CG-CG 4.16Å; Y504-K536 WeakPolarHBondContact O-CE 3.37Å; L505-K536 PolarHBondContact O-N 3.26Å; E509-K536 IonicContact OE1-NZ 3.35Å; E509-K536 PolarHBondContact OE1-NZ 3.01Å; E509-K536 WeakPolarHBondContact OE2-CD 3.4Å; E509-K536 WeakPolarHBondContact OE2-CE 3.4Å; E509-K536 IonicContact OE2-NZ 2.83Å; E509-K536 PolarHBondContact OE2-NZ 3.12Å
537	E	92.6	Very high	96.3	Very high	56 Å²	56	25 Å²	25	26%	0.262	13%	0.13	S	C	.	.			trans	-159.5	147	176.2	-172.2	168.7	-159.1	0	0	109.3	R413 T452 H454 Y504 Y535	R413-E537 IonicContact CZ-OE2 3Å; R413-E537 IonicContact NH1-OE1 3.01Å; R413-E537 PolarHBondContact NH1-OE1 3.32Å; R413-E537 IonicContact NH1-OE2 3.48Å; R413-E537 PolarHBondContact NH1-OE2 3.44Å; R413-E537 IonicContact NH2-OE2 3.36Å; T452-E537 HydrophobicContact CG2-CG 4.12Å; H454-E537 PolarHBondContact CE1-O 3.29Å; H454-E537 VanDerWaalsContact CE1-O 3.28Å; Y504-E537 PolarHBondContact OH-N 2.88Å; Y504-E537 PolarHBondContact OH-O 3.11Å; Y535-E537 PolarHBondContact O-N 3.23Å
538	G	88.7	Confident	96.4	Very high	53 Å²	53	21.4 Å²	21.4	55%	0.546	11%	0.114	S	C	.	.	S	Bend	trans	79.7	-174.1	177.8	0	0	0	0	0	114.9	E449	E449-G538 WeakPolarHBondContact OE1-CA 3.39Å
539	Q	87.8	Confident	96.5	Very high	109 Å²	109	20.9 Å²	20.9	51%	0.509	11%	0.112	S	C	.	.	S	Bend	trans	-101.9	-19.6	-168.5	-63.1	-165.4	10.9	0	0	114.6	E449 K716	E449-Q539 PolarHBondContact OE1-N 2.67Å; Q539-K716 PolarHBondContact O-NZ 3.24Å
540	F	92.6	Very high	96.5	Very high	18 Å²	18	20.9 Å²	20.9	8%	0.079	11%	0.112	C	C	.	.	S	Bend	trans	-110.4	155.1	-176	-60.7	-85.1	0	0	0	110.9	E445 F446 E449 P542 V675 Y723	E445-F540 HydrophobicContact CB-CE2 4.01Å; E445-F540 HydrophobicContact CB-CZ 4.36Å; F446-F540 HydrophobicContact CD2-CZ 4.04Å; F446-F540 HydrophobicContact CE2-CE1 4.04Å; F446-F540 AromaticContact CE2-CZ 3.87Å; F446-F540 HydrophobicContact CE2-CZ 3.87Å; F446-F540 HydrophobicContact CZ-CE1 4.16Å; F446-F540 HydrophobicContact CZ-CZ 4.4Å; E449-F540 HydrophobicContact CG-CB 4.41Å; E449-F540 HydrophobicContact CG-CD2 3.56Å; E449-F540 HydrophobicContact CG-CE2 4.31Å; E449-F540 HydrophobicContact CG-CG 4.44Å; F540-P542 VanDerWaalsContact O-CD 3.29Å; F540-P542 WeakPolarHBondContact O-CD 3.46Å; F540-V675 HydrophobicContact CB-CB 3.98Å; F540-V675 HydrophobicContact CB-CG2 3.86Å; F540-V675 HydrophobicContact CD1-CG2 4.31Å; F540-V675 HydrophobicContact CD2-CG2 4.09Å; F540-V675 HydrophobicContact CG-CB 4.48Å; F540-V675 HydrophobicContact CG-CG2 3.82Å; F540-Y723 AromaticContact CD1-CE2 3.98Å; F540-Y723 HydrophobicContact CD1-CE2 3.98Å; F540-Y723 AromaticContact CE1-CD2 3.91Å; F540-Y723 HydrophobicContact CE1-CD2 3.91Å; F540-Y723 AromaticContact CE1-CE2 3.57Å; F540-Y723 HydrophobicContact CE1-CE2 3.57Å
541	Y	95	Very high	96.5	Very high	41 Å²	41	21.5 Å²	21.5	16%	0.161	11%	0.114	C	C	.	.			trans	-73.5	115.8	166.5	-168.5	-105.7	0	0	0	110	Q479 L480 Y504 V543 L546 G676 D713	Q479-Y541 PolarHBondContact OE1-OH 3.4Å; L480-Y541 VanDerWaalsContact C-OH 3.25Å; Y504-Y541 AromaticContact CD1-CD2 3.47Å; Y504-Y541 HydrophobicContact CD1-CD2 3.47Å; Y504-Y541 VanDerWaalsContact CD1-CD2 3.47Å; Y504-Y541 AromaticContact CD1-CE2 3.48Å; Y504-Y541 HydrophobicContact CD1-CE2 3.48Å; Y504-Y541 VanDerWaalsContact CD1-CE2 3.48Å; Y504-Y541 AromaticContact CE1-CD2 3.99Å; Y504-Y541 HydrophobicContact CE1-CD2 3.99Å; Y504-Y541 HydrophobicContact CE1-CE2 4.42Å; Y504-Y541 HydrophobicContact CG-CD2 4.26Å; Y504-Y541 AromaticContact CG-CE2 3.91Å; Y504-Y541 HydrophobicContact CG-CE2 3.91Å; Y541-V543 HydrophobicContact CD1-CB 3.88Å; Y541-V543 HydrophobicContact CD1-CG2 4.46Å; Y541-V543 HydrophobicContact CE1-CB 4.15Å; Y541-V543 HydrophobicContact CE1-CG2 4.33Å; Y541-V543 PolarHBondContact O-N 2.77Å; Y541-L546 HydrophobicContact CD1-CD1 4.27Å; Y541-L546 HydrophobicContact CD2-CD1 4.5Å; Y541-L546 HydrophobicContact CE1-CD1 3.54Å; Y541-L546 HydrophobicContact CE2-CD1 3.83Å; Y541-L546 WeakPolarHBondContact OH-CD1 3.48Å; Y541-G676 WeakPolarHBondContact O-CA 3.46Å; Y541-G676 PolarHBondContact O-N 3.4Å; Y541-D713 WeakPolarHBondContact CB-OD2 3.44Å; Y541-D713 PolarHBondContact N-OD2 2.96Å
542	P	96.5	Very high	96.5	Very high	7 Å²	7	28.8 Å²	28.8	5%	0.045	15%	0.146	C	C	.	.			trans	-82.9	58.2	-171.5	35.7	-36.8	0	0	0	111.4	Y504 F540 N544 L545 L546	Y504-P542 HydrophobicContact CD2-CG 4.09Å; Y504-P542 HydrophobicContact CE2-CG 3.75Å; F540-P542 VanDerWaalsContact O-CD 3.29Å; F540-P542 WeakPolarHBondContact O-CD 3.46Å; P542-N544 VanDerWaalsContact C-N 3.31Å; P542-N544 PolarHBondContact O-N 3.3Å; P542-N544 VanDerWaalsContact O-N 3.14Å; P542-L545 HydrophobicContact CB-CB 4.13Å; P542-L545 HydrophobicContact CB-CD2 4.24Å; P542-L545 WeakPolarHBondContact O-CB 3.39Å; P542-L545 PolarHBondContact O-N 3.44Å; P542-L546 HydrophobicContact CG-CD1 4.32Å; P542-L546 HydrophobicContact CG-CG 4.2Å; P542-L546 WeakPolarHBondContact O-CG 3.22Å; P542-L546 PolarHBondContact O-N 3.12Å
543	V	96.4	Very high	96.4	Very high	7 Å²	7	30 Å²	30	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-50.9	-44	-167.8	65.2	0	0	0	0	114.2	Q479 Y541 L546 R547 N680	Q479-V543 HydrophobicContact CG-CG2 4.49Å; Y541-V543 HydrophobicContact CD1-CB 3.88Å; Y541-V543 HydrophobicContact CD1-CG2 4.46Å; Y541-V543 HydrophobicContact CE1-CB 4.15Å; Y541-V543 HydrophobicContact CE1-CG2 4.33Å; Y541-V543 PolarHBondContact O-N 2.77Å; V543-L546 PolarHBondContact O-N 3Å; V543-R547 WeakPolarHBondContact O-CG 3.44Å; V543-R547 PolarHBondContact O-N 3.3Å; V543-N680 HydrophobicContact CG1-CB 3.74Å
544	N	97.8	Very high	96.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-74.9	-35.1	-177.4	-79.5	-3.1	0	0	0	112.3	P542 L546 R547 N548 Y670 D671 N680	P542-N544 VanDerWaalsContact C-N 3.31Å; P542-N544 PolarHBondContact O-N 3.3Å; P542-N544 VanDerWaalsContact O-N 3.14Å; N544-L546 VanDerWaalsContact C-N 3.34Å; N544-R547 PolarHBondContact O-N 2.92Å; N544-R547 PolarHBondContact OD1-NH1 2.96Å; N544-N548 PolarHBondContact O-N 3.17Å; N544-N548 PolarHBondContact O-ND2 3.38Å; N544-N548 PolarHBondContact O-OD1 3.48Å; N544-Y670 VanDerWaalsContact CG-CB 3.48Å; N544-Y670 WeakPolarHBondContact OD1-CD1 3.32Å; N544-D671 PolarHBondContact ND2-O 2.79Å; N544-N680 WeakPolarHBondContact OD1-CB 3.31Å
545	L	98	Very high	96	Very high	26 Å²	26	32.9 Å²	32.9	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-46.2	169.8	174.9	71.2	0	0	0	110.7	H454 V534 P542 R547 N548 V549	H454-L545 HydrophobicContact CB-CD2 4.02Å; H454-L545 WeakPolarHBondContact CD2-CD2 3.33Å; V534-L545 HydrophobicContact CG1-CD2 4.47Å; P542-L545 HydrophobicContact CB-CB 4.13Å; P542-L545 HydrophobicContact CB-CD2 4.24Å; P542-L545 WeakPolarHBondContact O-CB 3.39Å; P542-L545 PolarHBondContact O-N 3.44Å; L545-R547 VanDerWaalsContact C-N 3.35Å; L545-R547 PolarHBondContact O-N 3.45Å; L545-N548 PolarHBondContact O-N 3Å; L545-V549 HydrophobicContact CD1-CG2 4.44Å; L545-V549 HydrophobicContact CG-CG2 4.47Å; L545-V549 WeakPolarHBondContact O-CG2 3.37Å; L545-V549 PolarHBondContact O-N 3.12Å
546	L	98.6	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-43.8	-179.9	-62.6	169.4	0	0	0	111.4	Q479 A502 Y504 V534 Y541 P542 V543 N544 N548 V549 A550	Q479-L546 HydrophobicContact CB-CB 3.66Å; Q479-L546 HydrophobicContact CB-CD1 4.47Å; Q479-L546 HydrophobicContact CG-CB 4.03Å; A502-L546 HydrophobicContact CB-CB 3.95Å; A502-L546 HydrophobicContact CB-CD2 4.19Å; A502-L546 WeakPolarHBondContact CB-O 3.46Å; Y504-L546 HydrophobicContact CD2-CD2 4.14Å; Y504-L546 HydrophobicContact CG-CD1 4.23Å; Y504-L546 HydrophobicContact CG-CD2 4.42Å; V534-L546 HydrophobicContact CB-CD2 3.55Å; V534-L546 HydrophobicContact CG1-CD2 3.85Å; V534-L546 HydrophobicContact CG2-CD2 3.73Å; Y541-L546 HydrophobicContact CD1-CD1 4.27Å; Y541-L546 HydrophobicContact CD2-CD1 4.5Å; Y541-L546 HydrophobicContact CE1-CD1 3.54Å; Y541-L546 HydrophobicContact CE2-CD1 3.83Å; Y541-L546 WeakPolarHBondContact OH-CD1 3.48Å; P542-L546 HydrophobicContact CG-CD1 4.32Å; P542-L546 HydrophobicContact CG-CG 4.2Å; P542-L546 WeakPolarHBondContact O-CG 3.22Å; P542-L546 PolarHBondContact O-N 3.12Å; V543-L546 PolarHBondContact O-N 3Å; N544-L546 VanDerWaalsContact C-N 3.34Å; L546-N548 PolarHBondContact O-N 3.04Å; L546-V549 PolarHBondContact O-N 3.12Å; L546-A550 PolarHBondContact O-N 2.97Å; L546-A550 VanDerWaalsContact O-N 3.09Å
547	R	98.3	Very high	96	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-47.7	173.2	-72.6	179.4	177.2	136.9	-4.4	111.1	Q479 V543 N544 L545 V549 A550 M551 D563 Y670 N680	Q479-R547 HydrophobicContact CG-CG 3.99Å; V543-R547 WeakPolarHBondContact O-CG 3.44Å; V543-R547 PolarHBondContact O-N 3.3Å; N544-R547 PolarHBondContact O-N 2.92Å; N544-R547 PolarHBondContact OD1-NH1 2.96Å; L545-R547 VanDerWaalsContact C-N 3.35Å; L545-R547 PolarHBondContact O-N 3.45Å; R547-V549 VanDerWaalsContact C-N 3.35Å; R547-V549 PolarHBondContact O-N 3.27Å; R547-A550 PolarHBondContact O-N 3.39Å; R547-M551 WeakPolarHBondContact O-CB 3.42Å; R547-M551 WeakPolarHBondContact O-CG 3.4Å; R547-M551 PolarHBondContact O-N 3.2Å; R547-D563 IonicContact CZ-OD1 2.76Å; R547-D563 IonicContact NE-OD1 3Å; R547-D563 IonicContact NH2-OD1 3.63Å; R547-D563 PolarHBondContact NH2-OD1 2.06Å; R547-D563 IonicContact NH2-OD2 3.02Å; R547-Y670 HydrophobicContact CB-CD2 3.65Å; R547-Y670 HydrophobicContact CB-CE2 3.87Å; R547-Y670 HydrophobicContact CB-CG 4.21Å; R547-Y670 HydrophobicContact CG-CD2 4.42Å; R547-Y670 HydrophobicContact CG-CE2 4.31Å; R547-N680 PolarHBondContact NH1-OD1 3.37Å
548	N	98.5	Very high	96.3	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-39.2	179.6	-63.7	-8.1	0	0	0	112.3	N544 L545 L546 A550 M551 K552 Y670	N544-N548 PolarHBondContact O-N 3.17Å; N544-N548 PolarHBondContact O-ND2 3.38Å; N544-N548 PolarHBondContact O-OD1 3.48Å; L545-N548 PolarHBondContact O-N 3Å; L546-N548 PolarHBondContact O-N 3.04Å; N548-A550 VanDerWaalsContact C-N 3.34Å; N548-A550 PolarHBondContact O-N 2.76Å; N548-M551 PolarHBondContact O-N 3.26Å; N548-K552 VanDerWaalsContact O-CB 3.26Å; N548-K552 WeakPolarHBondContact O-CB 3.43Å; N548-K552 PolarHBondContact O-N 2.86Å; N548-Y670 PolarHBondContact ND2-O 3.27Å; N548-Y670 WeakPolarHBondContact OD1-CB 3.36Å; N548-Y670 PolarHBondContact OD1-N 3.17Å
549	V	98.7	Very high	96.7	Very high	17 Å²	17	26.3 Å²	26.3	10%	0.103	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-46.3	174.2	169.7	0	0	0	0	110.6	T456 A502 H532 V534 L545 L546 R547 H553	T456-V549 HydrophobicContact CG2-CG1 4.26Å; A502-V549 HydrophobicContact CB-CB 4.33Å; A502-V549 HydrophobicContact CB-CG1 4.32Å; H532-V549 HydrophobicContact CB-CG1 3.9Å; V534-V549 HydrophobicContact CG2-CB 4.33Å; V534-V549 HydrophobicContact CG2-CG1 4.02Å; V534-V549 HydrophobicContact CG2-CG2 4.11Å; L545-V549 HydrophobicContact CD1-CG2 4.44Å; L545-V549 HydrophobicContact CG-CG2 4.47Å; L545-V549 WeakPolarHBondContact O-CG2 3.37Å; L545-V549 PolarHBondContact O-N 3.12Å; L546-V549 PolarHBondContact O-N 3.12Å; R547-V549 VanDerWaalsContact C-N 3.35Å; R547-V549 PolarHBondContact O-N 3.27Å; V549-H553 PolarHBondContact O-ND1 3.04Å
550	A	98.7	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.3	-43	177.7	0	0	0	0	0	112.4	V477 S500 A502 L546 R547 N548 K552 H553 I554	V477-A550 HydrophobicContact CG1-CB 3.65Å; S500-A550 WeakPolarHBondContact OG-CA 3.31Å; S500-A550 PolarHBondContact OG-O 3Å; A502-A550 HydrophobicContact CB-CB 4.18Å; L546-A550 PolarHBondContact O-N 2.97Å; L546-A550 VanDerWaalsContact O-N 3.09Å; R547-A550 PolarHBondContact O-N 3.39Å; N548-A550 VanDerWaalsContact C-N 3.34Å; N548-A550 PolarHBondContact O-N 2.76Å; A550-K552 PolarHBondContact O-N 2.85Å; A550-H553 PolarHBondContact O-N 3.33Å; A550-I554 WeakPolarHBondContact O-CG2 3.16Å
551	M	98.3	Very high	97.5	Very high	14 Å²	14	20.7 Å²	20.7	7%	0.069	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-42.9	177.9	-70	170	64.5	0	0	112.8	V477 R547 N548 H553 I554 M559 L561 C667 Y670	V477-M551 HydrophobicContact CG1-CG 3.86Å; R547-M551 WeakPolarHBondContact O-CB 3.42Å; R547-M551 WeakPolarHBondContact O-CG 3.4Å; R547-M551 PolarHBondContact O-N 3.2Å; N548-M551 PolarHBondContact O-N 3.26Å; M551-H553 PolarHBondContact O-N 3.38Å; M551-I554 WeakPolarHBondContact O-CG1 3.47Å; M551-M559 HydrophobicContact CB-CE 4.13Å; M551-M559 HydrophobicContact CB-SD 4.13Å; M551-M559 HydrophobicContact CE-CE 4.25Å; M551-M559 HydrophobicContact CE-SD 3.76Å; M551-M559 HydrophobicContact CG-CE 4.34Å; M551-M559 HydrophobicContact CG-SD 3.68Å; M551-M559 HydrophobicContact SD-SD 4.38Å; M551-L561 HydrophobicContact CG-CD2 3.94Å; M551-L561 HydrophobicContact SD-CD2 4.07Å; M551-C667 VanDerWaalsContact CE-SG 3.6Å; M551-Y670 HydrophobicContact CE-CD2 4.49Å; M551-Y670 HydrophobicContact CE-CE2 4.44Å; M551-Y670 HydrophobicContact SD-CD2 3.48Å; M551-Y670 WeakPolarHBondContact SD-CD2 3.39Å; M551-Y670 HydrophobicContact SD-CE2 3.45Å; M551-Y670 WeakPolarHBondContact SD-CE2 3.17Å
552	K	97.8	Very high	97.6	Very high	155 Å²	155	19.1 Å²	19.1	67%	0.674	10%	0.099	S	C	*	.	H	α-helix	trans	-65.6	-23.1	-175.9	-176.4	173.3	178.8	179.6	0	113.4	N548 A550	N548-K552 VanDerWaalsContact O-CB 3.26Å; N548-K552 WeakPolarHBondContact O-CB 3.43Å; N548-K552 PolarHBondContact O-N 2.86Å; A550-K552 PolarHBondContact O-N 2.85Å
553	H	96.8	Very high	97.6	Very high	25 Å²	25	20.2 Å²	20.2	12%	0.116	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	18.9	-172.2	-63.3	87	0	0	0	113.7	L458 Y459 H532 V549 A550 M551	L458-H553 WeakPolarHBondContact CD1-NE2 3.22Å; L458-H553 WeakPolarHBondContact CD2-NE2 3.05Å; Y459-H553 PolarHBondContact OH-O 2.83Å; H532-H553 VanDerWaalsContact CE1-CB 3.45Å; H532-H553 WeakPolarHBondContact CE1-CB 2.96Å; H532-H553 AromaticContact CE1-CG 3.9Å; V549-H553 PolarHBondContact O-ND1 3.04Å; A550-H553 PolarHBondContact O-N 3.33Å; M551-H553 PolarHBondContact O-N 3.38Å
554	I	96.6	Very high	97.6	Very high	13 Å²	13	20.1 Å²	20.1	7%	0.067	10%	0.104	C	C	.	.			trans	-79.5	145.8	169.2	76.6	176.2	0	0	0	111	T475 V477 A550 M551 M559 R665	T475-I554 HydrophobicContact CG2-CB 4.23Å; T475-I554 HydrophobicContact CG2-CG2 3.67Å; V477-I554 HydrophobicContact CG2-CG2 3.76Å; A550-I554 WeakPolarHBondContact O-CG2 3.16Å; M551-I554 WeakPolarHBondContact O-CG1 3.47Å; I554-M559 HydrophobicContact CD1-CB 3.82Å; I554-M559 HydrophobicContact CD1-CE 3.38Å; I554-M559 HydrophobicContact CD1-CG 4.41Å; I554-M559 HydrophobicContact CD1-SD 4.44Å; I554-M559 HydrophobicContact CG1-CE 4.36Å; I554-R665 HydrophobicContact CD1-CB 3.87Å
555	S	93.8	Very high	97.5	Very high	49 Å²	49	21 Å²	21	34%	0.343	11%	0.109	S	C	.	.			trans	-97.9	-7.8	173.9	51.6	0	0	0	0	113.6	Y463	Y463-S555 PolarHBondContact OH-OG 2.8Å
556	T	97.3	Very high	97.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.103	C	C	.	.	S	Bend	trans	-95.3	157.1	-174.9	57.8	0	0	0	0	112.4	Y465 D473 T475 P498 Y558 R665	Y465-T556 HydrophobicContact CE1-CG2 3.73Å; D473-T556 HydrophobicContact CB-CG2 3.53Å; T475-T556 VanDerWaalsContact CB-OG1 3.31Å; T475-T556 WeakPolarHBondContact CB-OG1 3.48Å; T475-T556 PolarHBondContact N-OG1 3Å; T475-T556 VanDerWaalsContact OG1-CG2 3.27Å; T475-T556 WeakPolarHBondContact OG1-CG2 3.23Å; T475-T556 PolarHBondContact OG1-OG1 3Å; P498-T556 HydrophobicContact CG-CG2 3.76Å; T556-Y558 VanDerWaalsContact C-N 3.31Å; T556-Y558 PolarHBondContact O-N 2.67Å; T556-Y558 PolarHBondContact OG1-O 2.97Å; T556-R665 WeakPolarHBondContact O-CD 3.39Å
557	P	97.1	Very high	97.5	Very high	35 Å²	35	20.6 Å²	20.6	23%	0.227	11%	0.106	C	C	.	.	S	Bend	trans	-72.7	-21.2	179.5	23.5	-28.7	0	0	0	114	S471 R665	S471-P557 WeakPolarHBondContact O-CG 3.41Å; P557-R665 WeakPolarHBondContact O-CB 3.16Å; P557-R665 PolarHBondContact O-N 3.25Å
558	Y	98.5	Very high	97.5	Very high	11 Å²	11	20 Å²	20	4%	0.043	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152	-178.4	-54.2	-78.3	0	0	0	111.5	S471 D473 V474 T475 T556 V580 L585 A586 V663 R664	S471-Y558 WeakPolarHBondContact O-CE2 3.45Å; D473-Y558 PolarHBondContact O-N 2.93Å; V474-Y558 WeakPolarHBondContact CA-O 3.3Å; T475-Y558 PolarHBondContact N-O 3.39Å; T556-Y558 VanDerWaalsContact C-N 3.31Å; T556-Y558 PolarHBondContact O-N 2.67Å; T556-Y558 PolarHBondContact OG1-O 2.97Å; Y558-V580 HydrophobicContact CD1-CG2 4.41Å; Y558-V580 HydrophobicContact CD2-CG1 3.84Å; Y558-V580 HydrophobicContact CD2-CG2 3.93Å; Y558-V580 HydrophobicContact CE1-CG1 4.21Å; Y558-V580 HydrophobicContact CE2-CB 4.39Å; Y558-V580 HydrophobicContact CE2-CG1 3.27Å; Y558-V580 HydrophobicContact CE2-CG2 4.21Å; Y558-V580 HydrophobicContact CG-CG2 4.05Å; Y558-V580 VanDerWaalsContact CZ-CG1 3.47Å; Y558-L585 HydrophobicContact CD1-CB 4.44Å; Y558-L585 HydrophobicContact CD1-CD2 4.18Å; Y558-L585 HydrophobicContact CE1-CB 3.68Å; Y558-L585 HydrophobicContact CE1-CD2 4.24Å; Y558-A586 WeakPolarHBondContact OH-CA 3.25Å; Y558-A586 PolarHBondContact OH-N 2.85Å; Y558-V663 WeakPolarHBondContact CA-O 3.46Å; Y558-R664 HydrophobicContact CD1-CB 4.03Å; Y558-R664 HydrophobicContact CD1-CG 4.2Å; Y558-R664 HydrophobicContact CE1-CB 3.99Å; Y558-R664 HydrophobicContact CE1-CG 3.9Å
559	M	98.3	Very high	97.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.2	177.1	57.3	-179.9	83.7	0	0	111.2	T475 V477 M551 I554 L561 V662 V663 R665	T475-M559 CarbonylContact O-C 3.6Å; T475-M559 VanDerWaalsContact O-CA 3.28Å; T475-M559 WeakPolarHBondContact O-CA 3.39Å; V477-M559 HydrophobicContact CG2-CB 3.82Å; M551-M559 HydrophobicContact CB-CE 4.13Å; M551-M559 HydrophobicContact CB-SD 4.13Å; M551-M559 HydrophobicContact CE-CE 4.25Å; M551-M559 HydrophobicContact CE-SD 3.76Å; M551-M559 HydrophobicContact CG-CE 4.34Å; M551-M559 HydrophobicContact CG-SD 3.68Å; M551-M559 HydrophobicContact SD-SD 4.38Å; I554-M559 HydrophobicContact CD1-CB 3.82Å; I554-M559 HydrophobicContact CD1-CE 3.38Å; I554-M559 HydrophobicContact CD1-CG 4.41Å; I554-M559 HydrophobicContact CD1-SD 4.44Å; I554-M559 HydrophobicContact CG1-CE 4.36Å; M559-L561 HydrophobicContact CG-CD2 4.07Å; M559-L561 HydrophobicContact CG-CG 4.29Å; M559-L561 HydrophobicContact SD-CD2 3.59Å; M559-L561 VanDerWaalsContact SD-CD2 3.59Å; M559-L561 HydrophobicContact SD-CG 4.31Å; M559-V662 VanDerWaalsContact O-CA 3.24Å; M559-V662 WeakPolarHBondContact O-CA 3.44Å; M559-V663 HydrophobicContact CG-CG2 3.89Å; M559-V663 PolarHBondContact N-O 3.09Å; M559-V663 PolarHBondContact O-N 3.4Å; M559-R665 HydrophobicContact CE-CB 3.9Å
560	F	98.8	Very high	97.3	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.1	170.3	174.7	-142.9	0	0	0	108.8	V474 T475 L476 V477 W495 S562 L572 L576 V594 V662 M703	V474-F560 HydrophobicContact CG1-CB 3.73Å; T475-F560 PolarHBondContact O-N 3.45Å; L476-F560 HydrophobicContact CD1-CD1 4.15Å; L476-F560 HydrophobicContact CD1-CE1 4.26Å; L476-F560 HydrophobicContact CG-CD1 4.17Å; V477-F560 PolarHBondContact N-O 3.14Å; W495-F560 HydrophobicContact CH2-CB 4.32Å; W495-F560 HydrophobicContact CH2-CD1 4.01Å; W495-F560 AromaticContact CZ3-CD1 3.88Å; W495-F560 HydrophobicContact CZ3-CD1 3.88Å; W495-F560 HydrophobicContact CZ3-CE1 4.46Å; F560-S562 PolarHBondContact O-N 3.14Å; F560-L572 HydrophobicContact CE1-CD2 4.04Å; F560-L572 HydrophobicContact CZ-CD2 4.47Å; F560-L576 HydrophobicContact CG-CD1 4.43Å; F560-V594 HydrophobicContact CD2-CG2 4.49Å; F560-V594 HydrophobicContact CE2-CB 4.18Å; F560-V594 HydrophobicContact CE2-CG2 4.03Å; F560-V594 HydrophobicContact CZ-CB 4.47Å; F560-V594 HydrophobicContact CZ-CG2 4.47Å; F560-V662 HydrophobicContact CB-CG2 3.93Å; F560-V662 HydrophobicContact CD2-CG2 3.72Å; F560-V662 HydrophobicContact CG-CG2 4.04Å; F560-M703 HydrophobicContact CE2-CE 3.56Å; F560-M703 HydrophobicContact CZ-CE 3.26Å; F560-M703 HydrophobicContact CZ-SD 4.07Å
561	L	98.5	Very high	97.3	Very high	9 Å²	9	28 Å²	28	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	104.3	-176.1	-61.1	174.7	0	0	0	109.5	V477 M551 M559 V661 V663 Y670	V477-L561 HydrophobicContact CB-CD2 4.11Å; V477-L561 HydrophobicContact CG1-CD2 4.18Å; M551-L561 HydrophobicContact CG-CD2 3.94Å; M551-L561 HydrophobicContact SD-CD2 4.07Å; M559-L561 HydrophobicContact CG-CD2 4.07Å; M559-L561 HydrophobicContact CG-CG 4.29Å; M559-L561 HydrophobicContact SD-CD2 3.59Å; M559-L561 VanDerWaalsContact SD-CD2 3.59Å; M559-L561 HydrophobicContact SD-CG 4.31Å; L561-V661 HydrophobicContact CD1-CG2 4.16Å; L561-V661 PolarHBondContact N-O 3.49Å; L561-V663 HydrophobicContact CD1-CG2 3.78Å; L561-V663 HydrophobicContact CG-CG2 4.3Å; L561-Y670 HydrophobicContact CD1-CE2 4.28Å; L561-Y670 HydrophobicContact CD2-CE2 4.35Å
562	S	97.1	Very high	97.3	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.049	15%	0.146	C	C	.	.			trans	-127.9	155.1	-175.4	-170.6	0	0	0	0	112	V477 A478 F560	V477-S562 PolarHBondContact O-N 3.4Å; A478-S562 WeakPolarHBondContact CA-O 3.24Å; A478-S562 WeakPolarHBondContact CB-O 3.38Å; F560-S562 PolarHBondContact O-N 3.14Å
563	D	96	Very high	97.3	Very high	31 Å²	31	21.1 Å²	21.1	17%	0.166	12%	0.118	C	C	.	.			trans	-87.2	153.1	164.6	-64.9	-30.7	0	0	0	109.8	R547 D565 F566 Y660	R547-D563 IonicContact CZ-OD1 2.76Å; R547-D563 IonicContact NE-OD1 3Å; R547-D563 IonicContact NH2-OD1 3.63Å; R547-D563 PolarHBondContact NH2-OD1 2.06Å; R547-D563 IonicContact NH2-OD2 3.02Å; D563-D565 PolarHBondContact O-N 3.3Å; D563-F566 HydrophobicContact CB-CD2 3.88Å; D563-F566 HydrophobicContact CB-CE2 4.1Å; D563-F566 PolarHBondContact O-N 3.48Å; D563-Y660 HydrophobicContact CB-CE1 4.29Å; D563-Y660 PolarHBondContact OD2-OH 2.83Å
564	I	96.8	Very high	97.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.6	-177	-163.1	73.9	0	0	0	113.4	A478 L480 R484 M487 L488 I491 L501 F566	A478-I564 HydrophobicContact CB-CD1 4.34Å; L480-I564 HydrophobicContact CB-CB 4.13Å; L480-I564 HydrophobicContact CB-CD1 4.36Å; L480-I564 HydrophobicContact CB-CG1 3.92Å; L480-I564 HydrophobicContact CB-CG2 4.01Å; L480-I564 HydrophobicContact CD1-CD1 4.09Å; L480-I564 HydrophobicContact CD1-CG1 4.03Å; L480-I564 HydrophobicContact CD2-CD1 4.31Å; L480-I564 HydrophobicContact CG-CG1 4.47Å; R484-I564 HydrophobicContact CB-CG2 3.84Å; R484-I564 HydrophobicContact CG-CG2 4Å; M487-I564 HydrophobicContact CB-CG1 3.97Å; M487-I564 WeakPolarHBondContact CB-O 3.17Å; M487-I564 WeakPolarHBondContact CE-O 3.29Å; L488-I564 HydrophobicContact CD2-CD1 3.93Å; I491-I564 HydrophobicContact CD1-CD1 3.44Å; I491-I564 VanDerWaalsContact CD1-CD1 3.44Å; I491-I564 HydrophobicContact CD1-CG1 3.98Å; I491-I564 VanDerWaalsContact CD1-O 3.32Å; I491-I564 WeakPolarHBondContact CD1-O 2.92Å; L501-I564 HydrophobicContact CD2-CD1 4.15Å; I564-F566 PolarHBondContact O-N 3.01Å
565	D	95.7	Very high	97.4	Very high	20 Å²	20	25.4 Å²	25.4	11%	0.107	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	4.5	-178.7	-66.1	-55.1	0	0	0	113.2	R484 D563 H705 M706 H708	R484-D565 WeakPolarHBondContact CD-OD1 3.37Å; R484-D565 IonicContact NE-OD1 2.82Å; R484-D565 PolarHBondContact NE-OD1 2.84Å; R484-D565 IonicContact NE-OD2 2.68Å; R484-D565 PolarHBondContact NE-OD2 3.25Å; D563-D565 PolarHBondContact O-N 3.3Å; D565-H705 WeakPolarHBondContact O-CA 3.41Å; D565-M706 PolarHBondContact O-N 3.11Å; D565-H708 IonicContact OD1-CD2 2.87Å; D565-H708 PolarHBondContact OD1-CD2 2.96Å; D565-H708 IonicContact OD1-CG 2.82Å; D565-H708 IonicContact OD2-CD2 3.83Å; D565-H708 PolarHBondContact OD2-CD2 3.19Å; D565-H708 IonicContact OD2-CE1 3.63Å; D565-H708 IonicContact OD2-CG 3.54Å; D565-H708 IonicContact OD2-NE2 2.66Å; D565-H708 PolarHBondContact OD2-NE2 3.04Å
566	F	97.7	Very high	97.6	Very high	4 Å²	4	23 Å²	23	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.6	-179.8	-73.9	-93.6	0	0	0	112.6	D563 I564 A596 F625 Y660 M703 I704 H705	D563-F566 HydrophobicContact CB-CD2 3.88Å; D563-F566 HydrophobicContact CB-CE2 4.1Å; D563-F566 PolarHBondContact O-N 3.48Å; I564-F566 PolarHBondContact O-N 3.01Å; F566-A596 HydrophobicContact CE1-CB 3.84Å; F566-F625 HydrophobicContact CE1-CD2 4.27Å; F566-F625 HydrophobicContact CE1-CE2 4.36Å; F566-F625 HydrophobicContact CE1-CG 4.39Å; F566-F625 HydrophobicContact CE2-CE2 4.45Å; F566-F625 HydrophobicContact CE2-CZ 4.19Å; F566-F625 HydrophobicContact CZ-CD1 4.08Å; F566-F625 AromaticContact CZ-CD2 3.94Å; F566-F625 HydrophobicContact CZ-CD2 3.94Å; F566-F625 AromaticContact CZ-CE1 3.79Å; F566-F625 HydrophobicContact CZ-CE1 3.79Å; F566-F625 AromaticContact CZ-CE2 3.62Å; F566-F625 HydrophobicContact CZ-CE2 3.62Å; F566-F625 HydrophobicContact CZ-CG 4.18Å; F566-F625 AromaticContact CZ-CZ 3.54Å; F566-F625 HydrophobicContact CZ-CZ 3.54Å; F566-Y660 HydrophobicContact CD2-CE1 4.26Å; F566-Y660 AromaticContact CE1-CE2 3.84Å; F566-Y660 HydrophobicContact CE1-CE2 3.84Å; F566-Y660 AromaticContact CE2-CE1 3.95Å; F566-Y660 HydrophobicContact CE2-CE1 3.95Å; F566-Y660 AromaticContact CE2-CE2 3.9Å; F566-Y660 HydrophobicContact CE2-CE2 3.9Å; F566-Y660 AromaticContact CE2-CZ 3.31Å; F566-Y660 WeakPolarHBondContact CE2-OH 3.23Å; F566-Y660 HydrophobicContact CZ-CD2 4.49Å; F566-Y660 HydrophobicContact CZ-CE1 4.35Å; F566-Y660 AromaticContact CZ-CE2 3.44Å; F566-Y660 HydrophobicContact CZ-CE2 3.44Å; F566-Y660 VanDerWaalsContact CZ-CE2 3.44Å; F566-Y660 AromaticContact CZ-CZ 3.36Å; F566-Y660 WeakPolarHBondContact CZ-OH 3.32Å; F566-M703 HydrophobicContact CB-CG 4.47Å; F566-M703 HydrophobicContact CB-SD 3.96Å; F566-M703 HydrophobicContact CD1-CB 4.25Å; F566-M703 HydrophobicContact CD1-CG 3.55Å; F566-M703 HydrophobicContact CD1-SD 3.49Å; F566-M703 WeakPolarHBondContact CD1-SD 3.37Å; F566-M703 HydrophobicContact CE1-CG 4.18Å; F566-M703 HydrophobicContact CE1-SD 4.13Å; F566-M703 HydrophobicContact CG-CG 4.33Å; F566-M703 HydrophobicContact CG-SD 3.8Å; F566-I704 WeakPolarHBondContact CA-O 3.39Å; F566-H705 HydrophobicContact CD1-CB 3.95Å; F566-H705 HydrophobicContact CE1-CB 3.46Å; F566-H705 VanDerWaalsContact CE1-CB 3.46Å; F566-H705 HydrophobicContact CE2-CB 4.31Å; F566-H705 AromaticContact CE2-CD2 3.53Å; F566-H705 HydrophobicContact CZ-CB 3.66Å; F566-H705 AromaticContact CZ-CD2 3.66Å; F566-H705 AromaticContact CZ-CG 3.98Å
567	L	97.8	Very high	97.7	Very high	13 Å²	13	25 Å²	25	7%	0.068	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.3	168.5	-64.5	-177.5	0	0	0	109.6	M487 A490 I491 F606 M703 I704 M706	M487-L567 HydrophobicContact CE-CD2 3.71Å; M487-L567 HydrophobicContact CE-CG 3.91Å; A490-L567 HydrophobicContact CB-CD1 4.37Å; A490-L567 HydrophobicContact CB-CD2 3.6Å; I491-L567 HydrophobicContact CG1-CD2 3.97Å; L567-F606 HydrophobicContact CB-CD2 4.31Å; L567-F606 HydrophobicContact CB-CE2 3.58Å; L567-F606 HydrophobicContact CB-CZ 4.3Å; L567-F606 HydrophobicContact CD1-CD2 4.36Å; L567-F606 HydrophobicContact CD1-CE2 4.42Å; L567-M703 WeakPolarHBondContact O-CA 3.37Å; L567-I704 PolarHBondContact N-O 2.89Å; L567-I704 PolarHBondContact O-N 3.45Å; L567-M706 HydrophobicContact CD1-CG 3.81Å; L567-M706 HydrophobicContact CD1-SD 3.97Å; L567-M706 HydrophobicContact CG-CG 3.89Å
568	P	98	Very high	97.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	156.5	174.9	27	-30	0	0	0	111	L476 H494 W495 L572 F606	L476-P568 HydrophobicContact CD1-CG 4.48Å; H494-P568 HydrophobicContact CB-CG 3.94Å; H494-P568 PolarHBondContact ND1-O 2.86Å; W495-P568 HydrophobicContact CB-CG 4.14Å; W495-P568 HydrophobicContact CE3-CB 4.42Å; W495-P568 HydrophobicContact CE3-CG 4.21Å; P568-L572 HydrophobicContact CB-CB 4.24Å; P568-L572 HydrophobicContact CB-CD2 3.47Å; P568-L572 VanDerWaalsContact CB-CD2 3.47Å; P568-L572 HydrophobicContact CB-CG 4.48Å; P568-F606 WeakPolarHBondContact O-CZ 3.35Å
569	M	97.4	Very high	97.7	Very high	22 Å²	22	29.3 Å²	29.3	11%	0.108	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-61.9	148.3	169.8	73.1	174.8	-154.3	0	0	111.7	G571 L572 Y575 N700 Y702	M569-G571 PolarHBondContact O-N 2.88Å; M569-L572 HydrophobicContact CE-CB 4.46Å; M569-L572 HydrophobicContact CE-CD1 4Å; M569-L572 HydrophobicContact CG-CB 3.8Å; M569-L572 HydrophobicContact CG-CD1 4.18Å; M569-L572 HydrophobicContact CG-CG 4.45Å; M569-L572 WeakPolarHBondContact O-CB 3.43Å; M569-L572 PolarHBondContact O-N 3.41Å; M569-L572 VanDerWaalsContact O-N 3.13Å; M569-Y575 HydrophobicContact CE-CD1 4.33Å; M569-Y575 HydrophobicContact CE-CG 4.26Å; M569-N700 VanDerWaalsContact CE-O 3.23Å; M569-N700 WeakPolarHBondContact CE-O 3.42Å; M569-Y702 HydrophobicContact CB-CD1 4.14Å; M569-Y702 HydrophobicContact CB-CD2 3.87Å; M569-Y702 HydrophobicContact CB-CE1 3.81Å; M569-Y702 HydrophobicContact CB-CE2 3.52Å; M569-Y702 HydrophobicContact CB-CG 4.17Å; M569-Y702 VanDerWaalsContact CB-CZ 3.49Å; M569-Y702 HydrophobicContact CG-CD1 4.44Å; M569-Y702 HydrophobicContact CG-CE1 4.34Å; M569-Y702 PolarHBondContact N-O 3.04Å; M569-Y702 VanDerWaalsContact N-O 3.09Å; M569-Y702 HydrophobicContact SD-CD1 3.64Å; M569-Y702 HydrophobicContact SD-CE1 3.6Å; M569-Y702 VanDerWaalsContact SD-CE1 3.6Å; M569-Y702 HydrophobicContact SD-CG 4.34Å
570	Y	97.1	Very high	97.7	Very high	122 Å²	122	29.5 Å²	29.5	48%	0.478	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	136.6	172.9	-68.1	-79.1	0	0	0	110.7	H494 L572 F606	H494-Y570 AromaticContact CD2-CZ 3.87Å; H494-Y570 AromaticContact CE1-CE2 3.45Å; H494-Y570 VanDerWaalsContact CE1-CE2 3.45Å; H494-Y570 WeakPolarHBondContact CE1-CE2 3.46Å; H494-Y570 AromaticContact CE1-CZ 3.43Å; H494-Y570 VanDerWaalsContact CE1-CZ 3.43Å; H494-Y570 PolarHBondContact CE1-OH 2.78Å; H494-Y570 AromaticContact ND1-CE2 3.9Å; H494-Y570 AromaticContact ND1-CZ 3.83Å; H494-Y570 AromaticContact NE2-CE2 3.93Å; H494-Y570 AromaticContact NE2-CZ 3.45Å; H494-Y570 PolarHBondContact NE2-OH 2.47Å; Y570-L572 VanDerWaalsContact C-N 3.27Å; Y570-L572 PolarHBondContact O-N 3.49Å; Y570-F606 HydrophobicContact CD2-CD1 4.19Å; Y570-F606 AromaticContact CE2-CD1 3.97Å; Y570-F606 HydrophobicContact CE2-CD1 3.97Å; Y570-F606 HydrophobicContact CE2-CG 4.48Å
571	G	97.4	Very high	97.6	Very high	49 Å²	49	34.8 Å²	34.8	51%	0.505	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	7.6	-177.6	0	0	0	0	0	115	M569 Y573 E574 Y575	M569-G571 PolarHBondContact O-N 2.88Å; G571-Y573 VanDerWaalsContact C-N 3.32Å; G571-Y573 PolarHBondContact O-N 2.77Å; G571-E574 PolarHBondContact O-N 2.7Å; G571-Y575 PolarHBondContact O-N 2.96Å; G571-Y575 VanDerWaalsContact O-N 3.11Å
572	L	98.4	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-41.9	179.5	-176.5	60.7	0	0	0	112.5	W495 F560 P568 M569 Y570 E574 Y575 L576 V594 A701	W495-L572 HydrophobicContact CZ3-CB 4.26Å; W495-L572 HydrophobicContact CZ3-CD2 4.16Å; W495-L572 HydrophobicContact CZ3-CG 4.07Å; F560-L572 HydrophobicContact CE1-CD2 4.04Å; F560-L572 HydrophobicContact CZ-CD2 4.47Å; P568-L572 HydrophobicContact CB-CB 4.24Å; P568-L572 HydrophobicContact CB-CD2 3.47Å; P568-L572 VanDerWaalsContact CB-CD2 3.47Å; P568-L572 HydrophobicContact CB-CG 4.48Å; M569-L572 HydrophobicContact CE-CB 4.46Å; M569-L572 HydrophobicContact CE-CD1 4Å; M569-L572 HydrophobicContact CG-CB 3.8Å; M569-L572 HydrophobicContact CG-CD1 4.18Å; M569-L572 HydrophobicContact CG-CG 4.45Å; M569-L572 WeakPolarHBondContact O-CB 3.43Å; M569-L572 PolarHBondContact O-N 3.41Å; M569-L572 VanDerWaalsContact O-N 3.13Å; Y570-L572 VanDerWaalsContact C-N 3.27Å; Y570-L572 PolarHBondContact O-N 3.49Å; L572-E574 PolarHBondContact O-N 2.81Å; L572-Y575 HydrophobicContact CD1-CD1 4.13Å; L572-Y575 WeakPolarHBondContact O-CB 3.02Å; L572-Y575 PolarHBondContact O-N 2.94Å; L572-Y575 VanDerWaalsContact O-N 3.16Å; L572-L576 HydrophobicContact CD1-CD1 4.22Å; L572-L576 HydrophobicContact CD1-CD2 4.22Å; L572-L576 HydrophobicContact CD1-CG 3.95Å; L572-L576 HydrophobicContact CD2-CD1 4.33Å; L572-L576 HydrophobicContact CG-CD1 3.84Å; L572-L576 HydrophobicContact CG-CG 4.04Å; L572-L576 VanDerWaalsContact O-CG 3.27Å; L572-L576 WeakPolarHBondContact O-CG 3.23Å; L572-L576 PolarHBondContact O-N 3.33Å; L572-V594 HydrophobicContact CD2-CG1 4.3Å; L572-A701 HydrophobicContact CD1-CB 3.57Å
573	Y	98.2	Very high	97.5	Very high	24 Å²	24	41.5 Å²	41.5	9%	0.094	20%	0.202	C	C	.	.	H	α-helix	trans	-54.7	-51.6	179.3	168.8	-113.3	0	0	0	112.3	Y465 D473 V474 W495 G571 Y575 L576 R577	Y465-Y573 PolarHBondContact OH-OH 2.96Å; Y465-Y573 VanDerWaalsContact OH-OH 3.13Å; D473-Y573 PolarHBondContact OD1-OH 3.38Å; V474-Y573 WeakPolarHBondContact O-CE2 3.18Å; W495-Y573 HydrophobicContact CH2-CD2 4.07Å; W495-Y573 AromaticContact CZ2-CD2 3.7Å; W495-Y573 HydrophobicContact CZ2-CD2 3.7Å; W495-Y573 HydrophobicContact CZ2-CG 4.33Å; G571-Y573 VanDerWaalsContact C-N 3.32Å; G571-Y573 PolarHBondContact O-N 2.77Å; Y573-Y575 VanDerWaalsContact C-N 3.33Å; Y573-Y575 PolarHBondContact O-N 3.13Å; Y573-L576 PolarHBondContact O-N 2.96Å; Y573-L576 VanDerWaalsContact O-N 3.17Å; Y573-R577 HydrophobicContact CD2-CG 4.5Å; Y573-R577 HydrophobicContact CE2-CG 4.19Å; Y573-R577 WeakPolarHBondContact O-CG 3.34Å; Y573-R577 PolarHBondContact O-N 3.11Å
574	E	97.8	Very high	97.5	Very high	83 Å²	83	43.3 Å²	43.3	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-35.7	177.4	-75.6	-60.5	132.7	0	0	112.9	G571 L572 L576 R577 K578	G571-E574 PolarHBondContact O-N 2.7Å; L572-E574 PolarHBondContact O-N 2.81Å; E574-L576 VanDerWaalsContact C-N 3.35Å; E574-R577 IonicContact OE1-NH1 3.86Å; E574-R577 PolarHBondContact OE1-NH1 2.8Å; E574-R577 VanDerWaalsContact OE1-NH1 3.07Å; E574-R577 IonicContact OE2-NH1 3.48Å; E574-K578 WeakPolarHBondContact O-CG 3.44Å; E574-K578 PolarHBondContact O-N 3.36Å
575	Y	98.3	Very high	97.5	Very high	45 Å²	45	43.2 Å²	43.2	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-40.1	173.6	177.2	-103.5	0	0	0	112.1	M569 G571 L572 Y573 K578 S579 L698 P699 N700 A701	M569-Y575 HydrophobicContact CE-CD1 4.33Å; M569-Y575 HydrophobicContact CE-CG 4.26Å; G571-Y575 PolarHBondContact O-N 2.96Å; G571-Y575 VanDerWaalsContact O-N 3.11Å; L572-Y575 HydrophobicContact CD1-CD1 4.13Å; L572-Y575 WeakPolarHBondContact O-CB 3.02Å; L572-Y575 PolarHBondContact O-N 2.94Å; L572-Y575 VanDerWaalsContact O-N 3.16Å; Y573-Y575 VanDerWaalsContact C-N 3.33Å; Y573-Y575 PolarHBondContact O-N 3.13Å; Y575-K578 PolarHBondContact O-N 2.84Å; Y575-S579 WeakPolarHBondContact O-CB 3.06Å; Y575-S579 PolarHBondContact O-N 2.9Å; Y575-S579 PolarHBondContact O-OG 3.09Å; Y575-L698 HydrophobicContact CE1-CB 4.04Å; Y575-L698 HydrophobicContact CE1-CD1 3.97Å; Y575-L698 HydrophobicContact CE1-CG 4.41Å; Y575-P699 WeakPolarHBondContact OH-CD 3.35Å; Y575-N700 HydrophobicContact CE2-CB 4.1Å; Y575-A701 HydrophobicContact CD1-CB 3.98Å; Y575-A701 HydrophobicContact CE1-CB 3.68Å
576	L	98.5	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-42.7	178.9	-68.8	175.2	0	0	0	111.9	V474 W495 F560 L572 Y573 E574 K578 S579 V580 M592 V594 V662 L698	V474-L576 HydrophobicContact CG1-CD1 4.4Å; V474-L576 HydrophobicContact CG2-CB 4.02Å; W495-L576 HydrophobicContact CH2-CD1 3.7Å; W495-L576 HydrophobicContact CZ3-CD1 3.86Å; F560-L576 HydrophobicContact CG-CD1 4.43Å; L572-L576 HydrophobicContact CD1-CD1 4.22Å; L572-L576 HydrophobicContact CD1-CD2 4.22Å; L572-L576 HydrophobicContact CD1-CG 3.95Å; L572-L576 HydrophobicContact CD2-CD1 4.33Å; L572-L576 HydrophobicContact CG-CD1 3.84Å; L572-L576 HydrophobicContact CG-CG 4.04Å; L572-L576 VanDerWaalsContact O-CG 3.27Å; L572-L576 WeakPolarHBondContact O-CG 3.23Å; L572-L576 PolarHBondContact O-N 3.33Å; Y573-L576 PolarHBondContact O-N 2.96Å; Y573-L576 VanDerWaalsContact O-N 3.17Å; E574-L576 VanDerWaalsContact C-N 3.35Å; L576-K578 VanDerWaalsContact C-N 3.3Å; L576-K578 PolarHBondContact O-N 3.03Å; L576-S579 CarbonylContact O-C 3.57Å; L576-S579 WeakPolarHBondContact O-CA 3.17Å; L576-S579 WeakPolarHBondContact O-CB 3.39Å; L576-S579 PolarHBondContact O-N 2.79Å; L576-V580 WeakPolarHBondContact O-CG2 3.33Å; L576-V580 PolarHBondContact O-N 2.76Å; L576-M592 HydrophobicContact CD2-CE 4.16Å; L576-V594 HydrophobicContact CD2-CG2 4.2Å; L576-V662 HydrophobicContact CD1-CG2 3.75Å; L576-V662 HydrophobicContact CD2-CG2 3.75Å; L576-V662 HydrophobicContact CG-CG2 4.31Å; L576-L698 HydrophobicContact CD2-CD1 3.42Å; L576-L698 VanDerWaalsContact CD2-CD1 3.42Å
577	R	97.9	Very high	97.3	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-55.4	-44.3	174.3	-69.8	-177.8	64.8	-163.3	8.2	112.4	D470 T472 D473 Y573 E574 V580	D470-R577 IonicContact OD1-NH2 2.86Å; D470-R577 PolarHBondContact OD1-NH2 3.23Å; D470-R577 IonicContact OD2-CZ 3.95Å; D470-R577 IonicContact OD2-NH2 2.96Å; D470-R577 PolarHBondContact OD2-NH2 3.16Å; T472-R577 WeakPolarHBondContact O-CG 3.37Å; T472-R577 PolarHBondContact OG1-NE 3.07Å; T472-R577 PolarHBondContact OG1-NH2 3.29Å; D473-R577 IonicContact OD1-CZ 2.78Å; D473-R577 IonicContact OD1-NE 3.09Å; D473-R577 PolarHBondContact OD1-NE 2.75Å; D473-R577 IonicContact OD1-NH2 3.99Å; Y573-R577 HydrophobicContact CD2-CG 4.5Å; Y573-R577 HydrophobicContact CE2-CG 4.19Å; Y573-R577 WeakPolarHBondContact O-CG 3.34Å; Y573-R577 PolarHBondContact O-N 3.11Å; E574-R577 IonicContact OE1-NH1 3.86Å; E574-R577 PolarHBondContact OE1-NH1 2.8Å; E574-R577 VanDerWaalsContact OE1-NH1 3.07Å; E574-R577 IonicContact OE2-NH1 3.48Å; R577-V580 WeakPolarHBondContact O-CB 3.45Å; R577-V580 PolarHBondContact O-N 3.41Å
578	K	97.8	Very high	97.2	Very high	137 Å²	137	52 Å²	52	60%	0.596	27%	0.267	S	S	*	.	H	α-helix	trans	-65.4	-39.9	174.8	-68.3	173.6	-174.8	175.9	0	112.1	E574 Y575 L576 I581 Q582	E574-K578 WeakPolarHBondContact O-CG 3.44Å; E574-K578 PolarHBondContact O-N 3.36Å; Y575-K578 PolarHBondContact O-N 2.84Å; L576-K578 VanDerWaalsContact C-N 3.3Å; L576-K578 PolarHBondContact O-N 3.03Å; K578-I581 PolarHBondContact O-N 2.93Å; K578-Q582 WeakPolarHBondContact O-CB 3.5Å; K578-Q582 PolarHBondContact O-N 3.15Å
579	S	98.3	Very high	97.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-35.6	-180	-58	0	0	0	0	112.3	Y575 L576 I581 Q582 L583	Y575-S579 WeakPolarHBondContact O-CB 3.06Å; Y575-S579 PolarHBondContact O-N 2.9Å; Y575-S579 PolarHBondContact O-OG 3.09Å; L576-S579 CarbonylContact O-C 3.57Å; L576-S579 WeakPolarHBondContact O-CA 3.17Å; L576-S579 WeakPolarHBondContact O-CB 3.39Å; L576-S579 PolarHBondContact O-N 2.79Å; S579-I581 VanDerWaalsContact C-N 3.32Å; S579-I581 PolarHBondContact O-N 3.48Å; S579-Q582 PolarHBondContact O-N 3.32Å; S579-L583 WeakPolarHBondContact O-CB 3.34Å; S579-L583 PolarHBondContact O-N 2.97Å
580	V	97.8	Very high	97.1	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-54.3	-47.6	173.1	161.7	0	0	0	0	111.1	V474 Y558 L576 R577 D584 L585 M592	V474-V580 HydrophobicContact CG2-CG2 4.27Å; Y558-V580 HydrophobicContact CD1-CG2 4.41Å; Y558-V580 HydrophobicContact CD2-CG1 3.84Å; Y558-V580 HydrophobicContact CD2-CG2 3.93Å; Y558-V580 HydrophobicContact CE1-CG1 4.21Å; Y558-V580 HydrophobicContact CE2-CB 4.39Å; Y558-V580 HydrophobicContact CE2-CG1 3.27Å; Y558-V580 HydrophobicContact CE2-CG2 4.21Å; Y558-V580 HydrophobicContact CG-CG2 4.05Å; Y558-V580 VanDerWaalsContact CZ-CG1 3.47Å; L576-V580 WeakPolarHBondContact O-CG2 3.33Å; L576-V580 PolarHBondContact O-N 2.76Å; R577-V580 WeakPolarHBondContact O-CB 3.45Å; R577-V580 PolarHBondContact O-N 3.41Å; V580-D584 PolarHBondContact O-N 3.5Å; V580-L585 HydrophobicContact CG1-CB 4.24Å; V580-L585 HydrophobicContact CG2-CD2 4.05Å; V580-L585 PolarHBondContact O-N 3Å; V580-L585 VanDerWaalsContact O-N 3.09Å; V580-M592 HydrophobicContact CG2-CE 3.92Å
581	I	97	Very high	97.2	Very high	112 Å²	112	51 Å²	51	57%	0.574	27%	0.265	S	S	*	.	H	α-helix	trans	-68.5	-51.2	177.3	-61.5	166	0	0	0	110.2	T472 K578 S579 L583 D584	T472-I581 HydrophobicContact CG2-CD1 3.65Å; T472-I581 HydrophobicContact CG2-CG1 3.59Å; K578-I581 PolarHBondContact O-N 2.93Å; S579-I581 VanDerWaalsContact C-N 3.32Å; S579-I581 PolarHBondContact O-N 3.48Å; I581-L583 PolarHBondContact O-N 3.48Å; I581-D584 PolarHBondContact O-N 3.22Å
582	Q	97	Very high	97.3	Very high	133 Å²	133	48.7 Å²	48.7	62%	0.621	24%	0.241	S	C	*	.	H	α-helix	trans	-58.2	-35.1	-174.8	-177.9	-179.5	-1.6	0	0	112.6	K578 S579	K578-Q582 WeakPolarHBondContact O-CB 3.5Å; K578-Q582 PolarHBondContact O-N 3.15Å; S579-Q582 PolarHBondContact O-N 3.32Å
583	L	97.4	Very high	97.3	Very high	25 Å²	25	48.8 Å²	48.8	13%	0.131	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.3	-178.5	-64.9	174.1	0	0	0	113.1	S579 I581 L585 T588 K590 M592 P648 I696 L698	S579-L583 WeakPolarHBondContact O-CB 3.34Å; S579-L583 PolarHBondContact O-N 2.97Å; I581-L583 PolarHBondContact O-N 3.48Å; L583-L585 VanDerWaalsContact C-N 3.34Å; L583-L585 HydrophobicContact CB-CD1 3.47Å; L583-L585 VanDerWaalsContact CB-CD1 3.47Å; L583-L585 PolarHBondContact O-N 2.83Å; L583-T588 PolarHBondContact O-OG1 3.39Å; L583-K590 HydrophobicContact CB-CD 4.34Å; L583-K590 WeakPolarHBondContact O-CD 3.49Å; L583-K590 PolarHBondContact O-NZ 2.7Å; L583-M592 HydrophobicContact CD1-CG 3.91Å; L583-M592 HydrophobicContact CD1-SD 3.69Å; L583-P648 HydrophobicContact CD1-CB 4.39Å; L583-P648 HydrophobicContact CD1-CG 4.49Å; L583-P648 HydrophobicContact CD2-CB 4.08Å; L583-P648 HydrophobicContact CD2-CG 4.19Å; L583-I696 HydrophobicContact CD1-CG2 3.9Å; L583-I696 HydrophobicContact CD2-CG2 4.32Å; L583-L698 HydrophobicContact CD1-CD2 3.95Å
584	D	96.4	Very high	97.3	Very high	68 Å²	68	47.7 Å²	47.7	36%	0.364	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	48	177.9	-171.5	27.5	0	0	0	113.2	V580 I581 A586 N587 T588	V580-D584 PolarHBondContact O-N 3.5Å; I581-D584 PolarHBondContact O-N 3.22Å; D584-A586 PolarHBondContact O-N 3.28Å; D584-N587 PolarHBondContact O-N 3.16Å; D584-N587 PolarHBondContact OD1-ND2 3.11Å; D584-T588 WeakPolarHBondContact O-CB 3.46Å; D584-T588 PolarHBondContact O-N 3.42Å; D584-T588 VanDerWaalsContact O-N 3.08Å; D584-T588 PolarHBondContact O-OG1 3.37Å
585	L	96.1	Very high	97.3	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-17	179.7	-96.7	68.7	0	0	0	113.2	Y558 V580 L583 N587 K590 M592	Y558-L585 HydrophobicContact CD1-CB 4.44Å; Y558-L585 HydrophobicContact CD1-CD2 4.18Å; Y558-L585 HydrophobicContact CE1-CB 3.68Å; Y558-L585 HydrophobicContact CE1-CD2 4.24Å; V580-L585 HydrophobicContact CG1-CB 4.24Å; V580-L585 HydrophobicContact CG2-CD2 4.05Å; V580-L585 PolarHBondContact O-N 3Å; V580-L585 VanDerWaalsContact O-N 3.09Å; L583-L585 VanDerWaalsContact C-N 3.34Å; L583-L585 HydrophobicContact CB-CD1 3.47Å; L583-L585 VanDerWaalsContact CB-CD1 3.47Å; L583-L585 PolarHBondContact O-N 2.83Å; L585-N587 VanDerWaalsContact C-N 3.35Å; L585-K590 HydrophobicContact CD1-CB 4Å; L585-K590 HydrophobicContact CD1-CD 4.36Å; L585-K590 HydrophobicContact CG-CB 4.23Å; L585-M592 HydrophobicContact CD1-CG 3.97Å; L585-M592 HydrophobicContact CD1-SD 3.9Å; L585-M592 HydrophobicContact CD2-CE 3.67Å; L585-M592 HydrophobicContact CD2-CG 3.93Å; L585-M592 HydrophobicContact CD2-SD 3.9Å
586	A	94.3	Very high	97.3	Very high	48 Å²	48	41.7 Å²	41.7	40%	0.397	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-40	176.7	0	0	0	0	0	111.4	Y558 D584 R664	Y558-A586 WeakPolarHBondContact OH-CA 3.25Å; Y558-A586 PolarHBondContact OH-N 2.85Å; D584-A586 PolarHBondContact O-N 3.28Å; A586-R664 PolarHBondContact O-NH1 3.21Å
587	N	94.6	Very high	97.3	Very high	131 Å²	131	41.8 Å²	41.8	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-7.9	-173	-56.7	-62.8	0	0	0	113.9	D584 L585	D584-N587 PolarHBondContact O-N 3.16Å; D584-N587 PolarHBondContact OD1-ND2 3.11Å; L585-N587 VanDerWaalsContact C-N 3.35Å
588	T	95.8	Very high	97.3	Very high	42 Å²	42	40 Å²	40	26%	0.258	21%	0.205	S	C	.	.	S	Bend	trans	-122.9	144.5	-177.4	63.1	0	0	0	0	112.2	L583 D584 K590	L583-T588 PolarHBondContact O-OG1 3.39Å; D584-T588 WeakPolarHBondContact O-CB 3.46Å; D584-T588 PolarHBondContact O-N 3.42Å; D584-T588 VanDerWaalsContact O-N 3.08Å; D584-T588 PolarHBondContact O-OG1 3.37Å; T588-K590 PolarHBondContact O-N 3.13Å; T588-K590 VanDerWaalsContact O-N 3.08Å; T588-K590 VanDerWaalsContact OG1-CD 3.25Å; T588-K590 WeakPolarHBondContact OG1-CD 3.48Å; T588-K590 WeakPolarHBondContact OG1-CE 3.44Å; T588-K590 PolarHBondContact OG1-NZ 3.43Å; T588-K590 VanDerWaalsContact OG1-NZ 3.16Å
589	K	96.1	Very high	97.1	Very high	93 Å²	93	33.7 Å²	33.7	40%	0.404	18%	0.177	S	C	.	.			trans	-79.1	88.8	172.2	-71	-170.3	179.1	-173.3	0	109.5	Q691 Y693 E694	K589-Q691 VanDerWaalsContact CD-O 3.25Å; K589-Q691 WeakPolarHBondContact CD-O 3.45Å; K589-Q691 PolarHBondContact NZ-O 3.39Å; K589-Y693 HydrophobicContact CB-CD1 4.08Å; K589-Y693 HydrophobicContact CB-CD2 4.14Å; K589-Y693 HydrophobicContact CB-CE1 4.24Å; K589-Y693 HydrophobicContact CB-CE2 4.31Å; K589-Y693 HydrophobicContact CB-CG 4.03Å; K589-Y693 HydrophobicContact CD-CD2 4.06Å; K589-Y693 HydrophobicContact CD-CE2 3.88Å; K589-Y693 HydrophobicContact CG-CD2 4.48Å; K589-Y693 HydrophobicContact CG-CE2 4.24Å; K589-Y693 CarbonylContact O-C 3.48Å; K589-Y693 WeakPolarHBondContact O-CA 3.4Å; K589-E694 PolarHBondContact O-N 3.38Å
590	K	98.1	Very high	96.8	Very high	32 Å²	32	38.6 Å²	38.6	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.6	177.5	-69.3	176.6	-174.6	150.9	0	110.8	L583 L585 T588 E694 I696	L583-K590 HydrophobicContact CB-CD 4.34Å; L583-K590 WeakPolarHBondContact O-CD 3.49Å; L583-K590 PolarHBondContact O-NZ 2.7Å; L585-K590 HydrophobicContact CD1-CB 4Å; L585-K590 HydrophobicContact CD1-CD 4.36Å; L585-K590 HydrophobicContact CG-CB 4.23Å; T588-K590 PolarHBondContact O-N 3.13Å; T588-K590 VanDerWaalsContact O-N 3.08Å; T588-K590 VanDerWaalsContact OG1-CD 3.25Å; T588-K590 WeakPolarHBondContact OG1-CD 3.48Å; T588-K590 WeakPolarHBondContact OG1-CE 3.44Å; T588-K590 PolarHBondContact OG1-NZ 3.43Å; T588-K590 VanDerWaalsContact OG1-NZ 3.16Å; K590-E694 WeakPolarHBondContact CA-O 3.45Å; K590-E694 VanDerWaalsContact CE-OE2 3.23Å; K590-E694 WeakPolarHBondContact CE-OE2 3.45Å; K590-E694 HydrophobicContact CG-CB 4.21Å; K590-I696 HydrophobicContact CB-CG1 4.48Å; K590-I696 HydrophobicContact CD-CG1 4.24Å; K590-I696 HydrophobicContact CG-CG1 4.3Å
591	A	98.4	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.3	168.1	0	0	0	0	0	107.9	I593 V661 V663 L688 Y693 E694 F695 I696	A591-I593 PolarHBondContact O-N 2.7Å; A591-V661 HydrophobicContact CB-CB 4.26Å; A591-V661 HydrophobicContact CB-CG1 4.21Å; A591-V663 HydrophobicContact CB-CG1 3.75Å; A591-L688 HydrophobicContact CB-CD1 4.5Å; A591-Y693 HydrophobicContact CB-CD1 4.38Å; A591-E694 PolarHBondContact N-O 2.95Å; A591-F695 HydrophobicContact CB-CD1 3.87Å; A591-F695 HydrophobicContact CB-CE1 4.05Å; A591-I696 PolarHBondContact O-N 3.03Å
592	M	98.7	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.4	178.4	-57.5	-174.4	-61.5	0	0	109.4	L576 V580 L583 L585 V661 V662 I696 L698	L576-M592 HydrophobicContact CD2-CE 4.16Å; V580-M592 HydrophobicContact CG2-CE 3.92Å; L583-M592 HydrophobicContact CD1-CG 3.91Å; L583-M592 HydrophobicContact CD1-SD 3.69Å; L585-M592 HydrophobicContact CD1-CG 3.97Å; L585-M592 HydrophobicContact CD1-SD 3.9Å; L585-M592 HydrophobicContact CD2-CE 3.67Å; L585-M592 HydrophobicContact CD2-CG 3.93Å; L585-M592 HydrophobicContact CD2-SD 3.9Å; M592-V661 CarbonylContact O-C 3.41Å; M592-V661 VanDerWaalsContact O-CA 3.25Å; M592-V661 WeakPolarHBondContact O-CA 3.46Å; M592-V662 HydrophobicContact CB-CB 4.2Å; M592-V662 HydrophobicContact CE-CB 3.65Å; M592-V662 HydrophobicContact CE-CG1 3.6Å; M592-V662 HydrophobicContact CE-CG2 4.26Å; M592-V662 PolarHBondContact N-O 2.91Å; M592-V662 PolarHBondContact O-N 3.32Å; M592-I696 CarbonylContact C-O 3.54Å; M592-I696 WeakPolarHBondContact CA-O 3.32Å; M592-L698 HydrophobicContact CB-CD1 3.94Å; M592-L698 HydrophobicContact CB-CD2 4.26Å; M592-L698 HydrophobicContact CB-CG 4.06Å; M592-L698 HydrophobicContact CG-CD2 4.41Å; M592-L698 HydrophobicContact SD-CD1 4.35Å; M592-L698 HydrophobicContact SD-CD2 4.08Å
593	I	98.8	Very high	95.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.6	178.5	-64.1	163	0	0	0	109.4	A591 P595 T637 V651 F657 P659 Y660 V661 F695 I696 V697 L698	A591-I593 PolarHBondContact O-N 2.7Å; I593-P595 WeakPolarHBondContact O-CD 3.45Å; I593-T637 HydrophobicContact CG2-CG2 4.3Å; I593-V651 HydrophobicContact CD1-CG2 3.71Å; I593-F657 HydrophobicContact CD1-CE1 4.01Å; I593-F657 HydrophobicContact CD1-CZ 3.71Å; I593-P659 HydrophobicContact CB-CB 4.48Å; I593-P659 HydrophobicContact CD1-CB 4.21Å; I593-P659 HydrophobicContact CD1-CG 4.33Å; I593-P659 HydrophobicContact CG1-CB 3.9Å; I593-P659 HydrophobicContact CG1-CG 4.18Å; I593-P659 HydrophobicContact CG2-CB 3.85Å; I593-Y660 WeakPolarHBondContact CA-O 3.45Å; I593-V661 HydrophobicContact CG1-CG1 3.94Å; I593-F695 HydrophobicContact CD1-CB 3.75Å; I593-F695 HydrophobicContact CD1-CD1 4.35Å; I593-F695 HydrophobicContact CD1-CG 4.45Å; I593-I696 PolarHBondContact N-O 3.17Å; I593-V697 HydrophobicContact CB-CG2 4.14Å; I593-V697 HydrophobicContact CD1-CG2 3.94Å; I593-V697 HydrophobicContact CG2-CG2 4.34Å; I593-L698 PolarHBondContact O-N 3.26Å
594	V	98.8	Very high	94.8	Very high	1 Å²	1	54 Å²	54	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.5	165.7	179.8	0	0	0	0	108.2	F560 L572 L576 Y660 V662 L698 A701 M703	F560-V594 HydrophobicContact CD2-CG2 4.49Å; F560-V594 HydrophobicContact CE2-CB 4.18Å; F560-V594 HydrophobicContact CE2-CG2 4.03Å; F560-V594 HydrophobicContact CZ-CB 4.47Å; F560-V594 HydrophobicContact CZ-CG2 4.47Å; L572-V594 HydrophobicContact CD2-CG1 4.3Å; L576-V594 HydrophobicContact CD2-CG2 4.2Å; V594-Y660 PolarHBondContact N-O 3.46Å; V594-V662 HydrophobicContact CG2-CG2 4.34Å; V594-L698 HydrophobicContact CG2-CD1 4.27Å; V594-A701 HydrophobicContact CG1-CB 3.96Å; V594-A701 HydrophobicContact CG2-CB 4.25Å; V594-M703 HydrophobicContact CB-CE 3.4Å; V594-M703 HydrophobicContact CG1-CB 4.48Å; V594-M703 HydrophobicContact CG1-CE 3.32Å; V594-M703 HydrophobicContact CG1-CG 4.43Å; V594-M703 HydrophobicContact CG2-CE 4.48Å; V594-M703 WeakPolarHBondContact O-CE 3.42Å
595	P	98.4	Very high	94.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.263	C	S	.	.			trans	-61	137.4	179.8	-31.9	41.8	0	0	0	113.6	I593 F597 T637 F639 W642 V697 A701 Y702 M703	I593-P595 WeakPolarHBondContact O-CD 3.45Å; P595-F597 HydrophobicContact CB-CE2 4.02Å; P595-F597 HydrophobicContact CB-CZ 4.34Å; P595-T637 HydrophobicContact CB-CG2 4.18Å; P595-T637 HydrophobicContact CG-CG2 3.98Å; P595-F639 HydrophobicContact CB-CE1 4.09Å; P595-W642 HydrophobicContact CG-CG 4.24Å; P595-V697 HydrophobicContact CG-CG1 3.62Å; P595-A701 WeakPolarHBondContact CD-O 3.34Å; P595-Y702 WeakPolarHBondContact O-CA 3.47Å; P595-M703 PolarHBondContact O-N 3.3Å
596	A	98	Very high	94.6	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.3	-177.1	0	0	0	0	0	112	F566 F625 F639 Y660 M703	F566-A596 HydrophobicContact CE1-CB 3.84Å; A596-F625 HydrophobicContact CB-CB 3.74Å; A596-F625 HydrophobicContact CB-CD1 4.15Å; A596-F625 HydrophobicContact CB-CG 4.14Å; A596-F625 VanDerWaalsContact O-CB 3.31Å; A596-F625 WeakPolarHBondContact O-CB 3.31Å; A596-F625 PolarHBondContact O-N 2.81Å; A596-F625 VanDerWaalsContact O-N 3.11Å; A596-F639 WeakPolarHBondContact O-CE1 3.43Å; A596-Y660 HydrophobicContact CB-CD2 3.74Å; A596-Y660 HydrophobicContact CB-CE2 3.79Å; A596-M703 HydrophobicContact CB-CG 4.12Å
597	F	98	Very high	94.7	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	166.2	175.4	-59.2	-84.8	0	0	0	109.9	P595 L613 L617 F623 T624 F639 W642 M703 I704 H705	P595-F597 HydrophobicContact CB-CE2 4.02Å; P595-F597 HydrophobicContact CB-CZ 4.34Å; F597-L613 HydrophobicContact CD1-CD2 4.29Å; F597-L613 HydrophobicContact CD2-CD1 3.78Å; F597-L613 HydrophobicContact CD2-CD2 4.28Å; F597-L613 HydrophobicContact CE1-CD2 4.02Å; F597-L613 HydrophobicContact CE2-CD1 4.05Å; F597-L613 HydrophobicContact CE2-CD2 4.01Å; F597-L613 HydrophobicContact CG-CD1 4.22Å; F597-L613 HydrophobicContact CG-CD2 4.41Å; F597-L613 HydrophobicContact CZ-CD2 3.87Å; F597-L617 HydrophobicContact CD1-CD1 4.2Å; F597-L617 HydrophobicContact CD1-CD2 3.88Å; F597-L617 HydrophobicContact CE1-CD1 3.77Å; F597-L617 HydrophobicContact CE1-CD2 4.25Å; F597-F623 CarbonylContact C-O 3.54Å; F597-F623 VanDerWaalsContact CA-O 3.23Å; F597-F623 WeakPolarHBondContact CA-O 3.38Å; F597-F623 WeakPolarHBondContact CB-O 2.98Å; F597-T624 HydrophobicContact CD1-CG2 4.36Å; F597-T624 HydrophobicContact CE1-CG2 4.17Å; F597-F639 AromaticContact CE1-CD1 3.88Å; F597-F639 HydrophobicContact CE1-CD1 3.88Å; F597-F639 HydrophobicContact CE1-CE1 4.05Å; F597-F639 AromaticContact CZ-CD1 3.98Å; F597-F639 HydrophobicContact CZ-CD1 3.98Å; F597-F639 HydrophobicContact CZ-CE1 4.09Å; F597-W642 HydrophobicContact CE1-CZ3 4.33Å; F597-W642 AromaticContact CE2-CH2 3.87Å; F597-W642 HydrophobicContact CE2-CH2 3.87Å; F597-W642 HydrophobicContact CE2-CZ2 4.29Å; F597-W642 HydrophobicContact CE2-CZ3 4.03Å; F597-W642 HydrophobicContact CZ-CD2 4.34Å; F597-W642 AromaticContact CZ-CE3 3.74Å; F597-W642 HydrophobicContact CZ-CE3 3.74Å; F597-W642 AromaticContact CZ-CH2 3.77Å; F597-W642 HydrophobicContact CZ-CH2 3.77Å; F597-W642 HydrophobicContact CZ-CZ2 4.38Å; F597-W642 AromaticContact CZ-CZ3 3.43Å; F597-W642 HydrophobicContact CZ-CZ3 3.43Å; F597-W642 VanDerWaalsContact CZ-CZ3 3.43Å; F597-M703 PolarHBondContact N-O 3.05Å; F597-I704 HydrophobicContact CB-CG1 4.41Å; F597-I704 CarbonylContact O-C 3.54Å; F597-I704 WeakPolarHBondContact O-CA 3.23Å; F597-H705 WeakPolarHBondContact O-CB 3.4Å; F597-H705 PolarHBondContact O-N 3.09Å
598	E	97	Very high	94.7	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.023	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.8	176.3	62.7	-169.7	-176.5	0	0	112.3	L622 F623 F625 R626 Y627 H628 H705	E598-L622 WeakPolarHBondContact O-CA 3.46Å; E598-F623 HydrophobicContact CG-CB 3.99Å; E598-F623 PolarHBondContact N-O 3.03Å; E598-F623 PolarHBondContact O-N 3.27Å; E598-F625 HydrophobicContact CB-CD2 4.1Å; E598-F625 WeakPolarHBondContact OE2-CD2 3.46Å; E598-R626 PolarHBondContact OE1-N 3.11Å; E598-R626 PolarHBondContact OE2-N 3.18Å; E598-Y627 WeakPolarHBondContact OE1-CD1 3.46Å; E598-H628 IonicContact OE1-CE1 3.35Å; E598-H628 PolarHBondContact OE1-CE1 3.14Å; E598-H628 IonicContact OE1-ND1 2.66Å; E598-H628 PolarHBondContact OE1-ND1 3.1Å; E598-H705 HydrophobicContact CB-CB 4.04Å
599	T	95.1	Very high	94.7	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	26%	0.256	C	S	.	.			trans	-112.4	147.9	164.3	-179	0	0	0	0	109	R601 L604 I704 H705 M706 P707	T599-R601 WeakPolarHBondContact CG2-O 3.45Å; T599-R601 PolarHBondContact OG1-N 2.62Å; T599-L604 HydrophobicContact CG2-CB 4.45Å; T599-L604 HydrophobicContact CG2-CD2 4.12Å; T599-I704 HydrophobicContact CG2-CG2 4.4Å; T599-H705 PolarHBondContact N-O 3.21Å; T599-M706 HydrophobicContact CG2-CE 4.3Å; T599-M706 HydrophobicContact CG2-SD 4.08Å; T599-P707 HydrophobicContact CG2-CG 4.23Å; T599-P707 WeakPolarHBondContact O-CD 3.44Å; T599-P707 VanDerWaalsContact O-CG 3.24Å; T599-P707 WeakPolarHBondContact O-CG 3.46Å
600	L	90.6	Very high	94.7	Very high	104 Å²	104	53.4 Å²	53.4	55%	0.545	24%	0.244	S	C	.	.	S	Bend	trans	-93.7	-2.3	168.2	-58.7	179	0	0	0	111.9	F623	L600-F623 HydrophobicContact CD1-CE2 4.06Å; L600-F623 HydrophobicContact CG-CD2 4.41Å; L600-F623 HydrophobicContact CG-CE2 4.18Å
601	R	89.5	Confident	94.7	Very high	147 Å²	147	55.3 Å²	55.3	56%	0.555	27%	0.265	S	S	*	.			trans	-98.4	128.9	-176.8	-57.1	-179.2	-179.1	-173.3	0.2	110.4	T599 R603	T599-R601 WeakPolarHBondContact CG2-O 3.45Å; T599-R601 PolarHBondContact OG1-N 2.62Å; R601-R603 WeakPolarHBondContact CB-O 3.27Å; R601-R603 PolarHBondContact O-N 3.12Å
602	Y	84.1	Confident	94.6	Very high	184 Å²	184	58.5 Å²	58.5	72%	0.722	28%	0.28	S	S	*	.	S	Bend	trans	-64	-25.8	174.6	-70.8	-76.9	0	0	0	113.6	P707	Y602-P707 HydrophobicContact CD1-CB 3.97Å; Y602-P707 HydrophobicContact CE1-CB 3.82Å
603	R	85.3	Confident	94.6	Very high	231 Å²	231	58.5 Å²	58.5	87%	0.872	28%	0.28	S	S	*	.	S	Bend	trans	-112	120.8	173.7	-65.5	-176	-179	177.3	0.5	108.9	R601	R601-R603 WeakPolarHBondContact CB-O 3.27Å; R601-R603 PolarHBondContact O-N 3.12Å
604	L	88.9	Confident	94.5	Very high	36 Å²	36	59.9 Å²	59.9	19%	0.188	29%	0.287	C	S	.	.			trans	-125.9	128.6	178.9	-176.1	68.8	0	0	0	108.7	T599 F606 M616 L622 I704 M706	T599-L604 HydrophobicContact CG2-CB 4.45Å; T599-L604 HydrophobicContact CG2-CD2 4.12Å; L604-F606 HydrophobicContact CD2-CD2 4.26Å; L604-F606 PolarHBondContact O-N 3.33Å; L604-M616 HydrophobicContact CD1-CE 3.42Å; L604-M616 VanDerWaalsContact CD1-CE 3.42Å; L604-M616 HydrophobicContact CG-CE 4.37Å; L604-L622 HydrophobicContact CD1-CD2 4.05Å; L604-L622 HydrophobicContact CD2-CD2 4.23Å; L604-I704 HydrophobicContact CD2-CD1 4Å; L604-I704 HydrophobicContact CD2-CG2 3.89Å; L604-M706 HydrophobicContact CB-CE 4.26Å; L604-M706 HydrophobicContact CD2-SD 4.32Å
605	S	92.8	Very high	94.5	Very high	93 Å²	93	62.6 Å²	62.6	65%	0.65	31%	0.306	S	S	*	.			trans	-73.9	104.6	158.2	-177.6	0	0	0	0	106.5
606	F	95.8	Very high	94.4	Very high	23 Å²	23	63.5 Å²	63.5	10%	0.101	31%	0.311	C	S	.	.			trans	-66.4	128.5	-172.5	-164	-81.3	0	0	0	110.3	H494 L567 P568 Y570 L604 K608 Y702 I704	H494-F606 AromaticContact CE1-CD1 3.71Å; H494-F606 AromaticContact CE1-CD2 3.54Å; H494-F606 AromaticContact CE1-CE1 3.93Å; H494-F606 AromaticContact CE1-CE2 3.74Å; H494-F606 AromaticContact CE1-CG 3.52Å; H494-F606 AromaticContact CE1-CZ 3.94Å; H494-F606 AromaticContact ND1-CZ 3.94Å; L567-F606 HydrophobicContact CB-CD2 4.31Å; L567-F606 HydrophobicContact CB-CE2 3.58Å; L567-F606 HydrophobicContact CB-CZ 4.3Å; L567-F606 HydrophobicContact CD1-CD2 4.36Å; L567-F606 HydrophobicContact CD1-CE2 4.42Å; P568-F606 WeakPolarHBondContact O-CZ 3.35Å; Y570-F606 HydrophobicContact CD2-CD1 4.19Å; Y570-F606 AromaticContact CE2-CD1 3.97Å; Y570-F606 HydrophobicContact CE2-CD1 3.97Å; Y570-F606 HydrophobicContact CE2-CG 4.48Å; L604-F606 HydrophobicContact CD2-CD2 4.26Å; L604-F606 PolarHBondContact O-N 3.33Å; F606-K608 PolarHBondContact O-N 2.74Å; F606-Y702 AromaticContact CE1-CE2 3.97Å; F606-Y702 HydrophobicContact CE1-CE2 3.97Å; F606-Y702 HydrophobicContact CZ-CE2 4.28Å; F606-I704 HydrophobicContact CD2-CD1 4.22Å; F606-I704 HydrophobicContact CE1-CD1 4.46Å; F606-I704 HydrophobicContact CE2-CB 3.95Å; F606-I704 HydrophobicContact CE2-CD1 3.78Å; F606-I704 HydrophobicContact CE2-CG1 4.04Å; F606-I704 HydrophobicContact CZ-CB 4.44Å; F606-I704 HydrophobicContact CZ-CD1 3.92Å; F606-I704 HydrophobicContact CZ-CG1 4.13Å
607	P	96.8	Very high	94.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.317	C	S	.	.			trans	-65.2	133.4	-176.9	24.4	-32.1	0	0	0	111.1	E612 L613 M616 L622 Y702 I704	P607-E612 HydrophobicContact CB-CB 4.08Å; P607-E612 HydrophobicContact CB-CG 4.02Å; P607-L613 HydrophobicContact CB-CB 4.01Å; P607-L613 HydrophobicContact CG-CB 4.05Å; P607-L613 HydrophobicContact CG-CD1 4.26Å; P607-L613 HydrophobicContact CG-CG 4.48Å; P607-M616 HydrophobicContact CB-SD 3.83Å; P607-M616 HydrophobicContact CG-SD 4.07Å; P607-L622 HydrophobicContact CG-CD1 4.32Å; P607-Y702 HydrophobicContact CG-CE2 3.91Å; P607-Y702 PolarHBondContact O-OH 3.25Å; P607-I704 VanDerWaalsContact CD-CD1 3.48Å; P607-I704 HydrophobicContact CG-CD1 3.52Å
608	K	94	Very high	94.3	Very high	173 Å²	173	69.7 Å²	69.7	75%	0.752	34%	0.343	S	S	*	.	S	Bend	trans	-87.1	-11.4	-179.1	-60.4	-178.9	-178.4	179	0	113.1	F606 E612	F606-K608 PolarHBondContact O-N 2.74Å; K608-E612 PolarHBondContact N-OE2 3.47Å
609	S	95.6	Very high	94.2	Very high	54 Å²	54	75.2 Å²	75.2	38%	0.378	37%	0.371	S	S	.	.	S	Bend	trans	-151.9	161.8	-179.7	68.8	0	0	0	0	112.1	A611 E612 L613 Y702	S609-A611 PolarHBondContact O-N 3.27Å; S609-E612 PolarHBondContact O-N 3.49Å; S609-E612 PolarHBondContact OG-N 3.04Å; S609-L613 PolarHBondContact O-N 2.88Å; S609-Y702 PolarHBondContact N-OH 3.12Å
610	K	96.8	Very high	94.1	Very high	31 Å²	31	76.8 Å²	76.8	14%	0.135	39%	0.387	C	S	.	.	H	α-helix	trans	-54.4	-40.9	170.9	-179.9	175.4	-179.6	176.4	0	112	E612 L613 L614 W642 A645 P699	K610-E612 PolarHBondContact O-N 3.4Å; K610-L613 PolarHBondContact O-N 2.83Å; K610-L614 HydrophobicContact CG-CD1 4.2Å; K610-L614 HydrophobicContact CG-CG 4.34Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.29Å; K610-L614 PolarHBondContact O-N 3.18Å; K610-W642 HydrophobicContact CD-CH2 4.15Å; K610-W642 HydrophobicContact CD-CZ2 4.18Å; K610-W642 WeakPolarHBondContact CE-O 3.49Å; K610-W642 HydrophobicContact CG-CH2 3.82Å; K610-W642 HydrophobicContact CG-CZ2 4.29Å; K610-W642 HydrophobicContact CG-CZ3 4.31Å; K610-W642 PolarHBondContact NZ-O 3.13Å; K610-A645 PolarHBondContact NZ-O 3.09Å; K610-P699 WeakPolarHBondContact CD-O 2.92Å; K610-P699 WeakPolarHBondContact CE-O 3.33Å; K610-P699 PolarHBondContact NZ-O 2.92Å
611	A	97.1	Very high	94.3	Very high	71 Å²	71	72.7 Å²	72.7	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-62.5	-42	179.5	0	0	0	0	0	112.3	S609 L614 S615	S609-A611 PolarHBondContact O-N 3.27Å; A611-L614 PolarHBondContact O-N 3.32Å; A611-S615 PolarHBondContact O-N 3.48Å
612	E	97.4	Very high	94.6	Very high	67 Å²	67	65.8 Å²	65.8	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-66.2	-42.9	175.2	-170.6	178.5	179.3	0	0	111.4	P607 K608 S609 K610 L614 S615 M616	P607-E612 HydrophobicContact CB-CB 4.08Å; P607-E612 HydrophobicContact CB-CG 4.02Å; K608-E612 PolarHBondContact N-OE2 3.47Å; S609-E612 PolarHBondContact O-N 3.49Å; S609-E612 PolarHBondContact OG-N 3.04Å; K610-E612 PolarHBondContact O-N 3.4Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 3.19Å; E612-S615 WeakPolarHBondContact O-CB 2.91Å; E612-S615 PolarHBondContact O-N 3.03Å; E612-M616 HydrophobicContact CG-SD 4.45Å; E612-M616 VanDerWaalsContact O-CG 3.3Å; E612-M616 WeakPolarHBondContact O-CG 3.44Å; E612-M616 PolarHBondContact O-N 2.69Å
613	L	97.8	Very high	95.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-42.6	174.6	-178.5	148.3	0	0	0	112	F597 P607 S609 K610 M616 L617 L622 W642 Y702 I704	F597-L613 HydrophobicContact CD1-CD2 4.29Å; F597-L613 HydrophobicContact CD2-CD1 3.78Å; F597-L613 HydrophobicContact CD2-CD2 4.28Å; F597-L613 HydrophobicContact CE1-CD2 4.02Å; F597-L613 HydrophobicContact CE2-CD1 4.05Å; F597-L613 HydrophobicContact CE2-CD2 4.01Å; F597-L613 HydrophobicContact CG-CD1 4.22Å; F597-L613 HydrophobicContact CG-CD2 4.41Å; F597-L613 HydrophobicContact CZ-CD2 3.87Å; P607-L613 HydrophobicContact CB-CB 4.01Å; P607-L613 HydrophobicContact CG-CB 4.05Å; P607-L613 HydrophobicContact CG-CD1 4.26Å; P607-L613 HydrophobicContact CG-CG 4.48Å; S609-L613 PolarHBondContact O-N 2.88Å; K610-L613 PolarHBondContact O-N 2.83Å; L613-M616 WeakPolarHBondContact O-CB 3.45Å; L613-M616 PolarHBondContact O-N 3.34Å; L613-L617 HydrophobicContact CD2-CD1 3.66Å; L613-L617 HydrophobicContact CD2-CG 4.13Å; L613-L617 WeakPolarHBondContact O-CG 3.46Å; L613-L617 PolarHBondContact O-N 2.83Å; L613-L622 HydrophobicContact CD1-CD1 4.4Å; L613-L622 HydrophobicContact CG-CD1 4.04Å; L613-W642 HydrophobicContact CD2-CH2 3.86Å; L613-W642 HydrophobicContact CD2-CZ3 3.77Å; L613-Y702 HydrophobicContact CD1-CD1 4.03Å; L613-Y702 HydrophobicContact CD1-CD2 3.23Å; L613-Y702 HydrophobicContact CD1-CE1 4.32Å; L613-Y702 HydrophobicContact CD1-CE2 3.59Å; L613-Y702 HydrophobicContact CD1-CG 3.48Å; L613-Y702 VanDerWaalsContact CD1-CG 3.48Å; L613-I704 HydrophobicContact CD1-CD1 4.43Å
614	L	97.9	Very high	95.6	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-43.8	176.3	-69.4	175	0	0	0	111.7	K610 A611 E612 M616 L617 D618 W642 R643	K610-L614 HydrophobicContact CG-CD1 4.2Å; K610-L614 HydrophobicContact CG-CG 4.34Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.29Å; K610-L614 PolarHBondContact O-N 3.18Å; A611-L614 PolarHBondContact O-N 3.32Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 3.19Å; L614-M616 VanDerWaalsContact C-N 3.28Å; L614-M616 PolarHBondContact O-N 3.29Å; L614-L617 HydrophobicContact CD2-CD1 4.22Å; L614-L617 WeakPolarHBondContact O-CB 3.22Å; L614-L617 PolarHBondContact O-N 3.24Å; L614-D618 PolarHBondContact O-N 3.46Å; L614-W642 HydrophobicContact CD2-CZ3 4.08Å; L614-R643 HydrophobicContact CD2-CB 3.95Å; L614-R643 HydrophobicContact CD2-CG 3.6Å
615	S	97.6	Very high	95.9	Very high	59 Å²	59	49.2 Å²	49.2	41%	0.413	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-42.6	173.1	-179.9	0	0	0	0	111.5	A611 E612 L617 D618 M619	A611-S615 PolarHBondContact O-N 3.48Å; E612-S615 WeakPolarHBondContact O-CB 2.91Å; E612-S615 PolarHBondContact O-N 3.03Å; S615-L617 PolarHBondContact O-N 2.76Å; S615-D618 PolarHBondContact O-N 3.46Å; S615-M619 WeakPolarHBondContact O-CB 3.36Å; S615-M619 WeakPolarHBondContact O-CE 3.29Å; S615-M619 WeakPolarHBondContact O-CG 3.29Å; S615-M619 PolarHBondContact O-N 3.28Å
616	M	97.3	Very high	95.8	Very high	19 Å²	19	48.7 Å²	48.7	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-33.8	177.5	-70.3	178.5	83.5	0	0	113.7	L604 P607 E612 L613 L614 M619 G620 T621 L622	L604-M616 HydrophobicContact CD1-CE 3.42Å; L604-M616 VanDerWaalsContact CD1-CE 3.42Å; L604-M616 HydrophobicContact CG-CE 4.37Å; P607-M616 HydrophobicContact CB-SD 3.83Å; P607-M616 HydrophobicContact CG-SD 4.07Å; E612-M616 HydrophobicContact CG-SD 4.45Å; E612-M616 VanDerWaalsContact O-CG 3.3Å; E612-M616 WeakPolarHBondContact O-CG 3.44Å; E612-M616 PolarHBondContact O-N 2.69Å; L613-M616 WeakPolarHBondContact O-CB 3.45Å; L613-M616 PolarHBondContact O-N 3.34Å; L614-M616 VanDerWaalsContact C-N 3.28Å; L614-M616 PolarHBondContact O-N 3.29Å; M616-M619 HydrophobicContact CG-CE 4.21Å; M616-G620 PolarHBondContact O-N 3.09Å; M616-T621 VanDerWaalsContact CA-OG1 3.32Å; M616-T621 WeakPolarHBondContact CA-OG1 3.38Å; M616-T621 VanDerWaalsContact CB-OG1 3.26Å; M616-T621 WeakPolarHBondContact CB-OG1 3.12Å; M616-T621 PolarHBondContact O-N 2.9Å; M616-T621 PolarHBondContact O-OG1 2.79Å; M616-L622 HydrophobicContact CB-CB 4.33Å; M616-L622 HydrophobicContact CB-CD1 3.78Å; M616-L622 HydrophobicContact CB-CG 3.94Å; M616-L622 HydrophobicContact CE-CD1 4.15Å; M616-L622 HydrophobicContact CE-CG 4.12Å; M616-L622 PolarHBondContact O-N 2.99Å; M616-L622 HydrophobicContact SD-CD1 4Å
617	L	96.1	Very high	95.4	Very high	27 Å²	27	52 Å²	52	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-44.7	170.7	-70.2	171.5	0	0	0	111	F597 L613 L614 S615 M619 G620 L622	F597-L617 HydrophobicContact CD1-CD1 4.2Å; F597-L617 HydrophobicContact CD1-CD2 3.88Å; F597-L617 HydrophobicContact CE1-CD1 3.77Å; F597-L617 HydrophobicContact CE1-CD2 4.25Å; L613-L617 HydrophobicContact CD2-CD1 3.66Å; L613-L617 HydrophobicContact CD2-CG 4.13Å; L613-L617 WeakPolarHBondContact O-CG 3.46Å; L613-L617 PolarHBondContact O-N 2.83Å; L614-L617 HydrophobicContact CD2-CD1 4.22Å; L614-L617 WeakPolarHBondContact O-CB 3.22Å; L614-L617 PolarHBondContact O-N 3.24Å; S615-L617 PolarHBondContact O-N 2.76Å; L617-M619 VanDerWaalsContact C-N 3.28Å; L617-M619 PolarHBondContact O-N 3.11Å; L617-G620 PolarHBondContact O-N 3.29Å; L617-L622 HydrophobicContact CD2-CB 3.89Å; L617-L622 WeakPolarHBondContact CD2-O 3.3Å; L617-L622 HydrophobicContact CG-CB 4.4Å
618	D	96.8	Very high	94.9	Very high	106 Å²	106	57 Å²	57	57%	0.567	30%	0.3	S	S	*	.	H	α-helix	trans	-67.5	-32.1	-178.1	-64	-15.2	0	0	0	111.8	L614 S615 G620 R643	L614-D618 PolarHBondContact O-N 3.46Å; S615-D618 PolarHBondContact O-N 3.46Å; D618-G620 VanDerWaalsContact C-N 3.26Å; D618-G620 PolarHBondContact O-N 3.36Å; D618-R643 IonicContact OD1-CZ 3.85Å; D618-R643 IonicContact OD1-NH1 3.62Å; D618-R643 PolarHBondContact OD1-NH1 3.34Å; D618-R643 IonicContact OD1-NH2 3.31Å; D618-R643 PolarHBondContact OD1-NH2 3.5Å; D618-R643 IonicContact OD2-NH2 2.65Å; D618-R643 PolarHBondContact OD2-NH2 3.49Å
619	M	95.3	Very high	94.5	Very high	122 Å²	122	52.7 Å²	52.7	60%	0.601	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-4.4	171.9	-68.2	-173.8	-67	0	0	114	S615 M616 L617 T621	S615-M619 WeakPolarHBondContact O-CB 3.36Å; S615-M619 WeakPolarHBondContact O-CE 3.29Å; S615-M619 WeakPolarHBondContact O-CG 3.29Å; S615-M619 PolarHBondContact O-N 3.28Å; M616-M619 HydrophobicContact CG-CE 4.21Å; L617-M619 VanDerWaalsContact C-N 3.28Å; L617-M619 PolarHBondContact O-N 3.11Å; M619-T621 VanDerWaalsContact C-N 3.28Å; M619-T621 HydrophobicContact CB-CG2 4.06Å; M619-T621 PolarHBondContact O-N 2.97Å
620	G	93.4	Very high	94.2	Very high	35 Å²	35	55.1 Å²	55.1	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	28.1	-177.5	0	0	0	0	0	113.9	M616 L617 D618 F623	M616-G620 PolarHBondContact O-N 3.09Å; L617-G620 PolarHBondContact O-N 3.29Å; D618-G620 VanDerWaalsContact C-N 3.26Å; D618-G620 PolarHBondContact O-N 3.36Å; G620-F623 VanDerWaalsContact O-CZ 3.3Å; G620-F623 WeakPolarHBondContact O-CZ 3.35Å
621	T	93.7	Very high	93.8	Very high	19 Å²	19	57.8 Å²	57.8	12%	0.117	31%	0.308	C	S	.	.	S	Bend	trans	-95.3	-25.1	176.1	62.7	0	0	0	0	112.8	M616 M619	M616-T621 VanDerWaalsContact CA-OG1 3.32Å; M616-T621 WeakPolarHBondContact CA-OG1 3.38Å; M616-T621 VanDerWaalsContact CB-OG1 3.26Å; M616-T621 WeakPolarHBondContact CB-OG1 3.12Å; M616-T621 PolarHBondContact O-N 2.9Å; M616-T621 PolarHBondContact O-OG1 2.79Å; M619-T621 VanDerWaalsContact C-N 3.28Å; M619-T621 HydrophobicContact CB-CG2 4.06Å; M619-T621 PolarHBondContact O-N 2.97Å
622	L	95.9	Very high	93.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	31%	0.307	C	S	.	.	S	Bend	trans	-119.3	158.8	167.5	-69.7	178.9	0	0	0	109.1	E598 L604 P607 L613 M616 L617 I704	E598-L622 WeakPolarHBondContact O-CA 3.46Å; L604-L622 HydrophobicContact CD1-CD2 4.05Å; L604-L622 HydrophobicContact CD2-CD2 4.23Å; P607-L622 HydrophobicContact CG-CD1 4.32Å; L613-L622 HydrophobicContact CD1-CD1 4.4Å; L613-L622 HydrophobicContact CG-CD1 4.04Å; M616-L622 HydrophobicContact CB-CB 4.33Å; M616-L622 HydrophobicContact CB-CD1 3.78Å; M616-L622 HydrophobicContact CB-CG 3.94Å; M616-L622 HydrophobicContact CE-CD1 4.15Å; M616-L622 HydrophobicContact CE-CG 4.12Å; M616-L622 PolarHBondContact O-N 2.99Å; M616-L622 HydrophobicContact SD-CD1 4Å; L617-L622 HydrophobicContact CD2-CB 3.89Å; L617-L622 WeakPolarHBondContact CD2-O 3.3Å; L617-L622 HydrophobicContact CG-CB 4.4Å; L622-I704 HydrophobicContact CD1-CD1 3.91Å; L622-I704 HydrophobicContact CD2-CD1 4.35Å; L622-I704 HydrophobicContact CD2-CG2 4.11Å
623	F	96	Very high	93.4	Very high	49 Å²	49	57.4 Å²	57.4	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.8	174.7	-54.2	-85.5	0	0	0	109.9	F597 E598 L600 G620 Y627	F597-F623 CarbonylContact C-O 3.54Å; F597-F623 VanDerWaalsContact CA-O 3.23Å; F597-F623 WeakPolarHBondContact CA-O 3.38Å; F597-F623 WeakPolarHBondContact CB-O 2.98Å; E598-F623 HydrophobicContact CG-CB 3.99Å; E598-F623 PolarHBondContact N-O 3.03Å; E598-F623 PolarHBondContact O-N 3.27Å; L600-F623 HydrophobicContact CD1-CE2 4.06Å; L600-F623 HydrophobicContact CG-CD2 4.41Å; L600-F623 HydrophobicContact CG-CE2 4.18Å; G620-F623 VanDerWaalsContact O-CZ 3.3Å; G620-F623 WeakPolarHBondContact O-CZ 3.35Å; F623-Y627 HydrophobicContact CB-CD1 3.4Å; F623-Y627 HydrophobicContact CB-CE1 3.46Å; F623-Y627 VanDerWaalsContact CB-CE1 3.46Å; F623-Y627 HydrophobicContact CB-CG 4.29Å; F623-Y627 HydrophobicContact CD1-CD1 4.13Å; F623-Y627 AromaticContact CD1-CE1 3.47Å; F623-Y627 HydrophobicContact CD1-CE1 3.47Å; F623-Y627 VanDerWaalsContact CD1-CE1 3.47Å; F623-Y627 HydrophobicContact CD1-CE2 4.32Å; F623-Y627 AromaticContact CD1-CZ 3.58Å; F623-Y627 HydrophobicContact CD2-CE1 4.08Å; F623-Y627 HydrophobicContact CE1-CE1 4.25Å; F623-Y627 AromaticContact CG-CD1 3.89Å; F623-Y627 HydrophobicContact CG-CD1 3.89Å; F623-Y627 AromaticContact CG-CE1 3.38Å; F623-Y627 HydrophobicContact CG-CE1 3.38Å; F623-Y627 AromaticContact CG-CZ 3.99Å
624	T	95.4	Very high	93.2	Very high	42 Å²	42	57.8 Å²	57.8	26%	0.258	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	141.6	164.8	52.4	0	0	0	0	108.7	F597 R626 Y627 F639	F597-T624 HydrophobicContact CD1-CG2 4.36Å; F597-T624 HydrophobicContact CE1-CG2 4.17Å; T624-R626 PolarHBondContact O-N 3.35Å; T624-Y627 WeakPolarHBondContact O-CB 3.5Å; T624-Y627 PolarHBondContact O-N 3.19Å; T624-Y627 WeakPolarHBondContact OG1-CB 3.16Å; T624-F639 HydrophobicContact CG2-CB 3.81Å; T624-F639 HydrophobicContact CG2-CD1 3.58Å; T624-F639 HydrophobicContact CG2-CD2 3.8Å; T624-F639 HydrophobicContact CG2-CE1 4.02Å; T624-F639 HydrophobicContact CG2-CE2 4.22Å; T624-F639 HydrophobicContact CG2-CG 3.45Å; T624-F639 VanDerWaalsContact CG2-CG 3.45Å; T624-F639 HydrophobicContact CG2-CZ 4.32Å
625	F	95.3	Very high	93.1	Very high	13 Å²	13	59 Å²	59	6%	0.057	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	131.6	-171.7	178.5	-121.5	0	0	0	111.4	F566 A596 E598 Y627 H634 Y660 H705	F566-F625 HydrophobicContact CE1-CD2 4.27Å; F566-F625 HydrophobicContact CE1-CE2 4.36Å; F566-F625 HydrophobicContact CE1-CG 4.39Å; F566-F625 HydrophobicContact CE2-CE2 4.45Å; F566-F625 HydrophobicContact CE2-CZ 4.19Å; F566-F625 HydrophobicContact CZ-CD1 4.08Å; F566-F625 AromaticContact CZ-CD2 3.94Å; F566-F625 HydrophobicContact CZ-CD2 3.94Å; F566-F625 AromaticContact CZ-CE1 3.79Å; F566-F625 HydrophobicContact CZ-CE1 3.79Å; F566-F625 AromaticContact CZ-CE2 3.62Å; F566-F625 HydrophobicContact CZ-CE2 3.62Å; F566-F625 HydrophobicContact CZ-CG 4.18Å; F566-F625 AromaticContact CZ-CZ 3.54Å; F566-F625 HydrophobicContact CZ-CZ 3.54Å; A596-F625 HydrophobicContact CB-CB 3.74Å; A596-F625 HydrophobicContact CB-CD1 4.15Å; A596-F625 HydrophobicContact CB-CG 4.14Å; A596-F625 VanDerWaalsContact O-CB 3.31Å; A596-F625 WeakPolarHBondContact O-CB 3.31Å; A596-F625 PolarHBondContact O-N 2.81Å; A596-F625 VanDerWaalsContact O-N 3.11Å; E598-F625 HydrophobicContact CB-CD2 4.1Å; E598-F625 WeakPolarHBondContact OE2-CD2 3.46Å; F625-Y627 PolarHBondContact O-N 3.06Å; F625-H634 AromaticContact CD1-CD2 3.66Å; F625-H634 AromaticContact CD1-CE1 3.59Å; F625-H634 AromaticContact CD1-NE2 3.17Å; F625-H634 WeakPolarHBondContact CD1-NE2 2.97Å; F625-H634 AromaticContact CE1-CE1 3.98Å; F625-H634 AromaticContact CE1-NE2 3.39Å; F625-H634 WeakPolarHBondContact CE1-NE2 3.48Å; F625-Y660 HydrophobicContact CD1-CE2 4.18Å; F625-Y660 HydrophobicContact CE1-CE2 4.07Å; F625-Y660 WeakPolarHBondContact CE1-OH 3.45Å; F625-H705 HydrophobicContact CD2-CB 3.75Å; F625-H705 HydrophobicContact CE2-CB 3.77Å; F625-H705 AromaticContact CE2-CD2 3.8Å; F625-H705 AromaticContact CE2-CG 3.54Å; F625-H705 AromaticContact CE2-ND1 3.97Å
626	R	90.6	Very high	93	Very high	82 Å²	82	56.6 Å²	56.6	31%	0.309	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	24.5	-179	-58.9	-63.2	-171.8	-179.3	-1.3	115.9	E598 T624 H628 V629 W630	E598-R626 PolarHBondContact OE1-N 3.11Å; E598-R626 PolarHBondContact OE2-N 3.18Å; T624-R626 PolarHBondContact O-N 3.35Å; R626-H628 PolarHBondContact O-N 2.54Å; R626-V629 HydrophobicContact CB-CG2 4.01Å; R626-V629 HydrophobicContact CG-CG2 4.38Å; R626-V629 PolarHBondContact O-N 3.23Å; R626-V629 VanDerWaalsContact O-N 3.13Å; R626-W630 HydrophobicContact CB-CB 3.96Å; R626-W630 CarbonylContact O-C 3.48Å; R626-W630 PolarHBondContact O-N 3.31Å
627	Y	87.1	Confident	93	Very high	93 Å²	93	55.8 Å²	55.8	37%	0.365	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.8	-176.2	82.5	-78.5	0	0	0	115.3	E598 F623 T624 F625 T631	E598-Y627 WeakPolarHBondContact OE1-CD1 3.46Å; F623-Y627 HydrophobicContact CB-CD1 3.4Å; F623-Y627 HydrophobicContact CB-CE1 3.46Å; F623-Y627 VanDerWaalsContact CB-CE1 3.46Å; F623-Y627 HydrophobicContact CB-CG 4.29Å; F623-Y627 HydrophobicContact CD1-CD1 4.13Å; F623-Y627 AromaticContact CD1-CE1 3.47Å; F623-Y627 HydrophobicContact CD1-CE1 3.47Å; F623-Y627 VanDerWaalsContact CD1-CE1 3.47Å; F623-Y627 HydrophobicContact CD1-CE2 4.32Å; F623-Y627 AromaticContact CD1-CZ 3.58Å; F623-Y627 HydrophobicContact CD2-CE1 4.08Å; F623-Y627 HydrophobicContact CE1-CE1 4.25Å; F623-Y627 AromaticContact CG-CD1 3.89Å; F623-Y627 HydrophobicContact CG-CD1 3.89Å; F623-Y627 AromaticContact CG-CE1 3.38Å; F623-Y627 HydrophobicContact CG-CE1 3.38Å; F623-Y627 AromaticContact CG-CZ 3.99Å; T624-Y627 WeakPolarHBondContact O-CB 3.5Å; T624-Y627 PolarHBondContact O-N 3.19Å; T624-Y627 WeakPolarHBondContact OG1-CB 3.16Å; F625-Y627 PolarHBondContact O-N 3.06Å; Y627-T631 WeakPolarHBondContact O-CG2 3.12Å
628	H	86	Confident	93.1	Very high	103 Å²	103	58 Å²	58	48%	0.477	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.9	-175.1	60.8	-75.3	0	0	0	113.7	E598 R626	E598-H628 IonicContact OE1-CE1 3.35Å; E598-H628 PolarHBondContact OE1-CE1 3.14Å; E598-H628 IonicContact OE1-ND1 2.66Å; E598-H628 PolarHBondContact OE1-ND1 3.1Å; R626-H628 PolarHBondContact O-N 2.54Å
629	V	86.6	Confident	93.1	Very high	84 Å²	84	54.4 Å²	54.4	51%	0.509	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-29.3	-173.4	-76.9	0	0	0	0	114.1	R626	R626-V629 HydrophobicContact CB-CG2 4.01Å; R626-V629 HydrophobicContact CG-CG2 4.38Å; R626-V629 PolarHBondContact O-N 3.23Å; R626-V629 VanDerWaalsContact O-N 3.13Å
630	W	87.4	Confident	93.1	Very high	105 Å²	105	52.2 Å²	52.2	40%	0.398	28%	0.28	S	S	.	.			trans	-151.7	61.3	-175.3	-167.2	-112.6	0	0	0	111.3	R626 K632 G633 D656	R626-W630 HydrophobicContact CB-CB 3.96Å; R626-W630 CarbonylContact O-C 3.48Å; R626-W630 PolarHBondContact O-N 3.31Å; W630-K632 PolarHBondContact O-N 3.22Å; W630-G633 PolarHBondContact O-N 3.03Å; W630-D656 HydrophobicContact CH2-CB 4.3Å; W630-D656 HydrophobicContact CZ2-CB 3.65Å
631	T	89.6	Confident	93.4	Very high	86 Å²	86	55 Å²	55	53%	0.528	28%	0.282	S	S	.	.	S	Bend	trans	-60.7	-42.6	-177.7	47.5	0	0	0	0	113	Y627 G633 H634 A635	Y627-T631 WeakPolarHBondContact O-CG2 3.12Å; T631-G633 PolarHBondContact O-N 3.28Å; T631-H634 PolarHBondContact O-N 3.29Å; T631-H634 VanDerWaalsContact O-N 3.17Å; T631-A635 WeakPolarHBondContact O-CB 3.37Å; T631-A635 PolarHBondContact O-N 3.08Å
632	K	91.2	Very high	93.6	Very high	130 Å²	130	54.1 Å²	54.1	57%	0.565	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.7	-178.4	-68.5	-170.7	176.8	-174.3	0	112.6	W630 H634 D656	W630-K632 PolarHBondContact O-N 3.22Å; K632-H634 PolarHBondContact O-N 2.8Å; K632-H634 VanDerWaalsContact O-N 3.09Å; K632-D656 HydrophobicContact CB-CB 4.41Å
633	G	93.6	Very high	93.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.8	-177.9	0	0	0	0	0	115.3	W630 T631 D656 F657 E658	W630-G633 PolarHBondContact O-N 3.03Å; T631-G633 PolarHBondContact O-N 3.28Å; G633-D656 VanDerWaalsContact CA-O 3.3Å; G633-D656 WeakPolarHBondContact CA-O 3.46Å; G633-F657 WeakPolarHBondContact O-CD2 3.41Å; G633-E658 PolarHBondContact O-N 2.82Å
634	H	95.4	Very high	93.7	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.037	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-6.4	-179.4	-63.7	-79.7	0	0	0	114.1	F625 T631 K632 P636 T637 F639 E658	F625-H634 AromaticContact CD1-CD2 3.66Å; F625-H634 AromaticContact CD1-CE1 3.59Å; F625-H634 AromaticContact CD1-NE2 3.17Å; F625-H634 WeakPolarHBondContact CD1-NE2 2.97Å; F625-H634 AromaticContact CE1-CE1 3.98Å; F625-H634 AromaticContact CE1-NE2 3.39Å; F625-H634 WeakPolarHBondContact CE1-NE2 3.48Å; T631-H634 PolarHBondContact O-N 3.29Å; T631-H634 VanDerWaalsContact O-N 3.17Å; K632-H634 PolarHBondContact O-N 2.8Å; K632-H634 VanDerWaalsContact O-N 3.09Å; H634-P636 VanDerWaalsContact C-CD 3.47Å; H634-T637 WeakPolarHBondContact O-CB 3.36Å; H634-T637 PolarHBondContact O-N 3.02Å; H634-T637 PolarHBondContact O-OG1 3.39Å; H634-F639 HydrophobicContact CB-CE2 3.92Å; H634-F639 HydrophobicContact CB-CZ 4.2Å; H634-F639 WeakPolarHBondContact O-CE2 3.49Å; H634-E658 PolarHBondContact CE1-O 3.33Å
635	A	94.3	Very high	93.8	Very high	55 Å²	55	60.1 Å²	60.1	46%	0.455	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-52.8	-42.3	-179	0	0	0	0	0	114.1	T631 T637 N638	T631-A635 WeakPolarHBondContact O-CB 3.37Å; T631-A635 PolarHBondContact O-N 3.08Å; A635-T637 PolarHBondContact O-N 3.03Å; A635-N638 PolarHBondContact O-N 3.11Å
636	P	96.9	Very high	93.9	Very high	10 Å²	10	65 Å²	65	7%	0.065	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-59.8	-22.1	179.2	-26.7	36.1	0	0	0	114.4	H634 N638 V651 E654 F657	H634-P636 VanDerWaalsContact C-CD 3.47Å; P636-N638 PolarHBondContact O-N 2.97Å; P636-V651 VanDerWaalsContact O-CB 3.31Å; P636-V651 WeakPolarHBondContact O-CB 3.47Å; P636-V651 WeakPolarHBondContact O-CG1 3.34Å; P636-E654 HydrophobicContact CG-CB 3.73Å; P636-E654 HydrophobicContact CG-CG 3.88Å; P636-F657 HydrophobicContact CB-CD1 4.28Å; P636-F657 HydrophobicContact CB-CD2 3.8Å; P636-F657 HydrophobicContact CB-CE1 4.17Å; P636-F657 HydrophobicContact CB-CE2 3.71Å; P636-F657 HydrophobicContact CB-CG 4.1Å; P636-F657 HydrophobicContact CB-CZ 3.89Å; P636-F657 HydrophobicContact CG-CB 4.18Å; P636-F657 HydrophobicContact CG-CD1 4.42Å; P636-F657 HydrophobicContact CG-CD2 3.56Å; P636-F657 HydrophobicContact CG-CE2 3.99Å; P636-F657 HydrophobicContact CG-CG 3.82Å
637	T	97.3	Very high	94.2	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.012	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-56.5	-22.9	173.1	-46.6	0	0	0	0	112.4	I593 P595 H634 A635 F639 Y649 V697	I593-T637 HydrophobicContact CG2-CG2 4.3Å; P595-T637 HydrophobicContact CB-CG2 4.18Å; P595-T637 HydrophobicContact CG-CG2 3.98Å; H634-T637 WeakPolarHBondContact O-CB 3.36Å; H634-T637 PolarHBondContact O-N 3.02Å; H634-T637 PolarHBondContact O-OG1 3.39Å; A635-T637 PolarHBondContact O-N 3.03Å; T637-F639 HydrophobicContact CG2-CE1 4.27Å; T637-F639 HydrophobicContact CG2-CE2 4.47Å; T637-F639 HydrophobicContact CG2-CZ 4.21Å; T637-Y649 PolarHBondContact O-OH 3.38Å; T637-V697 HydrophobicContact CG2-CG1 4.1Å; T637-V697 HydrophobicContact CG2-CG2 4.19Å
638	N	97.3	Very high	94.8	Very high	74 Å²	74	62.6 Å²	62.6	40%	0.396	35%	0.345	S	S	.	.			trans	52.4	66.2	-179.3	-166.1	-21.2	0	0	0	112.5	A635 P636 A640 K641 W642 Y649	A635-N638 PolarHBondContact O-N 3.11Å; P636-N638 PolarHBondContact O-N 2.97Å; N638-A640 PolarHBondContact O-N 3.09Å; N638-A640 VanDerWaalsContact O-N 3.14Å; N638-K641 HydrophobicContact CB-CB 4.18Å; N638-K641 VanDerWaalsContact CG-CB 3.49Å; N638-K641 WeakPolarHBondContact O-CB 3.43Å; N638-K641 PolarHBondContact O-N 2.86Å; N638-K641 WeakPolarHBondContact OD1-CB 3.43Å; N638-K641 PolarHBondContact OD1-N 3.32Å; N638-W642 PolarHBondContact O-N 3.16Å; N638-Y649 PolarHBondContact O-OH 3.2Å
639	F	96.9	Very high	95.4	Very high	29 Å²	29	58.3 Å²	58.3	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-31	-179.7	-67.3	-84	0	0	0	113.1	P595 A596 F597 T624 H634 T637 W642 R643	P595-F639 HydrophobicContact CB-CE1 4.09Å; A596-F639 WeakPolarHBondContact O-CE1 3.43Å; F597-F639 AromaticContact CE1-CD1 3.88Å; F597-F639 HydrophobicContact CE1-CD1 3.88Å; F597-F639 HydrophobicContact CE1-CE1 4.05Å; F597-F639 AromaticContact CZ-CD1 3.98Å; F597-F639 HydrophobicContact CZ-CD1 3.98Å; F597-F639 HydrophobicContact CZ-CE1 4.09Å; T624-F639 HydrophobicContact CG2-CB 3.81Å; T624-F639 HydrophobicContact CG2-CD1 3.58Å; T624-F639 HydrophobicContact CG2-CD2 3.8Å; T624-F639 HydrophobicContact CG2-CE1 4.02Å; T624-F639 HydrophobicContact CG2-CE2 4.22Å; T624-F639 HydrophobicContact CG2-CG 3.45Å; T624-F639 VanDerWaalsContact CG2-CG 3.45Å; T624-F639 HydrophobicContact CG2-CZ 4.32Å; H634-F639 HydrophobicContact CB-CE2 3.92Å; H634-F639 HydrophobicContact CB-CZ 4.2Å; H634-F639 WeakPolarHBondContact O-CE2 3.49Å; T637-F639 HydrophobicContact CG2-CE1 4.27Å; T637-F639 HydrophobicContact CG2-CE2 4.47Å; T637-F639 HydrophobicContact CG2-CZ 4.21Å; F639-W642 WeakPolarHBondContact O-CB 3.36Å; F639-W642 PolarHBondContact O-N 3.11Å; F639-R643 WeakPolarHBondContact O-CG 3.47Å; F639-R643 PolarHBondContact O-N 2.91Å
640	A	96.3	Very high	95.9	Very high	76 Å²	76	60.1 Å²	60.1	63%	0.628	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-46.1	175.1	0	0	0	0	0	111.6	N638	N638-A640 PolarHBondContact O-N 3.09Å; N638-A640 VanDerWaalsContact O-N 3.14Å
641	K	98	Very high	96.4	Very high	94 Å²	94	55.8 Å²	55.8	41%	0.409	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-40.9	171.8	-176.9	176.2	178.1	-178.4	0	111.6	N638 R643 T644 A645 Y649	N638-K641 HydrophobicContact CB-CB 4.18Å; N638-K641 VanDerWaalsContact CG-CB 3.49Å; N638-K641 WeakPolarHBondContact O-CB 3.43Å; N638-K641 PolarHBondContact O-N 2.86Å; N638-K641 WeakPolarHBondContact OD1-CB 3.43Å; N638-K641 PolarHBondContact OD1-N 3.32Å; K641-R643 VanDerWaalsContact C-N 3.26Å; K641-R643 PolarHBondContact O-N 3.34Å; K641-T644 PolarHBondContact O-N 3.2Å; K641-T644 PolarHBondContact O-OG1 3.48Å; K641-A645 WeakPolarHBondContact O-CB 3.32Å; K641-A645 PolarHBondContact O-N 3.42Å; K641-Y649 HydrophobicContact CD-CD1 4.49Å; K641-Y649 HydrophobicContact CD-CD2 3.72Å; K641-Y649 HydrophobicContact CD-CE2 3.82Å; K641-Y649 HydrophobicContact CD-CG 4.06Å; K641-Y649 HydrophobicContact CG-CD2 4.46Å; K641-Y649 HydrophobicContact CG-CE1 4.35Å; K641-Y649 HydrophobicContact CG-CE2 4.23Å
642	W	98.3	Very high	96.8	Very high	1 Å²	1	57 Å²	57	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-39.7	179.1	-173.7	79	0	0	0	112.8	P595 F597 K610 L613 L614 N638 F639 T644 A645 Y649 L698 P699 A701 Y702	P595-W642 HydrophobicContact CG-CG 4.24Å; F597-W642 HydrophobicContact CE1-CZ3 4.33Å; F597-W642 AromaticContact CE2-CH2 3.87Å; F597-W642 HydrophobicContact CE2-CH2 3.87Å; F597-W642 HydrophobicContact CE2-CZ2 4.29Å; F597-W642 HydrophobicContact CE2-CZ3 4.03Å; F597-W642 HydrophobicContact CZ-CD2 4.34Å; F597-W642 AromaticContact CZ-CE3 3.74Å; F597-W642 HydrophobicContact CZ-CE3 3.74Å; F597-W642 AromaticContact CZ-CH2 3.77Å; F597-W642 HydrophobicContact CZ-CH2 3.77Å; F597-W642 HydrophobicContact CZ-CZ2 4.38Å; F597-W642 AromaticContact CZ-CZ3 3.43Å; F597-W642 HydrophobicContact CZ-CZ3 3.43Å; F597-W642 VanDerWaalsContact CZ-CZ3 3.43Å; K610-W642 HydrophobicContact CD-CH2 4.15Å; K610-W642 HydrophobicContact CD-CZ2 4.18Å; K610-W642 WeakPolarHBondContact CE-O 3.49Å; K610-W642 HydrophobicContact CG-CH2 3.82Å; K610-W642 HydrophobicContact CG-CZ2 4.29Å; K610-W642 HydrophobicContact CG-CZ3 4.31Å; K610-W642 PolarHBondContact NZ-O 3.13Å; L613-W642 HydrophobicContact CD2-CH2 3.86Å; L613-W642 HydrophobicContact CD2-CZ3 3.77Å; L614-W642 HydrophobicContact CD2-CZ3 4.08Å; N638-W642 PolarHBondContact O-N 3.16Å; F639-W642 WeakPolarHBondContact O-CB 3.36Å; F639-W642 PolarHBondContact O-N 3.11Å; W642-T644 PolarHBondContact O-N 3.1Å; W642-A645 PolarHBondContact O-N 3.39Å; W642-Y649 WeakPolarHBondContact CA-OH 3.44Å; W642-Y649 VanDerWaalsContact CB-OH 3.24Å; W642-Y649 WeakPolarHBondContact CB-OH 3.32Å; W642-Y649 PolarHBondContact N-OH 2.87Å; W642-L698 PolarHBondContact NE1-O 2.84Å; W642-P699 PolarHBondContact NE1-O 2.99Å; W642-A701 WeakPolarHBondContact CZ2-O 3.38Å; W642-Y702 HydrophobicContact CH2-CD1 4.49Å
643	R	97.5	Very high	97	Very high	87 Å²	87	52.4 Å²	52.4	33%	0.328	29%	0.286	S	S	.	.	H	α-helix	trans	-53.5	-39.6	-178.2	-71.9	-179.6	64.7	103.3	3.8	112.8	L614 D618 F639 K641	L614-R643 HydrophobicContact CD2-CB 3.95Å; L614-R643 HydrophobicContact CD2-CG 3.6Å; D618-R643 IonicContact OD1-CZ 3.85Å; D618-R643 IonicContact OD1-NH1 3.62Å; D618-R643 PolarHBondContact OD1-NH1 3.34Å; D618-R643 IonicContact OD1-NH2 3.31Å; D618-R643 PolarHBondContact OD1-NH2 3.5Å; D618-R643 IonicContact OD2-NH2 2.65Å; D618-R643 PolarHBondContact OD2-NH2 3.49Å; F639-R643 WeakPolarHBondContact O-CG 3.47Å; F639-R643 PolarHBondContact O-N 2.91Å; K641-R643 VanDerWaalsContact C-N 3.26Å; K641-R643 PolarHBondContact O-N 3.34Å
644	T	97.4	Very high	97	Very high	117 Å²	117	57.7 Å²	57.7	72%	0.718	31%	0.311	S	S	*	.	H	α-helix	trans	-105	-11.1	-177.1	57.2	0	0	0	0	114	K641 W642 T646	K641-T644 PolarHBondContact O-N 3.2Å; K641-T644 PolarHBondContact O-OG1 3.48Å; W642-T644 PolarHBondContact O-N 3.1Å; T644-T646 PolarHBondContact O-N 3.1Å
645	A	97.8	Very high	96.8	Very high	14 Å²	14	59.6 Å²	59.6	12%	0.116	33%	0.329	C	S	.	.			trans	-63	134.1	-179.5	0	0	0	0	0	112.4	K610 K641 W642 Y649 P699	K610-A645 PolarHBondContact NZ-O 3.09Å; K641-A645 WeakPolarHBondContact O-CB 3.32Å; K641-A645 PolarHBondContact O-N 3.42Å; W642-A645 PolarHBondContact O-N 3.39Å; A645-Y649 HydrophobicContact CB-CD1 3.89Å; A645-Y649 HydrophobicContact CB-CE1 3.68Å; A645-P699 HydrophobicContact CB-CB 4.05Å; A645-P699 WeakPolarHBondContact O-CB 3.28Å
646	T	96.5	Very high	96.6	Very high	115 Å²	115	58.5 Å²	58.5	71%	0.706	32%	0.315	S	S	*	.			trans	-112.6	-16.9	173	53.9	0	0	0	0	112.5	T644	T644-T646 PolarHBondContact O-N 3.1Å
647	T	97.6	Very high	96.6	Very high	93 Å²	93	58 Å²	58	57%	0.571	31%	0.312	S	S	*	.	S	Bend	trans	-119	151.6	177.2	54.7	0	0	0	0	111.1
648	P	98.4	Very high	96.5	Very high	31 Å²	31	59.7 Å²	59.7	20%	0.201	32%	0.319	C	S	.	.			trans	-56.7	143.6	171.5	-22.2	33.3	0	0	0	111.9	L583 I696 V697 P699	L583-P648 HydrophobicContact CD1-CB 4.39Å; L583-P648 HydrophobicContact CD1-CG 4.49Å; L583-P648 HydrophobicContact CD2-CB 4.08Å; L583-P648 HydrophobicContact CD2-CG 4.19Å; P648-I696 HydrophobicContact CB-CG2 3.64Å; P648-V697 WeakPolarHBondContact CA-O 3.31Å; P648-P699 HydrophobicContact CG-CG 4.46Å
649	Y	98.6	Very high	96.4	Very high	14 Å²	14	56.2 Å²	56.2	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.2	-179.6	61.2	-88.6	0	0	0	112	T637 N638 K641 W642 A645 V651 V697	T637-Y649 PolarHBondContact O-OH 3.38Å; N638-Y649 PolarHBondContact O-OH 3.2Å; K641-Y649 HydrophobicContact CD-CD1 4.49Å; K641-Y649 HydrophobicContact CD-CD2 3.72Å; K641-Y649 HydrophobicContact CD-CE2 3.82Å; K641-Y649 HydrophobicContact CD-CG 4.06Å; K641-Y649 HydrophobicContact CG-CD2 4.46Å; K641-Y649 HydrophobicContact CG-CE1 4.35Å; K641-Y649 HydrophobicContact CG-CE2 4.23Å; W642-Y649 WeakPolarHBondContact CA-OH 3.44Å; W642-Y649 VanDerWaalsContact CB-OH 3.24Å; W642-Y649 WeakPolarHBondContact CB-OH 3.32Å; W642-Y649 PolarHBondContact N-OH 2.87Å; A645-Y649 HydrophobicContact CB-CD1 3.89Å; A645-Y649 HydrophobicContact CB-CE1 3.68Å; Y649-V651 HydrophobicContact CD2-CG1 3.86Å; Y649-V651 HydrophobicContact CE2-CG1 3.71Å; Y649-V697 HydrophobicContact CD1-CB 4.34Å; Y649-V697 HydrophobicContact CD2-CB 4.11Å; Y649-V697 HydrophobicContact CD2-CG2 4.36Å; Y649-V697 HydrophobicContact CE1-CB 3.89Å; Y649-V697 HydrophobicContact CE1-CG1 3.9Å; Y649-V697 HydrophobicContact CE2-CB 3.65Å; Y649-V697 HydrophobicContact CE2-CG1 4.16Å; Y649-V697 HydrophobicContact CE2-CG2 3.79Å; Y649-V697 HydrophobicContact CG-CB 4.45Å; Y649-V697 PolarHBondContact N-O 3.09Å; Y649-V697 PolarHBondContact O-N 3.43Å; Y649-V697 WeakPolarHBondContact OH-CG1 3.35Å
650	R	98.4	Very high	96.5	Very high	122 Å²	122	55 Å²	55	46%	0.46	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.9	175.2	-178.1	172.9	159.2	159.4	-1.7	111.2	E652 E694 F695 I696	R650-E652 IonicContact CZ-OE1 2.9Å; R650-E652 IonicContact NE-OE1 3.33Å; R650-E652 PolarHBondContact NE-OE1 3.35Å; R650-E652 IonicContact NH2-OE1 3.33Å; R650-E652 PolarHBondContact NH2-OE1 3.04Å; R650-E652 IonicContact NH2-OE2 3.43Å; R650-E652 PolarHBondContact NH2-OE2 3.44Å; R650-E694 IonicContact CZ-OE1 3.12Å; R650-E694 IonicContact NH1-OE1 3.44Å; R650-E694 PolarHBondContact NH1-OE1 2.93Å; R650-F695 WeakPolarHBondContact CA-O 3.44Å; R650-I696 HydrophobicContact CB-CD1 3.83Å; R650-I696 HydrophobicContact CG-CD1 4.24Å
651	V	98.3	Very high	96.6	Very high	14 Å²	14	51.5 Å²	51.5	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.9	168.5	-61.2	0	0	0	0	108.9	I593 P636 Y649 F657 F695 V697	I593-V651 HydrophobicContact CD1-CG2 3.71Å; P636-V651 VanDerWaalsContact O-CB 3.31Å; P636-V651 WeakPolarHBondContact O-CB 3.47Å; P636-V651 WeakPolarHBondContact O-CG1 3.34Å; Y649-V651 HydrophobicContact CD2-CG1 3.86Å; Y649-V651 HydrophobicContact CE2-CG1 3.71Å; V651-F657 HydrophobicContact CG2-CE1 4.44Å; V651-F657 HydrophobicContact CG2-CZ 4.4Å; V651-F695 HydrophobicContact CG2-CB 3.83Å; V651-F695 PolarHBondContact N-O 3.23Å; V651-V697 HydrophobicContact CB-CG2 4.48Å; V651-V697 HydrophobicContact CG1-CG2 3.64Å; V651-V697 HydrophobicContact CG2-CG2 3.96Å
652	E	96.3	Very high	96.7	Very high	111 Å²	111	47 Å²	47	52%	0.519	25%	0.247	S	C	.	.			trans	-89	147.9	175.9	-63.1	-57.4	130.9	0	0	109.7	R650	R650-E652 IonicContact CZ-OE1 2.9Å; R650-E652 IonicContact NE-OE1 3.33Å; R650-E652 PolarHBondContact NE-OE1 3.35Å; R650-E652 IonicContact NH2-OE1 3.33Å; R650-E652 PolarHBondContact NH2-OE1 3.04Å; R650-E652 IonicContact NH2-OE2 3.43Å; R650-E652 PolarHBondContact NH2-OE2 3.44Å
653	W	95.3	Very high	96.7	Very high	33 Å²	33	47 Å²	47	13%	0.125	25%	0.247	C	C	.	.			trans	-68	142	173.1	178.7	95.7	0	0	0	110.4	A655 M686 D689 F695 Y749	W653-A655 HydrophobicContact CH2-CB 4.35Å; W653-M686 HydrophobicContact CH2-CE 3.99Å; W653-M686 HydrophobicContact CZ2-CB 4.34Å; W653-M686 HydrophobicContact CZ2-CE 3.69Å; W653-M686 HydrophobicContact CZ2-CG 4.28Å; W653-D689 HydrophobicContact CB-CB 4.08Å; W653-D689 WeakPolarHBondContact CB-OD1 3.45Å; W653-D689 HydrophobicContact CD2-CB 4.45Å; W653-D689 HydrophobicContact CG-CB 3.82Å; W653-D689 VanDerWaalsContact CG-CG 3.45Å; W653-F695 HydrophobicContact CB-CD2 4.28Å; W653-F695 HydrophobicContact CB-CE2 3.94Å; W653-F695 HydrophobicContact CG-CE2 4.46Å; W653-Y749 HydrophobicContact CD2-CE1 4.18Å; W653-Y749 HydrophobicContact CE3-CD1 4.43Å; W653-Y749 AromaticContact CE3-CE1 3.86Å; W653-Y749 HydrophobicContact CE3-CE1 3.86Å; W653-Y749 AromaticContact CH2-CD1 3.43Å; W653-Y749 HydrophobicContact CH2-CD1 3.43Å; W653-Y749 VanDerWaalsContact CH2-CD1 3.43Å; W653-Y749 AromaticContact CH2-CE1 3.55Å; W653-Y749 HydrophobicContact CH2-CE1 3.55Å; W653-Y749 HydrophobicContact CZ2-CD1 4.05Å; W653-Y749 AromaticContact CZ2-CE1 3.87Å; W653-Y749 HydrophobicContact CZ2-CE1 3.87Å; W653-Y749 AromaticContact CZ3-CD1 3.65Å; W653-Y749 HydrophobicContact CZ3-CD1 3.65Å; W653-Y749 AromaticContact CZ3-CE1 3.54Å; W653-Y749 HydrophobicContact CZ3-CE1 3.54Å
654	E	93.8	Very high	96.6	Very high	111 Å²	111	46.4 Å²	46.4	52%	0.519	25%	0.245	S	C	.	.			trans	-131.6	161.8	171.2	-63.1	-178.8	-162.9	0	0	110.2	P636 D656 F657	P636-E654 HydrophobicContact CG-CB 3.73Å; P636-E654 HydrophobicContact CG-CG 3.88Å; E654-D656 PolarHBondContact O-N 3.42Å; E654-F657 WeakPolarHBondContact O-CB 3.44Å; E654-F657 PolarHBondContact O-N 3.28Å; E654-F657 VanDerWaalsContact O-N 3.11Å
655	A	90.8	Very high	96.6	Very high	49 Å²	49	48 Å²	48	41%	0.405	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140	176.9	0	0	0	0	0	111.3	W653 F657	W653-A655 HydrophobicContact CH2-CB 4.35Å; A655-F657 PolarHBondContact O-N 2.83Å
656	D	91.9	Very high	96.4	Very high	31 Å²	31	51.5 Å²	51.5	17%	0.166	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	3.9	-176.9	-56.5	-45.9	0	0	0	116	W630 K632 G633 E654 E658	W630-D656 HydrophobicContact CH2-CB 4.3Å; W630-D656 HydrophobicContact CZ2-CB 3.65Å; K632-D656 HydrophobicContact CB-CB 4.41Å; G633-D656 VanDerWaalsContact CA-O 3.3Å; G633-D656 WeakPolarHBondContact CA-O 3.46Å; E654-D656 PolarHBondContact O-N 3.42Å; D656-E658 PolarHBondContact O-N 3.03Å
657	F	95.5	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.			trans	-61.3	128.1	-178.6	-171.8	-142.2	0	0	0	112.6	I593 G633 P636 V651 E654 A655 P659 I685 F695	I593-F657 HydrophobicContact CD1-CE1 4.01Å; I593-F657 HydrophobicContact CD1-CZ 3.71Å; G633-F657 WeakPolarHBondContact O-CD2 3.41Å; P636-F657 HydrophobicContact CB-CD1 4.28Å; P636-F657 HydrophobicContact CB-CD2 3.8Å; P636-F657 HydrophobicContact CB-CE1 4.17Å; P636-F657 HydrophobicContact CB-CE2 3.71Å; P636-F657 HydrophobicContact CB-CG 4.1Å; P636-F657 HydrophobicContact CB-CZ 3.89Å; P636-F657 HydrophobicContact CG-CB 4.18Å; P636-F657 HydrophobicContact CG-CD1 4.42Å; P636-F657 HydrophobicContact CG-CD2 3.56Å; P636-F657 HydrophobicContact CG-CE2 3.99Å; P636-F657 HydrophobicContact CG-CG 3.82Å; V651-F657 HydrophobicContact CG2-CE1 4.44Å; V651-F657 HydrophobicContact CG2-CZ 4.4Å; E654-F657 WeakPolarHBondContact O-CB 3.44Å; E654-F657 PolarHBondContact O-N 3.28Å; E654-F657 VanDerWaalsContact O-N 3.11Å; A655-F657 PolarHBondContact O-N 2.83Å; F657-P659 HydrophobicContact CD1-CG 4.1Å; F657-P659 HydrophobicContact CD2-CG 4.41Å; F657-P659 HydrophobicContact CE1-CB 4.34Å; F657-P659 HydrophobicContact CE1-CG 3.64Å; F657-P659 HydrophobicContact CE2-CB 3.94Å; F657-P659 HydrophobicContact CE2-CG 3.96Å; F657-P659 HydrophobicContact CG-CG 4.47Å; F657-P659 HydrophobicContact CZ-CB 3.74Å; F657-P659 HydrophobicContact CZ-CG 3.56Å; F657-I685 HydrophobicContact CD1-CG2 4.23Å; F657-F695 HydrophobicContact CE1-CD1 4.49Å; F657-F695 HydrophobicContact CE1-CG 4.45Å
658	E	95.1	Very high	96.4	Very high	37 Å²	37	42.9 Å²	42.9	17%	0.173	20%	0.202	C	C	.	.			trans	-139.5	50.2	-168.6	-154.4	-168.8	153.6	0	0	113.5	G633 H634 D656 K681 V682	G633-E658 PolarHBondContact O-N 2.82Å; H634-E658 PolarHBondContact CE1-O 3.33Å; D656-E658 PolarHBondContact O-N 3.03Å; E658-K681 HydrophobicContact CG-CB 3.6Å; E658-K681 HydrophobicContact CG-CD 3.76Å; E658-K681 HydrophobicContact CG-CG 4.1Å; E658-K681 PolarHBondContact O-NZ 3.35Å; E658-K681 VanDerWaalsContact OE1-CB 3.23Å; E658-K681 WeakPolarHBondContact OE1-CB 3.46Å; E658-K681 WeakPolarHBondContact OE1-CE 3.24Å; E658-K681 IonicContact OE1-NZ 2.91Å; E658-K681 PolarHBondContact OE1-NZ 3.02Å; E658-K681 VanDerWaalsContact OE1-NZ 3.11Å; E658-V682 HydrophobicContact CB-CG2 3.99Å; E658-V682 HydrophobicContact CG-CG2 3.85Å
659	P	96.9	Very high	96.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	22%	0.217	C	C	.	.			trans	-67.8	168.9	-178.6	33.1	-38.7	0	0	0	112.7	I593 F657 V661 I685	I593-P659 HydrophobicContact CB-CB 4.48Å; I593-P659 HydrophobicContact CD1-CB 4.21Å; I593-P659 HydrophobicContact CD1-CG 4.33Å; I593-P659 HydrophobicContact CG1-CB 3.9Å; I593-P659 HydrophobicContact CG1-CG 4.18Å; I593-P659 HydrophobicContact CG2-CB 3.85Å; F657-P659 HydrophobicContact CD1-CG 4.1Å; F657-P659 HydrophobicContact CD2-CG 4.41Å; F657-P659 HydrophobicContact CE1-CB 4.34Å; F657-P659 HydrophobicContact CE1-CG 3.64Å; F657-P659 HydrophobicContact CE2-CB 3.94Å; F657-P659 HydrophobicContact CE2-CG 3.96Å; F657-P659 HydrophobicContact CG-CG 4.47Å; F657-P659 HydrophobicContact CZ-CB 3.74Å; F657-P659 HydrophobicContact CZ-CG 3.56Å; P659-V661 HydrophobicContact CB-CG1 4.17Å; P659-V661 HydrophobicContact CG-CG1 3.83Å; P659-I685 HydrophobicContact CG-CD1 3.96Å; P659-I685 HydrophobicContact CG-CG1 4.36Å; P659-I685 HydrophobicContact CG-CG2 4.32Å
660	Y	98.2	Very high	96.3	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.1	166.1	-61.3	-82.6	0	0	0	108.9	D563 F566 I593 V594 A596 F625 K681 M703	D563-Y660 HydrophobicContact CB-CE1 4.29Å; D563-Y660 PolarHBondContact OD2-OH 2.83Å; F566-Y660 HydrophobicContact CD2-CE1 4.26Å; F566-Y660 AromaticContact CE1-CE2 3.84Å; F566-Y660 HydrophobicContact CE1-CE2 3.84Å; F566-Y660 AromaticContact CE2-CE1 3.95Å; F566-Y660 HydrophobicContact CE2-CE1 3.95Å; F566-Y660 AromaticContact CE2-CE2 3.9Å; F566-Y660 HydrophobicContact CE2-CE2 3.9Å; F566-Y660 AromaticContact CE2-CZ 3.31Å; F566-Y660 WeakPolarHBondContact CE2-OH 3.23Å; F566-Y660 HydrophobicContact CZ-CD2 4.49Å; F566-Y660 HydrophobicContact CZ-CE1 4.35Å; F566-Y660 AromaticContact CZ-CE2 3.44Å; F566-Y660 HydrophobicContact CZ-CE2 3.44Å; F566-Y660 VanDerWaalsContact CZ-CE2 3.44Å; F566-Y660 AromaticContact CZ-CZ 3.36Å; F566-Y660 WeakPolarHBondContact CZ-OH 3.32Å; I593-Y660 WeakPolarHBondContact CA-O 3.45Å; V594-Y660 PolarHBondContact N-O 3.46Å; A596-Y660 HydrophobicContact CB-CD2 3.74Å; A596-Y660 HydrophobicContact CB-CE2 3.79Å; F625-Y660 HydrophobicContact CD1-CE2 4.18Å; F625-Y660 HydrophobicContact CE1-CE2 4.07Å; F625-Y660 WeakPolarHBondContact CE1-OH 3.45Å; Y660-K681 VanDerWaalsContact CE1-NZ 3.3Å; Y660-K681 PolarHBondContact OH-NZ 3.34Å; Y660-M703 HydrophobicContact CD1-SD 4.36Å; Y660-M703 HydrophobicContact CD2-CE 4.1Å; Y660-M703 HydrophobicContact CD2-SD 3.81Å; Y660-M703 HydrophobicContact CE2-SD 4.44Å; Y660-M703 HydrophobicContact CG-CE 3.81Å; Y660-M703 HydrophobicContact CG-SD 3.77Å
661	V	98.5	Very high	96.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.1	-165.6	-62.9	0	0	0	0	112.5	L561 A591 M592 I593 P659 V663 I685 L688	L561-V661 HydrophobicContact CD1-CG2 4.16Å; L561-V661 PolarHBondContact N-O 3.49Å; A591-V661 HydrophobicContact CB-CB 4.26Å; A591-V661 HydrophobicContact CB-CG1 4.21Å; M592-V661 CarbonylContact O-C 3.41Å; M592-V661 VanDerWaalsContact O-CA 3.25Å; M592-V661 WeakPolarHBondContact O-CA 3.46Å; I593-V661 HydrophobicContact CG1-CG1 3.94Å; P659-V661 HydrophobicContact CB-CG1 4.17Å; P659-V661 HydrophobicContact CG-CG1 3.83Å; V661-V663 HydrophobicContact CB-CG1 4.25Å; V661-V663 HydrophobicContact CG2-CG1 3.88Å; V661-I685 HydrophobicContact CG1-CD1 4.14Å; V661-I685 HydrophobicContact CG2-CD1 4.09Å; V661-L688 HydrophobicContact CG2-CD1 4.31Å
662	V	98.8	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.4	162.1	-174	0	0	0	0	108.2	V474 M559 F560 L576 M592 V594	V474-V662 HydrophobicContact CG1-CG1 3.79Å; V474-V662 HydrophobicContact CG2-CG1 4.29Å; M559-V662 VanDerWaalsContact O-CA 3.24Å; M559-V662 WeakPolarHBondContact O-CA 3.44Å; F560-V662 HydrophobicContact CB-CG2 3.93Å; F560-V662 HydrophobicContact CD2-CG2 3.72Å; F560-V662 HydrophobicContact CG-CG2 4.04Å; L576-V662 HydrophobicContact CD1-CG2 3.75Å; L576-V662 HydrophobicContact CD2-CG2 3.75Å; L576-V662 HydrophobicContact CG-CG2 4.31Å; M592-V662 HydrophobicContact CB-CB 4.2Å; M592-V662 HydrophobicContact CE-CB 3.65Å; M592-V662 HydrophobicContact CE-CG1 3.6Å; M592-V662 HydrophobicContact CE-CG2 4.26Å; M592-V662 PolarHBondContact N-O 2.91Å; M592-V662 PolarHBondContact O-N 3.32Å; V594-V662 HydrophobicContact CG2-CG2 4.34Å
663	V	98.3	Very high	96	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.5	-175.8	-70.8	0	0	0	0	110.4	Y558 M559 L561 A591 V661 C667 L688	Y558-V663 WeakPolarHBondContact CA-O 3.46Å; M559-V663 HydrophobicContact CG-CG2 3.89Å; M559-V663 PolarHBondContact N-O 3.09Å; M559-V663 PolarHBondContact O-N 3.4Å; L561-V663 HydrophobicContact CD1-CG2 3.78Å; L561-V663 HydrophobicContact CG-CG2 4.3Å; A591-V663 HydrophobicContact CB-CG1 3.75Å; V661-V663 HydrophobicContact CB-CG1 4.25Å; V661-V663 HydrophobicContact CG2-CG1 3.88Å; V663-C667 HydrophobicContact CB-CB 4.3Å; V663-C667 HydrophobicContact CG2-CB 4.06Å; V663-L688 HydrophobicContact CG1-CD1 4.07Å
664	R	97.4	Very high	96.1	Very high	76 Å²	76	38.7 Å²	38.7	29%	0.287	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	149.9	171.8	-163	172.2	68.4	-176.5	1.4	110.3	Y558 A586 D666 C667	Y558-R664 HydrophobicContact CD1-CB 4.03Å; Y558-R664 HydrophobicContact CD1-CG 4.2Å; Y558-R664 HydrophobicContact CE1-CB 3.99Å; Y558-R664 HydrophobicContact CE1-CG 3.9Å; A586-R664 PolarHBondContact O-NH1 3.21Å; R664-D666 WeakPolarHBondContact CB-OD1 3.32Å; R664-D666 WeakPolarHBondContact CG-OD1 3.47Å; R664-D666 IonicContact CZ-OD1 3.06Å; R664-D666 IonicContact CZ-OD2 3.22Å; R664-D666 VanDerWaalsContact NE-CG 3.28Å; R664-D666 IonicContact NE-OD1 2.74Å; R664-D666 PolarHBondContact NE-OD1 3.48Å; R664-D666 IonicContact NE-OD2 3.33Å; R664-D666 PolarHBondContact NE-OD2 3.41Å; R664-D666 VanDerWaalsContact NE-OD2 3.12Å; R664-D666 IonicContact NH2-OD1 2.74Å; R664-D666 IonicContact NH2-OD2 3.7Å; R664-D666 PolarHBondContact NH2-OD2 3.37Å; R664-D666 PolarHBondContact O-N 3.06Å; R664-D666 VanDerWaalsContact O-N 3.1Å; R664-C667 WeakPolarHBondContact O-CB 3.1Å; R664-C667 PolarHBondContact O-N 2.96Å; R664-C667 VanDerWaalsContact O-N 3.13Å
665	R	96	Very high	96.1	Very high	150 Å²	150	33.7 Å²	33.7	57%	0.566	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.2	-170.9	73.1	174.1	-146.3	147.4	5.8	116.1	I554 T556 P557 M559 C667	I554-R665 HydrophobicContact CD1-CB 3.87Å; T556-R665 WeakPolarHBondContact O-CD 3.39Å; P557-R665 WeakPolarHBondContact O-CB 3.16Å; P557-R665 PolarHBondContact O-N 3.25Å; M559-R665 HydrophobicContact CE-CB 3.9Å; R665-C667 VanDerWaalsContact C-N 3.28Å
666	D	94.5	Very high	96.2	Very high	88 Å²	88	31.7 Å²	31.7	47%	0.471	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12.7	178.7	65.6	-20.5	0	0	0	113.1	R664	R664-D666 WeakPolarHBondContact CB-OD1 3.32Å; R664-D666 WeakPolarHBondContact CG-OD1 3.47Å; R664-D666 IonicContact CZ-OD1 3.06Å; R664-D666 IonicContact CZ-OD2 3.22Å; R664-D666 VanDerWaalsContact NE-CG 3.28Å; R664-D666 IonicContact NE-OD1 2.74Å; R664-D666 PolarHBondContact NE-OD1 3.48Å; R664-D666 IonicContact NE-OD2 3.33Å; R664-D666 PolarHBondContact NE-OD2 3.41Å; R664-D666 VanDerWaalsContact NE-OD2 3.12Å; R664-D666 IonicContact NH2-OD1 2.74Å; R664-D666 IonicContact NH2-OD2 3.7Å; R664-D666 PolarHBondContact NH2-OD2 3.37Å; R664-D666 PolarHBondContact O-N 3.06Å; R664-D666 VanDerWaalsContact O-N 3.1Å
667	C	96.2	Very high	96.3	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.068	15%	0.151	C	C	.	.	S	Bend	trans	-59.8	155.3	169.7	70.4	0	0	0	0	111.4	M551 V663 R664 R665 L688	M551-C667 VanDerWaalsContact CE-SG 3.6Å; V663-C667 HydrophobicContact CB-CB 4.3Å; V663-C667 HydrophobicContact CG2-CB 4.06Å; R664-C667 WeakPolarHBondContact O-CB 3.1Å; R664-C667 PolarHBondContact O-N 2.96Å; R664-C667 VanDerWaalsContact O-N 3.13Å; R665-C667 VanDerWaalsContact C-N 3.28Å; C667-L688 HydrophobicContact CB-CD2 4.07Å
668	P	96.7	Very high	96.2	Very high	17 Å²	17	34.4 Å²	34.4	11%	0.11	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-56	146.7	175.1	24.2	-35.6	0	0	0	112.3	H684 E687 L688	P668-H684 PolarHBondContact O-CD2 2.94Å; P668-H684 PolarHBondContact O-NE2 3.09Å; P668-E687 HydrophobicContact CB-CG 4.05Å; P668-E687 HydrophobicContact CG-CB 4.37Å; P668-E687 HydrophobicContact CG-CG 3.96Å; P668-L688 HydrophobicContact CG-CD2 3.83Å
669	E	97.1	Very high	96.1	Very high	112 Å²	112	34.3 Å²	34.3	52%	0.523	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-67.6	158.6	169.5	-71.5	-167.2	167.6	0	0	111.3
670	Y	97.9	Very high	96	Very high	6 Å²	6	35.1 Å²	35.1	2%	0.024	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-69.1	133.2	170.8	-71.9	-99	0	0	0	110.9	N544 R547 N548 M551 L561 R672 K681 H684	N544-Y670 VanDerWaalsContact CG-CB 3.48Å; N544-Y670 WeakPolarHBondContact OD1-CD1 3.32Å; R547-Y670 HydrophobicContact CB-CD2 3.65Å; R547-Y670 HydrophobicContact CB-CE2 3.87Å; R547-Y670 HydrophobicContact CB-CG 4.21Å; R547-Y670 HydrophobicContact CG-CD2 4.42Å; R547-Y670 HydrophobicContact CG-CE2 4.31Å; N548-Y670 PolarHBondContact ND2-O 3.27Å; N548-Y670 WeakPolarHBondContact OD1-CB 3.36Å; N548-Y670 PolarHBondContact OD1-N 3.17Å; M551-Y670 HydrophobicContact CE-CD2 4.49Å; M551-Y670 HydrophobicContact CE-CE2 4.44Å; M551-Y670 HydrophobicContact SD-CD2 3.48Å; M551-Y670 WeakPolarHBondContact SD-CD2 3.39Å; M551-Y670 HydrophobicContact SD-CE2 3.45Å; M551-Y670 WeakPolarHBondContact SD-CE2 3.17Å; L561-Y670 HydrophobicContact CD1-CE2 4.28Å; L561-Y670 HydrophobicContact CD2-CE2 4.35Å; Y670-R672 PolarHBondContact O-N 3.04Å; Y670-K681 HydrophobicContact CE1-CB 4.4Å; Y670-K681 HydrophobicContact CE1-CG 4Å; Y670-H684 HydrophobicContact CD1-CB 3.49Å; Y670-H684 VanDerWaalsContact CD1-CB 3.49Å; Y670-H684 AromaticContact CD1-CG 3.78Å; Y670-H684 HydrophobicContact CE1-CB 3.45Å; Y670-H684 VanDerWaalsContact CE1-CB 3.45Å; Y670-H684 AromaticContact CE1-CG 3.55Å; Y670-H684 AromaticContact CE1-ND1 3.83Å; Y670-H684 HydrophobicContact CG-CB 4.21Å; Y670-H684 AromaticContact CZ-CG 3.74Å; Y670-H684 AromaticContact CZ-ND1 3.63Å
671	D	97.3	Very high	95.8	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.123	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-66.9	118.7	179.9	-168.6	-49.1	0	0	0	111.2	N544 R673 F674 F734	N544-D671 PolarHBondContact ND2-O 2.79Å; D671-R673 VanDerWaalsContact CG-NE 3.26Å; D671-R673 PolarHBondContact O-N 3.07Å; D671-R673 VanDerWaalsContact OD1-CB 3.31Å; D671-R673 WeakPolarHBondContact OD1-CB 3.45Å; D671-R673 WeakPolarHBondContact OD1-CG 3.16Å; D671-R673 IonicContact OD1-CZ 2.6Å; D671-R673 PolarHBondContact OD1-N 2.85Å; D671-R673 IonicContact OD1-NE 3.93Å; D671-R673 PolarHBondContact OD1-NE 2.92Å; D671-R673 IonicContact OD2-CZ 3.3Å; D671-R673 IonicContact OD2-NE 2.71Å; D671-R673 PolarHBondContact OD2-NE 3.15Å; D671-R673 IonicContact OD2-NH2 3.64Å; D671-R673 PolarHBondContact OD2-NH2 3.27Å; D671-F674 HydrophobicContact CB-CD2 4.23Å; D671-F674 HydrophobicContact CB-CE2 4.42Å; D671-F674 PolarHBondContact O-N 3.35Å; D671-F734 HydrophobicContact CB-CD2 4.22Å; D671-F734 HydrophobicContact CB-CE2 3.96Å; D671-F734 WeakPolarHBondContact OD2-CD2 3.4Å
672	R	95.9	Very high	95.7	Very high	85 Å²	85	35.2 Å²	35.2	32%	0.321	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.5	-174.4	-69.1	178.1	58.6	-177.2	-0.8	114.4	R450 T452 Y670 F674	R450-R672 HydrophobicContact CG-CB 4.36Å; R450-R672 PolarHBondContact O-NH2 2.94Å; T452-R672 PolarHBondContact O-NH2 2.83Å; Y670-R672 PolarHBondContact O-N 3.04Å; R672-F674 PolarHBondContact O-N 3.37Å
673	R	95.1	Very high	95.6	Very high	10 Å²	10	35.3 Å²	35.3	4%	0.038	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.2	173.8	82.1	-173.8	68.8	-166.1	0.9	112.6	D671 V675 D737	D671-R673 VanDerWaalsContact CG-NE 3.26Å; D671-R673 PolarHBondContact O-N 3.07Å; D671-R673 VanDerWaalsContact OD1-CB 3.31Å; D671-R673 WeakPolarHBondContact OD1-CB 3.45Å; D671-R673 WeakPolarHBondContact OD1-CG 3.16Å; D671-R673 IonicContact OD1-CZ 2.6Å; D671-R673 PolarHBondContact OD1-N 2.85Å; D671-R673 IonicContact OD1-NE 3.93Å; D671-R673 PolarHBondContact OD1-NE 2.92Å; D671-R673 IonicContact OD2-CZ 3.3Å; D671-R673 IonicContact OD2-NE 2.71Å; D671-R673 PolarHBondContact OD2-NE 3.15Å; D671-R673 IonicContact OD2-NH2 3.64Å; D671-R673 PolarHBondContact OD2-NH2 3.27Å; R673-V675 PolarHBondContact O-N 3.32Å; R673-D737 IonicContact CZ-OD2 3.52Å; R673-D737 IonicContact NH1-OD2 2.67Å; R673-D737 PolarHBondContact NH1-OD2 3.34Å; R673-D737 IonicContact NH2-OD2 2.86Å; R673-D737 PolarHBondContact NH2-OD2 3.36Å
674	F	96.3	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.			trans	-91.5	95.2	179.3	-58.4	-68.5	0	0	0	110.4	D671 R672 W679 N680 A683 L727 L730 F734	D671-F674 HydrophobicContact CB-CD2 4.23Å; D671-F674 HydrophobicContact CB-CE2 4.42Å; D671-F674 PolarHBondContact O-N 3.35Å; R672-F674 PolarHBondContact O-N 3.37Å; F674-W679 HydrophobicContact CD1-CB 3.63Å; F674-W679 HydrophobicContact CE1-CB 3.66Å; F674-W679 HydrophobicContact CE1-CE3 4.42Å; F674-W679 HydrophobicContact CE1-CG 4.39Å; F674-W679 HydrophobicContact CG-CB 4.25Å; F674-W679 HydrophobicContact CZ-CB 4.29Å; F674-W679 HydrophobicContact CZ-CE3 4.11Å; F674-N680 HydrophobicContact CB-CB 4.37Å; F674-A683 HydrophobicContact CD2-CB 3.75Å; F674-A683 HydrophobicContact CE2-CB 3.45Å; F674-A683 VanDerWaalsContact CE2-CB 3.45Å; F674-A683 HydrophobicContact CZ-CB 4.31Å; F674-L727 HydrophobicContact CD1-CD1 4.01Å; F674-L727 HydrophobicContact CE1-CD1 4.44Å; F674-L730 HydrophobicContact CE1-CB 4.03Å; F674-F734 HydrophobicContact CE2-CB 4.06Å; F674-F734 AromaticContact CE2-CD2 3.96Å; F674-F734 HydrophobicContact CE2-CD2 3.96Å; F674-F734 AromaticContact CE2-CG 3.93Å; F674-F734 HydrophobicContact CE2-CG 3.93Å; F674-F734 HydrophobicContact CZ-CB 3.8Å; F674-F734 HydrophobicContact CZ-CG 4.11Å
675	V	94.4	Very high	95.6	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.042	15%	0.148	C	C	.	.			trans	-104.1	153.1	174.2	-61.2	0	0	0	0	111.2	F446 E449 F540 R673 Y723	F446-V675 HydrophobicContact CD1-CG2 3.54Å; F446-V675 HydrophobicContact CE1-CG2 3.93Å; F446-V675 HydrophobicContact CG-CG2 4.22Å; E449-V675 HydrophobicContact CB-CG1 4.06Å; E449-V675 HydrophobicContact CB-CG2 4.32Å; F540-V675 HydrophobicContact CB-CB 3.98Å; F540-V675 HydrophobicContact CB-CG2 3.86Å; F540-V675 HydrophobicContact CD1-CG2 4.31Å; F540-V675 HydrophobicContact CD2-CG2 4.09Å; F540-V675 HydrophobicContact CG-CB 4.48Å; F540-V675 HydrophobicContact CG-CG2 3.82Å; R673-V675 PolarHBondContact O-N 3.32Å; V675-Y723 PolarHBondContact O-OH 3.44Å
676	G	93.1	Very high	95.6	Very high	6 Å²	6	24.8 Å²	24.8	6%	0.062	12%	0.122	C	C	.	.	S	Bend	trans	66.6	-132.6	-176.8	0	0	0	0	0	113.4	Y541	Y541-G676 WeakPolarHBondContact O-CA 3.46Å; Y541-G676 PolarHBondContact O-N 3.4Å
677	F	92.7	Very high	95.7	Very high	75 Å²	75	21.2 Å²	21.2	33%	0.329	10%	0.102	S	C	.	.	S	Bend	trans	-99.4	131.2	-173	-178.3	-90.2	0	0	0	113.4	D713 I714 F717 Y723	F677-D713 HydrophobicContact CB-CB 3.99Å; F677-I714 HydrophobicContact CD1-CG1 4.47Å; F677-I714 HydrophobicContact CD2-CB 3.85Å; F677-I714 HydrophobicContact CD2-CD1 4.35Å; F677-I714 HydrophobicContact CD2-CG1 4.09Å; F677-I714 HydrophobicContact CE1-CG1 4.35Å; F677-I714 HydrophobicContact CE2-CB 4.19Å; F677-I714 HydrophobicContact CE2-CD1 3.8Å; F677-I714 HydrophobicContact CE2-CG1 3.96Å; F677-I714 HydrophobicContact CG-CB 4.11Å; F677-I714 HydrophobicContact CG-CG1 4.35Å; F677-I714 HydrophobicContact CZ-CD1 4Å; F677-I714 HydrophobicContact CZ-CG1 4.1Å; F677-F717 HydrophobicContact CB-CB 4.41Å; F677-F717 HydrophobicContact CD1-CB 3.85Å; F677-F717 AromaticContact CD1-CD1 3.83Å; F677-F717 HydrophobicContact CD1-CD1 3.83Å; F677-F717 HydrophobicContact CD1-CD2 4.06Å; F677-F717 HydrophobicContact CD1-CE1 4.42Å; F677-F717 AromaticContact CD1-CG 3.63Å; F677-F717 HydrophobicContact CD1-CG 3.63Å; F677-F717 AromaticContact CE1-CD1 3.84Å; F677-F717 HydrophobicContact CE1-CD1 3.84Å; F677-F717 HydrophobicContact CE1-CE1 4.09Å; F677-F717 HydrophobicContact CE1-CG 4.12Å; F677-F717 HydrophobicContact CG-CB 4.47Å; F677-Y723 PolarHBondContact N-OH 3.27Å; F677-Y723 WeakPolarHBondContact O-CE1 3.41Å; F677-Y723 PolarHBondContact O-OH 3.43Å
678	G	92.9	Very high	95.8	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	10%	0.099	C	C	.	.	S	Bend	trans	101.2	148.2	170.3	0	0	0	0	0	113.5	N680	G678-N680 PolarHBondContact O-N 2.9Å
679	W	94.2	Very high	95.8	Very high	34 Å²	34	20.7 Å²	20.7	13%	0.129	10%	0.098	C	C	.	.	S	Bend	trans	54.6	1.2	178.9	-88.9	70	0	0	0	117.6	F674 V682 A683 M686 L727 K731	F674-W679 HydrophobicContact CD1-CB 3.63Å; F674-W679 HydrophobicContact CE1-CB 3.66Å; F674-W679 HydrophobicContact CE1-CE3 4.42Å; F674-W679 HydrophobicContact CE1-CG 4.39Å; F674-W679 HydrophobicContact CG-CB 4.25Å; F674-W679 HydrophobicContact CZ-CB 4.29Å; F674-W679 HydrophobicContact CZ-CE3 4.11Å; W679-V682 HydrophobicContact CD2-CG1 4.48Å; W679-V682 HydrophobicContact CE3-CG1 4.47Å; W679-V682 HydrophobicContact CH2-CG1 4.27Å; W679-V682 HydrophobicContact CZ2-CG1 4.25Å; W679-V682 HydrophobicContact CZ3-CG1 4.39Å; W679-A683 HydrophobicContact CE3-CB 4.44Å; W679-A683 WeakPolarHBondContact O-CB 3.34Å; W679-A683 PolarHBondContact O-N 3.34Å; W679-A683 VanDerWaalsContact O-N 3.14Å; W679-M686 HydrophobicContact CH2-CE 3.75Å; W679-M686 HydrophobicContact CZ3-CE 4Å; W679-L727 HydrophobicContact CB-CD1 3.98Å; W679-L727 HydrophobicContact CB-CG 4.45Å; W679-K731 HydrophobicContact CD2-CB 3.95Å; W679-K731 HydrophobicContact CD2-CD 4.05Å; W679-K731 HydrophobicContact CD2-CG 3.87Å; W679-K731 VanDerWaalsContact CE2-CD 3.41Å; W679-K731 HydrophobicContact CE3-CB 3.99Å; W679-K731 HydrophobicContact CE3-CD 4.4Å; W679-K731 HydrophobicContact CE3-CG 3.79Å; W679-K731 HydrophobicContact CH2-CD 3.67Å; W679-K731 HydrophobicContact CH2-CG 3.54Å; W679-K731 HydrophobicContact CZ2-CD 3.25Å; W679-K731 HydrophobicContact CZ2-CG 3.63Å; W679-K731 HydrophobicContact CZ3-CB 4.29Å; W679-K731 HydrophobicContact CZ3-CD 4.23Å; W679-K731 HydrophobicContact CZ3-CG 3.62Å
680	N	93.8	Very high	95.8	Very high	19 Å²	19	15.6 Å²	15.6	10%	0.102	7%	0.074	C	C	.	.	H	α-helix	trans	-64.5	-60.8	-177	57.9	64.3	0	0	0	113	V543 N544 R547 F674 G678	V543-N680 HydrophobicContact CG1-CB 3.74Å; N544-N680 WeakPolarHBondContact OD1-CB 3.31Å; R547-N680 PolarHBondContact NH1-OD1 3.37Å; F674-N680 HydrophobicContact CB-CB 4.37Å; G678-N680 PolarHBondContact O-N 2.9Å
681	K	94.4	Very high	95.6	Very high	5 Å²	5	17.1 Å²	17.1	2%	0.022	8%	0.082	C	C	.	.	H	α-helix	trans	-81.7	-31.4	-179.2	-152	-159.4	-40.5	153.7	0	111.8	E658 Y660 Y670 A683 H684 I685	E658-K681 HydrophobicContact CG-CB 3.6Å; E658-K681 HydrophobicContact CG-CD 3.76Å; E658-K681 HydrophobicContact CG-CG 4.1Å; E658-K681 PolarHBondContact O-NZ 3.35Å; E658-K681 VanDerWaalsContact OE1-CB 3.23Å; E658-K681 WeakPolarHBondContact OE1-CB 3.46Å; E658-K681 WeakPolarHBondContact OE1-CE 3.24Å; E658-K681 IonicContact OE1-NZ 2.91Å; E658-K681 PolarHBondContact OE1-NZ 3.02Å; E658-K681 VanDerWaalsContact OE1-NZ 3.11Å; Y660-K681 VanDerWaalsContact CE1-NZ 3.3Å; Y660-K681 PolarHBondContact OH-NZ 3.34Å; Y670-K681 HydrophobicContact CE1-CB 4.4Å; Y670-K681 HydrophobicContact CE1-CG 4Å; K681-A683 VanDerWaalsContact C-N 3.32Å; K681-A683 PolarHBondContact O-N 2.92Å; K681-H684 WeakPolarHBondContact O-CB 3.05Å; K681-H684 PolarHBondContact O-N 3.28Å; K681-H684 VanDerWaalsContact O-N 3.14Å; K681-I685 WeakPolarHBondContact O-CG1 3.36Å; K681-I685 PolarHBondContact O-N 3.47Å
682	V	96.3	Very high	95.6	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-56.9	-45	175.1	176.8	0	0	0	0	111.3	E658 W679 H684 I685 M686	E658-V682 HydrophobicContact CB-CG2 3.99Å; E658-V682 HydrophobicContact CG-CG2 3.85Å; W679-V682 HydrophobicContact CD2-CG1 4.48Å; W679-V682 HydrophobicContact CE3-CG1 4.47Å; W679-V682 HydrophobicContact CH2-CG1 4.27Å; W679-V682 HydrophobicContact CZ2-CG1 4.25Å; W679-V682 HydrophobicContact CZ3-CG1 4.39Å; V682-H684 VanDerWaalsContact C-N 3.34Å; V682-H684 PolarHBondContact O-N 3.27Å; V682-I685 PolarHBondContact O-N 3.03Å; V682-M686 WeakPolarHBondContact O-CB 3.47Å; V682-M686 PolarHBondContact O-N 3.06Å
683	A	97.1	Very high	95.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-40.8	177	0	0	0	0	0	112.3	F674 W679 K681 M686 E687 F734	F674-A683 HydrophobicContact CD2-CB 3.75Å; F674-A683 HydrophobicContact CE2-CB 3.45Å; F674-A683 VanDerWaalsContact CE2-CB 3.45Å; F674-A683 HydrophobicContact CZ-CB 4.31Å; W679-A683 HydrophobicContact CE3-CB 4.44Å; W679-A683 WeakPolarHBondContact O-CB 3.34Å; W679-A683 PolarHBondContact O-N 3.34Å; W679-A683 VanDerWaalsContact O-N 3.14Å; K681-A683 VanDerWaalsContact C-N 3.32Å; K681-A683 PolarHBondContact O-N 2.92Å; A683-M686 PolarHBondContact O-N 3.22Å; A683-E687 PolarHBondContact O-N 2.96Å; A683-F734 HydrophobicContact CB-CD1 4.27Å; A683-F734 HydrophobicContact CB-CE1 3.86Å; A683-F734 HydrophobicContact CB-CE2 4.2Å; A683-F734 HydrophobicContact CB-CZ 3.82Å; A683-F734 WeakPolarHBondContact O-CZ 3.3Å
684	H	97.8	Very high	95.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-45.3	177.2	-177.3	-104.6	0	0	0	112.4	P668 Y670 K681 V682 M686 E687 L688	P668-H684 PolarHBondContact O-CD2 2.94Å; P668-H684 PolarHBondContact O-NE2 3.09Å; Y670-H684 HydrophobicContact CD1-CB 3.49Å; Y670-H684 VanDerWaalsContact CD1-CB 3.49Å; Y670-H684 AromaticContact CD1-CG 3.78Å; Y670-H684 HydrophobicContact CE1-CB 3.45Å; Y670-H684 VanDerWaalsContact CE1-CB 3.45Å; Y670-H684 AromaticContact CE1-CG 3.55Å; Y670-H684 AromaticContact CE1-ND1 3.83Å; Y670-H684 HydrophobicContact CG-CB 4.21Å; Y670-H684 AromaticContact CZ-CG 3.74Å; Y670-H684 AromaticContact CZ-ND1 3.63Å; K681-H684 WeakPolarHBondContact O-CB 3.05Å; K681-H684 PolarHBondContact O-N 3.28Å; K681-H684 VanDerWaalsContact O-N 3.14Å; V682-H684 VanDerWaalsContact C-N 3.34Å; V682-H684 PolarHBondContact O-N 3.27Å; H684-M686 VanDerWaalsContact C-N 3.34Å; H684-M686 PolarHBondContact O-N 2.98Å; H684-E687 PolarHBondContact O-N 2.78Å; H684-E687 VanDerWaalsContact O-N 3.13Å; H684-L688 PolarHBondContact O-N 2.88Å
685	I	97.8	Very high	95.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-38.1	177.6	-61.7	-64.5	0	0	0	111.3	F657 P659 V661 K681 V682 E687 L688 D689 F695	F657-I685 HydrophobicContact CD1-CG2 4.23Å; P659-I685 HydrophobicContact CG-CD1 3.96Å; P659-I685 HydrophobicContact CG-CG1 4.36Å; P659-I685 HydrophobicContact CG-CG2 4.32Å; V661-I685 HydrophobicContact CG1-CD1 4.14Å; V661-I685 HydrophobicContact CG2-CD1 4.09Å; K681-I685 WeakPolarHBondContact O-CG1 3.36Å; K681-I685 PolarHBondContact O-N 3.47Å; V682-I685 PolarHBondContact O-N 3.03Å; I685-E687 VanDerWaalsContact C-N 3.3Å; I685-E687 PolarHBondContact O-N 2.85Å; I685-L688 HydrophobicContact CD1-CD1 4.14Å; I685-L688 PolarHBondContact O-N 3.48Å; I685-D689 PolarHBondContact O-N 3.14Å; I685-F695 HydrophobicContact CG2-CE1 3.96Å; I685-F695 HydrophobicContact CG2-CZ 4.01Å
686	M	97	Very high	96.1	Very high	3 Å²	3	23 Å²	23	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-39.9	172	-178.7	-179.4	-69.5	0	0	111.6	W653 W679 V682 A683 H684 D689 V690 F734 Q735 Y749	W653-M686 HydrophobicContact CH2-CE 3.99Å; W653-M686 HydrophobicContact CZ2-CB 4.34Å; W653-M686 HydrophobicContact CZ2-CE 3.69Å; W653-M686 HydrophobicContact CZ2-CG 4.28Å; W679-M686 HydrophobicContact CH2-CE 3.75Å; W679-M686 HydrophobicContact CZ3-CE 4Å; V682-M686 WeakPolarHBondContact O-CB 3.47Å; V682-M686 PolarHBondContact O-N 3.06Å; A683-M686 PolarHBondContact O-N 3.22Å; H684-M686 VanDerWaalsContact C-N 3.34Å; H684-M686 PolarHBondContact O-N 2.98Å; M686-D689 PolarHBondContact O-N 2.91Å; M686-V690 PolarHBondContact O-N 3.3Å; M686-F734 HydrophobicContact CB-CE1 4.48Å; M686-F734 HydrophobicContact CG-CE1 4.4Å; M686-F734 HydrophobicContact SD-CD1 4.25Å; M686-F734 HydrophobicContact SD-CE1 3.83Å; M686-Q735 HydrophobicContact SD-CG 4.19Å; M686-Y749 HydrophobicContact CE-CD1 4.04Å; M686-Y749 HydrophobicContact CE-CG 4.32Å; M686-Y749 HydrophobicContact CG-CD1 3.96Å; M686-Y749 HydrophobicContact CG-CD2 4.19Å; M686-Y749 HydrophobicContact CG-CE1 3.79Å; M686-Y749 HydrophobicContact CG-CE2 4.04Å; M686-Y749 HydrophobicContact CG-CG 4.16Å; M686-Y749 PolarHBondContact O-OH 3.46Å; M686-Y749 HydrophobicContact SD-CD1 4.09Å; M686-Y749 HydrophobicContact SD-CD2 4.23Å; M686-Y749 HydrophobicContact SD-CG 3.93Å
687	E	96.9	Very high	96.4	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-71	-31.4	176.8	-168.6	161.9	-167	0	0	112.8	P668 A683 H684 I685 V690 Q691 F734 M738 R741 Y742	P668-E687 HydrophobicContact CB-CG 4.05Å; P668-E687 HydrophobicContact CG-CB 4.37Å; P668-E687 HydrophobicContact CG-CG 3.96Å; A683-E687 PolarHBondContact O-N 2.96Å; H684-E687 PolarHBondContact O-N 2.78Å; H684-E687 VanDerWaalsContact O-N 3.13Å; I685-E687 VanDerWaalsContact C-N 3.3Å; I685-E687 PolarHBondContact O-N 2.85Å; E687-V690 HydrophobicContact CG-CG1 4.32Å; E687-V690 WeakPolarHBondContact O-CG1 3.34Å; E687-Q691 WeakPolarHBondContact O-CB 3.42Å; E687-Q691 VanDerWaalsContact O-CG 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.39Å; E687-Q691 PolarHBondContact O-N 3.18Å; E687-F734 HydrophobicContact CB-CZ 4.44Å; E687-M738 HydrophobicContact CB-SD 4.17Å; E687-M738 HydrophobicContact CG-CE 4.36Å; E687-M738 HydrophobicContact CG-SD 4.01Å; E687-R741 IonicContact OE1-NH1 3.51Å; E687-R741 PolarHBondContact OE1-NH1 3.16Å; E687-Y742 HydrophobicContact CG-CE2 4.28Å; E687-Y742 PolarHBondContact OE1-OH 3.45Å
688	L	97.4	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-45.3	169.2	-66.3	179.5	0	0	0	111.3	A591 V661 V663 C667 P668 H684 I685 Q691 E692 Y693 F695	A591-L688 HydrophobicContact CB-CD1 4.5Å; V661-L688 HydrophobicContact CG2-CD1 4.31Å; V663-L688 HydrophobicContact CG1-CD1 4.07Å; C667-L688 HydrophobicContact CB-CD2 4.07Å; P668-L688 HydrophobicContact CG-CD2 3.83Å; H684-L688 PolarHBondContact O-N 2.88Å; I685-L688 HydrophobicContact CD1-CD1 4.14Å; I685-L688 PolarHBondContact O-N 3.48Å; L688-Q691 CarbonylContact O-C 3.56Å; L688-Q691 PolarHBondContact O-N 2.74Å; L688-E692 PolarHBondContact O-N 2.71Å; L688-Y693 HydrophobicContact CB-CD2 4.28Å; L688-Y693 HydrophobicContact CB-CG 4.21Å; L688-Y693 HydrophobicContact CD2-CD1 4.35Å; L688-Y693 HydrophobicContact CD2-CD2 4.07Å; L688-Y693 HydrophobicContact CD2-CE1 4.3Å; L688-Y693 HydrophobicContact CD2-CE2 4Å; L688-Y693 HydrophobicContact CD2-CG 4.25Å; L688-Y693 WeakPolarHBondContact O-CB 3.4Å; L688-Y693 VanDerWaalsContact O-CD2 3.27Å; L688-Y693 WeakPolarHBondContact O-CD2 3.38Å; L688-Y693 PolarHBondContact O-N 2.94Å; L688-F695 HydrophobicContact CB-CE1 4.39Å; L688-F695 HydrophobicContact CB-CZ 4.15Å
689	D	96.9	Very high	96.9	Very high	15 Å²	15	18.6 Å²	18.6	8%	0.08	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-43.2	179.5	179.1	50	0	0	0	112	W653 I685 M686 Q691 E692 F695 K748 Y749	W653-D689 HydrophobicContact CB-CB 4.08Å; W653-D689 WeakPolarHBondContact CB-OD1 3.45Å; W653-D689 HydrophobicContact CD2-CB 4.45Å; W653-D689 HydrophobicContact CG-CB 3.82Å; W653-D689 VanDerWaalsContact CG-CG 3.45Å; I685-D689 PolarHBondContact O-N 3.14Å; M686-D689 PolarHBondContact O-N 2.91Å; D689-Q691 PolarHBondContact O-N 3.22Å; D689-E692 WeakPolarHBondContact O-CA 3.44Å; D689-E692 PolarHBondContact O-N 2.87Å; D689-F695 HydrophobicContact CB-CE2 3.67Å; D689-F695 HydrophobicContact CB-CZ 3.86Å; D689-K748 IonicContact OD1-NZ 3.5Å; D689-K748 PolarHBondContact OD1-NZ 3.17Å; D689-K748 WeakPolarHBondContact OD2-CE 3.3Å; D689-K748 IonicContact OD2-NZ 2.62Å; D689-K748 PolarHBondContact OD2-NZ 3Å; D689-Y749 VanDerWaalsContact CG-OH 3.23Å; D689-Y749 WeakPolarHBondContact OD2-CE1 3.26Å; D689-Y749 PolarHBondContact OD2-OH 3Å
690	V	95.8	Very high	97	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-68.2	-25.9	178.2	83	0	0	0	0	112.6	M686 E687 E692 M738 Y742 A745 A746 Y749	M686-V690 PolarHBondContact O-N 3.3Å; E687-V690 HydrophobicContact CG-CG1 4.32Å; E687-V690 WeakPolarHBondContact O-CG1 3.34Å; V690-E692 PolarHBondContact O-N 2.76Å; V690-M738 HydrophobicContact CG1-SD 4.03Å; V690-Y742 HydrophobicContact CB-CD2 4.34Å; V690-Y742 HydrophobicContact CB-CG 4.49Å; V690-Y742 HydrophobicContact CG1-CD1 4.27Å; V690-Y742 HydrophobicContact CG1-CD2 3.37Å; V690-Y742 HydrophobicContact CG1-CE1 4.39Å; V690-Y742 HydrophobicContact CG1-CE2 3.52Å; V690-Y742 HydrophobicContact CG1-CG 3.77Å; V690-Y742 HydrophobicContact CG2-CD2 3.94Å; V690-Y742 HydrophobicContact CG2-CG 3.84Å; V690-A745 HydrophobicContact CG2-CB 4Å; V690-A746 HydrophobicContact CG2-CB 3.78Å; V690-Y749 WeakPolarHBondContact CA-OH 3.32Å; V690-Y749 HydrophobicContact CB-CE2 3.74Å; V690-Y749 HydrophobicContact CG2-CE2 3.73Å; V690-Y749 PolarHBondContact N-OH 3.26Å; V690-Y749 VanDerWaalsContact N-OH 3.1Å
691	Q	95.6	Very high	97.2	Very high	38 Å²	38	19.4 Å²	19.4	18%	0.178	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	11.5	172	-70.9	-171.1	27.3	0	0	113.4	K589 E687 L688 D689 Y693 Y742	K589-Q691 VanDerWaalsContact CD-O 3.25Å; K589-Q691 WeakPolarHBondContact CD-O 3.45Å; K589-Q691 PolarHBondContact NZ-O 3.39Å; E687-Q691 WeakPolarHBondContact O-CB 3.42Å; E687-Q691 VanDerWaalsContact O-CG 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.39Å; E687-Q691 PolarHBondContact O-N 3.18Å; L688-Q691 CarbonylContact O-C 3.56Å; L688-Q691 PolarHBondContact O-N 2.74Å; D689-Q691 PolarHBondContact O-N 3.22Å; Q691-Y693 HydrophobicContact CB-CD2 3.97Å; Q691-Y693 HydrophobicContact CB-CE2 4.07Å; Q691-Y742 HydrophobicContact CG-CE1 3.76Å; Q691-Y742 PolarHBondContact NE2-OH 3.38Å
692	E	95.4	Very high	97.4	Very high	153 Å²	153	19.3 Å²	19.3	72%	0.715	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	32.3	175.9	-51.6	-177.9	144.1	0	0	113.9	L688 D689 V690	L688-E692 PolarHBondContact O-N 2.71Å; D689-E692 WeakPolarHBondContact O-CA 3.44Å; D689-E692 PolarHBondContact O-N 2.87Å; V690-E692 PolarHBondContact O-N 2.76Å
693	Y	97.7	Very high	97.5	Very high	13 Å²	13	19.2 Å²	19.2	5%	0.051	9%	0.093	C	C	.	.			trans	-69.5	133.3	169.8	-80.8	-109.5	0	0	0	111	K589 A591 L688 Q691	K589-Y693 HydrophobicContact CB-CD1 4.08Å; K589-Y693 HydrophobicContact CB-CD2 4.14Å; K589-Y693 HydrophobicContact CB-CE1 4.24Å; K589-Y693 HydrophobicContact CB-CE2 4.31Å; K589-Y693 HydrophobicContact CB-CG 4.03Å; K589-Y693 HydrophobicContact CD-CD2 4.06Å; K589-Y693 HydrophobicContact CD-CE2 3.88Å; K589-Y693 HydrophobicContact CG-CD2 4.48Å; K589-Y693 HydrophobicContact CG-CE2 4.24Å; K589-Y693 CarbonylContact O-C 3.48Å; K589-Y693 WeakPolarHBondContact O-CA 3.4Å; A591-Y693 HydrophobicContact CB-CD1 4.38Å; L688-Y693 HydrophobicContact CB-CD2 4.28Å; L688-Y693 HydrophobicContact CB-CG 4.21Å; L688-Y693 HydrophobicContact CD2-CD1 4.35Å; L688-Y693 HydrophobicContact CD2-CD2 4.07Å; L688-Y693 HydrophobicContact CD2-CE1 4.3Å; L688-Y693 HydrophobicContact CD2-CE2 4Å; L688-Y693 HydrophobicContact CD2-CG 4.25Å; L688-Y693 WeakPolarHBondContact O-CB 3.4Å; L688-Y693 VanDerWaalsContact O-CD2 3.27Å; L688-Y693 WeakPolarHBondContact O-CD2 3.38Å; L688-Y693 PolarHBondContact O-N 2.94Å; Q691-Y693 HydrophobicContact CB-CD2 3.97Å; Q691-Y693 HydrophobicContact CB-CE2 4.07Å
694	E	98.3	Very high	97.6	Very high	67 Å²	67	19.2 Å²	19.2	31%	0.313	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.2	169.3	-51.4	-170.7	127.5	0	0	110.7	K589 K590 A591 R650 I696	K589-E694 PolarHBondContact O-N 3.38Å; K590-E694 WeakPolarHBondContact CA-O 3.45Å; K590-E694 VanDerWaalsContact CE-OE2 3.23Å; K590-E694 WeakPolarHBondContact CE-OE2 3.45Å; K590-E694 HydrophobicContact CG-CB 4.21Å; A591-E694 PolarHBondContact N-O 2.95Å; R650-E694 IonicContact CZ-OE1 3.12Å; R650-E694 IonicContact NH1-OE1 3.44Å; R650-E694 PolarHBondContact NH1-OE1 2.93Å; E694-I696 HydrophobicContact CB-CD1 4.1Å; E694-I696 HydrophobicContact CB-CG1 4.45Å
695	F	98.7	Very high	97.6	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.018	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.4	176.7	-64.2	-75	0	0	0	110.7	A591 I593 R650 V651 W653 F657 I685 L688 D689	A591-F695 HydrophobicContact CB-CD1 3.87Å; A591-F695 HydrophobicContact CB-CE1 4.05Å; I593-F695 HydrophobicContact CD1-CB 3.75Å; I593-F695 HydrophobicContact CD1-CD1 4.35Å; I593-F695 HydrophobicContact CD1-CG 4.45Å; R650-F695 WeakPolarHBondContact CA-O 3.44Å; V651-F695 HydrophobicContact CG2-CB 3.83Å; V651-F695 PolarHBondContact N-O 3.23Å; W653-F695 HydrophobicContact CB-CD2 4.28Å; W653-F695 HydrophobicContact CB-CE2 3.94Å; W653-F695 HydrophobicContact CG-CE2 4.46Å; F657-F695 HydrophobicContact CE1-CD1 4.49Å; F657-F695 HydrophobicContact CE1-CG 4.45Å; I685-F695 HydrophobicContact CG2-CE1 3.96Å; I685-F695 HydrophobicContact CG2-CZ 4.01Å; L688-F695 HydrophobicContact CB-CE1 4.39Å; L688-F695 HydrophobicContact CB-CZ 4.15Å; D689-F695 HydrophobicContact CB-CE2 3.67Å; D689-F695 HydrophobicContact CB-CZ 3.86Å
696	I	98.8	Very high	97.5	Very high	13 Å²	13	21 Å²	21	7%	0.067	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.6	-174.4	-52.6	-57.9	0	0	0	110.2	L583 K590 A591 M592 I593 P648 R650 E694	L583-I696 HydrophobicContact CD1-CG2 3.9Å; L583-I696 HydrophobicContact CD2-CG2 4.32Å; K590-I696 HydrophobicContact CB-CG1 4.48Å; K590-I696 HydrophobicContact CD-CG1 4.24Å; K590-I696 HydrophobicContact CG-CG1 4.3Å; A591-I696 PolarHBondContact O-N 3.03Å; M592-I696 CarbonylContact C-O 3.54Å; M592-I696 WeakPolarHBondContact CA-O 3.32Å; I593-I696 PolarHBondContact N-O 3.17Å; P648-I696 HydrophobicContact CB-CG2 3.64Å; R650-I696 HydrophobicContact CB-CD1 3.83Å; R650-I696 HydrophobicContact CG-CD1 4.24Å; E694-I696 HydrophobicContact CB-CD1 4.1Å; E694-I696 HydrophobicContact CB-CG1 4.45Å
697	V	98.9	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.2	177.4	-176.1	0	0	0	0	110.8	I593 P595 T637 P648 Y649 V651	I593-V697 HydrophobicContact CB-CG2 4.14Å; I593-V697 HydrophobicContact CD1-CG2 3.94Å; I593-V697 HydrophobicContact CG2-CG2 4.34Å; P595-V697 HydrophobicContact CG-CG1 3.62Å; T637-V697 HydrophobicContact CG2-CG1 4.1Å; T637-V697 HydrophobicContact CG2-CG2 4.19Å; P648-V697 WeakPolarHBondContact CA-O 3.31Å; Y649-V697 HydrophobicContact CD1-CB 4.34Å; Y649-V697 HydrophobicContact CD2-CB 4.11Å; Y649-V697 HydrophobicContact CD2-CG2 4.36Å; Y649-V697 HydrophobicContact CE1-CB 3.89Å; Y649-V697 HydrophobicContact CE1-CG1 3.9Å; Y649-V697 HydrophobicContact CE2-CB 3.65Å; Y649-V697 HydrophobicContact CE2-CG1 4.16Å; Y649-V697 HydrophobicContact CE2-CG2 3.79Å; Y649-V697 HydrophobicContact CG-CB 4.45Å; Y649-V697 PolarHBondContact N-O 3.09Å; Y649-V697 PolarHBondContact O-N 3.43Å; Y649-V697 WeakPolarHBondContact OH-CG1 3.35Å; V651-V697 HydrophobicContact CB-CG2 4.48Å; V651-V697 HydrophobicContact CG1-CG2 3.64Å; V651-V697 HydrophobicContact CG2-CG2 3.96Å
698	L	98.8	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.			trans	-82.2	124.4	178	-64.2	178.1	0	0	0	111.2	Y575 L576 L583 M592 I593 V594 W642 N700 A701	Y575-L698 HydrophobicContact CE1-CB 4.04Å; Y575-L698 HydrophobicContact CE1-CD1 3.97Å; Y575-L698 HydrophobicContact CE1-CG 4.41Å; L576-L698 HydrophobicContact CD2-CD1 3.42Å; L576-L698 VanDerWaalsContact CD2-CD1 3.42Å; L583-L698 HydrophobicContact CD1-CD2 3.95Å; M592-L698 HydrophobicContact CB-CD1 3.94Å; M592-L698 HydrophobicContact CB-CD2 4.26Å; M592-L698 HydrophobicContact CB-CG 4.06Å; M592-L698 HydrophobicContact CG-CD2 4.41Å; M592-L698 HydrophobicContact SD-CD1 4.35Å; M592-L698 HydrophobicContact SD-CD2 4.08Å; I593-L698 PolarHBondContact O-N 3.26Å; V594-L698 HydrophobicContact CG2-CD1 4.27Å; W642-L698 PolarHBondContact NE1-O 2.84Å; L698-N700 VanDerWaalsContact C-N 3.35Å; L698-N700 PolarHBondContact O-N 3.05Å; L698-A701 HydrophobicContact CB-CB 3.8Å; L698-A701 HydrophobicContact CD1-CB 4.14Å
699	P	97.8	Very high	96.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.7	-169	31	-38	0	0	0	113	Y575 K610 W642 A645 P648	Y575-P699 WeakPolarHBondContact OH-CD 3.35Å; K610-P699 WeakPolarHBondContact CD-O 2.92Å; K610-P699 WeakPolarHBondContact CE-O 3.33Å; K610-P699 PolarHBondContact NZ-O 2.92Å; W642-P699 PolarHBondContact NE1-O 2.99Å; A645-P699 HydrophobicContact CB-CB 4.05Å; A645-P699 WeakPolarHBondContact O-CB 3.28Å; P648-P699 HydrophobicContact CG-CG 4.46Å
700	N	96.8	Very high	96	Very high	70 Å²	70	30.9 Å²	30.9	37%	0.374	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	5.3	-174.4	-64.3	-41.7	0	0	0	113.3	M569 Y575 L698	M569-N700 VanDerWaalsContact CE-O 3.23Å; M569-N700 WeakPolarHBondContact CE-O 3.42Å; Y575-N700 HydrophobicContact CE2-CB 4.1Å; L698-N700 VanDerWaalsContact C-N 3.35Å; L698-N700 PolarHBondContact O-N 3.05Å
701	A	98.2	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.			trans	-94	147.6	172.1	0	0	0	0	0	110.9	L572 Y575 V594 P595 W642 L698	L572-A701 HydrophobicContact CD1-CB 3.57Å; Y575-A701 HydrophobicContact CD1-CB 3.98Å; Y575-A701 HydrophobicContact CE1-CB 3.68Å; V594-A701 HydrophobicContact CG1-CB 3.96Å; V594-A701 HydrophobicContact CG2-CB 4.25Å; P595-A701 WeakPolarHBondContact CD-O 3.34Å; W642-A701 WeakPolarHBondContact CZ2-O 3.38Å; L698-A701 HydrophobicContact CB-CB 3.8Å; L698-A701 HydrophobicContact CD1-CB 4.14Å
702	Y	98.4	Very high	95.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.016	21%	0.206	C	C	.	.			trans	-156.7	161.9	166.8	60.1	-91	0	0	0	111.2	M569 P595 F606 P607 S609 L613 W642 I704	M569-Y702 HydrophobicContact CB-CD1 4.14Å; M569-Y702 HydrophobicContact CB-CD2 3.87Å; M569-Y702 HydrophobicContact CB-CE1 3.81Å; M569-Y702 HydrophobicContact CB-CE2 3.52Å; M569-Y702 HydrophobicContact CB-CG 4.17Å; M569-Y702 VanDerWaalsContact CB-CZ 3.49Å; M569-Y702 HydrophobicContact CG-CD1 4.44Å; M569-Y702 HydrophobicContact CG-CE1 4.34Å; M569-Y702 PolarHBondContact N-O 3.04Å; M569-Y702 VanDerWaalsContact N-O 3.09Å; M569-Y702 HydrophobicContact SD-CD1 3.64Å; M569-Y702 HydrophobicContact SD-CE1 3.6Å; M569-Y702 VanDerWaalsContact SD-CE1 3.6Å; M569-Y702 HydrophobicContact SD-CG 4.34Å; P595-Y702 WeakPolarHBondContact O-CA 3.47Å; F606-Y702 AromaticContact CE1-CE2 3.97Å; F606-Y702 HydrophobicContact CE1-CE2 3.97Å; F606-Y702 HydrophobicContact CZ-CE2 4.28Å; P607-Y702 HydrophobicContact CG-CE2 3.91Å; P607-Y702 PolarHBondContact O-OH 3.25Å; S609-Y702 PolarHBondContact N-OH 3.12Å; L613-Y702 HydrophobicContact CD1-CD1 4.03Å; L613-Y702 HydrophobicContact CD1-CD2 3.23Å; L613-Y702 HydrophobicContact CD1-CE1 4.32Å; L613-Y702 HydrophobicContact CD1-CE2 3.59Å; L613-Y702 HydrophobicContact CD1-CG 3.48Å; L613-Y702 VanDerWaalsContact CD1-CG 3.48Å; W642-Y702 HydrophobicContact CH2-CD1 4.49Å; Y702-I704 HydrophobicContact CD2-CG1 4.35Å; Y702-I704 HydrophobicContact CE2-CD1 4.46Å
703	M	98.3	Very high	94.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.2	168.2	66.8	-179.4	91.1	0	0	110.1	F560 F566 L567 V594 P595 A596 F597 Y660	F560-M703 HydrophobicContact CE2-CE 3.56Å; F560-M703 HydrophobicContact CZ-CE 3.26Å; F560-M703 HydrophobicContact CZ-SD 4.07Å; F566-M703 HydrophobicContact CB-CG 4.47Å; F566-M703 HydrophobicContact CB-SD 3.96Å; F566-M703 HydrophobicContact CD1-CB 4.25Å; F566-M703 HydrophobicContact CD1-CG 3.55Å; F566-M703 HydrophobicContact CD1-SD 3.49Å; F566-M703 WeakPolarHBondContact CD1-SD 3.37Å; F566-M703 HydrophobicContact CE1-CG 4.18Å; F566-M703 HydrophobicContact CE1-SD 4.13Å; F566-M703 HydrophobicContact CG-CG 4.33Å; F566-M703 HydrophobicContact CG-SD 3.8Å; L567-M703 WeakPolarHBondContact O-CA 3.37Å; V594-M703 HydrophobicContact CB-CE 3.4Å; V594-M703 HydrophobicContact CG1-CB 4.48Å; V594-M703 HydrophobicContact CG1-CE 3.32Å; V594-M703 HydrophobicContact CG1-CG 4.43Å; V594-M703 HydrophobicContact CG2-CE 4.48Å; V594-M703 WeakPolarHBondContact O-CE 3.42Å; P595-M703 PolarHBondContact O-N 3.3Å; A596-M703 HydrophobicContact CB-CG 4.12Å; F597-M703 PolarHBondContact N-O 3.05Å; Y660-M703 HydrophobicContact CD1-SD 4.36Å; Y660-M703 HydrophobicContact CD2-CE 4.1Å; Y660-M703 HydrophobicContact CD2-SD 3.81Å; Y660-M703 HydrophobicContact CE2-SD 4.44Å; Y660-M703 HydrophobicContact CG-CE 3.81Å; Y660-M703 HydrophobicContact CG-SD 3.77Å
704	I	98.3	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123	-177.8	-56.7	178.2	0	0	0	109.9	F566 L567 F597 T599 L604 F606 P607 L613 L622 Y702 M706	F566-I704 WeakPolarHBondContact CA-O 3.39Å; L567-I704 PolarHBondContact N-O 2.89Å; L567-I704 PolarHBondContact O-N 3.45Å; F597-I704 HydrophobicContact CB-CG1 4.41Å; F597-I704 CarbonylContact O-C 3.54Å; F597-I704 WeakPolarHBondContact O-CA 3.23Å; T599-I704 HydrophobicContact CG2-CG2 4.4Å; L604-I704 HydrophobicContact CD2-CD1 4Å; L604-I704 HydrophobicContact CD2-CG2 3.89Å; F606-I704 HydrophobicContact CD2-CD1 4.22Å; F606-I704 HydrophobicContact CE1-CD1 4.46Å; F606-I704 HydrophobicContact CE2-CB 3.95Å; F606-I704 HydrophobicContact CE2-CD1 3.78Å; F606-I704 HydrophobicContact CE2-CG1 4.04Å; F606-I704 HydrophobicContact CZ-CB 4.44Å; F606-I704 HydrophobicContact CZ-CD1 3.92Å; F606-I704 HydrophobicContact CZ-CG1 4.13Å; P607-I704 VanDerWaalsContact CD-CD1 3.48Å; P607-I704 HydrophobicContact CG-CD1 3.52Å; L613-I704 HydrophobicContact CD1-CD1 4.43Å; L622-I704 HydrophobicContact CD1-CD1 3.91Å; L622-I704 HydrophobicContact CD2-CD1 4.35Å; L622-I704 HydrophobicContact CD2-CG2 4.11Å; Y702-I704 HydrophobicContact CD2-CG1 4.35Å; Y702-I704 HydrophobicContact CE2-CD1 4.46Å; I704-M706 HydrophobicContact CG2-SD 4.38Å
705	H	97.4	Very high	93.8	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.069	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.2	169.4	-175.7	-101.6	0	0	0	110.4	D565 F566 F597 E598 T599 F625 H708	D565-H705 WeakPolarHBondContact O-CA 3.41Å; F566-H705 HydrophobicContact CD1-CB 3.95Å; F566-H705 HydrophobicContact CE1-CB 3.46Å; F566-H705 VanDerWaalsContact CE1-CB 3.46Å; F566-H705 HydrophobicContact CE2-CB 4.31Å; F566-H705 AromaticContact CE2-CD2 3.53Å; F566-H705 HydrophobicContact CZ-CB 3.66Å; F566-H705 AromaticContact CZ-CD2 3.66Å; F566-H705 AromaticContact CZ-CG 3.98Å; F597-H705 WeakPolarHBondContact O-CB 3.4Å; F597-H705 PolarHBondContact O-N 3.09Å; E598-H705 HydrophobicContact CB-CB 4.04Å; T599-H705 PolarHBondContact N-O 3.21Å; F625-H705 HydrophobicContact CD2-CB 3.75Å; F625-H705 HydrophobicContact CE2-CB 3.77Å; F625-H705 AromaticContact CE2-CD2 3.8Å; F625-H705 AromaticContact CE2-CG 3.54Å; F625-H705 AromaticContact CE2-ND1 3.97Å; H705-H708 AromaticContact CE1-CD2 3.35Å; H705-H708 PolarHBondContact CE1-CD2 3.22Å; H705-H708 AromaticContact CE1-NE2 3.27Å; H705-H708 PolarHBondContact CE1-NE2 2.96Å; H705-H708 VanDerWaalsContact CE1-NE2 3.27Å; H705-H708 AromaticContact NE2-CD2 3.15Å; H705-H708 PolarHBondContact NE2-CD2 3.13Å; H705-H708 AromaticContact NE2-NE2 2.92Å; H705-H708 PolarHBondContact NE2-NE2 3.01Å
706	M	95.7	Very high	93.3	Very high	25 Å²	25	34 Å²	34	12%	0.123	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-97.2	140.1	177.5	-61	-56.3	-65.2	0	0	110.9	M487 D565 L567 T599 L604 I704 H708	M487-M706 HydrophobicContact CE-CB 4.07Å; M487-M706 HydrophobicContact CE-CG 3.89Å; M487-M706 HydrophobicContact SD-CB 4.27Å; D565-M706 PolarHBondContact O-N 3.11Å; L567-M706 HydrophobicContact CD1-CG 3.81Å; L567-M706 HydrophobicContact CD1-SD 3.97Å; L567-M706 HydrophobicContact CG-CG 3.89Å; T599-M706 HydrophobicContact CG2-CE 4.3Å; T599-M706 HydrophobicContact CG2-SD 4.08Å; L604-M706 HydrophobicContact CB-CE 4.26Å; L604-M706 HydrophobicContact CD2-SD 4.32Å; I704-M706 HydrophobicContact CG2-SD 4.38Å; M706-H708 PolarHBondContact O-CD2 3.42Å; M706-H708 PolarHBondContact O-N 3.31Å
707	P	92.4	Very high	93	Very high	31 Å²	31	35.9 Å²	35.9	20%	0.201	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-56.3	134.8	177.7	-27.1	32	0	0	0	112.8	T599 Y602	T599-P707 HydrophobicContact CG2-CG 4.23Å; T599-P707 WeakPolarHBondContact O-CD 3.44Å; T599-P707 VanDerWaalsContact O-CG 3.24Å; T599-P707 WeakPolarHBondContact O-CG 3.46Å; Y602-P707 HydrophobicContact CD1-CB 3.97Å; Y602-P707 HydrophobicContact CE1-CB 3.82Å
708	H	91.7	Very high	92.6	Very high	53 Å²	53	43.7 Å²	43.7	25%	0.245	23%	0.229	C	C	.	.			trans	-147.8	161.6	177.5	64.5	71.9	0	0	0	111.4	R484 D565 H705 M706	R484-H708 VanDerWaalsContact NH2-CG 3.32Å; R484-H708 PolarHBondContact NH2-ND1 2.98Å; D565-H708 IonicContact OD1-CD2 2.87Å; D565-H708 PolarHBondContact OD1-CD2 2.96Å; D565-H708 IonicContact OD1-CG 2.82Å; D565-H708 IonicContact OD2-CD2 3.83Å; D565-H708 PolarHBondContact OD2-CD2 3.19Å; D565-H708 IonicContact OD2-CE1 3.63Å; D565-H708 IonicContact OD2-CG 3.54Å; D565-H708 IonicContact OD2-NE2 2.66Å; D565-H708 PolarHBondContact OD2-NE2 3.04Å; H705-H708 AromaticContact CE1-CD2 3.35Å; H705-H708 PolarHBondContact CE1-CD2 3.22Å; H705-H708 AromaticContact CE1-NE2 3.27Å; H705-H708 PolarHBondContact CE1-NE2 2.96Å; H705-H708 VanDerWaalsContact CE1-NE2 3.27Å; H705-H708 AromaticContact NE2-CD2 3.15Å; H705-H708 PolarHBondContact NE2-CD2 3.13Å; H705-H708 AromaticContact NE2-NE2 2.92Å; H705-H708 PolarHBondContact NE2-NE2 3.01Å; M706-H708 PolarHBondContact O-CD2 3.42Å; M706-H708 PolarHBondContact O-N 3.31Å
709	A	87.7	Confident	92.3	Very high	63 Å²	63	48.1 Å²	48.1	52%	0.521	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-65	145.2	175.6	0	0	0	0	0	111.2	R484	R484-A709 PolarHBondContact NH2-O 2.83Å
710	P	85.7	Confident	92	Very high	93 Å²	93	51.3 Å²	51.3	60%	0.604	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-58.6	143.2	172.8	-22.5	33.3	0	0	0	111.9	I714	P710-I714 HydrophobicContact CB-CG2 3.79Å
711	S	86.6	Confident	91.9	Very high	50 Å²	50	55.1 Å²	55.1	35%	0.35	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-71.8	165.4	174.9	67.4	0	0	0	0	112.2	D713 I714 T715	S711-D713 VanDerWaalsContact C-N 3.33Å; S711-I714 WeakPolarHBondContact O-CG2 3.26Å; S711-I714 PolarHBondContact OG-N 3.32Å; S711-T715 PolarHBondContact O-OG1 2.89Å
712	F	86.1	Confident	91.6	Very high	147 Å²	147	59.7 Å²	59.7	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-66	-37.7	173.6	-173.8	-119	0	0	0	111.9	I714 T715 K716	F712-I714 PolarHBondContact O-N 3.35Å; F712-T715 WeakPolarHBondContact O-CA 3.46Å; F712-T715 VanDerWaalsContact O-CB 3.32Å; F712-T715 WeakPolarHBondContact O-CB 3.24Å; F712-T715 PolarHBondContact O-N 2.88Å; F712-T715 VanDerWaalsContact O-N 3.09Å; F712-K716 HydrophobicContact CD1-CD 3.88Å; F712-K716 HydrophobicContact CD1-CG 4.29Å; F712-K716 HydrophobicContact CE1-CD 3.73Å; F712-K716 HydrophobicContact CE1-CG 4.09Å; F712-K716 HydrophobicContact CZ-CD 4.43Å; F712-K716 HydrophobicContact CZ-CG 4.34Å; F712-K716 PolarHBondContact O-N 3.47Å
713	D	86.6	Confident	91.5	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-68	-34.4	-178.9	-71.8	-54.9	0	0	0	113.8	Y541 F677 S711 T715 K716 F717	Y541-D713 WeakPolarHBondContact CB-OD2 3.44Å; Y541-D713 PolarHBondContact N-OD2 2.96Å; F677-D713 HydrophobicContact CB-CB 3.99Å; S711-D713 VanDerWaalsContact C-N 3.33Å; D713-T715 PolarHBondContact O-N 3.28Å; D713-K716 PolarHBondContact O-N 3.41Å; D713-F717 WeakPolarHBondContact O-CB 3.32Å; D713-F717 PolarHBondContact O-N 3.43Å
714	I	88.3	Confident	91.3	Very high	21 Å²	21	64.3 Å²	64.3	11%	0.108	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-32.8	172.3	-171.2	171.8	0	0	0	111.1	F677 P710 S711 F712 R718	F677-I714 HydrophobicContact CD1-CG1 4.47Å; F677-I714 HydrophobicContact CD2-CB 3.85Å; F677-I714 HydrophobicContact CD2-CD1 4.35Å; F677-I714 HydrophobicContact CD2-CG1 4.09Å; F677-I714 HydrophobicContact CE1-CG1 4.35Å; F677-I714 HydrophobicContact CE2-CB 4.19Å; F677-I714 HydrophobicContact CE2-CD1 3.8Å; F677-I714 HydrophobicContact CE2-CG1 3.96Å; F677-I714 HydrophobicContact CG-CB 4.11Å; F677-I714 HydrophobicContact CG-CG1 4.35Å; F677-I714 HydrophobicContact CZ-CD1 4Å; F677-I714 HydrophobicContact CZ-CG1 4.1Å; P710-I714 HydrophobicContact CB-CG2 3.79Å; S711-I714 WeakPolarHBondContact O-CG2 3.26Å; S711-I714 PolarHBondContact OG-N 3.32Å; F712-I714 PolarHBondContact O-N 3.35Å; I714-R718 VanDerWaalsContact O-CG 3.28Å; I714-R718 WeakPolarHBondContact O-CG 3.44Å; I714-R718 PolarHBondContact O-N 3.46Å; I714-R718 VanDerWaalsContact O-N 3.12Å
715	T	88.8	Confident	91.2	Very high	72 Å²	72	67.8 Å²	67.8	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-46.2	174.8	-55.8	0	0	0	0	110.5	S711 F712 D713 F717 R718 S719	S711-T715 PolarHBondContact O-OG1 2.89Å; F712-T715 WeakPolarHBondContact O-CA 3.46Å; F712-T715 VanDerWaalsContact O-CB 3.32Å; F712-T715 WeakPolarHBondContact O-CB 3.24Å; F712-T715 PolarHBondContact O-N 2.88Å; F712-T715 VanDerWaalsContact O-N 3.09Å; D713-T715 PolarHBondContact O-N 3.28Å; T715-F717 PolarHBondContact O-N 3.22Å; T715-R718 PolarHBondContact O-N 2.79Å; T715-S719 PolarHBondContact O-N 3.45Å; T715-S719 PolarHBondContact O-OG 3.42Å; T715-S719 VanDerWaalsContact O-OG 3.05Å
716	K	89.1	Confident	91.1	Very high	42 Å²	42	67.1 Å²	67.1	18%	0.183	34%	0.344	C	S	.	.	H	α-helix	trans	-56.5	-47.7	172.6	-79.2	175.6	154.3	174	0	112.1	Q539 F712 D713 R718 S719 N720 Y723	Q539-K716 PolarHBondContact O-NZ 3.24Å; F712-K716 HydrophobicContact CD1-CD 3.88Å; F712-K716 HydrophobicContact CD1-CG 4.29Å; F712-K716 HydrophobicContact CE1-CD 3.73Å; F712-K716 HydrophobicContact CE1-CG 4.09Å; F712-K716 HydrophobicContact CZ-CD 4.43Å; F712-K716 HydrophobicContact CZ-CG 4.34Å; F712-K716 PolarHBondContact O-N 3.47Å; D713-K716 PolarHBondContact O-N 3.41Å; K716-R718 VanDerWaalsContact C-N 3.3Å; K716-R718 PolarHBondContact O-N 3.4Å; K716-S719 PolarHBondContact O-N 3Å; K716-S719 PolarHBondContact O-OG 3.2Å; K716-N720 WeakPolarHBondContact O-CB 3.47Å; K716-N720 PolarHBondContact O-N 3.43Å; K716-Y723 HydrophobicContact CB-CD2 4.42Å
717	F	91.1	Very high	91	Very high	53 Å²	53	66.5 Å²	66.5	23%	0.232	34%	0.341	C	S	.	.	H	α-helix	trans	-57.2	-42.6	178	170	-95.6	0	0	0	112.1	F677 D713 T715 Y723 R724 L727	F677-F717 HydrophobicContact CB-CB 4.41Å; F677-F717 HydrophobicContact CD1-CB 3.85Å; F677-F717 AromaticContact CD1-CD1 3.83Å; F677-F717 HydrophobicContact CD1-CD1 3.83Å; F677-F717 HydrophobicContact CD1-CD2 4.06Å; F677-F717 HydrophobicContact CD1-CE1 4.42Å; F677-F717 AromaticContact CD1-CG 3.63Å; F677-F717 HydrophobicContact CD1-CG 3.63Å; F677-F717 AromaticContact CE1-CD1 3.84Å; F677-F717 HydrophobicContact CE1-CD1 3.84Å; F677-F717 HydrophobicContact CE1-CE1 4.09Å; F677-F717 HydrophobicContact CE1-CG 4.12Å; F677-F717 HydrophobicContact CG-CB 4.47Å; D713-F717 WeakPolarHBondContact O-CB 3.32Å; D713-F717 PolarHBondContact O-N 3.43Å; T715-F717 PolarHBondContact O-N 3.22Å; F717-Y723 HydrophobicContact CB-CD1 4.02Å; F717-Y723 HydrophobicContact CB-CE1 3.97Å; F717-Y723 AromaticContact CD2-CD1 3.59Å; F717-Y723 HydrophobicContact CD2-CD1 3.59Å; F717-Y723 AromaticContact CD2-CE1 3.63Å; F717-Y723 HydrophobicContact CD2-CE1 3.63Å; F717-Y723 HydrophobicContact CG-CD1 4.28Å; F717-Y723 HydrophobicContact CG-CE1 4.29Å; F717-R724 HydrophobicContact CD2-CG 3.96Å; F717-R724 HydrophobicContact CE2-CG 3.72Å; F717-R724 HydrophobicContact CZ-CG 4.16Å; F717-R724 WeakPolarHBondContact O-CG 3.29Å; F717-R724 PolarHBondContact O-NH1 2.77Å; F717-L727 HydrophobicContact CD2-CD2 4.23Å; F717-L727 HydrophobicContact CE2-CD2 3.78Å
718	R	90.6	Very high	91.1	Very high	164 Å²	164	70.6 Å²	70.6	62%	0.619	36%	0.356	S	S	*	.	H	α-helix	trans	-70.4	-41.6	179.9	-72.4	171.3	177.7	172.9	-1.3	112.4	I714 T715 K716 R724	I714-R718 VanDerWaalsContact O-CG 3.28Å; I714-R718 WeakPolarHBondContact O-CG 3.44Å; I714-R718 PolarHBondContact O-N 3.46Å; I714-R718 VanDerWaalsContact O-N 3.12Å; T715-R718 PolarHBondContact O-N 2.79Å; K716-R718 VanDerWaalsContact C-N 3.3Å; K716-R718 PolarHBondContact O-N 3.4Å; R718-R724 PolarHBondContact O-NH1 3.03Å
719	S	92.2	Very high	91.3	Very high	92 Å²	92	70.2 Å²	70.2	64%	0.643	36%	0.357	S	S	*	.	H	α-helix	trans	-86.1	-29.8	-175	62.8	0	0	0	0	114.1	T715 K716	T715-S719 PolarHBondContact O-N 3.45Å; T715-S719 PolarHBondContact O-OG 3.42Å; T715-S719 VanDerWaalsContact O-OG 3.05Å; K716-S719 PolarHBondContact O-N 3Å; K716-S719 PolarHBondContact O-OG 3.2Å
720	N	92.9	Very high	91.7	Very high	69 Å²	69	67.4 Å²	67.4	37%	0.369	33%	0.333	S	S	.	.			trans	-99.8	113.6	-172.3	-171.3	-22.6	0	0	0	112.2	K716 Q722 Y723 R724	K716-N720 WeakPolarHBondContact O-CB 3.47Å; K716-N720 PolarHBondContact O-N 3.43Å; N720-Q722 WeakPolarHBondContact OD1-CA 3.45Å; N720-Q722 VanDerWaalsContact OD1-CB 3.29Å; N720-Q722 WeakPolarHBondContact OD1-CB 3.46Å; N720-Q722 PolarHBondContact OD1-N 2.66Å; N720-Y723 WeakPolarHBondContact O-CB 3.5Å; N720-Y723 PolarHBondContact O-N 3.46Å; N720-Y723 PolarHBondContact OD1-N 3.45Å; N720-R724 PolarHBondContact O-NH1 3.09Å
721	K	93.9	Very high	92.1	Very high	150 Å²	150	64.6 Å²	64.6	65%	0.652	31%	0.311	S	S	*	.	H	α-helix	trans	-64.1	-40	176.6	-174.7	-176.7	176.5	-173.6	0	112.5	Y723 R724 I725	K721-Y723 VanDerWaalsContact C-N 3.33Å; K721-Y723 PolarHBondContact O-N 2.94Å; K721-R724 PolarHBondContact O-N 3.21Å; K721-I725 HydrophobicContact CG-CD1 4.09Å; K721-I725 WeakPolarHBondContact O-CG1 3.4Å; K721-I725 PolarHBondContact O-N 3.27Å; K721-I725 VanDerWaalsContact O-N 3.09Å
722	Q	92.9	Very high	92.5	Very high	96 Å²	96	65.2 Å²	65.2	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-40	179.6	-174.5	175.1	-5.6	0	0	111.2	L442 N720 R724 I725 C726	L442-Q722 PolarHBondContact O-NE2 3.31Å; N720-Q722 WeakPolarHBondContact OD1-CA 3.45Å; N720-Q722 VanDerWaalsContact OD1-CB 3.29Å; N720-Q722 WeakPolarHBondContact OD1-CB 3.46Å; N720-Q722 PolarHBondContact OD1-N 2.66Å; Q722-R724 VanDerWaalsContact C-N 3.28Å; Q722-R724 PolarHBondContact O-N 3.38Å; Q722-I725 PolarHBondContact O-N 3.46Å; Q722-C726 PolarHBondContact O-N 3.42Å; Q722-C726 PolarHBondContact O-SG 3.44Å
723	Y	94.5	Very high	92.9	Very high	6 Å²	6	60.5 Å²	60.5	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-52.9	-47.4	173.2	-170.3	-67.7	0	0	0	111.4	F446 F540 V675 F677 K716 F717 N720 K721 C726 L727	F446-Y723 HydrophobicContact CE1-CE1 4.44Å; F446-Y723 HydrophobicContact CE1-CE2 4.3Å; F446-Y723 AromaticContact CE2-CD2 3.98Å; F446-Y723 HydrophobicContact CE2-CD2 3.98Å; F446-Y723 HydrophobicContact CE2-CE2 4.18Å; F446-Y723 HydrophobicContact CE2-CG 4.25Å; F446-Y723 AromaticContact CZ-CD1 4Å; F446-Y723 HydrophobicContact CZ-CD1 4Å; F446-Y723 AromaticContact CZ-CD2 3.65Å; F446-Y723 HydrophobicContact CZ-CD2 3.65Å; F446-Y723 AromaticContact CZ-CE1 3.82Å; F446-Y723 HydrophobicContact CZ-CE1 3.82Å; F446-Y723 AromaticContact CZ-CE2 3.46Å; F446-Y723 HydrophobicContact CZ-CE2 3.46Å; F446-Y723 VanDerWaalsContact CZ-CE2 3.46Å; F446-Y723 AromaticContact CZ-CG 3.89Å; F446-Y723 HydrophobicContact CZ-CG 3.89Å; F446-Y723 AromaticContact CZ-CZ 3.52Å; F540-Y723 AromaticContact CD1-CE2 3.98Å; F540-Y723 HydrophobicContact CD1-CE2 3.98Å; F540-Y723 AromaticContact CE1-CD2 3.91Å; F540-Y723 HydrophobicContact CE1-CD2 3.91Å; F540-Y723 AromaticContact CE1-CE2 3.57Å; F540-Y723 HydrophobicContact CE1-CE2 3.57Å; V675-Y723 PolarHBondContact O-OH 3.44Å; F677-Y723 PolarHBondContact N-OH 3.27Å; F677-Y723 WeakPolarHBondContact O-CE1 3.41Å; F677-Y723 PolarHBondContact O-OH 3.43Å; K716-Y723 HydrophobicContact CB-CD2 4.42Å; F717-Y723 HydrophobicContact CB-CD1 4.02Å; F717-Y723 HydrophobicContact CB-CE1 3.97Å; F717-Y723 AromaticContact CD2-CD1 3.59Å; F717-Y723 HydrophobicContact CD2-CD1 3.59Å; F717-Y723 AromaticContact CD2-CE1 3.63Å; F717-Y723 HydrophobicContact CD2-CE1 3.63Å; F717-Y723 HydrophobicContact CG-CD1 4.28Å; F717-Y723 HydrophobicContact CG-CE1 4.29Å; N720-Y723 WeakPolarHBondContact O-CB 3.5Å; N720-Y723 PolarHBondContact O-N 3.46Å; N720-Y723 PolarHBondContact OD1-N 3.45Å; K721-Y723 VanDerWaalsContact C-N 3.33Å; K721-Y723 PolarHBondContact O-N 2.94Å; Y723-C726 PolarHBondContact O-N 3.25Å; Y723-L727 PolarHBondContact O-N 3.13Å
724	R	95	Very high	93.3	Very high	95 Å²	95	59.9 Å²	59.9	36%	0.358	29%	0.286	S	S	.	.	H	α-helix	trans	-68.7	-37.8	-179	-63.5	-171.7	-65.9	-88	6.8	112.9	F717 R718 N720 K721 Q722 C726 K728	F717-R724 HydrophobicContact CD2-CG 3.96Å; F717-R724 HydrophobicContact CE2-CG 3.72Å; F717-R724 HydrophobicContact CZ-CG 4.16Å; F717-R724 WeakPolarHBondContact O-CG 3.29Å; F717-R724 PolarHBondContact O-NH1 2.77Å; R718-R724 PolarHBondContact O-NH1 3.03Å; N720-R724 PolarHBondContact O-NH1 3.09Å; K721-R724 PolarHBondContact O-N 3.21Å; Q722-R724 VanDerWaalsContact C-N 3.28Å; Q722-R724 PolarHBondContact O-N 3.38Å; R724-C726 VanDerWaalsContact C-N 3.32Å; R724-K728 PolarHBondContact O-N 3Å; R724-K728 VanDerWaalsContact O-N 3.09Å
725	I	95.4	Very high	93.5	Very high	74 Å²	74	59.4 Å²	59.4	38%	0.379	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-44.7	174	-68.5	168.3	0	0	0	109.7	K721 Q722 K728 T729	K721-I725 HydrophobicContact CG-CD1 4.09Å; K721-I725 WeakPolarHBondContact O-CG1 3.4Å; K721-I725 PolarHBondContact O-N 3.27Å; K721-I725 VanDerWaalsContact O-N 3.09Å; Q722-I725 PolarHBondContact O-N 3.46Å; I725-K728 PolarHBondContact O-N 2.95Å; I725-T729 PolarHBondContact O-N 3.33Å; I725-T729 PolarHBondContact O-OG1 2.68Å
726	C	95.1	Very high	93.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-42.4	178.9	-72.3	0	0	0	0	113.3	L442 C443 F446 Q722 Y723 R724 K728 T729 L730	L442-C726 PolarHBondContact O-SG 3.37Å; C443-C726 WeakPolarHBondContact CA-SG 3.36Å; C443-C726 HydrophobicContact CB-CB 3.82Å; C443-C726 WeakPolarHBondContact CB-SG 3.3Å; C443-C726 WeakPolarHBondContact SG-CA 3.41Å; C443-C726 WeakPolarHBondContact SG-CB 3.29Å; C443-C726 CovalentContact SG-SG 2.06Å; C443-C726 PolarHBondContact SG-SG 3.13Å; F446-C726 HydrophobicContact CD2-CB 3.97Å; F446-C726 HydrophobicContact CE2-CB 3.98Å; Q722-C726 PolarHBondContact O-N 3.42Å; Q722-C726 PolarHBondContact O-SG 3.44Å; Y723-C726 PolarHBondContact O-N 3.25Å; R724-C726 VanDerWaalsContact C-N 3.32Å; C726-K728 VanDerWaalsContact C-N 3.25Å; C726-K728 PolarHBondContact O-N 2.86Å; C726-T729 PolarHBondContact O-N 3.02Å; C726-L730 WeakPolarHBondContact O-CB 3.43Å; C726-L730 VanDerWaalsContact O-CG 3.24Å; C726-L730 WeakPolarHBondContact O-CG 3.43Å; C726-L730 PolarHBondContact O-N 2.82Å
727	L	95	Very high	93.8	Very high	12 Å²	12	60 Å²	60	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-41.3	174.9	-168.5	66.7	0	0	0	111.7	F674 W679 F717 Y723 K731	F674-L727 HydrophobicContact CD1-CD1 4.01Å; F674-L727 HydrophobicContact CE1-CD1 4.44Å; W679-L727 HydrophobicContact CB-CD1 3.98Å; W679-L727 HydrophobicContact CB-CG 4.45Å; F717-L727 HydrophobicContact CD2-CD2 4.23Å; F717-L727 HydrophobicContact CE2-CD2 3.78Å; Y723-L727 PolarHBondContact O-N 3.13Å; L727-K731 VanDerWaalsContact O-CB 3.3Å; L727-K731 WeakPolarHBondContact O-CB 3.32Å; L727-K731 PolarHBondContact O-N 3.39Å
728	K	94.9	Very high	94	Very high	117 Å²	117	57.4 Å²	57.4	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-46.9	175.2	-178.7	175.2	172.7	174.3	0	111.7	R724 I725 C726 L730 K731 E732	R724-K728 PolarHBondContact O-N 3Å; R724-K728 VanDerWaalsContact O-N 3.09Å; I725-K728 PolarHBondContact O-N 2.95Å; C726-K728 VanDerWaalsContact C-N 3.25Å; C726-K728 PolarHBondContact O-N 2.86Å; K728-L730 PolarHBondContact O-N 2.92Å; K728-K731 WeakPolarHBondContact O-CB 3.49Å; K728-K731 PolarHBondContact O-N 2.92Å; K728-E732 WeakPolarHBondContact CE-OE1 3.5Å; K728-E732 IonicContact NZ-OE1 3.17Å; K728-E732 WeakPolarHBondContact O-CG 3.48Å; K728-E732 PolarHBondContact O-N 3.33Å
729	T	95.4	Very high	94	Very high	44 Å²	44	51 Å²	51	27%	0.27	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-47.9	178.9	-53.1	0	0	0	0	111.2	I725 C726 K731 E732 E733	I725-T729 PolarHBondContact O-N 3.33Å; I725-T729 PolarHBondContact O-OG1 2.68Å; C726-T729 PolarHBondContact O-N 3.02Å; T729-K731 VanDerWaalsContact C-N 3.31Å; T729-K731 PolarHBondContact O-N 3.3Å; T729-E732 PolarHBondContact O-N 3Å; T729-E733 WeakPolarHBondContact O-CG 3.32Å; T729-E733 PolarHBondContact O-N 2.99Å
730	L	95.3	Very high	94	Very high	4 Å²	4	55 Å²	55	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-33.1	179.1	-67.1	170.8	0	0	0	112.7	F446 F674 C726 K728 F734	F446-L730 HydrophobicContact CB-CD1 3.78Å; F446-L730 HydrophobicContact CD1-CD1 3.56Å; F446-L730 HydrophobicContact CE1-CD1 4.34Å; F446-L730 HydrophobicContact CG-CD1 3.85Å; F674-L730 HydrophobicContact CE1-CB 4.03Å; C726-L730 WeakPolarHBondContact O-CB 3.43Å; C726-L730 VanDerWaalsContact O-CG 3.24Å; C726-L730 WeakPolarHBondContact O-CG 3.43Å; C726-L730 PolarHBondContact O-N 2.82Å; K728-L730 PolarHBondContact O-N 2.92Å; L730-F734 WeakPolarHBondContact O-CB 3.45Å; L730-F734 PolarHBondContact O-N 2.89Å
731	K	94.9	Very high	94	Very high	34 Å²	34	57.7 Å²	57.7	15%	0.148	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-52.1	170.7	163.4	-169.4	178.6	-173.7	0	110.8	W679 L727 K728 T729 E733 F734 Q735 E753	W679-K731 HydrophobicContact CD2-CB 3.95Å; W679-K731 HydrophobicContact CD2-CD 4.05Å; W679-K731 HydrophobicContact CD2-CG 3.87Å; W679-K731 VanDerWaalsContact CE2-CD 3.41Å; W679-K731 HydrophobicContact CE3-CB 3.99Å; W679-K731 HydrophobicContact CE3-CD 4.4Å; W679-K731 HydrophobicContact CE3-CG 3.79Å; W679-K731 HydrophobicContact CH2-CD 3.67Å; W679-K731 HydrophobicContact CH2-CG 3.54Å; W679-K731 HydrophobicContact CZ2-CD 3.25Å; W679-K731 HydrophobicContact CZ2-CG 3.63Å; W679-K731 HydrophobicContact CZ3-CB 4.29Å; W679-K731 HydrophobicContact CZ3-CD 4.23Å; W679-K731 HydrophobicContact CZ3-CG 3.62Å; L727-K731 VanDerWaalsContact O-CB 3.3Å; L727-K731 WeakPolarHBondContact O-CB 3.32Å; L727-K731 PolarHBondContact O-N 3.39Å; K728-K731 WeakPolarHBondContact O-CB 3.49Å; K728-K731 PolarHBondContact O-N 2.92Å; T729-K731 VanDerWaalsContact C-N 3.31Å; T729-K731 PolarHBondContact O-N 3.3Å; K731-E733 VanDerWaalsContact C-N 3.32Å; K731-E733 PolarHBondContact O-N 3.4Å; K731-F734 WeakPolarHBondContact O-CB 3.26Å; K731-F734 PolarHBondContact O-N 3.18Å; K731-F734 VanDerWaalsContact O-N 3.15Å; K731-Q735 WeakPolarHBondContact O-CG 3.32Å; K731-Q735 PolarHBondContact O-N 2.8Å; K731-E753 VanDerWaalsContact CE-OE1 3.29Å; K731-E753 WeakPolarHBondContact CE-OE1 3.47Å; K731-E753 IonicContact NZ-OE1 3Å; K731-E753 PolarHBondContact NZ-OE1 2.65Å
732	E	93.9	Very high	94	Very high	64 Å²	64	53.7 Å²	53.7	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-44.4	-179	-70.6	168.7	-166.6	0	0	110.7	K728 T729 F734 Q735 Q736	K728-E732 WeakPolarHBondContact CE-OE1 3.5Å; K728-E732 IonicContact NZ-OE1 3.17Å; K728-E732 WeakPolarHBondContact O-CG 3.48Å; K728-E732 PolarHBondContact O-N 3.33Å; T729-E732 PolarHBondContact O-N 3Å; E732-F734 PolarHBondContact O-N 2.96Å; E732-Q735 PolarHBondContact O-N 3.19Å; E732-Q736 VanDerWaalsContact O-CG 3.32Å; E732-Q736 WeakPolarHBondContact O-CG 3.48Å; E732-Q736 PolarHBondContact O-N 3.21Å
733	E	94.3	Very high	93.8	Very high	48 Å²	48	50.7 Å²	50.7	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-44.2	173.9	-72	177.8	-171.9	0	0	112.3	R447 T729 K731 Q735 Q736 D737	R447-E733 IonicContact CZ-OE1 3.92Å; R447-E733 IonicContact CZ-OE2 2.69Å; R447-E733 IonicContact NH1-OE1 3.32Å; R447-E733 PolarHBondContact NH1-OE1 3.46Å; R447-E733 IonicContact NH1-OE2 3.85Å; R447-E733 PolarHBondContact NH1-OE2 3.34Å; R447-E733 IonicContact NH2-OE1 3.37Å; R447-E733 PolarHBondContact NH2-OE1 2.94Å; R447-E733 IonicContact NH2-OE2 3.11Å; T729-E733 WeakPolarHBondContact O-CG 3.32Å; T729-E733 PolarHBondContact O-N 2.99Å; K731-E733 VanDerWaalsContact C-N 3.32Å; K731-E733 PolarHBondContact O-N 3.4Å; E733-Q735 PolarHBondContact O-N 2.92Å; E733-Q736 PolarHBondContact O-N 2.92Å; E733-D737 VanDerWaalsContact O-CG 3.25Å; E733-D737 PolarHBondContact O-N 2.85Å
734	F	95.3	Very high	93.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-45.8	177.8	175.7	-98	0	0	0	111.5	D671 F674 A683 M686 E687 L730 K731 E732 Q736 D737 M738	D671-F734 HydrophobicContact CB-CD2 4.22Å; D671-F734 HydrophobicContact CB-CE2 3.96Å; D671-F734 WeakPolarHBondContact OD2-CD2 3.4Å; F674-F734 HydrophobicContact CE2-CB 4.06Å; F674-F734 AromaticContact CE2-CD2 3.96Å; F674-F734 HydrophobicContact CE2-CD2 3.96Å; F674-F734 AromaticContact CE2-CG 3.93Å; F674-F734 HydrophobicContact CE2-CG 3.93Å; F674-F734 HydrophobicContact CZ-CB 3.8Å; F674-F734 HydrophobicContact CZ-CG 4.11Å; A683-F734 HydrophobicContact CB-CD1 4.27Å; A683-F734 HydrophobicContact CB-CE1 3.86Å; A683-F734 HydrophobicContact CB-CE2 4.2Å; A683-F734 HydrophobicContact CB-CZ 3.82Å; A683-F734 WeakPolarHBondContact O-CZ 3.3Å; M686-F734 HydrophobicContact CB-CE1 4.48Å; M686-F734 HydrophobicContact CG-CE1 4.4Å; M686-F734 HydrophobicContact SD-CD1 4.25Å; M686-F734 HydrophobicContact SD-CE1 3.83Å; E687-F734 HydrophobicContact CB-CZ 4.44Å; L730-F734 WeakPolarHBondContact O-CB 3.45Å; L730-F734 PolarHBondContact O-N 2.89Å; K731-F734 WeakPolarHBondContact O-CB 3.26Å; K731-F734 PolarHBondContact O-N 3.18Å; K731-F734 VanDerWaalsContact O-N 3.15Å; E732-F734 PolarHBondContact O-N 2.96Å; F734-Q736 VanDerWaalsContact C-N 3.35Å; F734-Q736 PolarHBondContact O-N 3.22Å; F734-D737 WeakPolarHBondContact O-CB 3.44Å; F734-D737 PolarHBondContact O-N 3.44Å; F734-M738 HydrophobicContact CD1-CG 4.1Å; F734-M738 HydrophobicContact CD2-CE 4.32Å; F734-M738 HydrophobicContact CE1-CE 4.5Å; F734-M738 HydrophobicContact CE1-CG 3.69Å; F734-M738 HydrophobicContact CE1-SD 4.16Å; F734-M738 HydrophobicContact CE2-CE 3.65Å; F734-M738 HydrophobicContact CE2-CG 4.42Å; F734-M738 HydrophobicContact CE2-SD 4.29Å; F734-M738 HydrophobicContact CZ-CE 3.75Å; F734-M738 HydrophobicContact CZ-CG 3.86Å; F734-M738 HydrophobicContact CZ-SD 3.75Å; F734-M738 WeakPolarHBondContact O-CG 3.5Å; F734-M738 PolarHBondContact O-N 3.17Å
735	Q	93.1	Very high	92.8	Very high	11 Å²	11	56 Å²	56	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-38.6	178.8	-67.8	175.2	-51.3	0	0	112	M686 K731 E732 E733 M738 S739 Y749 L750	M686-Q735 HydrophobicContact SD-CG 4.19Å; K731-Q735 WeakPolarHBondContact O-CG 3.32Å; K731-Q735 PolarHBondContact O-N 2.8Å; E732-Q735 PolarHBondContact O-N 3.19Å; E733-Q735 PolarHBondContact O-N 2.92Å; Q735-M738 WeakPolarHBondContact O-CB 3.37Å; Q735-M738 PolarHBondContact O-N 3.2Å; Q735-S739 PolarHBondContact O-N 3.07Å; Q735-Y749 PolarHBondContact NE2-O 3.36Å; Q735-L750 HydrophobicContact CB-CD2 4.23Å
736	Q	92.3	Very high	92.4	Very high	88 Å²	88	52.5 Å²	52.5	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-43.2	172.1	-70.2	174.9	18.7	0	0	111.5	E732 E733 F734 M738 S739 R740	E732-Q736 VanDerWaalsContact O-CG 3.32Å; E732-Q736 WeakPolarHBondContact O-CG 3.48Å; E732-Q736 PolarHBondContact O-N 3.21Å; E733-Q736 PolarHBondContact O-N 2.92Å; F734-Q736 VanDerWaalsContact C-N 3.35Å; F734-Q736 PolarHBondContact O-N 3.22Å; Q736-M738 VanDerWaalsContact C-N 3.33Å; Q736-M738 PolarHBondContact O-N 3.04Å; Q736-S739 WeakPolarHBondContact O-CB 3.47Å; Q736-S739 PolarHBondContact O-N 2.92Å; Q736-R740 WeakPolarHBondContact O-CG 3.49Å; Q736-R740 PolarHBondContact O-N 3.18Å
737	D	93	Very high	91.7	Very high	37 Å²	37	56 Å²	56	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-36.2	176.7	-69.6	-22.1	0	0	0	112.3	R673 E733 F734 S739 R740 R741	R673-D737 IonicContact CZ-OD2 3.52Å; R673-D737 IonicContact NH1-OD2 2.67Å; R673-D737 PolarHBondContact NH1-OD2 3.34Å; R673-D737 IonicContact NH2-OD2 2.86Å; R673-D737 PolarHBondContact NH2-OD2 3.36Å; E733-D737 VanDerWaalsContact O-CG 3.25Å; E733-D737 PolarHBondContact O-N 2.85Å; F734-D737 WeakPolarHBondContact O-CB 3.44Å; F734-D737 PolarHBondContact O-N 3.44Å; D737-S739 VanDerWaalsContact C-N 3.35Å; D737-R740 PolarHBondContact O-N 3.46Å; D737-R740 IonicContact OD1-NH1 3.49Å; D737-R740 PolarHBondContact OD1-NH1 3.43Å; D737-R741 WeakPolarHBondContact O-CB 3.42Å; D737-R741 WeakPolarHBondContact O-CG 3.3Å; D737-R741 PolarHBondContact O-N 3.34Å; D737-R741 PolarHBondContact O-NE 3.41Å
738	M	93.4	Very high	91.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-44.4	171.3	-69.3	-65.3	102.4	0	0	110.7	E687 V690 F734 Q735 Q736 R740 R741 Y742 A746	E687-M738 HydrophobicContact CB-SD 4.17Å; E687-M738 HydrophobicContact CG-CE 4.36Å; E687-M738 HydrophobicContact CG-SD 4.01Å; V690-M738 HydrophobicContact CG1-SD 4.03Å; F734-M738 HydrophobicContact CD1-CG 4.1Å; F734-M738 HydrophobicContact CD2-CE 4.32Å; F734-M738 HydrophobicContact CE1-CE 4.5Å; F734-M738 HydrophobicContact CE1-CG 3.69Å; F734-M738 HydrophobicContact CE1-SD 4.16Å; F734-M738 HydrophobicContact CE2-CE 3.65Å; F734-M738 HydrophobicContact CE2-CG 4.42Å; F734-M738 HydrophobicContact CE2-SD 4.29Å; F734-M738 HydrophobicContact CZ-CE 3.75Å; F734-M738 HydrophobicContact CZ-CG 3.86Å; F734-M738 HydrophobicContact CZ-SD 3.75Å; F734-M738 WeakPolarHBondContact O-CG 3.5Å; F734-M738 PolarHBondContact O-N 3.17Å; Q735-M738 WeakPolarHBondContact O-CB 3.37Å; Q735-M738 PolarHBondContact O-N 3.2Å; Q736-M738 VanDerWaalsContact C-N 3.33Å; Q736-M738 PolarHBondContact O-N 3.04Å; M738-R740 PolarHBondContact O-N 2.9Å; M738-R741 PolarHBondContact O-N 3.39Å; M738-Y742 HydrophobicContact CB-CD2 4.5Å; M738-Y742 HydrophobicContact CE-CE2 3.9Å; M738-Y742 WeakPolarHBondContact O-CD2 3.49Å; M738-Y742 PolarHBondContact O-N 3.01Å; M738-Y742 HydrophobicContact SD-CD2 3.9Å; M738-Y742 HydrophobicContact SD-CE2 3.61Å; M738-A746 HydrophobicContact CB-CB 4.19Å; M738-A746 WeakPolarHBondContact O-CB 3.41Å
739	S	91.3	Very high	90.6	Very high	29 Å²	29	54.6 Å²	54.6	20%	0.203	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-41	176.6	-175.3	0	0	0	0	112.9	Q735 Q736 D737 G743	Q735-S739 PolarHBondContact O-N 3.07Å; Q736-S739 WeakPolarHBondContact O-CB 3.47Å; Q736-S739 PolarHBondContact O-N 2.92Å; D737-S739 VanDerWaalsContact C-N 3.35Å; S739-G743 VanDerWaalsContact O-CA 3.24Å; S739-G743 WeakPolarHBondContact O-CA 3.33Å; S739-G743 PolarHBondContact O-N 3.38Å
740	R	91.9	Very high	89.5	Confident	177 Å²	177	55.9 Å²	55.9	67%	0.668	27%	0.265	S	S	*	.	H	α-helix	trans	-65.2	-40.3	175.2	-68.6	171.4	-171.6	150.9	-0.4	112.4	Q736 D737 M738	Q736-R740 WeakPolarHBondContact O-CG 3.49Å; Q736-R740 PolarHBondContact O-N 3.18Å; D737-R740 PolarHBondContact O-N 3.46Å; D737-R740 IonicContact OD1-NH1 3.49Å; D737-R740 PolarHBondContact OD1-NH1 3.43Å; M738-R740 PolarHBondContact O-N 2.9Å
741	R	93.5	Very high	87.7	Confident	124 Å²	124	59.7 Å²	59.7	47%	0.468	29%	0.289	S	S	.	.	H	α-helix	trans	-78.5	-41.9	-176.5	-79.9	-176.7	-88.6	171.8	-10.9	113.7	E687 D737 M738	E687-R741 IonicContact OE1-NH1 3.51Å; E687-R741 PolarHBondContact OE1-NH1 3.16Å; D737-R741 WeakPolarHBondContact O-CB 3.42Å; D737-R741 WeakPolarHBondContact O-CG 3.3Å; D737-R741 PolarHBondContact O-N 3.34Å; D737-R741 PolarHBondContact O-NE 3.41Å; M738-R741 PolarHBondContact O-N 3.39Å
742	Y	92.9	Very high	85.8	Confident	67 Å²	67	60 Å²	60	26%	0.263	30%	0.298	S	S	.	.	H	α-helix	trans	-114.8	-0.6	-169.6	-56.2	-74.4	0	0	0	113.7	E687 V690 Q691 M738 F744 A745	E687-Y742 HydrophobicContact CG-CE2 4.28Å; E687-Y742 PolarHBondContact OE1-OH 3.45Å; V690-Y742 HydrophobicContact CB-CD2 4.34Å; V690-Y742 HydrophobicContact CB-CG 4.49Å; V690-Y742 HydrophobicContact CG1-CD1 4.27Å; V690-Y742 HydrophobicContact CG1-CD2 3.37Å; V690-Y742 HydrophobicContact CG1-CE1 4.39Å; V690-Y742 HydrophobicContact CG1-CE2 3.52Å; V690-Y742 HydrophobicContact CG1-CG 3.77Å; V690-Y742 HydrophobicContact CG2-CD2 3.94Å; V690-Y742 HydrophobicContact CG2-CG 3.84Å; Q691-Y742 HydrophobicContact CG-CE1 3.76Å; Q691-Y742 PolarHBondContact NE2-OH 3.38Å; M738-Y742 HydrophobicContact CB-CD2 4.5Å; M738-Y742 HydrophobicContact CE-CE2 3.9Å; M738-Y742 WeakPolarHBondContact O-CD2 3.49Å; M738-Y742 PolarHBondContact O-N 3.01Å; M738-Y742 HydrophobicContact SD-CD2 3.9Å; M738-Y742 HydrophobicContact SD-CE2 3.61Å; Y742-F744 PolarHBondContact O-N 3.44Å; Y742-A745 PolarHBondContact O-N 3.02Å
743	G	90.6	Very high	83.5	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	60.2	-125.9	172.1	0	0	0	0	0	113.3	S739 A745 A746	S739-G743 VanDerWaalsContact O-CA 3.24Å; S739-G743 WeakPolarHBondContact O-CA 3.33Å; S739-G743 PolarHBondContact O-N 3.38Å; G743-A745 VanDerWaalsContact C-N 3.29Å; G743-A745 PolarHBondContact O-N 3.01Å; G743-A746 PolarHBondContact O-N 3.48Å; G743-A746 VanDerWaalsContact O-N 3.14Å
744	F	83.3	Confident	80.9	Confident	177 Å²	177	64.9 Å²	64.9	78%	0.776	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-59.5	-36.2	-173.4	-172.2	-93.7	0	0	0	113.3	Y742 A746 L747	Y742-F744 PolarHBondContact O-N 3.44Å; F744-A746 PolarHBondContact O-N 3.27Å; F744-A746 VanDerWaalsContact O-N 3.14Å; F744-L747 HydrophobicContact CB-CD1 4.47Å; F744-L747 HydrophobicContact CD2-CD1 3.46Å; F744-L747 VanDerWaalsContact CD2-CD1 3.46Å; F744-L747 HydrophobicContact CE2-CD1 3.9Å; F744-L747 HydrophobicContact CG-CD1 4.15Å; F744-L747 WeakPolarHBondContact O-CB 3.29Å; F744-L747 PolarHBondContact O-N 3.27Å; F744-L747 VanDerWaalsContact O-N 3.12Å
745	A	84.1	Confident	78	Confident	36 Å²	36	72.3 Å²	72.3	30%	0.298	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.2	-27.5	179.7	0	0	0	0	0	112.9	V690 Y742 G743	V690-A745 HydrophobicContact CG2-CB 4Å; Y742-A745 PolarHBondContact O-N 3.02Å; G743-A745 VanDerWaalsContact C-N 3.29Å; G743-A745 PolarHBondContact O-N 3.01Å
746	A	86.5	Confident	75.1	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-91.5	-9.4	-178.3	0	0	0	0	0	114.6	V690 M738 G743 F744 K748 Y749	V690-A746 HydrophobicContact CG2-CB 3.78Å; M738-A746 HydrophobicContact CB-CB 4.19Å; M738-A746 WeakPolarHBondContact O-CB 3.41Å; G743-A746 PolarHBondContact O-N 3.48Å; G743-A746 VanDerWaalsContact O-N 3.14Å; F744-A746 PolarHBondContact O-N 3.27Å; F744-A746 VanDerWaalsContact O-N 3.14Å; A746-K748 PolarHBondContact O-N 3.42Å; A746-Y749 HydrophobicContact CB-CD2 4.04Å; A746-Y749 HydrophobicContact CB-CE2 4.25Å; A746-Y749 WeakPolarHBondContact O-CD2 3.49Å; A746-Y749 PolarHBondContact O-N 3.17Å; A746-Y749 VanDerWaalsContact O-N 3.08Å
747	L	80.6	Confident	74.2	Confident	75 Å²	75	78.6 Å²	78.6	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-30.5	-175.2	-70.2	176.5	0	0	0	112.7	F744 Y749 L750 T751	F744-L747 HydrophobicContact CB-CD1 4.47Å; F744-L747 HydrophobicContact CD2-CD1 3.46Å; F744-L747 VanDerWaalsContact CD2-CD1 3.46Å; F744-L747 HydrophobicContact CE2-CD1 3.9Å; F744-L747 HydrophobicContact CG-CD1 4.15Å; F744-L747 WeakPolarHBondContact O-CB 3.29Å; F744-L747 PolarHBondContact O-N 3.27Å; F744-L747 VanDerWaalsContact O-N 3.12Å; L747-Y749 PolarHBondContact O-N 2.97Å; L747-Y749 VanDerWaalsContact O-N 3.12Å; L747-L750 HydrophobicContact CD2-CD1 4.27Å; L747-L750 PolarHBondContact O-N 3.04Å; L747-L750 VanDerWaalsContact O-N 3.12Å; L747-T751 PolarHBondContact O-N 2.96Å; L747-T751 PolarHBondContact O-OG1 3.2Å
748	K	83.7	Confident	73.3	Confident	97 Å²	97	80.7 Å²	80.7	42%	0.422	42%	0.424	S	S	.	.	H	α-helix	trans	-59.1	-23.2	177.7	68.8	-176.6	-176.4	177.4	0	113.4	D689 A746 T751	D689-K748 IonicContact OD1-NZ 3.5Å; D689-K748 PolarHBondContact OD1-NZ 3.17Å; D689-K748 WeakPolarHBondContact OD2-CE 3.3Å; D689-K748 IonicContact OD2-NZ 2.62Å; D689-K748 PolarHBondContact OD2-NZ 3Å; A746-K748 PolarHBondContact O-N 3.42Å; K748-T751 PolarHBondContact O-OG1 3.47Å
749	Y	83.6	Confident	72.1	Confident	1 Å²	1	85.2 Å²	85.2	0%	0.004	45%	0.448	C	S	.	.	H	α-helix	trans	-85	-24.6	179.3	-47.7	-55.7	0	0	0	113.7	W653 M686 D689 V690 Q735 A746 L747	W653-Y749 HydrophobicContact CD2-CE1 4.18Å; W653-Y749 HydrophobicContact CE3-CD1 4.43Å; W653-Y749 AromaticContact CE3-CE1 3.86Å; W653-Y749 HydrophobicContact CE3-CE1 3.86Å; W653-Y749 AromaticContact CH2-CD1 3.43Å; W653-Y749 HydrophobicContact CH2-CD1 3.43Å; W653-Y749 VanDerWaalsContact CH2-CD1 3.43Å; W653-Y749 AromaticContact CH2-CE1 3.55Å; W653-Y749 HydrophobicContact CH2-CE1 3.55Å; W653-Y749 HydrophobicContact CZ2-CD1 4.05Å; W653-Y749 AromaticContact CZ2-CE1 3.87Å; W653-Y749 HydrophobicContact CZ2-CE1 3.87Å; W653-Y749 AromaticContact CZ3-CD1 3.65Å; W653-Y749 HydrophobicContact CZ3-CD1 3.65Å; W653-Y749 AromaticContact CZ3-CE1 3.54Å; W653-Y749 HydrophobicContact CZ3-CE1 3.54Å; M686-Y749 HydrophobicContact CE-CD1 4.04Å; M686-Y749 HydrophobicContact CE-CG 4.32Å; M686-Y749 HydrophobicContact CG-CD1 3.96Å; M686-Y749 HydrophobicContact CG-CD2 4.19Å; M686-Y749 HydrophobicContact CG-CE1 3.79Å; M686-Y749 HydrophobicContact CG-CE2 4.04Å; M686-Y749 HydrophobicContact CG-CG 4.16Å; M686-Y749 PolarHBondContact O-OH 3.46Å; M686-Y749 HydrophobicContact SD-CD1 4.09Å; M686-Y749 HydrophobicContact SD-CD2 4.23Å; M686-Y749 HydrophobicContact SD-CG 3.93Å; D689-Y749 VanDerWaalsContact CG-OH 3.23Å; D689-Y749 WeakPolarHBondContact OD2-CE1 3.26Å; D689-Y749 PolarHBondContact OD2-OH 3Å; V690-Y749 WeakPolarHBondContact CA-OH 3.32Å; V690-Y749 HydrophobicContact CB-CE2 3.74Å; V690-Y749 HydrophobicContact CG2-CE2 3.73Å; V690-Y749 PolarHBondContact N-OH 3.26Å; V690-Y749 VanDerWaalsContact N-OH 3.1Å; Q735-Y749 PolarHBondContact NE2-O 3.36Å; A746-Y749 HydrophobicContact CB-CD2 4.04Å; A746-Y749 HydrophobicContact CB-CE2 4.25Å; A746-Y749 WeakPolarHBondContact O-CD2 3.49Å; A746-Y749 PolarHBondContact O-N 3.17Å; A746-Y749 VanDerWaalsContact O-N 3.08Å; L747-Y749 PolarHBondContact O-N 2.97Å; L747-Y749 VanDerWaalsContact O-N 3.12Å
750	L	72.6	Confident	71	Confident	71 Å²	71	88.5 Å²	88.5	37%	0.372	46%	0.462	S	S	.	.	H	α-helix	trans	-78.5	-31.8	178.5	-64.7	175.3	0	0	0	111.7	Q735 L747	Q735-L750 HydrophobicContact CB-CD2 4.23Å; L747-L750 HydrophobicContact CD2-CD1 4.27Å; L747-L750 PolarHBondContact O-N 3.04Å; L747-L750 VanDerWaalsContact O-N 3.12Å
751	T	57.8	Low	69.7	Low	85 Å²	85	83 Å²	83	52%	0.521	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.6	179.2	43.1	0	0	0	0	114.2	L747 K748 E753 N754	L747-T751 PolarHBondContact O-N 2.96Å; L747-T751 PolarHBondContact O-OG1 3.2Å; K748-T751 PolarHBondContact O-OG1 3.47Å; T751-E753 PolarHBondContact O-N 3.09Å; T751-N754 PolarHBondContact O-N 3.04Å
752	A	53.4	Low	68.1	Low	41 Å²	41	80.3 Å²	80.3	34%	0.339	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.6	-176.4	0	0	0	0	0	113.6	S756	A752-S756 PolarHBondContact O-OG 3.43Å
753	E	46.7	Very low	66.4	Low	66 Å²	66	81.2 Å²	81.2	31%	0.308	46%	0.461	S	S	.	.	S	Bend	trans	-88.4	-24.8	178.4	-70.5	-159.7	155.1	0	0	114.5	K731 T751 N755 S756	K731-E753 VanDerWaalsContact CE-OE1 3.29Å; K731-E753 WeakPolarHBondContact CE-OE1 3.47Å; K731-E753 IonicContact NZ-OE1 3Å; K731-E753 PolarHBondContact NZ-OE1 2.65Å; T751-E753 PolarHBondContact O-N 3.09Å; E753-N755 PolarHBondContact O-N 3.49Å; E753-N755 VanDerWaalsContact O-N 3.1Å; E753-S756 PolarHBondContact O-N 3.09Å
754	N	39.4	Very low	64.5	Low	147 Å²	147	84.9 Å²	84.9	79%	0.786	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.6	179.3	-83.8	-8.4	0	0	0	113.8	T751	T751-N754 PolarHBondContact O-N 3.04Å
755	N	34.1	Very low	62.9	Low	156 Å²	156	77.3 Å²	77.3	83%	0.834	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	13.2	-178.8	-71.7	-24.1	0	0	0	113.7	E753	E753-N755 PolarHBondContact O-N 3.49Å; E753-N755 VanDerWaalsContact O-N 3.1Å
756	S	32.7	Very low	61	Low	152 Å²	152	81 Å²	81	100%	1.063	46%	0.458	S	S	*	.			trans	-118	0	179.8	39.1	0	0	0	0	115.6	A752 E753	A752-S756 PolarHBondContact O-OG 3.43Å; E753-S756 PolarHBondContact O-N 3.09Å

Retrieved 756 of 756 residues in 2286 ms (Link to these results)

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