A0A077YY99_TRITR Loading...

Ribosomal RNA methyltransferase NOP2

AlphaFold DB , UniProt , Accession A0A077YY99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 467 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.9	Very low	31	Very low	247 Å²	247	171.5 Å²	171.5	100%	1.217	84%	0.841	S	S	*	*				0	112.4	0	-77.2	171.4	176.8	0	0	107.2
2	D	35.9	Very low	31.2	Very low	133 Å²	133	166.1 Å²	166.1	71%	0.711	81%	0.81	S	S	*	*			trans	160.8	94.2	143.7	-162	1.1	0	0	0	108.8	S4	D2-S4 PolarHBondContact OD1-N 3.23Å; D2-S4 PolarHBondContact OD1-OG 3.35Å
3	K	34.8	Very low	31.6	Very low	220 Å²	220	161.7 Å²	161.7	96%	0.957	81%	0.806	S	S	*	*			trans	-127.5	60.9	167.5	-79.9	-170.4	177.5	179.9	0	107.6
4	S	34.5	Very low	31.8	Very low	94 Å²	94	156.1 Å²	156.1	66%	0.657	78%	0.78	S	S	*	*			trans	-120.3	58.7	177.9	66.3	0	0	0	0	112.3	D2	D2-S4 PolarHBondContact OD1-N 3.23Å; D2-S4 PolarHBondContact OD1-OG 3.35Å
5	K	35.9	Very low	32.1	Very low	206 Å²	206	150 Å²	150	90%	0.896	75%	0.754	S	S	*	*			trans	-132.4	57.9	165.3	-75.2	-172.4	179.9	173.6	0	111.3	K7	K5-K7 PolarHBondContact O-N 2.92Å
6	Q	28.3	Very low	32.4	Very low	199 Å²	199	145.2 Å²	145.2	93%	0.93	74%	0.735	S	S	*	*			trans	-80.3	91.9	165.6	-130.5	164.5	-1.3	0	0	107.7	A8	Q6-A8 PolarHBondContact O-N 3.45Å; Q6-A8 VanDerWaalsContact O-N 3.15Å
7	K	29.9	Very low	32.1	Very low	196 Å²	196	145.2 Å²	145.2	85%	0.852	73%	0.732	S	S	*	*			trans	-57.6	116.2	170.9	-79.3	-179.2	174	178.6	0	108.3	K5 R9	K5-K7 PolarHBondContact O-N 2.92Å; K7-R9 PolarHBondContact O-N 3.24Å
8	A	29.5	Very low	32.1	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	73%	0.727	S	S	*	*			trans	-60.5	101.5	173.4	0	0	0	0	0	109.8	Q6 V10	Q6-A8 PolarHBondContact O-N 3.45Å; Q6-A8 VanDerWaalsContact O-N 3.15Å; A8-V10 PolarHBondContact O-N 2.98Å
9	R	25.9	Very low	31.8	Very low	228 Å²	228	145.1 Å²	145.1	86%	0.86	73%	0.73	S	S	*	*			trans	-73.4	105.2	163.7	-87.4	179	159.6	159.1	-5.8	107.2	K7 H11	K7-R9 PolarHBondContact O-N 3.24Å; R9-H11 PolarHBondContact O-N 3.49Å; R9-H11 VanDerWaalsContact O-N 3.17Å
10	V	28.3	Very low	31.4	Very low	102 Å²	102	141.8 Å²	141.8	62%	0.618	74%	0.735	S	S	*	*			trans	-72.1	105.4	171.2	-178.9	0	0	0	0	107.6	A8 F12	A8-V10 PolarHBondContact O-N 2.98Å; V10-F12 HydrophobicContact CB-CD2 4.45Å; V10-F12 HydrophobicContact CB-CE2 3.93Å; V10-F12 HydrophobicContact CB-CZ 4.39Å; V10-F12 HydrophobicContact CG1-CD2 4.05Å; V10-F12 HydrophobicContact CG1-CE1 4.22Å; V10-F12 HydrophobicContact CG1-CE2 3.6Å; V10-F12 HydrophobicContact CG1-CZ 3.69Å; V10-F12 WeakPolarHBondContact O-CD2 3.36Å; V10-F12 PolarHBondContact O-N 2.92Å
11	H	25.4	Very low	31	Very low	169 Å²	169	138.7 Å²	138.7	78%	0.782	74%	0.738	S	S	*	*			trans	-71.4	113.3	171.3	-91.4	-70.9	0	0	0	109.6	R9	R9-H11 PolarHBondContact O-N 3.49Å; R9-H11 VanDerWaalsContact O-N 3.17Å
12	F	33	Very low	30.5	Very low	106 Å²	106	136.6 Å²	136.6	47%	0.465	72%	0.722	S	S	.	*			trans	-95	90	172.7	-71.1	-86.6	0	0	0	110	V10 N14 V15 K313	V10-F12 HydrophobicContact CB-CD2 4.45Å; V10-F12 HydrophobicContact CB-CE2 3.93Å; V10-F12 HydrophobicContact CB-CZ 4.39Å; V10-F12 HydrophobicContact CG1-CD2 4.05Å; V10-F12 HydrophobicContact CG1-CE1 4.22Å; V10-F12 HydrophobicContact CG1-CE2 3.6Å; V10-F12 HydrophobicContact CG1-CZ 3.69Å; V10-F12 WeakPolarHBondContact O-CD2 3.36Å; V10-F12 PolarHBondContact O-N 2.92Å; F12-N14 PolarHBondContact O-N 3.27Å; F12-V15 HydrophobicContact CB-CB 4.39Å; F12-V15 HydrophobicContact CB-CG2 3.58Å; F12-V15 HydrophobicContact CD1-CG2 4.18Å; F12-V15 HydrophobicContact CG-CG2 4.06Å; F12-K313 HydrophobicContact CE1-CD 4.36Å
13	S	36.5	Very low	30.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-4.4	178.2	39.6	0	0	0	0	115.4
14	N	34.3	Very low	29.9	Very low	83 Å²	83	134.3 Å²	134.3	44%	0.444	72%	0.717	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.1	27.7	-177.2	-66.5	6.8	0	0	0	113.8	F12 S305	F12-N14 PolarHBondContact O-N 3.27Å; N14-S305 PolarHBondContact ND2-O 3.35Å
15	V	36.2	Very low	29.6	Very low	65 Å²	65	138.7 Å²	138.7	39%	0.394	73%	0.728	S	S	.	*	B	Isolated β-bridge	trans	-88	123.9	171.2	169.8	0	0	0	0	108	F12 E17	F12-V15 HydrophobicContact CB-CB 4.39Å; F12-V15 HydrophobicContact CB-CG2 3.58Å; F12-V15 HydrophobicContact CD1-CG2 4.18Å; F12-V15 HydrophobicContact CG-CG2 4.06Å; V15-E17 PolarHBondContact O-N 3.14Å
16	V	37.4	Very low	29.4	Very low	73 Å²	73	137.5 Å²	137.5	44%	0.442	73%	0.725	S	S	.	*			trans	-78.1	102.9	168	-179.1	0	0	0	0	106.3	V18	V16-V18 PolarHBondContact O-N 3.45Å
17	E	27.5	Very low	29.4	Very low	146 Å²	146	131.6 Å²	131.6	68%	0.682	71%	0.711	S	S	*	*			trans	-65.5	120.9	172.2	-77.5	-174.4	160	0	0	109.6	V15 F19	V15-E17 PolarHBondContact O-N 3.14Å; E17-F19 HydrophobicContact CB-CE2 4.41Å
18	V	31.9	Very low	29.2	Very low	108 Å²	108	131.5 Å²	131.5	66%	0.655	71%	0.71	S	S	*	*			trans	-93.4	97.9	175.9	-176.8	0	0	0	0	107.5	V16 G20	V16-V18 PolarHBondContact O-N 3.45Å; V18-G20 PolarHBondContact O-N 3Å
19	F	25.9	Very low	29	Very low	179 Å²	179	136.2 Å²	136.2	79%	0.785	71%	0.713	S	S	*	*			trans	-66.7	123.9	173	-78.5	-86.5	0	0	0	110.6	E17	E17-F19 HydrophobicContact CB-CE2 4.41Å
20	G	23.1	Very low	29.1	Very low	80 Å²	80	129.8 Å²	129.8	83%	0.825	71%	0.709	S	S	*	*			trans	-81.2	135.5	160.4	0	0	0	0	0	110.2	V18	V18-G20 PolarHBondContact O-N 3Å
21	G	23.1	Very low	29	Very low	77 Å²	77	129.6 Å²	129.6	79%	0.794	72%	0.719	S	S	*	*			trans	177.2	88.3	178.2	0	0	0	0	0	115.4
22	K	23.6	Very low	28.9	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	72%	0.724	S	S	*	*			trans	16	115.5	148.4	-63.4	178.7	176.4	-179.3	0	118.7
23	K	26.4	Very low	28.5	Very low	210 Å²	210	131.6 Å²	131.6	91%	0.913	74%	0.738	S	S	*	*				167.9	102.7	124.4	-93.3	176.2	-177.3	-172.5	0	109.8
24	S	31	Very low	28.2	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	74%	0.741	S	S	*	*			trans	-155.8	54.3	155.2	73.9	0	0	0	0	110.6	E26 A27	S24-E26 PolarHBondContact O-N 2.83Å; S24-A27 PolarHBondContact O-N 3.05Å
25	E	29.4	Very low	27.6	Very low	187 Å²	187	137.2 Å²	137.2	87%	0.874	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-6.3	166.6	-96.3	-179	158.6	0	0	112.6
26	E	30.9	Very low	27.1	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-14.6	176.3	-69.6	-178.8	156.5	0	0	113.9	S24 F28	S24-E26 PolarHBondContact O-N 2.83Å; E26-F28 PolarHBondContact O-N 3.34Å
27	A	29	Very low	26.3	Very low	75 Å²	75	144 Å²	144	62%	0.62	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-16.2	175	0	0	0	0	0	112.9	S24	S24-A27 PolarHBondContact O-N 3.05Å
28	F	25.1	Very low	26.2	Very low	193 Å²	193	143.7 Å²	143.7	85%	0.846	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.2	-174.2	-134.7	-95	0	0	0	114.5	E26	E26-F28 PolarHBondContact O-N 3.34Å
29	K	25.9	Very low	25.8	Very low	192 Å²	192	147.7 Å²	147.7	84%	0.835	82%	0.821	S	S	*	*	S	Bend	trans	-98.3	-7.4	-177.5	-86.1	-174.7	176.9	177.3	0	115.9
30	A	27.9	Very low	25.6	Very low	94 Å²	94	151.2 Å²	151.2	78%	0.777	83%	0.829	S	S	*	*	S	Bend	trans	-94.8	-2.1	-176.7	0	0	0	0	0	115.2
31	A	26.2	Very low	25.8	Very low	98 Å²	98	152.1 Å²	152.1	81%	0.81	83%	0.828	S	S	*	*			trans	-92.3	10.6	-176.7	0	0	0	0	0	115
32	K	22.3	Very low	26	Very low	206 Å²	206	153.3 Å²	153.3	90%	0.896	83%	0.83	S	S	*	*			trans	-102.8	80.4	172.2	-82.6	-171.9	175.6	-177.7	0	110.5
33	S	24.8	Very low	26	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	83%	0.828	S	S	*	*			trans	173.3	111.3	147.3	-172.5	0	0	0	0	107.8
34	V	29.9	Very low	26.1	Very low	135 Å²	135	144.3 Å²	144.3	82%	0.818	82%	0.82	S	S	*	*			trans	174.4	98.5	130.6	171.3	0	0	0	0	105.2
35	N	23.2	Very low	25.7	Very low	175 Å²	175	145 Å²	145	94%	0.936	82%	0.822	S	S	*	*			trans	-77.2	125.4	164.5	-83.2	-22.6	0	0	0	108.1
36	G	25.4	Very low	25.7	Very low	65 Å²	65	140.1 Å²	140.1	67%	0.67	81%	0.805	S	S	*	*			trans	-148.3	113.4	168.9	0	0	0	0	0	109
37	K	20.1	Very low	25.5	Very low	217 Å²	217	138.6 Å²	138.6	94%	0.943	80%	0.803	S	S	*	*			trans	-64.6	126.6	179.5	-69.1	172.7	173.2	177.6	0	109.5
38	V	25.7	Very low	25.3	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	81%	0.809	S	S	*	*			trans	-124.9	131.1	162.1	-178.4	0	0	0	0	107.3
39	E	22.8	Very low	25.4	Very low	191 Å²	191	140.3 Å²	140.3	89%	0.893	81%	0.81	S	S	*	*			trans	-62.7	143.4	-172.8	-76.1	173.3	140.5	0	0	112.7	A41	E39-A41 PolarHBondContact O-N 3.4Å
40	R	22.4	Very low	25.5	Very low	254 Å²	254	138.6 Å²	138.6	96%	0.958	81%	0.811	S	S	*	*			trans	-73	113.1	-177	-74	172.9	163.7	173.6	-6.8	110.1
41	A	27.4	Very low	25.4	Very low	99 Å²	99	143.2 Å²	143.2	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.1	139.6	155.7	0	0	0	0	0	109.2	E39	E39-A41 PolarHBondContact O-N 3.4Å
42	A	26	Very low	25.2	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.8	134	-168.4	0	0	0	0	0	113.5
43	A	23.9	Very low	25.4	Very low	100 Å²	100	143.2 Å²	143.2	83%	0.826	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-73	124.8	174.6	0	0	0	0	0	110
44	V	28.8	Very low	25.3	Very low	125 Å²	125	143.9 Å²	143.9	76%	0.758	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.1	133	163.4	179.7	0	0	0	0	107.4
45	P	23.4	Very low	25.1	Very low	107 Å²	107	146.6 Å²	146.6	70%	0.695	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.9	138.1	-176.6	1.4	11.2	0	0	0	109.6
46	V	29.5	Very low	25	Very low	85 Å²	85	142 Å²	142	52%	0.515	81%	0.806	S	S	.	*			trans	-113.1	107.3	167.8	-178.5	0	0	0	0	104.8	D48	V46-D48 PolarHBondContact O-N 3.34Å
47	D	26.7	Very low	24.9	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	82%	0.815	S	S	*	*			trans	-63.9	116.5	172.4	-68.7	-43.5	0	0	0	108.3
48	D	23.7	Very low	25	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	81%	0.811	S	S	*	*			trans	-90.4	101.5	166.6	-77.4	-35.9	0	0	0	105.9	V46	V46-D48 PolarHBondContact O-N 3.34Å
49	D	28.3	Very low	24.9	Very low	162 Å²	162	144.3 Å²	144.3	87%	0.866	81%	0.813	S	S	*	*			trans	-132.8	119.5	156.5	-86	-40.7	0	0	0	109.1
50	D	26.9	Very low	25.2	Very low	157 Å²	157	143.5 Å²	143.5	84%	0.84	81%	0.809	S	S	*	*			trans	-61.8	134	168.8	-68.4	-61.3	0	0	0	110.1
51	E	25.3	Very low	25.2	Very low	190 Å²	190	138.8 Å²	138.8	89%	0.888	80%	0.803	S	S	*	*				176.8	142.8	111.8	-94.2	-177.5	177	0	0	110.8
52	V	23.4	Very low	25.2	Very low	132 Å²	132	143.4 Å²	143.4	80%	0.8	81%	0.805	S	S	*	*			trans	-73	117.1	175.2	-94.2	0	0	0	0	108.7
53	D	26.3	Very low	25.2	Very low	173 Å²	173	146.2 Å²	146.2	93%	0.925	81%	0.806	S	S	*	*			trans	-159.8	158.2	147.3	-97	-26.9	0	0	0	113.9
54	D	23.4	Very low	25.2	Very low	124 Å²	124	150.3 Å²	150.3	66%	0.663	81%	0.808	S	S	*	*			trans	-92.2	147	-158.4	-166.2	23.9	0	0	0	112.5
55	F	23.7	Very low	25	Very low	191 Å²	191	152.6 Å²	152.6	84%	0.838	81%	0.81	S	S	*	*			trans	46.1	107.7	170.9	-63.2	-73	0	0	0	120.3
56	G	21.9	Very low	25	Very low	78 Å²	78	153.8 Å²	153.8	80%	0.804	82%	0.816	S	S	*	*			trans	-177.1	113.2	156.9	0	0	0	0	0	110.9	E58	G56-E58 PolarHBondContact O-N 3.41Å
57	S	22.7	Very low	24.8	Very low	121 Å²	121	159.1 Å²	159.1	85%	0.846	83%	0.832	S	S	*	*			trans	-75.7	109.7	173.1	48.9	0	0	0	0	109.6
58	E	23.5	Very low	24.7	Very low	186 Å²	186	157.1 Å²	157.1	87%	0.869	83%	0.83	S	S	*	*			trans	-136.1	128.3	157.8	-69.3	-170.1	166.9	0	0	108.8	G56	G56-E58 PolarHBondContact O-N 3.41Å
59	D	23.4	Very low	24.8	Very low	164 Å²	164	158 Å²	158	88%	0.877	84%	0.835	S	S	*	*			trans	-69.8	123.2	179	-62.9	-62	0	0	0	108.9
60	E	27.7	Very low	24.6	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	83%	0.828	S	S	*	*			trans	-111.7	112.1	165.4	-76.8	-168.8	173.5	0	0	109.7	F62	E60-F62 PolarHBondContact O-N 3.41Å
61	D	23.5	Very low	24.5	Very low	156 Å²	156	152 Å²	152	83%	0.834	82%	0.824	S	S	*	*			trans	-63.2	109.9	174.3	-69.9	-44.9	0	0	0	110.6	N63	D61-N63 PolarHBondContact O-N 3.38Å
62	F	28	Very low	24.6	Very low	196 Å²	196	150.2 Å²	150.2	86%	0.86	82%	0.821	S	S	*	*			trans	-80.3	111.3	165.9	-90.9	-94.1	0	0	0	109.3	E60 E64	E60-F62 PolarHBondContact O-N 3.41Å; F62-E64 PolarHBondContact O-N 2.97Å
63	N	25	Very low	24.7	Very low	159 Å²	159	151.5 Å²	151.5	85%	0.85	82%	0.823	S	S	*	*			trans	-54.3	124.8	173.1	-83.9	-40.4	0	0	0	111.8	D61 E65	D61-N63 PolarHBondContact O-N 3.38Å; N63-E65 PolarHBondContact O-N 3.02Å
64	E	24.3	Very low	24.8	Very low	186 Å²	186	146.1 Å²	146.1	87%	0.869	81%	0.809	S	S	*	*			trans	-66.9	104.5	166.8	-84.1	179.1	152.1	0	0	109.9	F62 T66	F62-E64 PolarHBondContact O-N 2.97Å; E64-T66 PolarHBondContact O-N 2.8Å
65	E	25.3	Very low	24.9	Very low	174 Å²	174	149.5 Å²	149.5	81%	0.813	82%	0.821	S	S	*	*			trans	-75.5	105.4	157.6	-76.5	-170.4	170	0	0	108.8	N63 F67	N63-E65 PolarHBondContact O-N 3.02Å; E65-F67 PolarHBondContact O-N 2.81Å; E65-F67 VanDerWaalsContact O-N 3.17Å
66	T	22.1	Very low	25.1	Very low	132 Å²	132	143.5 Å²	143.5	81%	0.81	81%	0.813	S	S	*	*			trans	-55.5	107.2	171.9	45.9	0	0	0	0	111.2	E64	E64-T66 PolarHBondContact O-N 2.8Å
67	F	26.5	Very low	25.2	Very low	196 Å²	196	148.9 Å²	148.9	86%	0.86	82%	0.817	S	S	*	*			trans	-86.7	118.8	156.2	-94.3	-91.7	0	0	0	108.2	E65	E65-F67 PolarHBondContact O-N 2.81Å; E65-F67 VanDerWaalsContact O-N 3.17Å
68	S	24.6	Very low	25.5	Very low	108 Å²	108	150.3 Å²	150.3	76%	0.755	81%	0.813	S	S	*	*			trans	-57.3	137.5	-178	53.5	0	0	0	0	113.2	G70	S68-G70 PolarHBondContact O-N 3.45Å
69	D	24.2	Very low	25.4	Very low	159 Å²	159	146.5 Å²	146.5	85%	0.85	81%	0.807	S	S	*	*			trans	-46.6	112.3	166.7	-97.3	-31.8	0	0	0	111.7
70	G	25.8	Very low	25.5	Very low	71 Å²	71	145.7 Å²	145.7	73%	0.732	80%	0.802	S	S	*	*			trans	-97.3	96.6	153.3	0	0	0	0	0	107.5	S68 D72	S68-G70 PolarHBondContact O-N 3.45Å; G70-D72 PolarHBondContact O-N 3.4Å; G70-D72 VanDerWaalsContact O-N 3.17Å
71	T	23.1	Very low	25.4	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	80%	0.804	S	S	*	*			trans	-62	107.3	162.9	43	0	0	0	0	108.3
72	D	28	Very low	25.6	Very low	154 Å²	154	145.8 Å²	145.8	82%	0.824	81%	0.805	S	S	*	*			trans	-127.4	95.8	160.6	-156.2	10.2	0	0	0	106.9	G70 G74	G70-D72 PolarHBondContact O-N 3.4Å; G70-D72 VanDerWaalsContact O-N 3.17Å; D72-G74 PolarHBondContact O-N 3.46Å
73	D	26.1	Very low	25.6	Very low	158 Å²	158	143.8 Å²	143.8	85%	0.845	80%	0.803	S	S	*	*			trans	-69.8	71.4	171.6	-69.6	-44	0	0	0	108.5	E75	D73-E75 PolarHBondContact O-N 3.29Å
74	G	27.3	Very low	25.7	Very low	61 Å²	61	144.6 Å²	144.6	63%	0.629	80%	0.802	S	S	*	*			trans	-90	93.9	170.8	0	0	0	0	0	109.6	D72 G76	D72-G74 PolarHBondContact O-N 3.46Å; G74-G76 PolarHBondContact O-N 3.43Å
75	E	26.5	Very low	25.9	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	80%	0.795	S	S	*	*			trans	-56.8	92.8	161.3	-67.7	-176.5	166.1	0	0	108.2	D73 E77	D73-E75 PolarHBondContact O-N 3.29Å; E75-E77 PolarHBondContact O-N 3.41Å
76	G	27	Very low	25.9	Very low	65 Å²	65	141.1 Å²	141.1	67%	0.67	80%	0.797	S	S	*	*			trans	-69.3	95.8	177	0	0	0	0	0	109.8	G74 I78	G74-G76 PolarHBondContact O-N 3.43Å; G76-I78 PolarHBondContact O-N 3.28Å; G76-I78 VanDerWaalsContact O-N 3.11Å
77	E	24.9	Very low	26.2	Very low	191 Å²	191	141 Å²	141	89%	0.893	80%	0.796	S	S	*	*			trans	-56.6	111.3	163.5	-77.2	-173.7	156.4	0	0	109.1	E75 S79	E75-E77 PolarHBondContact O-N 3.41Å; E77-S79 PolarHBondContact O-N 2.7Å
78	I	28.7	Very low	26.1	Very low	151 Å²	151	136.4 Å²	136.4	77%	0.774	80%	0.795	S	S	*	*			trans	-84.1	93.1	175.7	-58.1	174.5	0	0	0	107.7	G76 L80	G76-I78 PolarHBondContact O-N 3.28Å; G76-I78 VanDerWaalsContact O-N 3.11Å; I78-L80 PolarHBondContact O-N 3.22Å
79	S	22.5	Very low	26.1	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	80%	0.799	S	S	*	*			trans	-76.3	106.7	170.5	52.2	0	0	0	0	110.5	E77 N81	E77-S79 PolarHBondContact O-N 2.7Å; S79-N81 PolarHBondContact O-N 2.92Å
80	L	25.5	Very low	26	Very low	146 Å²	146	134.8 Å²	134.8	76%	0.764	80%	0.795	S	S	*	*			trans	-77.4	110.1	171.4	-73.9	166.4	0	0	0	109.9	I78 M82	I78-L80 PolarHBondContact O-N 3.22Å; L80-M82 PolarHBondContact O-N 2.58Å
81	N	23.9	Very low	26.2	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	80%	0.796	S	S	*	*			trans	-68.1	99.7	167.6	-91.6	-11.2	0	0	0	109.7	S79 N83	S79-N81 PolarHBondContact O-N 2.92Å; N81-N83 PolarHBondContact O-N 3.1Å
82	M	29	Very low	26.3	Very low	171 Å²	171	134.7 Å²	134.7	84%	0.842	80%	0.802	S	S	*	*			trans	-78.8	114.5	163.3	-73.2	-164.2	63.1	0	0	108.9	L80 E84	L80-M82 PolarHBondContact O-N 2.58Å; M82-E84 PolarHBondContact O-N 3.13Å; M82-E84 VanDerWaalsContact O-N 3.17Å
83	N	27.5	Very low	26.3	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	80%	0.802	S	S	*	*			trans	-61.8	116.1	164.2	-77.7	-19.6	0	0	0	108.3	N81 S85	N81-N83 PolarHBondContact O-N 3.1Å; N83-S85 PolarHBondContact O-N 3.3Å
84	E	27.3	Very low	26.5	Very low	176 Å²	176	138.4 Å²	138.4	82%	0.822	81%	0.806	S	S	*	*			trans	-57.6	98.8	170.7	-67.3	174.9	154.1	0	0	109.2	M82 E86	M82-E84 PolarHBondContact O-N 3.13Å; M82-E84 VanDerWaalsContact O-N 3.17Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.06Å
85	S	28.9	Very low	26.9	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	81%	0.805	S	S	*	*			trans	-76.6	94.7	158.2	56.5	0	0	0	0	107.1	N83 T87	N83-S85 PolarHBondContact O-N 3.3Å; S85-T87 PolarHBondContact O-N 3.22Å
86	E	25.6	Very low	27.9	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	80%	0.801	S	S	*	*			trans	-59	103.3	168.6	-67.2	-177.4	153.7	0	0	109.5	E84	E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.06Å
87	T	26.6	Very low	29	Very low	128 Å²	128	138 Å²	138	79%	0.785	81%	0.807	S	S	*	*			trans	-108.5	113.7	157.4	47	0	0	0	0	108.6	S85 D89	S85-T87 PolarHBondContact O-N 3.22Å; T87-D89 PolarHBondContact O-N 3.15Å
88	A	24.3	Very low	30.8	Very low	101 Å²	101	134.1 Å²	134.1	84%	0.835	79%	0.792	S	S	*	*			trans	-49.7	119.8	160.4	0	0	0	0	0	110.3
89	D	25.5	Very low	33.4	Very low	157 Å²	157	130.5 Å²	130.5	84%	0.84	77%	0.774	S	S	*	*				-174.9	136	104.1	-138.8	-13.6	0	0	0	109.7	T87 S91	T87-D89 PolarHBondContact O-N 3.15Å; D89-S91 PolarHBondContact O-N 3.08Å
90	G	23.1	Very low	36.2	Very low	75 Å²	75	130.2 Å²	130.2	77%	0.773	76%	0.764	S	S	*	*			trans	-73	108.6	-178	0	0	0	0	0	111.6
91	S	29.1	Very low	39.1	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	75%	0.754	S	S	*	*			trans	-149.3	102	149	56.9	0	0	0	0	109.2	D89 K93	D89-S91 PolarHBondContact O-N 3.08Å; S91-K93 PolarHBondContact O-N 2.88Å
92	G	25	Very low	42.1	Very low	84 Å²	84	125.6 Å²	125.6	87%	0.866	74%	0.74	S	S	*	*			trans	-59.2	104.4	177	0	0	0	0	0	111
93	K	28.3	Very low	44.9	Very low	194 Å²	194	117.6 Å²	117.6	84%	0.843	70%	0.7	S	S	*	*			trans	-113.5	112.3	143.4	-70.9	-175.2	179.8	178	0	104.6	S91 G95	S91-K93 PolarHBondContact O-N 2.88Å; K93-G95 PolarHBondContact O-N 2.93Å
94	E	30.2	Very low	47.7	Very low	197 Å²	197	113.5 Å²	113.5	92%	0.921	67%	0.674	S	S	*	*			trans	-58.8	77	162.8	-69.1	174	160	0	0	107.4	N96	E94-N96 PolarHBondContact O-N 3.45Å
95	G	36.6	Very low	50.7	Low	59 Å²	59	110 Å²	110	61%	0.608	66%	0.658	S	S	*	*			trans	-68.2	116.8	167.1	0	0	0	0	0	105.1	K93 A97	K93-G95 PolarHBondContact O-N 2.93Å; G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 2.96Å
96	N	45.6	Very low	53.5	Low	156 Å²	156	109.2 Å²	109.2	83%	0.834	64%	0.639	S	S	*	*			trans	-33.5	101.9	166.4	-83.1	-13.3	0	0	0	108.8	E94 L98	E94-N96 PolarHBondContact O-N 3.45Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 3.04Å
97	A	51.6	Low	56.5	Low	96 Å²	96	100.7 Å²	100.7	79%	0.793	60%	0.599	S	S	*	*			trans	-62	103.6	169.6	0	0	0	0	0	104	G95 N99	G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 2.96Å; A97-N99 PolarHBondContact O-N 3.26Å
98	L	63	Low	59.4	Low	110 Å²	110	99.1 Å²	99.1	58%	0.576	58%	0.581	S	S	*	*			trans	-57.6	112.7	178.3	-74.3	164.9	0	0	0	106.2	N96 I100 L140	N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 3.04Å; L98-I100 PolarHBondContact O-N 2.93Å; L98-L140 HydrophobicContact CD1-CD2 3.86Å
99	N	81.9	Confident	62.4	Low	75 Å²	75	97.1 Å²	97.1	40%	0.401	57%	0.565	S	S	.	*			trans	-64.2	122.3	177.1	-174.6	-4.1	0	0	0	107.9	A97 D101 D102 V103	A97-N99 PolarHBondContact O-N 3.26Å; N99-D101 PolarHBondContact O-N 3.49Å; N99-D101 PolarHBondContact OD1-N 2.87Å; N99-D101 VanDerWaalsContact OD1-N 3.16Å; N99-D102 HydrophobicContact CB-CB 4.21Å; N99-D102 WeakPolarHBondContact CB-OD2 3.39Å; N99-D102 WeakPolarHBondContact O-CB 3.35Å; N99-D102 PolarHBondContact O-N 2.86Å; N99-D102 VanDerWaalsContact O-N 3.11Å; N99-V103 PolarHBondContact O-N 3.25Å
100	I	82.5	Confident	65.3	Low	100 Å²	100	90 Å²	90	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-32.1	-178	-69	173.9	0	0	0	110.3	L98 V103 Y104 Y141	L98-I100 PolarHBondContact O-N 2.93Å; I100-V103 WeakPolarHBondContact O-CB 3.48Å; I100-V103 PolarHBondContact O-N 3Å; I100-Y104 PolarHBondContact O-N 2.87Å; I100-Y141 HydrophobicContact CG2-CD2 3.64Å; I100-Y141 HydrophobicContact CG2-CE2 3.39Å
101	D	85.3	Confident	68.3	Low	105 Å²	105	87 Å²	87	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-66.6	-40.4	176.7	-61.4	-31.7	0	0	0	111.8	N99 V103 Y104 E105	N99-D101 PolarHBondContact O-N 3.49Å; N99-D101 PolarHBondContact OD1-N 2.87Å; N99-D101 VanDerWaalsContact OD1-N 3.16Å; D101-V103 PolarHBondContact O-N 2.85Å; D101-Y104 PolarHBondContact O-N 3.44Å; D101-Y104 VanDerWaalsContact O-N 3.13Å; D101-E105 PolarHBondContact O-N 2.83Å
102	D	87.7	Confident	71	Confident	105 Å²	105	83.5 Å²	83.5	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-62.8	-35.7	175.2	-67	-18.4	0	0	0	111.1	N99 R106	N99-D102 HydrophobicContact CB-CB 4.21Å; N99-D102 WeakPolarHBondContact CB-OD2 3.39Å; N99-D102 WeakPolarHBondContact O-CB 3.35Å; N99-D102 PolarHBondContact O-N 2.86Å; N99-D102 VanDerWaalsContact O-N 3.11Å; D102-R106 VanDerWaalsContact O-CB 3.32Å; D102-R106 WeakPolarHBondContact O-CB 3.44Å; D102-R106 PolarHBondContact O-N 2.67Å
103	V	86.7	Confident	73.8	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.018	44%	0.443	C	S	.	.	H	α-helix	trans	-67.4	-42.5	175.3	-178.2	0	0	0	0	110.2	N99 I100 D101 R106 I107 D137 L140 Y141	N99-V103 PolarHBondContact O-N 3.25Å; I100-V103 WeakPolarHBondContact O-CB 3.48Å; I100-V103 PolarHBondContact O-N 3Å; D101-V103 PolarHBondContact O-N 2.85Å; V103-R106 PolarHBondContact O-N 2.89Å; V103-I107 HydrophobicContact CG1-CD1 4.11Å; V103-I107 VanDerWaalsContact O-CG1 3.29Å; V103-I107 WeakPolarHBondContact O-CG1 3.08Å; V103-I107 PolarHBondContact O-N 2.97Å; V103-D137 HydrophobicContact CG1-CB 4.09Å; V103-L140 HydrophobicContact CG1-CD2 4.4Å; V103-L140 HydrophobicContact CG2-CD2 3.86Å; V103-Y141 HydrophobicContact CG1-CD2 4.44Å
104	Y	87.9	Confident	76.4	Confident	68 Å²	68	72.1 Å²	72.1	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-43.8	178	-172.6	-122.4	0	0	0	112.5	I100 D101 R106 I107 K108 Y141	I100-Y104 PolarHBondContact O-N 2.87Å; D101-Y104 PolarHBondContact O-N 3.44Å; D101-Y104 VanDerWaalsContact O-N 3.13Å; Y104-R106 VanDerWaalsContact C-N 3.33Å; Y104-R106 PolarHBondContact O-N 3.44Å; Y104-I107 WeakPolarHBondContact O-CB 3.49Å; Y104-I107 PolarHBondContact O-N 3.21Å; Y104-K108 HydrophobicContact CE1-CD 4.28Å; Y104-K108 VanDerWaalsContact CZ-CE 3.41Å; Y104-K108 PolarHBondContact O-N 3.32Å; Y104-Y141 HydrophobicContact CD2-CE1 4.21Å; Y104-Y141 HydrophobicContact CD2-CE2 4.07Å; Y104-Y141 AromaticContact CD2-CZ 3.79Å; Y104-Y141 HydrophobicContact CG-CE2 4.15Å
105	E	88.5	Confident	78.9	Confident	104 Å²	104	68.7 Å²	68.7	49%	0.486	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-36.9	174.4	-71	-54.3	130.6	0	0	111.9	D101 I107 K108 A109	D101-E105 PolarHBondContact O-N 2.83Å; E105-I107 PolarHBondContact O-N 3.09Å; E105-K108 PolarHBondContact O-N 2.64Å; E105-K108 IonicContact OE1-NZ 2.65Å; E105-K108 PolarHBondContact OE1-NZ 2.8Å; E105-A109 WeakPolarHBondContact O-CB 3.28Å; E105-A109 PolarHBondContact O-N 3.32Å
106	R	88.6	Confident	80.9	Confident	88 Å²	88	67.3 Å²	67.3	33%	0.332	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-39	172.3	-170.5	169	65.7	-140.5	-0.4	112.3	D102 V103 Y104 A109 T110 D137	D102-R106 VanDerWaalsContact O-CB 3.32Å; D102-R106 WeakPolarHBondContact O-CB 3.44Å; D102-R106 PolarHBondContact O-N 2.67Å; V103-R106 PolarHBondContact O-N 2.89Å; Y104-R106 VanDerWaalsContact C-N 3.33Å; Y104-R106 PolarHBondContact O-N 3.44Å; R106-A109 PolarHBondContact O-N 3.01Å; R106-T110 VanDerWaalsContact O-CB 3.29Å; R106-T110 WeakPolarHBondContact O-CB 3.17Å; R106-T110 PolarHBondContact O-N 2.88Å; R106-T110 PolarHBondContact O-OG1 3.19Å; R106-D137 WeakPolarHBondContact CD-OD2 3.17Å; R106-D137 WeakPolarHBondContact CG-OD2 3.48Å; R106-D137 IonicContact CZ-OD1 3.21Å; R106-D137 IonicContact CZ-OD2 2.78Å; R106-D137 IonicContact NE-OD1 3.04Å; R106-D137 PolarHBondContact NE-OD1 3.37Å; R106-D137 IonicContact NE-OD2 2.69Å; R106-D137 PolarHBondContact NE-OD2 2.7Å; R106-D137 IonicContact NH2-OD1 2.64Å; R106-D137 PolarHBondContact NH2-OD1 2.73Å; R106-D137 IonicContact NH2-OD2 3.14Å
107	I	88.4	Confident	82	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-51.7	173.6	-70.3	162	0	0	0	109.8	V103 Y104 E105 A109 T110 V111 L134 D137 L138 Y141 L162	V103-I107 HydrophobicContact CG1-CD1 4.11Å; V103-I107 VanDerWaalsContact O-CG1 3.29Å; V103-I107 WeakPolarHBondContact O-CG1 3.08Å; V103-I107 PolarHBondContact O-N 2.97Å; Y104-I107 WeakPolarHBondContact O-CB 3.49Å; Y104-I107 PolarHBondContact O-N 3.21Å; E105-I107 PolarHBondContact O-N 3.09Å; I107-A109 PolarHBondContact O-N 2.68Å; I107-T110 PolarHBondContact O-N 3.34Å; I107-V111 HydrophobicContact CG2-CG2 4.29Å; I107-V111 WeakPolarHBondContact O-CB 3.11Å; I107-V111 WeakPolarHBondContact O-CG2 3.21Å; I107-V111 PolarHBondContact O-N 3.08Å; I107-L134 HydrophobicContact CG1-CD1 4.49Å; I107-L134 HydrophobicContact CG2-CD1 3.94Å; I107-D137 HydrophobicContact CD1-CB 4.13Å; I107-D137 HydrophobicContact CG1-CB 3.59Å; I107-L138 HydrophobicContact CD1-CD2 4.03Å; I107-L138 HydrophobicContact CG1-CD2 4.36Å; I107-L138 HydrophobicContact CG2-CD2 4.05Å; I107-Y141 HydrophobicContact CD1-CG 4.05Å; I107-L162 HydrophobicContact CG2-CD2 4.1Å
108	K	88.7	Confident	82.5	Confident	95 Å²	95	61.8 Å²	61.8	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-57.2	-47.1	177.8	-72.3	180	-173.8	160	0	112	Y104 E105 T110 V111 G112	Y104-K108 HydrophobicContact CE1-CD 4.28Å; Y104-K108 VanDerWaalsContact CZ-CE 3.41Å; Y104-K108 PolarHBondContact O-N 3.32Å; E105-K108 PolarHBondContact O-N 2.64Å; E105-K108 IonicContact OE1-NZ 2.65Å; E105-K108 PolarHBondContact OE1-NZ 2.8Å; K108-T110 VanDerWaalsContact C-N 3.34Å; K108-T110 PolarHBondContact O-N 3.02Å; K108-V111 PolarHBondContact O-N 3.34Å; K108-G112 PolarHBondContact O-N 3.13Å
109	A	87.2	Confident	82.5	Confident	59 Å²	59	60.8 Å²	60.8	49%	0.488	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-39.9	179.3	0	0	0	0	0	112.3	E105 R106 I107 G112 S113	E105-A109 WeakPolarHBondContact O-CB 3.28Å; E105-A109 PolarHBondContact O-N 3.32Å; R106-A109 PolarHBondContact O-N 3.01Å; I107-A109 PolarHBondContact O-N 2.68Å; A109-G112 PolarHBondContact O-N 3.25Å; A109-S113 WeakPolarHBondContact O-CB 3.32Å; A109-S113 PolarHBondContact O-N 3.35Å; A109-S113 PolarHBondContact O-OG 3.34Å
110	T	85.5	Confident	81.3	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.043	34%	0.337	C	S	.	.	H	α-helix	trans	-68	-42.7	177.8	-58.9	0	0	0	0	111.4	R106 I107 K108 S113 L114 Y130 L134	R106-T110 VanDerWaalsContact O-CB 3.29Å; R106-T110 WeakPolarHBondContact O-CB 3.17Å; R106-T110 PolarHBondContact O-N 2.88Å; R106-T110 PolarHBondContact O-OG1 3.19Å; I107-T110 PolarHBondContact O-N 3.34Å; K108-T110 VanDerWaalsContact C-N 3.34Å; K108-T110 PolarHBondContact O-N 3.02Å; T110-S113 PolarHBondContact O-N 3.05Å; T110-L114 HydrophobicContact CG2-CD1 4.22Å; T110-L114 WeakPolarHBondContact O-CB 3.4Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 3.17Å; T110-Y130 HydrophobicContact CG2-CD1 4.16Å; T110-Y130 WeakPolarHBondContact CG2-O 3.3Å; T110-L134 HydrophobicContact CG2-CB 3.81Å; T110-L134 HydrophobicContact CG2-CD1 4.41Å
111	V	86.7	Confident	79.8	Confident	11 Å²	11	63 Å²	63	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-43.8	175	173.3	0	0	0	0	110.6	I107 K108 S113 L114 K115 L134 I158 L162	I107-V111 HydrophobicContact CG2-CG2 4.29Å; I107-V111 WeakPolarHBondContact O-CB 3.11Å; I107-V111 WeakPolarHBondContact O-CG2 3.21Å; I107-V111 PolarHBondContact O-N 3.08Å; K108-V111 PolarHBondContact O-N 3.34Å; V111-S113 PolarHBondContact O-N 3.25Å; V111-L114 PolarHBondContact O-N 3.22Å; V111-K115 WeakPolarHBondContact O-CG 3.28Å; V111-K115 PolarHBondContact O-N 3.09Å; V111-K115 VanDerWaalsContact O-N 3.08Å; V111-L134 HydrophobicContact CG2-CD1 3.96Å; V111-L134 HydrophobicContact CG2-CD2 4.3Å; V111-I158 HydrophobicContact CB-CG2 4.49Å; V111-I158 HydrophobicContact CG1-CG2 4.05Å; V111-I158 HydrophobicContact CG2-CG2 3.89Å; V111-L162 HydrophobicContact CG1-CD1 4.36Å; V111-L162 HydrophobicContact CG2-CD1 3.97Å
112	G	84.6	Confident	78.5	Confident	35 Å²	35	63.5 Å²	63.5	36%	0.361	36%	0.361	S	S	.	.	H	α-helix	trans	-58	-46.9	173.4	0	0	0	0	0	112.2	K108 A109 L114 K115 S116	K108-G112 PolarHBondContact O-N 3.13Å; A109-G112 PolarHBondContact O-N 3.25Å; G112-L114 VanDerWaalsContact C-N 3.34Å; G112-L114 PolarHBondContact O-N 2.96Å; G112-K115 WeakPolarHBondContact O-CB 3.47Å; G112-K115 PolarHBondContact O-N 3.47Å; G112-S116 PolarHBondContact O-N 3.45Å; G112-S116 PolarHBondContact O-OG 3.19Å; G112-S116 VanDerWaalsContact O-OG 3.12Å
113	S	84.4	Confident	77.2	Confident	29 Å²	29	67.3 Å²	67.3	20%	0.203	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-38.7	177.6	-60.4	0	0	0	0	112.7	A109 T110 V111 K115 S116 L117	A109-S113 WeakPolarHBondContact O-CB 3.32Å; A109-S113 PolarHBondContact O-N 3.35Å; A109-S113 PolarHBondContact O-OG 3.34Å; T110-S113 PolarHBondContact O-N 3.05Å; V111-S113 PolarHBondContact O-N 3.25Å; S113-K115 VanDerWaalsContact C-N 3.34Å; S113-S116 PolarHBondContact O-N 3.03Å; S113-S116 PolarHBondContact O-OG 3.41Å; S113-L117 PolarHBondContact O-N 3.3Å; S113-L117 VanDerWaalsContact O-N 3.11Å
114	L	83.1	Confident	76.4	Confident	9 Å²	9	78.4 Å²	78.4	5%	0.047	41%	0.409	C	S	.	.	H	α-helix	trans	-68.6	-30.4	176.7	-78	169.1	0	0	0	113	T110 V111 G112 R127 Y130 L131 L134 I158	T110-L114 HydrophobicContact CG2-CD1 4.22Å; T110-L114 WeakPolarHBondContact O-CB 3.4Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 3.17Å; V111-L114 PolarHBondContact O-N 3.22Å; G112-L114 VanDerWaalsContact C-N 3.34Å; G112-L114 PolarHBondContact O-N 2.96Å; L114-R127 HydrophobicContact CD2-CG 4Å; L114-Y130 HydrophobicContact CD2-CG 4.32Å; L114-L131 HydrophobicContact CD1-CD2 3.99Å; L114-L131 HydrophobicContact CD2-CG 4.42Å; L114-L134 HydrophobicContact CD1-CD2 3.89Å; L114-I158 HydrophobicContact CB-CD1 4.16Å; L114-I158 HydrophobicContact CD1-CD1 3.75Å; L114-I158 HydrophobicContact CG-CD1 4.46Å
115	K	82.9	Confident	75.9	Confident	125 Å²	125	79 Å²	79	54%	0.543	41%	0.413	S	S	.	.	H	α-helix	trans	-73.6	-42.8	173.4	-72.4	177.5	176.5	-179.9	0	111.9	V111 G112 S113 L117 E159	V111-K115 WeakPolarHBondContact O-CG 3.28Å; V111-K115 PolarHBondContact O-N 3.09Å; V111-K115 VanDerWaalsContact O-N 3.08Å; G112-K115 WeakPolarHBondContact O-CB 3.47Å; G112-K115 PolarHBondContact O-N 3.47Å; S113-K115 VanDerWaalsContact C-N 3.34Å; K115-L117 VanDerWaalsContact C-N 3.26Å; K115-L117 PolarHBondContact O-N 3.45Å; K115-E159 WeakPolarHBondContact CE-OE1 3.39Å; K115-E159 IonicContact NZ-OE1 2.72Å
116	S	77.8	Confident	75.6	Confident	31 Å²	31	76.2 Å²	76.2	22%	0.217	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-82.2	3.9	179.3	59.5	0	0	0	0	114.4	G112 S113 S118 S119 Q120	G112-S116 PolarHBondContact O-N 3.45Å; G112-S116 PolarHBondContact O-OG 3.19Å; G112-S116 VanDerWaalsContact O-OG 3.12Å; S113-S116 PolarHBondContact O-N 3.03Å; S113-S116 PolarHBondContact O-OG 3.41Å; S116-S118 PolarHBondContact O-N 3.17Å; S116-S118 VanDerWaalsContact O-N 3.08Å; S116-S119 PolarHBondContact O-N 3.1Å; S116-S119 PolarHBondContact O-OG 3.17Å; S116-Q120 PolarHBondContact O-N 2.96Å; S116-Q120 PolarHBondContact OG-NE2 2.94Å
117	L	68.2	Low	75.4	Confident	20 Å²	20	78 Å²	78	11%	0.105	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-64.5	-16.6	-174.5	-147.9	76.9	0	0	0	113.7	S113 K115 R127 Y130	S113-L117 PolarHBondContact O-N 3.3Å; S113-L117 VanDerWaalsContact O-N 3.11Å; K115-L117 VanDerWaalsContact C-N 3.26Å; K115-L117 PolarHBondContact O-N 3.45Å; L117-R127 HydrophobicContact CD2-CB 3.53Å; L117-R127 HydrophobicContact CD2-CG 3.8Å; L117-Y130 HydrophobicContact CD1-CD2 3.9Å; L117-Y130 HydrophobicContact CD1-CE2 3.7Å
118	S	63	Low	75.3	Confident	116 Å²	116	84.8 Å²	84.8	81%	0.811	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-78.3	-25.6	173.3	61.3	0	0	0	0	113.4	S116	S116-S118 PolarHBondContact O-N 3.17Å; S116-S118 VanDerWaalsContact O-N 3.08Å
119	S	63.7	Low	75.2	Confident	89 Å²	89	84.5 Å²	84.5	62%	0.622	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-16.9	-173.3	59.8	0	0	0	0	114.3	S116 T121	S116-S119 PolarHBondContact O-N 3.1Å; S116-S119 PolarHBondContact O-OG 3.17Å; S119-T121 PolarHBondContact O-N 2.73Å
120	Q	56.3	Low	75.2	Confident	85 Å²	85	82.9 Å²	82.9	40%	0.397	42%	0.423	S	S	.	.			trans	-86.1	115.2	-176.1	-67.5	-176.6	4	0	0	112.8	S116	S116-Q120 PolarHBondContact O-N 2.96Å; S116-Q120 PolarHBondContact OG-NE2 2.94Å
121	T	50.8	Low	75.3	Confident	135 Å²	135	84.9 Å²	84.9	83%	0.828	43%	0.433	S	S	*	.	S	Bend	trans	-125	130.7	163.6	-44.5	0	0	0	0	108.5	S119	S119-T121 PolarHBondContact O-N 2.73Å
122	P	57.5	Low	75.4	Confident	116 Å²	116	88.6 Å²	88.6	75%	0.753	45%	0.45	S	S	*	.	S	Bend	cis	-90.9	151.1	0.6	28.6	-17.9	0	0	0	113.4
123	R	61.8	Low	75.7	Confident	186 Å²	186	89.6 Å²	89.6	70%	0.702	45%	0.445	S	S	*	.			trans	-74.2	128.1	-174.2	-67.5	179.1	166.6	168.8	-3.1	111.8
124	R	69.8	Low	76	Confident	235 Å²	235	88.4 Å²	88.4	89%	0.887	44%	0.436	S	S	*	.	S	Bend	trans	-81.4	-36.9	173.3	-66.2	-178.2	95.5	-178.7	7	113.4
125	K	76.2	Confident	76.4	Confident	80 Å²	80	90 Å²	90	35%	0.348	44%	0.442	S	S	.	.	S	Bend	trans	-138.5	156.8	-178.6	-70	-176.8	-176.6	179.7	0	111.1	E129 Y130 E133	K125-E129 VanDerWaalsContact CA-OE2 3.26Å; K125-E129 WeakPolarHBondContact CA-OE2 3.38Å; K125-E129 HydrophobicContact CB-CB 4.21Å; K125-E129 VanDerWaalsContact CB-OE2 3.23Å; K125-E129 WeakPolarHBondContact CB-OE2 3.21Å; K125-Y130 HydrophobicContact CB-CD2 3.96Å; K125-Y130 HydrophobicContact CB-CE1 4.47Å; K125-Y130 HydrophobicContact CB-CE2 3.58Å; K125-Y130 HydrophobicContact CD-CE1 4.24Å; K125-E133 VanDerWaalsContact NZ-CD 3.33Å; K125-E133 IonicContact NZ-OE1 3.29Å; K125-E133 PolarHBondContact NZ-OE1 3.4Å; K125-E133 IonicContact NZ-OE2 2.62Å; K125-E133 PolarHBondContact NZ-OE2 2.96Å
126	S	83.7	Confident	76.9	Confident	47 Å²	47	90.8 Å²	90.8	33%	0.329	45%	0.445	S	S	.	.			trans	-74.5	156.4	173.1	74	0	0	0	0	111.6	K128 E129 Y130	S126-K128 PolarHBondContact O-N 3.03Å; S126-E129 WeakPolarHBondContact CB-OE1 3.44Å; S126-E129 PolarHBondContact N-OE2 2.75Å; S126-E129 PolarHBondContact O-N 2.86Å; S126-E129 VanDerWaalsContact O-N 3.16Å; S126-E129 WeakPolarHBondContact OG-CG 3.36Å; S126-E129 PolarHBondContact OG-N 2.95Å; S126-E129 PolarHBondContact OG-OE1 2.91Å; S126-Y130 WeakPolarHBondContact O-CD2 3.41Å; S126-Y130 PolarHBondContact O-N 2.8Å; S126-Y130 VanDerWaalsContact O-N 3.17Å
127	R	82.8	Confident	77.7	Confident	125 Å²	125	89.7 Å²	89.7	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-55.7	-35.4	175.1	-174	175.8	171.7	83.8	0.5	111.8	L114 L117 L131	L114-R127 HydrophobicContact CD2-CG 4Å; L117-R127 HydrophobicContact CD2-CB 3.53Å; L117-R127 HydrophobicContact CD2-CG 3.8Å; R127-L131 HydrophobicContact CG-CD1 4.29Å; R127-L131 WeakPolarHBondContact O-CG 3.5Å; R127-L131 PolarHBondContact O-N 2.88Å; R127-L131 VanDerWaalsContact O-N 3.11Å
128	K	86.1	Confident	78.9	Confident	146 Å²	146	88.8 Å²	88.8	64%	0.635	43%	0.432	S	S	*	.	H	α-helix	trans	-66.6	-44	179.9	-174.3	179.3	172.8	-172.9	0	111.2	S126 Y130 L131 E132	S126-K128 PolarHBondContact O-N 3.03Å; K128-Y130 PolarHBondContact O-N 3.32Å; K128-L131 PolarHBondContact O-N 3.43Å; K128-E132 WeakPolarHBondContact CE-OE1 3.41Å; K128-E132 WeakPolarHBondContact O-CG 3.32Å; K128-E132 PolarHBondContact O-N 2.57Å
129	E	87.4	Confident	80.4	Confident	89 Å²	89	84.1 Å²	84.1	42%	0.416	40%	0.399	S	S	.	.	H	α-helix	trans	-60.5	-44.7	175.4	-75.1	149.2	-133.7	0	0	112.1	K125 S126 L131 E132 E133	K125-E129 VanDerWaalsContact CA-OE2 3.26Å; K125-E129 WeakPolarHBondContact CA-OE2 3.38Å; K125-E129 HydrophobicContact CB-CB 4.21Å; K125-E129 VanDerWaalsContact CB-OE2 3.23Å; K125-E129 WeakPolarHBondContact CB-OE2 3.21Å; S126-E129 WeakPolarHBondContact CB-OE1 3.44Å; S126-E129 PolarHBondContact N-OE2 2.75Å; S126-E129 PolarHBondContact O-N 2.86Å; S126-E129 VanDerWaalsContact O-N 3.16Å; S126-E129 WeakPolarHBondContact OG-CG 3.36Å; S126-E129 PolarHBondContact OG-N 2.95Å; S126-E129 PolarHBondContact OG-OE1 2.91Å; E129-L131 VanDerWaalsContact C-N 3.29Å; E129-L131 PolarHBondContact O-N 3.44Å; E129-E132 PolarHBondContact O-N 2.56Å; E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 2.91Å
130	Y	86.4	Confident	81.8	Confident	24 Å²	24	84.2 Å²	84.2	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-61.5	-37.1	175.7	-79.3	-65.2	0	0	0	112.6	T110 L114 L117 K125 S126 K128 L134	T110-Y130 HydrophobicContact CG2-CD1 4.16Å; T110-Y130 WeakPolarHBondContact CG2-O 3.3Å; L114-Y130 HydrophobicContact CD2-CG 4.32Å; L117-Y130 HydrophobicContact CD1-CD2 3.9Å; L117-Y130 HydrophobicContact CD1-CE2 3.7Å; K125-Y130 HydrophobicContact CB-CD2 3.96Å; K125-Y130 HydrophobicContact CB-CE1 4.47Å; K125-Y130 HydrophobicContact CB-CE2 3.58Å; K125-Y130 HydrophobicContact CD-CE1 4.24Å; S126-Y130 WeakPolarHBondContact O-CD2 3.41Å; S126-Y130 PolarHBondContact O-N 2.8Å; S126-Y130 VanDerWaalsContact O-N 3.17Å; K128-Y130 PolarHBondContact O-N 3.32Å; Y130-L134 VanDerWaalsContact O-CB 3.27Å; Y130-L134 WeakPolarHBondContact O-CB 3.42Å; Y130-L134 PolarHBondContact O-N 2.87Å
131	L	87.6	Confident	83.5	Confident	50 Å²	50	83.9 Å²	83.9	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-70.2	-36.2	176.4	-72.7	171.7	0	0	0	112.4	L114 R127 K128 E129 R135 I158	L114-L131 HydrophobicContact CD1-CD2 3.99Å; L114-L131 HydrophobicContact CD2-CG 4.42Å; R127-L131 HydrophobicContact CG-CD1 4.29Å; R127-L131 WeakPolarHBondContact O-CG 3.5Å; R127-L131 PolarHBondContact O-N 2.88Å; R127-L131 VanDerWaalsContact O-N 3.11Å; K128-L131 PolarHBondContact O-N 3.43Å; E129-L131 VanDerWaalsContact C-N 3.29Å; E129-L131 PolarHBondContact O-N 3.44Å; L131-R135 VanDerWaalsContact O-CB 3.28Å; L131-R135 WeakPolarHBondContact O-CB 3.39Å; L131-R135 PolarHBondContact O-N 3.45Å; L131-I158 HydrophobicContact CD2-CD1 4.11Å; L131-I158 HydrophobicContact CD2-CG1 4.49Å
132	E	90.4	Very high	85.5	Confident	89 Å²	89	78.3 Å²	78.3	42%	0.416	35%	0.352	S	S	.	.	H	α-helix	trans	-68.9	-39.4	175.8	-73.6	174.7	-170.5	0	0	112.1	K128 E129 R135 K136	K128-E132 WeakPolarHBondContact CE-OE1 3.41Å; K128-E132 WeakPolarHBondContact O-CG 3.32Å; K128-E132 PolarHBondContact O-N 2.57Å; E129-E132 PolarHBondContact O-N 2.56Å; E132-R135 PolarHBondContact O-N 2.96Å; E132-K136 WeakPolarHBondContact O-CG 3.31Å; E132-K136 PolarHBondContact O-N 3.34Å; E132-K136 VanDerWaalsContact O-N 3.16Å
133	E	89.5	Confident	87.3	Confident	56 Å²	56	74.7 Å²	74.7	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-50.4	173.4	-173.7	168.8	-158.4	0	0	110.9	K125 E129 R135 K136 D137	K125-E133 VanDerWaalsContact NZ-CD 3.33Å; K125-E133 IonicContact NZ-OE1 3.29Å; K125-E133 PolarHBondContact NZ-OE1 3.4Å; K125-E133 IonicContact NZ-OE2 2.62Å; K125-E133 PolarHBondContact NZ-OE2 2.96Å; E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 2.91Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 PolarHBondContact O-N 3.49Å; E133-K136 PolarHBondContact O-N 3.29Å; E133-K136 VanDerWaalsContact O-N 3.16Å; E133-D137 PolarHBondContact O-N 2.86Å
134	L	91.1	Very high	88.8	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-44.2	175.6	-178.7	60.6	0	0	0	111.8	I107 T110 V111 L114 Y130 K136 D137 L138 I158	I107-L134 HydrophobicContact CG1-CD1 4.49Å; I107-L134 HydrophobicContact CG2-CD1 3.94Å; T110-L134 HydrophobicContact CG2-CB 3.81Å; T110-L134 HydrophobicContact CG2-CD1 4.41Å; V111-L134 HydrophobicContact CG2-CD1 3.96Å; V111-L134 HydrophobicContact CG2-CD2 4.3Å; L114-L134 HydrophobicContact CD1-CD2 3.89Å; Y130-L134 VanDerWaalsContact O-CB 3.27Å; Y130-L134 WeakPolarHBondContact O-CB 3.42Å; Y130-L134 PolarHBondContact O-N 2.87Å; L134-K136 PolarHBondContact O-N 3.21Å; L134-D137 PolarHBondContact O-N 3.01Å; L134-L138 HydrophobicContact CD1-CD1 4.01Å; L134-L138 HydrophobicContact CD1-CD2 4.45Å; L134-L138 HydrophobicContact CD1-CG 3.99Å; L134-L138 HydrophobicContact CD2-CD1 4.45Å; L134-L138 HydrophobicContact CG-CD1 3.82Å; L134-L138 HydrophobicContact CG-CG 4.22Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.24Å; L134-L138 PolarHBondContact O-N 2.75Å; L134-I158 HydrophobicContact CD2-CG2 3.97Å
135	R	92.3	Very high	90	Very high	42 Å²	42	56.9 Å²	56.9	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-48.4	178.4	177.9	-176.8	173.5	168.9	8.2	111.5	L131 E132 E133 D137 L138 C139 D146 M149 E150 I153	L131-R135 VanDerWaalsContact O-CB 3.28Å; L131-R135 WeakPolarHBondContact O-CB 3.39Å; L131-R135 PolarHBondContact O-N 3.45Å; E132-R135 PolarHBondContact O-N 2.96Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 PolarHBondContact O-N 3.49Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 3.49Å; R135-L138 PolarHBondContact O-N 2.97Å; R135-C139 WeakPolarHBondContact O-CB 3.34Å; R135-C139 PolarHBondContact O-N 3.18Å; R135-C139 PolarHBondContact O-SG 3.3Å; R135-D146 VanDerWaalsContact CZ-CG 3.41Å; R135-D146 IonicContact CZ-OD1 3.23Å; R135-D146 IonicContact CZ-OD2 3.89Å; R135-D146 VanDerWaalsContact CZ-OD2 3.29Å; R135-D146 PolarHBondContact NE-O 3.41Å; R135-D146 IonicContact NE-OD1 3.29Å; R135-D146 PolarHBondContact NE-OD1 2.83Å; R135-D146 IonicContact NE-OD2 3.62Å; R135-D146 VanDerWaalsContact NH2-C 3.34Å; R135-D146 PolarHBondContact NH2-O 2.83Å; R135-D146 IonicContact NH2-OD1 3.72Å; R135-D146 PolarHBondContact NH2-OD1 3.35Å; R135-D146 IonicContact NH2-OD2 2.8Å; R135-D146 PolarHBondContact NH2-OD2 2.8Å; R135-M149 HydrophobicContact CG-CG 4.05Å; R135-E150 IonicContact CZ-OE2 3.73Å; R135-E150 VanDerWaalsContact CZ-OE2 3.23Å; R135-E150 IonicContact NH1-OE2 3.85Å; R135-E150 PolarHBondContact NH1-OE2 2.87Å; R135-E150 IonicContact NH2-OE2 2.76Å; R135-E150 PolarHBondContact NH2-OE2 2.95Å; R135-I153 HydrophobicContact CB-CD1 3.66Å; R135-I153 HydrophobicContact CG-CD1 3.78Å
136	K	93.2	Very high	90.8	Very high	143 Å²	143	57.4 Å²	57.4	62%	0.622	28%	0.278	S	S	*	.	H	α-helix	trans	-61.4	-42.1	179.3	-73	176.2	-177.8	176.4	0	111.5	E132 E133 L134 C139 L140	E132-K136 WeakPolarHBondContact O-CG 3.31Å; E132-K136 PolarHBondContact O-N 3.34Å; E132-K136 VanDerWaalsContact O-N 3.16Å; E133-K136 PolarHBondContact O-N 3.29Å; E133-K136 VanDerWaalsContact O-N 3.16Å; L134-K136 PolarHBondContact O-N 3.21Å; K136-C139 PolarHBondContact O-N 2.71Å; K136-L140 WeakPolarHBondContact O-CB 3.36Å; K136-L140 PolarHBondContact O-N 3.12Å
137	D	93.3	Very high	91.3	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-42.9	179.6	-66.1	-14.7	0	0	0	112.1	V103 R106 I107 E133 L134 R135 L140 Y141	V103-D137 HydrophobicContact CG1-CB 4.09Å; R106-D137 WeakPolarHBondContact CD-OD2 3.17Å; R106-D137 WeakPolarHBondContact CG-OD2 3.48Å; R106-D137 IonicContact CZ-OD1 3.21Å; R106-D137 IonicContact CZ-OD2 2.78Å; R106-D137 IonicContact NE-OD1 3.04Å; R106-D137 PolarHBondContact NE-OD1 3.37Å; R106-D137 IonicContact NE-OD2 2.69Å; R106-D137 PolarHBondContact NE-OD2 2.7Å; R106-D137 IonicContact NH2-OD1 2.64Å; R106-D137 PolarHBondContact NH2-OD1 2.73Å; R106-D137 IonicContact NH2-OD2 3.14Å; I107-D137 HydrophobicContact CD1-CB 4.13Å; I107-D137 HydrophobicContact CG1-CB 3.59Å; E133-D137 PolarHBondContact O-N 2.86Å; L134-D137 PolarHBondContact O-N 3.01Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 3.49Å; D137-L140 PolarHBondContact O-N 2.7Å; D137-Y141 VanDerWaalsContact O-CB 3.31Å; D137-Y141 WeakPolarHBondContact O-CB 3.5Å; D137-Y141 PolarHBondContact O-N 2.58Å
138	L	94	Very high	91.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-40	175.7	-69.2	174.4	0	0	0	112	I107 L134 R135 L140 Y142 M149 L161 L162 L165	I107-L138 HydrophobicContact CD1-CD2 4.03Å; I107-L138 HydrophobicContact CG1-CD2 4.36Å; I107-L138 HydrophobicContact CG2-CD2 4.05Å; L134-L138 HydrophobicContact CD1-CD1 4.01Å; L134-L138 HydrophobicContact CD1-CD2 4.45Å; L134-L138 HydrophobicContact CD1-CG 3.99Å; L134-L138 HydrophobicContact CD2-CD1 4.45Å; L134-L138 HydrophobicContact CG-CD1 3.82Å; L134-L138 HydrophobicContact CG-CG 4.22Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.24Å; L134-L138 PolarHBondContact O-N 2.75Å; R135-L138 PolarHBondContact O-N 2.97Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-Y142 HydrophobicContact CD2-CD2 3.99Å; L138-Y142 HydrophobicContact CD2-CE2 3.77Å; L138-Y142 WeakPolarHBondContact O-CB 3.29Å; L138-Y142 PolarHBondContact O-N 2.98Å; L138-M149 HydrophobicContact CB-CE 3.7Å; L138-M149 HydrophobicContact CB-CG 4.35Å; L138-M149 HydrophobicContact CB-SD 3.8Å; L138-M149 HydrophobicContact CD1-SD 4.05Å; L138-L161 HydrophobicContact CD1-CD2 3.79Å; L138-L162 HydrophobicContact CD2-CD2 3.69Å; L138-L165 HydrophobicContact CD1-CD1 4.28Å; L138-L165 HydrophobicContact CD2-CD1 3.95Å; L138-L165 HydrophobicContact CG-CD1 4.49Å
139	C	94.2	Very high	92.4	Very high	18 Å²	18	44.2 Å²	44.2	12%	0.122	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-45.4	173.6	-72.1	0	0	0	0	111.3	R135 K136 G143 Y144 M149	R135-C139 WeakPolarHBondContact O-CB 3.34Å; R135-C139 PolarHBondContact O-N 3.18Å; R135-C139 PolarHBondContact O-SG 3.3Å; K136-C139 PolarHBondContact O-N 2.71Å; C139-G143 VanDerWaalsContact O-CA 3.32Å; C139-G143 WeakPolarHBondContact O-CA 3.38Å; C139-G143 PolarHBondContact O-N 3.09Å; C139-Y144 WeakPolarHBondContact CB-O 3.42Å; C139-Y144 PolarHBondContact O-N 3.47Å; C139-Y144 VanDerWaalsContact O-N 3.13Å; C139-M149 WeakPolarHBondContact SG-CB 3.47Å
140	L	92.9	Very high	92.7	Very high	92 Å²	92	43.7 Å²	43.7	48%	0.482	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-47.7	-179.7	-179	63.5	0	0	0	111.9	L98 V103 K136 D137 L138	L98-L140 HydrophobicContact CD1-CD2 3.86Å; V103-L140 HydrophobicContact CG1-CD2 4.4Å; V103-L140 HydrophobicContact CG2-CD2 3.86Å; K136-L140 WeakPolarHBondContact O-CB 3.36Å; K136-L140 PolarHBondContact O-N 3.12Å; D137-L140 PolarHBondContact O-N 2.7Å; L138-L140 VanDerWaalsContact C-N 3.33Å
141	Y	93.2	Very high	93	Very high	78 Å²	78	44.1 Å²	44.1	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-70.1	-45.6	-175.1	-173.8	-92.7	0	0	0	112.6	I100 V103 Y104 I107 D137	I100-Y141 HydrophobicContact CG2-CD2 3.64Å; I100-Y141 HydrophobicContact CG2-CE2 3.39Å; V103-Y141 HydrophobicContact CG1-CD2 4.44Å; Y104-Y141 HydrophobicContact CD2-CE1 4.21Å; Y104-Y141 HydrophobicContact CD2-CE2 4.07Å; Y104-Y141 AromaticContact CD2-CZ 3.79Å; Y104-Y141 HydrophobicContact CG-CE2 4.15Å; I107-Y141 HydrophobicContact CD1-CG 4.05Å; D137-Y141 VanDerWaalsContact O-CB 3.31Å; D137-Y141 WeakPolarHBondContact O-CB 3.5Å; D137-Y141 PolarHBondContact O-N 2.58Å
142	Y	93.3	Very high	93.4	Very high	17 Å²	17	41.8 Å²	41.8	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-97.4	-1.1	-175.5	-69	-77.1	0	0	0	114.3	L138 Y144 L165 Q166 E169 K338	L138-Y142 HydrophobicContact CD2-CD2 3.99Å; L138-Y142 HydrophobicContact CD2-CE2 3.77Å; L138-Y142 WeakPolarHBondContact O-CB 3.29Å; L138-Y142 PolarHBondContact O-N 2.98Å; Y142-Y144 VanDerWaalsContact CB-CD2 3.47Å; Y142-Y144 HydrophobicContact CG-CE2 4.48Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.32Å; Y142-L165 HydrophobicContact CD1-CB 4.2Å; Y142-L165 HydrophobicContact CD2-CB 4.17Å; Y142-L165 HydrophobicContact CD2-CD1 3.79Å; Y142-L165 HydrophobicContact CD2-CG 4.47Å; Y142-L165 HydrophobicContact CE1-CB 4.04Å; Y142-L165 HydrophobicContact CE2-CB 4Å; Y142-L165 HydrophobicContact CE2-CD1 3.88Å; Y142-L165 HydrophobicContact CG-CB 4.28Å; Y142-L165 HydrophobicContact CG-CD1 4.49Å; Y142-Q166 WeakPolarHBondContact OH-CG 3.38Å; Y142-E169 HydrophobicContact CD1-CG 3.75Å; Y142-E169 HydrophobicContact CE1-CG 3.94Å; Y142-K338 PolarHBondContact O-NZ 2.61Å
143	G	93.4	Very high	93.6	Very high	40 Å²	40	39.4 Å²	39.4	41%	0.412	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	36.5	177	0	0	0	0	0	114.4	C139	C139-G143 VanDerWaalsContact O-CA 3.32Å; C139-G143 WeakPolarHBondContact O-CA 3.38Å; C139-G143 PolarHBondContact O-N 3.09Å
144	Y	94.9	Very high	93.7	Very high	10 Å²	10	38.4 Å²	38.4	4%	0.039	19%	0.191	C	C	.	.			trans	-95.4	145.9	177.9	-77	-93	0	0	0	112.1	C139 Y142 I148 M149 F152 L165 I331 K338	C139-Y144 WeakPolarHBondContact CB-O 3.42Å; C139-Y144 PolarHBondContact O-N 3.47Å; C139-Y144 VanDerWaalsContact O-N 3.13Å; Y142-Y144 VanDerWaalsContact CB-CD2 3.47Å; Y142-Y144 HydrophobicContact CG-CE2 4.48Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.32Å; Y144-I148 HydrophobicContact CD1-CB 4.44Å; Y144-I148 HydrophobicContact CD1-CG2 3.7Å; Y144-I148 HydrophobicContact CE1-CG2 4.08Å; Y144-M149 HydrophobicContact CD2-CE 3.69Å; Y144-M149 HydrophobicContact CE2-CE 4.48Å; Y144-M149 HydrophobicContact CG-CE 3.7Å; Y144-F152 HydrophobicContact CD1-CE2 4.06Å; Y144-F152 HydrophobicContact CE1-CD2 4.3Å; Y144-F152 AromaticContact CE1-CE2 3.57Å; Y144-F152 HydrophobicContact CE1-CE2 3.57Å; Y144-L165 HydrophobicContact CD2-CD2 4.09Å; Y144-L165 HydrophobicContact CE1-CD2 4.45Å; Y144-L165 HydrophobicContact CE2-CD2 3.48Å; Y144-L165 VanDerWaalsContact CE2-CD2 3.48Å; Y144-I331 HydrophobicContact CE1-CD1 3.94Å; Y144-K338 HydrophobicContact CD1-CB 3.77Å; Y144-K338 HydrophobicContact CD1-CD 4.39Å; Y144-K338 HydrophobicContact CD1-CG 3.91Å; Y144-K338 HydrophobicContact CD2-CD 4.16Å; Y144-K338 HydrophobicContact CE1-CB 3.89Å; Y144-K338 HydrophobicContact CE1-CD 4.02Å; Y144-K338 HydrophobicContact CE1-CG 3.49Å; Y144-K338 VanDerWaalsContact CE1-CG 3.49Å; Y144-K338 HydrophobicContact CE2-CD 3.79Å; Y144-K338 HydrophobicContact CE2-CG 4.21Å; Y144-K338 HydrophobicContact CG-CB 4.23Å; Y144-K338 HydrophobicContact CG-CD 4.48Å; Y144-K338 HydrophobicContact CG-CG 4.43Å
145	N	94.4	Very high	93.9	Very high	37 Å²	37	39.2 Å²	39.2	20%	0.198	20%	0.195	C	C	.	.			trans	-70.9	155.3	165.8	78.2	22.4	0	0	0	110.9	F147 I148 M149 K338 I339 K341	N145-F147 VanDerWaalsContact C-N 3.26Å; N145-F147 PolarHBondContact O-N 3.13Å; N145-F147 PolarHBondContact OD1-N 3.36Å; N145-I148 PolarHBondContact O-N 3.28Å; N145-I148 VanDerWaalsContact OD1-CB 3.3Å; N145-I148 WeakPolarHBondContact OD1-CB 3.3Å; N145-I148 VanDerWaalsContact OD1-CG1 3.28Å; N145-I148 WeakPolarHBondContact OD1-CG1 3.49Å; N145-I148 PolarHBondContact OD1-N 3.44Å; N145-M149 PolarHBondContact O-N 2.98Å; N145-M149 VanDerWaalsContact O-N 3.15Å; N145-K338 PolarHBondContact N-O 2.7Å; N145-I339 PolarHBondContact ND2-O 2.94Å; N145-K341 PolarHBondContact ND2-O 2.96Å
146	D	93.8	Very high	94	Very high	91 Å²	91	37.9 Å²	37.9	49%	0.487	19%	0.191	S	C	.	.	H	α-helix	trans	-58.2	-41.1	-174.9	-167.2	52.9	0	0	0	111.9	R135 E150	R135-D146 VanDerWaalsContact CZ-CG 3.41Å; R135-D146 IonicContact CZ-OD1 3.23Å; R135-D146 IonicContact CZ-OD2 3.89Å; R135-D146 VanDerWaalsContact CZ-OD2 3.29Å; R135-D146 PolarHBondContact NE-O 3.41Å; R135-D146 IonicContact NE-OD1 3.29Å; R135-D146 PolarHBondContact NE-OD1 2.83Å; R135-D146 IonicContact NE-OD2 3.62Å; R135-D146 VanDerWaalsContact NH2-C 3.34Å; R135-D146 PolarHBondContact NH2-O 2.83Å; R135-D146 IonicContact NH2-OD1 3.72Å; R135-D146 PolarHBondContact NH2-OD1 3.35Å; R135-D146 IonicContact NH2-OD2 2.8Å; R135-D146 PolarHBondContact NH2-OD2 2.8Å; D146-E150 PolarHBondContact O-N 2.86Å; D146-E150 VanDerWaalsContact O-N 3.09Å
147	F	94	Very high	94	Very high	41 Å²	41	33.8 Å²	33.8	18%	0.18	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-56.5	179.7	169.1	-107.5	0	0	0	112.2	N145 M149 E150 R151 K341 E343 I346	N145-F147 VanDerWaalsContact C-N 3.26Å; N145-F147 PolarHBondContact O-N 3.13Å; N145-F147 PolarHBondContact OD1-N 3.36Å; F147-M149 VanDerWaalsContact C-N 3.32Å; F147-M149 PolarHBondContact O-N 3.27Å; F147-E150 PolarHBondContact O-N 3.15Å; F147-R151 HydrophobicContact CD2-CG 4.16Å; F147-R151 HydrophobicContact CE1-CG 4.19Å; F147-R151 HydrophobicContact CE2-CG 3.68Å; F147-R151 HydrophobicContact CZ-CG 3.7Å; F147-R151 WeakPolarHBondContact O-CG 3.19Å; F147-R151 PolarHBondContact O-N 2.79Å; F147-K341 WeakPolarHBondContact CD1-O 3.44Å; F147-E343 HydrophobicContact CD2-CB 4.15Å; F147-E343 VanDerWaalsContact CE1-N 3.3Å; F147-E343 HydrophobicContact CE2-CB 3.54Å; F147-E343 HydrophobicContact CE2-CG 4.29Å; F147-E343 WeakPolarHBondContact CE2-OE2 3.34Å; F147-E343 HydrophobicContact CZ-CB 3.8Å; F147-E343 VanDerWaalsContact CZ-N 3.3Å; F147-E343 WeakPolarHBondContact CZ-OE2 3.46Å; F147-I346 HydrophobicContact CE1-CG1 4.02Å; F147-I346 HydrophobicContact CZ-CG1 4.05Å
148	I	94.4	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-40.1	-176.6	-69.2	-66	0	0	0	111	Y144 N145 E150 R151 F152 K341 F382	Y144-I148 HydrophobicContact CD1-CB 4.44Å; Y144-I148 HydrophobicContact CD1-CG2 3.7Å; Y144-I148 HydrophobicContact CE1-CG2 4.08Å; N145-I148 PolarHBondContact O-N 3.28Å; N145-I148 VanDerWaalsContact OD1-CB 3.3Å; N145-I148 WeakPolarHBondContact OD1-CB 3.3Å; N145-I148 VanDerWaalsContact OD1-CG1 3.28Å; N145-I148 WeakPolarHBondContact OD1-CG1 3.49Å; N145-I148 PolarHBondContact OD1-N 3.44Å; I148-E150 PolarHBondContact O-N 3.19Å; I148-R151 WeakPolarHBondContact O-CB 3.28Å; I148-R151 PolarHBondContact O-N 3.06Å; I148-R151 VanDerWaalsContact O-N 3.14Å; I148-F152 HydrophobicContact CG2-CD2 3.8Å; I148-F152 HydrophobicContact CG2-CE1 4.47Å; I148-F152 HydrophobicContact CG2-CE2 3.18Å; I148-F152 HydrophobicContact CG2-CZ 3.57Å; I148-F152 WeakPolarHBondContact O-CD2 3.36Å; I148-F152 PolarHBondContact O-N 3.14Å; I148-K341 HydrophobicContact CD1-CB 3.79Å; I148-K341 HydrophobicContact CG1-CB 4.2Å; I148-F382 HydrophobicContact CD1-CE2 3.95Å; I148-F382 HydrophobicContact CD1-CZ 3.87Å
149	M	95.8	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-44.9	177.5	-174	56.5	64.9	0	0	111.7	R135 L138 C139 Y144 N145 F147 R151 F152 I153 L165	R135-M149 HydrophobicContact CG-CG 4.05Å; L138-M149 HydrophobicContact CB-CE 3.7Å; L138-M149 HydrophobicContact CB-CG 4.35Å; L138-M149 HydrophobicContact CB-SD 3.8Å; L138-M149 HydrophobicContact CD1-SD 4.05Å; C139-M149 WeakPolarHBondContact SG-CB 3.47Å; Y144-M149 HydrophobicContact CD2-CE 3.69Å; Y144-M149 HydrophobicContact CE2-CE 4.48Å; Y144-M149 HydrophobicContact CG-CE 3.7Å; N145-M149 PolarHBondContact O-N 2.98Å; N145-M149 VanDerWaalsContact O-N 3.15Å; F147-M149 VanDerWaalsContact C-N 3.32Å; F147-M149 PolarHBondContact O-N 3.27Å; M149-R151 VanDerWaalsContact C-N 3.28Å; M149-R151 PolarHBondContact O-N 2.92Å; M149-F152 PolarHBondContact O-N 2.83Å; M149-F152 VanDerWaalsContact O-N 3.11Å; M149-I153 HydrophobicContact CG-CD1 3.98Å; M149-I153 HydrophobicContact CG-CG1 4.47Å; M149-I153 WeakPolarHBondContact O-CG1 3.3Å; M149-I153 PolarHBondContact O-N 2.85Å; M149-I153 HydrophobicContact SD-CG1 4.49Å; M149-L165 HydrophobicContact CE-CD1 3.99Å; M149-L165 HydrophobicContact CE-CD2 3.93Å; M149-L165 HydrophobicContact SD-CD1 4.2Å
150	E	94.4	Very high	93.7	Very high	79 Å²	79	39.2 Å²	39.2	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-59.6	-40.4	173.7	163.1	167.6	-159.1	0	0	112.2	R135 D146 F147 I148 F152 I153 N154	R135-E150 IonicContact CZ-OE2 3.73Å; R135-E150 VanDerWaalsContact CZ-OE2 3.23Å; R135-E150 IonicContact NH1-OE2 3.85Å; R135-E150 PolarHBondContact NH1-OE2 2.87Å; R135-E150 IonicContact NH2-OE2 2.76Å; R135-E150 PolarHBondContact NH2-OE2 2.95Å; D146-E150 PolarHBondContact O-N 2.86Å; D146-E150 VanDerWaalsContact O-N 3.09Å; F147-E150 PolarHBondContact O-N 3.15Å; I148-E150 PolarHBondContact O-N 3.19Å; E150-F152 VanDerWaalsContact C-N 3.26Å; E150-F152 PolarHBondContact O-N 3.38Å; E150-I153 PolarHBondContact O-N 3.42Å; E150-N154 VanDerWaalsContact CG-ND2 3.34Å; E150-N154 WeakPolarHBondContact CG-ND2 3.15Å; E150-N154 WeakPolarHBondContact O-CB 3.18Å; E150-N154 PolarHBondContact O-N 2.8Å; E150-N154 PolarHBondContact O-ND2 3.46Å; E150-N154 VanDerWaalsContact O-ND2 3.13Å; E150-N154 PolarHBondContact O-OD1 2.96Å
151	R	94.1	Very high	93.8	Very high	32 Å²	32	35 Å²	35	12%	0.121	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-34.6	176.9	-62.1	-69.1	-59.1	165.2	18.9	112	F147 I148 M149 L155 F382 E384	F147-R151 HydrophobicContact CD2-CG 4.16Å; F147-R151 HydrophobicContact CE1-CG 4.19Å; F147-R151 HydrophobicContact CE2-CG 3.68Å; F147-R151 HydrophobicContact CZ-CG 3.7Å; F147-R151 WeakPolarHBondContact O-CG 3.19Å; F147-R151 PolarHBondContact O-N 2.79Å; I148-R151 WeakPolarHBondContact O-CB 3.28Å; I148-R151 PolarHBondContact O-N 3.06Å; I148-R151 VanDerWaalsContact O-N 3.14Å; M149-R151 VanDerWaalsContact C-N 3.28Å; M149-R151 PolarHBondContact O-N 2.92Å; R151-L155 WeakPolarHBondContact O-CB 3.46Å; R151-L155 PolarHBondContact O-N 2.89Å; R151-F382 HydrophobicContact CB-CD1 4.37Å; R151-F382 HydrophobicContact CB-CE1 3.63Å; R151-F382 HydrophobicContact CB-CZ 3.96Å; R151-E384 IonicContact CZ-OE1 2.9Å; R151-E384 IonicContact CZ-OE2 2.71Å; R151-E384 IonicContact NH1-OE1 2.84Å; R151-E384 PolarHBondContact NH1-OE1 3.49Å; R151-E384 IonicContact NH2-OE1 3.21Å; R151-E384 PolarHBondContact NH2-OE1 3.2Å; R151-E384 IonicContact NH2-OE2 3.23Å; R151-E384 PolarHBondContact NH2-OE2 2.89Å
152	F	95.6	Very high	93.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-76.8	-42.7	174.8	-63.2	-37.5	0	0	0	113.7	Y144 I148 M149 E150 N154 L155 F156 L161 F164 L165 I331 V381 F382	Y144-F152 HydrophobicContact CD1-CE2 4.06Å; Y144-F152 HydrophobicContact CE1-CD2 4.3Å; Y144-F152 AromaticContact CE1-CE2 3.57Å; Y144-F152 HydrophobicContact CE1-CE2 3.57Å; I148-F152 HydrophobicContact CG2-CD2 3.8Å; I148-F152 HydrophobicContact CG2-CE1 4.47Å; I148-F152 HydrophobicContact CG2-CE2 3.18Å; I148-F152 HydrophobicContact CG2-CZ 3.57Å; I148-F152 WeakPolarHBondContact O-CD2 3.36Å; I148-F152 PolarHBondContact O-N 3.14Å; M149-F152 PolarHBondContact O-N 2.83Å; M149-F152 VanDerWaalsContact O-N 3.11Å; E150-F152 VanDerWaalsContact C-N 3.26Å; E150-F152 PolarHBondContact O-N 3.38Å; F152-N154 PolarHBondContact O-N 3.37Å; F152-L155 PolarHBondContact O-N 2.92Å; F152-F156 HydrophobicContact CB-CD2 4.37Å; F152-F156 HydrophobicContact CD1-CE2 4.27Å; F152-F156 PolarHBondContact O-N 3.28Å; F152-L161 HydrophobicContact CB-CD1 3.46Å; F152-L161 VanDerWaalsContact CB-CD1 3.46Å; F152-F164 AromaticContact CD1-CE1 3.84Å; F152-F164 HydrophobicContact CD1-CE1 3.84Å; F152-F164 HydrophobicContact CD1-CZ 4.45Å; F152-F164 HydrophobicContact CD2-CE1 4.04Å; F152-F164 AromaticContact CE1-CE1 3.67Å; F152-F164 HydrophobicContact CE1-CE1 3.67Å; F152-F164 AromaticContact CE1-CZ 3.98Å; F152-F164 HydrophobicContact CE1-CZ 3.98Å; F152-F164 AromaticContact CE2-CE1 3.84Å; F152-F164 HydrophobicContact CE2-CE1 3.84Å; F152-F164 HydrophobicContact CG-CD1 4.49Å; F152-F164 HydrophobicContact CG-CE1 4.05Å; F152-F164 AromaticContact CZ-CE1 3.68Å; F152-F164 HydrophobicContact CZ-CE1 3.68Å; F152-F164 HydrophobicContact CZ-CZ 4.12Å; F152-L165 HydrophobicContact CD2-CD2 4.42Å; F152-I331 HydrophobicContact CE2-CD1 4Å; F152-I331 HydrophobicContact CZ-CD1 3.69Å; F152-V381 HydrophobicContact CD1-CG2 4.48Å; F152-V381 HydrophobicContact CE1-CG2 3.76Å; F152-F382 AromaticContact CD1-CE1 3.77Å; F152-F382 HydrophobicContact CD1-CE1 3.77Å; F152-F382 HydrophobicContact CD1-CZ 4.28Å; F152-F382 AromaticContact CE1-CE1 3.48Å; F152-F382 HydrophobicContact CE1-CE1 3.48Å; F152-F382 VanDerWaalsContact CE1-CE1 3.48Å; F152-F382 AromaticContact CE1-CZ 3.64Å; F152-F382 HydrophobicContact CE1-CZ 3.64Å; F152-F382 HydrophobicContact CZ-CE1 4.4Å; F152-F382 HydrophobicContact CZ-CZ 4.13Å
153	I	93.7	Very high	94	Very high	39 Å²	39	36.7 Å²	36.7	20%	0.2	19%	0.194	C	C	.	.	H	α-helix	trans	-55.1	-35	170.9	-68.4	166.9	0	0	0	110.4	R135 M149 E150 L155 L161	R135-I153 HydrophobicContact CB-CD1 3.66Å; R135-I153 HydrophobicContact CG-CD1 3.78Å; M149-I153 HydrophobicContact CG-CD1 3.98Å; M149-I153 HydrophobicContact CG-CG1 4.47Å; M149-I153 WeakPolarHBondContact O-CG1 3.3Å; M149-I153 PolarHBondContact O-N 2.85Å; M149-I153 HydrophobicContact SD-CG1 4.49Å; E150-I153 PolarHBondContact O-N 3.42Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L161 HydrophobicContact CB-CD2 4.41Å; I153-L161 HydrophobicContact CG1-CD2 3.52Å
154	N	92.7	Very high	94.1	Very high	35 Å²	35	34.8 Å²	34.8	19%	0.187	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.1	179.7	-72.3	-15.4	0	0	0	113.9	E150 F152 F416 R417	E150-N154 VanDerWaalsContact CG-ND2 3.34Å; E150-N154 WeakPolarHBondContact CG-ND2 3.15Å; E150-N154 WeakPolarHBondContact O-CB 3.18Å; E150-N154 PolarHBondContact O-N 2.8Å; E150-N154 PolarHBondContact O-ND2 3.46Å; E150-N154 VanDerWaalsContact O-ND2 3.13Å; E150-N154 PolarHBondContact O-OD1 2.96Å; F152-N154 PolarHBondContact O-N 3.37Å; N154-F416 WeakPolarHBondContact O-CZ 3.5Å; N154-R417 VanDerWaalsContact CA-NH2 3.27Å; N154-R417 PolarHBondContact ND2-NH1 2.99Å; N154-R417 PolarHBondContact O-NE 2.7Å; N154-R417 PolarHBondContact OD1-NH2 3.3Å
155	L	94.4	Very high	94.1	Very high	20 Å²	20	34.3 Å²	34.3	11%	0.105	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-38.5	-175.3	-177.6	62.3	0	0	0	112.7	R151 F152 I153 V381 V383 F413 F416	R151-L155 WeakPolarHBondContact O-CB 3.46Å; R151-L155 PolarHBondContact O-N 2.89Å; F152-L155 PolarHBondContact O-N 2.92Å; I153-L155 VanDerWaalsContact C-N 3.33Å; L155-V381 HydrophobicContact CD2-CB 4.17Å; L155-V381 HydrophobicContact CD2-CG2 4.11Å; L155-V381 VanDerWaalsContact CD2-O 3.27Å; L155-V381 WeakPolarHBondContact CD2-O 3.5Å; L155-V383 HydrophobicContact CD1-CG2 4.06Å; L155-F413 HydrophobicContact CD1-CE2 3.82Å; L155-F413 HydrophobicContact CD1-CZ 4.16Å; L155-F416 HydrophobicContact CD1-CE2 3.85Å; L155-F416 HydrophobicContact CD1-CZ 4.26Å
156	F	94.2	Very high	94.1	Very high	14 Å²	14	36.7 Å²	36.7	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-113.7	157.8	-172.5	-60.8	-63.7	0	0	0	112.1	F152 E160 L161 F164 Y432	F152-F156 HydrophobicContact CB-CD2 4.37Å; F152-F156 HydrophobicContact CD1-CE2 4.27Å; F152-F156 PolarHBondContact O-N 3.28Å; F156-E160 HydrophobicContact CB-CB 4.2Å; F156-E160 HydrophobicContact CB-CG 4.29Å; F156-E160 VanDerWaalsContact CD1-CD 3.49Å; F156-E160 HydrophobicContact CD1-CG 3.77Å; F156-E160 HydrophobicContact CE1-CG 4.46Å; F156-E160 HydrophobicContact CG-CG 4.3Å; F156-L161 HydrophobicContact CB-CB 4.09Å; F156-L161 HydrophobicContact CD2-CD1 4.37Å; F156-F164 HydrophobicContact CD2-CB 4.39Å; F156-F164 HydrophobicContact CD2-CD1 4.25Å; F156-F164 HydrophobicContact CD2-CG 4.25Å; F156-F164 HydrophobicContact CE2-CB 4.14Å; F156-F164 AromaticContact CE2-CD1 3.66Å; F156-F164 HydrophobicContact CE2-CD1 3.66Å; F156-F164 AromaticContact CE2-CD2 3.85Å; F156-F164 HydrophobicContact CE2-CD2 3.85Å; F156-F164 AromaticContact CE2-CE1 3.97Å; F156-F164 HydrophobicContact CE2-CE1 3.97Å; F156-F164 HydrophobicContact CE2-CE2 4.15Å; F156-F164 AromaticContact CE2-CG 3.59Å; F156-F164 HydrophobicContact CE2-CG 3.59Å; F156-F164 HydrophobicContact CE2-CZ 4.21Å; F156-F164 HydrophobicContact CZ-CB 4.46Å; F156-F164 HydrophobicContact CZ-CD1 4.42Å; F156-F164 AromaticContact CZ-CD2 3.77Å; F156-F164 HydrophobicContact CZ-CD2 3.77Å; F156-F164 HydrophobicContact CZ-CE2 4.08Å; F156-F164 AromaticContact CZ-CG 3.96Å; F156-F164 HydrophobicContact CZ-CG 3.96Å; F156-Y432 AromaticContact CE1-CD1 3.87Å; F156-Y432 HydrophobicContact CE1-CD1 3.87Å; F156-Y432 AromaticContact CE1-CE1 3.51Å; F156-Y432 HydrophobicContact CE1-CE1 3.51Å; F156-Y432 HydrophobicContact CE1-CE2 4.25Å; F156-Y432 HydrophobicContact CE1-CG 4.35Å; F156-Y432 AromaticContact CE1-CZ 3.7Å; F156-Y432 AromaticContact CZ-CD1 3.67Å; F156-Y432 HydrophobicContact CZ-CD1 3.67Å; F156-Y432 AromaticContact CZ-CE1 3.42Å; F156-Y432 HydrophobicContact CZ-CE1 3.42Å; F156-Y432 VanDerWaalsContact CZ-CE1 3.42Å; F156-Y432 HydrophobicContact CZ-CG 4.49Å
157	S	92.6	Very high	94.1	Very high	57 Å²	57	33 Å²	33	40%	0.399	17%	0.165	S	C	.	.			trans	-65	164.9	160.9	63.2	0	0	0	0	110.2	E159 E160 L161	S157-E159 VanDerWaalsContact C-N 3.3Å; S157-E159 PolarHBondContact O-N 2.81Å; S157-E160 PolarHBondContact O-N 3.33Å; S157-E160 WeakPolarHBondContact OG-CB 3.17Å; S157-E160 PolarHBondContact OG-N 3.17Å; S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 3.26Å
158	I	90.8	Very high	94.1	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.118	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-41.1	-178.5	-64.9	161.1	0	0	0	110.4	V111 L114 L131 L134 L161 L162	V111-I158 HydrophobicContact CB-CG2 4.49Å; V111-I158 HydrophobicContact CG1-CG2 4.05Å; V111-I158 HydrophobicContact CG2-CG2 3.89Å; L114-I158 HydrophobicContact CB-CD1 4.16Å; L114-I158 HydrophobicContact CD1-CD1 3.75Å; L114-I158 HydrophobicContact CG-CD1 4.46Å; L131-I158 HydrophobicContact CD2-CD1 4.11Å; L131-I158 HydrophobicContact CD2-CG1 4.49Å; L134-I158 HydrophobicContact CD2-CG2 3.97Å; I158-L161 PolarHBondContact O-N 3.03Å; I158-L162 WeakPolarHBondContact O-CG 3.21Å; I158-L162 PolarHBondContact O-N 2.96Å
159	E	91.1	Very high	94.1	Very high	81 Å²	81	35.3 Å²	35.3	38%	0.379	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-50.5	177.9	-60.8	74.5	-162.1	0	0	110.8	K115 S157 L161 L162 E163	K115-E159 WeakPolarHBondContact CE-OE1 3.39Å; K115-E159 IonicContact NZ-OE1 2.72Å; S157-E159 VanDerWaalsContact C-N 3.3Å; S157-E159 PolarHBondContact O-N 2.81Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.02Å; E159-L162 PolarHBondContact O-N 3.35Å; E159-E163 PolarHBondContact O-N 3.33Å
160	E	93.9	Very high	93.9	Very high	36 Å²	36	39.3 Å²	39.3	17%	0.168	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-31.2	-180	-172.1	177.2	-167.1	0	0	112.6	F156 S157 F164 H434 K435	F156-E160 HydrophobicContact CB-CB 4.2Å; F156-E160 HydrophobicContact CB-CG 4.29Å; F156-E160 VanDerWaalsContact CD1-CD 3.49Å; F156-E160 HydrophobicContact CD1-CG 3.77Å; F156-E160 HydrophobicContact CE1-CG 4.46Å; F156-E160 HydrophobicContact CG-CG 4.3Å; S157-E160 PolarHBondContact O-N 3.33Å; S157-E160 WeakPolarHBondContact OG-CB 3.17Å; S157-E160 PolarHBondContact OG-N 3.17Å; E160-F164 WeakPolarHBondContact O-CB 3.49Å; E160-F164 PolarHBondContact O-N 2.88Å; E160-H434 WeakPolarHBondContact CG-NE2 3.45Å; E160-H434 IonicContact OE1-CE1 2.59Å; E160-H434 IonicContact OE1-NE2 3.64Å; E160-H434 PolarHBondContact OE1-NE2 3.23Å; E160-K435 WeakPolarHBondContact OE1-CE 3.41Å; E160-K435 IonicContact OE1-NZ 2.66Å; E160-K435 PolarHBondContact OE1-NZ 2.69Å; E160-K435 IonicContact OE2-NZ 3.83Å
161	L	95.1	Very high	93.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-46.3	174.9	174.6	64.3	0	0	0	111.1	L138 F152 I153 F156 S157 I158 E159 F164 L165	L138-L161 HydrophobicContact CD1-CD2 3.79Å; F152-L161 HydrophobicContact CB-CD1 3.46Å; F152-L161 VanDerWaalsContact CB-CD1 3.46Å; I153-L161 HydrophobicContact CB-CD2 4.41Å; I153-L161 HydrophobicContact CG1-CD2 3.52Å; F156-L161 HydrophobicContact CB-CB 4.09Å; F156-L161 HydrophobicContact CD2-CD1 4.37Å; S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 3.26Å; I158-L161 PolarHBondContact O-N 3.03Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.02Å; L161-F164 PolarHBondContact O-N 2.96Å; L161-L165 HydrophobicContact CD1-CD1 4.1Å; L161-L165 HydrophobicContact CD1-CG 4.14Å; L161-L165 HydrophobicContact CG-CD1 4.02Å; L161-L165 HydrophobicContact CG-CG 4.44Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 3.39Å
162	L	94.7	Very high	93.3	Very high	34 Å²	34	44.7 Å²	44.7	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-45.4	179.6	-66.1	175.5	0	0	0	111.2	I107 V111 L138 I158 E159 F164 L165 Q166	I107-L162 HydrophobicContact CG2-CD2 4.1Å; V111-L162 HydrophobicContact CG1-CD1 4.36Å; V111-L162 HydrophobicContact CG2-CD1 3.97Å; L138-L162 HydrophobicContact CD2-CD2 3.69Å; I158-L162 WeakPolarHBondContact O-CG 3.21Å; I158-L162 PolarHBondContact O-N 2.96Å; E159-L162 PolarHBondContact O-N 3.35Å; L162-F164 VanDerWaalsContact C-N 3.31Å; L162-F164 PolarHBondContact O-N 3.49Å; L162-L165 PolarHBondContact O-N 2.99Å; L162-Q166 WeakPolarHBondContact O-CB 3.36Å; L162-Q166 VanDerWaalsContact O-CG 3.31Å; L162-Q166 WeakPolarHBondContact O-CG 3.41Å; L162-Q166 PolarHBondContact O-N 3.43Å
163	E	95.2	Very high	92.8	Very high	97 Å²	97	46.9 Å²	46.9	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-43.8	175.2	-67.1	176.1	-174.7	0	0	111.4	E159 A167 H434	E159-E163 PolarHBondContact O-N 3.33Å; E163-A167 VanDerWaalsContact O-CB 3.29Å; E163-A167 WeakPolarHBondContact O-CB 3.49Å; E163-A167 PolarHBondContact O-N 3.25Å; E163-H434 HydrophobicContact CB-CB 3.87Å; E163-H434 WeakPolarHBondContact O-CB 3.4Å; E163-H434 IonicContact OE2-CD2 2.74Å
164	F	96	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-43.6	177.6	176.6	-100.2	0	0	0	112.3	F152 F156 E160 L161 L162 A167 N168 V381 P433 H434	F152-F164 AromaticContact CD1-CE1 3.84Å; F152-F164 HydrophobicContact CD1-CE1 3.84Å; F152-F164 HydrophobicContact CD1-CZ 4.45Å; F152-F164 HydrophobicContact CD2-CE1 4.04Å; F152-F164 AromaticContact CE1-CE1 3.67Å; F152-F164 HydrophobicContact CE1-CE1 3.67Å; F152-F164 AromaticContact CE1-CZ 3.98Å; F152-F164 HydrophobicContact CE1-CZ 3.98Å; F152-F164 AromaticContact CE2-CE1 3.84Å; F152-F164 HydrophobicContact CE2-CE1 3.84Å; F152-F164 HydrophobicContact CG-CD1 4.49Å; F152-F164 HydrophobicContact CG-CE1 4.05Å; F152-F164 AromaticContact CZ-CE1 3.68Å; F152-F164 HydrophobicContact CZ-CE1 3.68Å; F152-F164 HydrophobicContact CZ-CZ 4.12Å; F156-F164 HydrophobicContact CD2-CB 4.39Å; F156-F164 HydrophobicContact CD2-CD1 4.25Å; F156-F164 HydrophobicContact CD2-CG 4.25Å; F156-F164 HydrophobicContact CE2-CB 4.14Å; F156-F164 AromaticContact CE2-CD1 3.66Å; F156-F164 HydrophobicContact CE2-CD1 3.66Å; F156-F164 AromaticContact CE2-CD2 3.85Å; F156-F164 HydrophobicContact CE2-CD2 3.85Å; F156-F164 AromaticContact CE2-CE1 3.97Å; F156-F164 HydrophobicContact CE2-CE1 3.97Å; F156-F164 HydrophobicContact CE2-CE2 4.15Å; F156-F164 AromaticContact CE2-CG 3.59Å; F156-F164 HydrophobicContact CE2-CG 3.59Å; F156-F164 HydrophobicContact CE2-CZ 4.21Å; F156-F164 HydrophobicContact CZ-CB 4.46Å; F156-F164 HydrophobicContact CZ-CD1 4.42Å; F156-F164 AromaticContact CZ-CD2 3.77Å; F156-F164 HydrophobicContact CZ-CD2 3.77Å; F156-F164 HydrophobicContact CZ-CE2 4.08Å; F156-F164 AromaticContact CZ-CG 3.96Å; F156-F164 HydrophobicContact CZ-CG 3.96Å; E160-F164 WeakPolarHBondContact O-CB 3.49Å; E160-F164 PolarHBondContact O-N 2.88Å; L161-F164 PolarHBondContact O-N 2.96Å; L162-F164 VanDerWaalsContact C-N 3.31Å; L162-F164 PolarHBondContact O-N 3.49Å; F164-A167 PolarHBondContact O-N 3.07Å; F164-N168 WeakPolarHBondContact CD1-ND2 3.42Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.23Å; F164-N168 VanDerWaalsContact CZ-ND2 3.29Å; F164-N168 WeakPolarHBondContact CZ-ND2 2.96Å; F164-N168 VanDerWaalsContact O-CG 3.32Å; F164-N168 PolarHBondContact O-N 3.36Å; F164-N168 VanDerWaalsContact O-N 3.17Å; F164-N168 PolarHBondContact O-ND2 3.2Å; F164-V381 HydrophobicContact CE2-CG1 4.34Å; F164-V381 HydrophobicContact CZ-CG2 4.2Å; F164-P433 HydrophobicContact CD2-CG 4.48Å; F164-P433 HydrophobicContact CE2-CG 4.12Å; F164-H434 AromaticContact CD2-CE1 3.84Å; F164-H434 AromaticContact CD2-ND1 3.63Å
165	L	95.5	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-49.3	178	-67.8	172.4	0	0	0	110.9	L138 Y142 Y144 M149 F152 L161 L162 A167 N168 E169	L138-L165 HydrophobicContact CD1-CD1 4.28Å; L138-L165 HydrophobicContact CD2-CD1 3.95Å; L138-L165 HydrophobicContact CG-CD1 4.49Å; Y142-L165 HydrophobicContact CD1-CB 4.2Å; Y142-L165 HydrophobicContact CD2-CB 4.17Å; Y142-L165 HydrophobicContact CD2-CD1 3.79Å; Y142-L165 HydrophobicContact CD2-CG 4.47Å; Y142-L165 HydrophobicContact CE1-CB 4.04Å; Y142-L165 HydrophobicContact CE2-CB 4Å; Y142-L165 HydrophobicContact CE2-CD1 3.88Å; Y142-L165 HydrophobicContact CG-CB 4.28Å; Y142-L165 HydrophobicContact CG-CD1 4.49Å; Y144-L165 HydrophobicContact CD2-CD2 4.09Å; Y144-L165 HydrophobicContact CE1-CD2 4.45Å; Y144-L165 HydrophobicContact CE2-CD2 3.48Å; Y144-L165 VanDerWaalsContact CE2-CD2 3.48Å; M149-L165 HydrophobicContact CE-CD1 3.99Å; M149-L165 HydrophobicContact CE-CD2 3.93Å; M149-L165 HydrophobicContact SD-CD1 4.2Å; F152-L165 HydrophobicContact CD2-CD2 4.42Å; L161-L165 HydrophobicContact CD1-CD1 4.1Å; L161-L165 HydrophobicContact CD1-CG 4.14Å; L161-L165 HydrophobicContact CG-CD1 4.02Å; L161-L165 HydrophobicContact CG-CG 4.44Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 3.39Å; L162-L165 PolarHBondContact O-N 2.99Å; L165-A167 VanDerWaalsContact C-N 3.31Å; L165-A167 PolarHBondContact O-N 2.8Å; L165-N168 WeakPolarHBondContact O-CB 3.49Å; L165-N168 PolarHBondContact O-N 3.25Å; L165-E169 PolarHBondContact O-N 3.08Å
166	Q	94.2	Very high	93.1	Very high	88 Å²	88	46.5 Å²	46.5	41%	0.411	24%	0.24	S	C	.	.	H	α-helix	trans	-57.9	-42.7	176.5	-71	174	-22	0	0	112.1	Y142 L162 N168 E169	Y142-Q166 WeakPolarHBondContact OH-CG 3.38Å; L162-Q166 WeakPolarHBondContact O-CB 3.36Å; L162-Q166 VanDerWaalsContact O-CG 3.31Å; L162-Q166 WeakPolarHBondContact O-CG 3.41Å; L162-Q166 PolarHBondContact O-N 3.43Å; Q166-N168 PolarHBondContact O-N 3.25Å; Q166-E169 PolarHBondContact O-N 3.43Å; Q166-E169 VanDerWaalsContact O-N 3.1Å
167	A	94.3	Very high	93.2	Very high	13 Å²	13	45.9 Å²	45.9	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-19.9	176.8	0	0	0	0	0	113.4	E163 F164 L165 R172 P433 H434	E163-A167 VanDerWaalsContact O-CB 3.29Å; E163-A167 WeakPolarHBondContact O-CB 3.49Å; E163-A167 PolarHBondContact O-N 3.25Å; F164-A167 PolarHBondContact O-N 3.07Å; L165-A167 VanDerWaalsContact C-N 3.31Å; L165-A167 PolarHBondContact O-N 2.8Å; A167-R172 PolarHBondContact O-NH2 2.84Å; A167-P433 HydrophobicContact CB-CB 3.77Å; A167-H434 HydrophobicContact CB-CB 3.82Å
168	N	94.5	Very high	93.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-82.6	-19.7	173.1	-70.6	-42	0	0	0	113.2	F164 L165 Q166 I331 S332	F164-N168 WeakPolarHBondContact CD1-ND2 3.42Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.23Å; F164-N168 VanDerWaalsContact CZ-ND2 3.29Å; F164-N168 WeakPolarHBondContact CZ-ND2 2.96Å; F164-N168 VanDerWaalsContact O-CG 3.32Å; F164-N168 PolarHBondContact O-N 3.36Å; F164-N168 VanDerWaalsContact O-N 3.17Å; F164-N168 PolarHBondContact O-ND2 3.2Å; L165-N168 WeakPolarHBondContact O-CB 3.49Å; L165-N168 PolarHBondContact O-N 3.25Å; Q166-N168 PolarHBondContact O-N 3.25Å; N168-I331 HydrophobicContact CB-CB 4.13Å; N168-I331 HydrophobicContact CB-CG2 4.09Å; N168-S332 WeakPolarHBondContact O-CA 3.4Å; N168-S332 WeakPolarHBondContact O-CB 3.5Å
169	E	93.3	Very high	93.8	Very high	87 Å²	87	42.1 Å²	42.1	41%	0.407	21%	0.213	S	C	.	.	H	α-helix	trans	-81.1	-19.6	176.5	-56.4	-46.3	143.2	0	0	113.2	Y142 L165 Q166 K338	Y142-E169 HydrophobicContact CD1-CG 3.75Å; Y142-E169 HydrophobicContact CE1-CG 3.94Å; L165-E169 PolarHBondContact O-N 3.08Å; Q166-E169 PolarHBondContact O-N 3.43Å; Q166-E169 VanDerWaalsContact O-N 3.1Å; E169-K338 WeakPolarHBondContact OE1-CE 3.15Å; E169-K338 IonicContact OE1-NZ 2.76Å; E169-K338 PolarHBondContact OE1-NZ 3.33Å; E169-K338 IonicContact OE2-NZ 3.12Å; E169-K338 PolarHBondContact OE2-NZ 2.77Å
170	V	91.6	Very high	94.1	Very high	83 Å²	83	41.5 Å²	41.5	50%	0.503	21%	0.214	S	C	.	.	S	Bend	trans	-96.2	128.3	178	175.9	0	0	0	0	110	R172 S332	V170-R172 VanDerWaalsContact CB-NH2 3.29Å; V170-R172 VanDerWaalsContact O-CZ 3.22Å; V170-R172 PolarHBondContact O-NE 3.5Å; V170-R172 PolarHBondContact O-NH2 2.77Å; V170-S332 WeakPolarHBondContact O-CB 3.22Å
171	E	88.1	Confident	94.3	Very high	162 Å²	162	41.7 Å²	41.7	76%	0.757	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-61.4	144	174.6	-72.6	-166.5	173.6	0	0	111.3
172	R	87.3	Confident	94.4	Very high	63 Å²	63	45.4 Å²	45.4	24%	0.238	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-84.7	145	176.6	-62.1	-58.6	116.7	-148.4	5.4	109.8	A167 V170 N437	A167-R172 PolarHBondContact O-NH2 2.84Å; V170-R172 VanDerWaalsContact CB-NH2 3.29Å; V170-R172 VanDerWaalsContact O-CZ 3.22Å; V170-R172 PolarHBondContact O-NE 3.5Å; V170-R172 PolarHBondContact O-NH2 2.77Å; R172-N437 PolarHBondContact NH1-OD1 2.64Å
173	P	86.5	Confident	94.5	Very high	47 Å²	47	45 Å²	45	31%	0.305	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-64.1	150.5	-176.9	29.9	-37.6	0	0	0	111.3	V175 V211	P173-V175 PolarHBondContact O-N 3.41Å; P173-V211 HydrophobicContact CB-CG1 3.6Å; P173-V211 HydrophobicContact CG-CG1 3.93Å
174	V	92.8	Very high	94.5	Very high	73 Å²	73	49.1 Å²	49.1	44%	0.442	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.1	-179.8	178.5	0	0	0	0	109.2	V212 I219 I232	V174-V212 HydrophobicContact CB-CB 4.43Å; V174-V212 PolarHBondContact O-N 3.39Å; V174-I219 HydrophobicContact CG1-CG2 4.28Å; V174-I232 HydrophobicContact CG1-CG2 4.42Å
175	V	95.8	Very high	94.5	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.6	179	178.4	0	0	0	0	110.5	P173 V202 L210 V211 Q233 A235 F238	P173-V175 PolarHBondContact O-N 3.41Å; V175-V202 HydrophobicContact CG1-CG2 3.62Å; V175-V202 HydrophobicContact CG2-CG2 4.29Å; V175-L210 WeakPolarHBondContact CA-O 3.45Å; V175-V211 HydrophobicContact CG2-CG2 4.25Å; V175-Q233 CarbonylContact C-O 3.54Å; V175-Q233 WeakPolarHBondContact CB-O 3.46Å; V175-Q233 WeakPolarHBondContact CG1-O 3.38Å; V175-Q233 PolarHBondContact O-N 3.01Å; V175-A235 HydrophobicContact CG1-CB 4.28Å; V175-A235 HydrophobicContact CG2-CB 4.26Å; V175-F238 HydrophobicContact CG1-CE2 4.06Å; V175-F238 HydrophobicContact CG1-CZ 3.9Å
176	I	97.1	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.2	171.4	65.5	174.7	0	0	0	110.4	L192 L210 V212 I219 Y230 M231 I232	I176-L192 HydrophobicContact CD1-CD1 3.6Å; I176-L210 HydrophobicContact CD1-CB 4.28Å; I176-L210 HydrophobicContact CD1-CD1 4.32Å; I176-L210 HydrophobicContact CG1-CB 3.8Å; I176-L210 PolarHBondContact N-O 2.96Å; I176-L210 PolarHBondContact O-N 3.47Å; I176-V212 HydrophobicContact CD1-CG2 4.27Å; I176-V212 HydrophobicContact CG1-CG2 4.28Å; I176-V212 HydrophobicContact CG2-CG2 4.23Å; I176-I219 HydrophobicContact CG2-CG1 4.23Å; I176-I219 HydrophobicContact CG2-CG2 4.29Å; I176-Y230 HydrophobicContact CB-CD2 3.76Å; I176-Y230 HydrophobicContact CB-CE2 4.35Å; I176-Y230 HydrophobicContact CB-CG 4.38Å; I176-Y230 HydrophobicContact CD1-CD2 4.02Å; I176-Y230 HydrophobicContact CD1-CE2 4.27Å; I176-Y230 HydrophobicContact CD1-CG 4.13Å; I176-Y230 HydrophobicContact CG1-CD2 4.45Å; I176-Y230 HydrophobicContact CG2-CD2 3.75Å; I176-Y230 HydrophobicContact CG2-CE2 3.87Å; I176-M231 CarbonylContact C-O 3.19Å; I176-M231 WeakPolarHBondContact CA-O 3.17Å; I176-I232 HydrophobicContact CG2-CG1 4.21Å
177	R	97.8	Very high	94.7	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.2	172.4	-165.8	-164.6	71.1	-144.8	11.1	109.9	V208 Y230 M231 F238 G261 S264	R177-V208 HydrophobicContact CG-CB 4.29Å; R177-V208 HydrophobicContact CG-CG2 3.77Å; R177-Y230 CarbonylContact O-C 3.52Å; R177-Y230 WeakPolarHBondContact O-CA 3.32Å; R177-Y230 WeakPolarHBondContact O-CB 3.42Å; R177-M231 PolarHBondContact N-O 3.39Å; R177-M231 PolarHBondContact O-N 2.88Å; R177-F238 HydrophobicContact CB-CE1 3.63Å; R177-F238 HydrophobicContact CB-CZ 3.63Å; R177-F238 HydrophobicContact CG-CD1 4.4Å; R177-F238 HydrophobicContact CG-CE1 3.76Å; R177-F238 HydrophobicContact CG-CZ 3.9Å; R177-G261 PolarHBondContact NH1-O 3.32Å; R177-S264 PolarHBondContact NH1-OG 3.43Å; R177-S264 PolarHBondContact NH2-OG 2.99Å
178	C	97.9	Very high	94.9	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	135.3	169.5	-173.6	0	0	0	0	110.9	T180 R185 L188 V208	C178-T180 PolarHBondContact O-N 3.23Å; C178-R185 HydrophobicContact CB-CB 4.39Å; C178-L188 HydrophobicContact CB-CD2 3.85Å; C178-V208 HydrophobicContact CB-CB 4.25Å; C178-V208 VanDerWaalsContact CB-O 3.3Å; C178-V208 WeakPolarHBondContact CB-O 3.31Å; C178-V208 PolarHBondContact N-O 2.87Å
179	N	98	Very high	95	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.			trans	-90.5	95.9	171.9	-176.8	12	0	0	0	109.7	L181 K182 T183 G228 H229 L296	N179-L181 PolarHBondContact O-N 3.33Å; N179-L181 WeakPolarHBondContact OD1-CB 3.38Å; N179-L181 PolarHBondContact OD1-N 2.86Å; N179-K182 PolarHBondContact O-N 3.09Å; N179-T183 PolarHBondContact O-N 3.05Å; N179-T183 VanDerWaalsContact O-N 3.14Å; N179-G228 VanDerWaalsContact CB-O 3.32Å; N179-G228 WeakPolarHBondContact CB-O 3.48Å; N179-G228 PolarHBondContact ND2-O 3.15Å; N179-H229 VanDerWaalsContact CB-O 3.31Å; N179-H229 WeakPolarHBondContact CB-O 3.32Å; N179-H229 PolarHBondContact N-O 3.42Å; N179-L296 HydrophobicContact CB-CD2 4.36Å; N179-L296 PolarHBondContact ND2-O 3.45Å
180	T	97.5	Very high	95.1	Very high	68 Å²	68	55.7 Å²	55.7	42%	0.417	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.6	-179.1	53.2	0	0	0	0	114.2	C178 K182 T183 V208	C178-T180 PolarHBondContact O-N 3.23Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-T183 WeakPolarHBondContact CA-O 3.06Å; T180-V208 HydrophobicContact CG2-CG1 3.58Å
181	L	97	Very high	95.4	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.209	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.5	170.1	-61.8	172.2	0	0	0	113.3	N179 A268 N272 V298	N179-L181 PolarHBondContact O-N 3.33Å; N179-L181 WeakPolarHBondContact OD1-CB 3.38Å; N179-L181 PolarHBondContact OD1-N 2.86Å; L181-A268 HydrophobicContact CD1-CB 4.24Å; L181-A268 HydrophobicContact CG-CB 3.96Å; L181-N272 HydrophobicContact CD2-CB 4.44Å; L181-V298 HydrophobicContact CD1-CG2 4.15Å
182	K	96.9	Very high	95.8	Very high	81 Å²	81	45.7 Å²	45.7	35%	0.352	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-30.7	-174.4	-69.2	-168.9	174.1	-178.3	0	114	N179 T180 A227 R295	N179-K182 PolarHBondContact O-N 3.09Å; T180-K182 VanDerWaalsContact C-N 3.27Å; K182-A227 WeakPolarHBondContact CD-O 3.3Å; K182-A227 PolarHBondContact NZ-O 3.47Å; K182-R295 PolarHBondContact NZ-O 2.96Å
183	T	96.9	Very high	96.2	Very high	25 Å²	25	47 Å²	47	15%	0.153	24%	0.241	C	C	.	.			trans	-156.4	162.1	-174.6	-171.8	0	0	0	0	111.2	N179 T180 L188 H229	N179-T183 PolarHBondContact O-N 3.05Å; N179-T183 VanDerWaalsContact O-N 3.14Å; T180-T183 WeakPolarHBondContact CA-O 3.06Å; T183-L188 HydrophobicContact CG2-CB 4.01Å; T183-H229 HydrophobicContact CG2-CB 3.94Å
184	R	96.6	Very high	96.6	Very high	185 Å²	185	51.5 Å²	51.5	70%	0.698	26%	0.263	S	S	*	.			trans	-88.5	155.8	171.3	-56.6	177.6	174.9	-124.2	2.1	109.7	T186 D187 L188	R184-T186 PolarHBondContact O-N 2.91Å; R184-D187 WeakPolarHBondContact CB-OD2 3.41Å; R184-D187 PolarHBondContact O-N 3.21Å; R184-L188 WeakPolarHBondContact O-CB 3.32Å; R184-L188 PolarHBondContact O-N 3.24Å
185	R	96.1	Very high	96.6	Very high	77 Å²	77	52.8 Å²	52.8	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-39.1	178.1	-177.2	-175.6	64.6	171.7	2.7	111.7	C178 A189 S206 K207 L210	C178-R185 HydrophobicContact CB-CB 4.39Å; R185-A189 VanDerWaalsContact O-CB 3.28Å; R185-A189 WeakPolarHBondContact O-CB 3.1Å; R185-A189 PolarHBondContact O-N 2.77Å; R185-S206 PolarHBondContact NH1-O 3.11Å; R185-K207 VanDerWaalsContact CD-O 3.3Å; R185-K207 WeakPolarHBondContact CD-O 3.23Å; R185-K207 PolarHBondContact NE-O 3.33Å; R185-L210 HydrophobicContact CG-CD1 4.24Å; R185-L210 HydrophobicContact CG-CD2 3.86Å; R185-L210 HydrophobicContact CG-CG 4.04Å
186	T	96	Very high	96.5	Very high	77 Å²	77	54.7 Å²	54.7	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-49.1	178.1	46.8	0	0	0	0	111.6	R184 L188 A189 K190	R184-T186 PolarHBondContact O-N 2.91Å; T186-L188 PolarHBondContact O-N 3.17Å; T186-A189 WeakPolarHBondContact O-CB 3.45Å; T186-A189 PolarHBondContact O-N 3.01Å; T186-K190 WeakPolarHBondContact O-CG 3.43Å; T186-K190 PolarHBondContact O-N 2.85Å
187	D	97.3	Very high	96.4	Very high	72 Å²	72	54.8 Å²	54.8	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-40.4	-178.3	-50.8	-26.4	0	0	0	110.9	R184 K190 A191	R184-D187 WeakPolarHBondContact CB-OD2 3.41Å; R184-D187 PolarHBondContact O-N 3.21Å; D187-K190 PolarHBondContact O-N 3.37Å; D187-A191 WeakPolarHBondContact O-CB 3.41Å; D187-A191 PolarHBondContact O-N 3.1Å
188	L	97.4	Very high	96.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-45.4	173.3	176.5	62	0	0	0	111.7	C178 T183 R184 T186 A191 L192 L210 E224 H229 Y230	C178-L188 HydrophobicContact CB-CD2 3.85Å; T183-L188 HydrophobicContact CG2-CB 4.01Å; R184-L188 WeakPolarHBondContact O-CB 3.32Å; R184-L188 PolarHBondContact O-N 3.24Å; T186-L188 PolarHBondContact O-N 3.17Å; L188-A191 PolarHBondContact O-N 3.03Å; L188-L192 HydrophobicContact CD1-CD1 3.87Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CG-CD1 4.05Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 2.84Å; L188-L210 HydrophobicContact CD2-CD1 4.21Å; L188-L210 HydrophobicContact CG-CD1 4.4Å; L188-E224 HydrophobicContact CD1-CB 4.47Å; L188-H229 HydrophobicContact CD1-CB 4.12Å; L188-Y230 HydrophobicContact CD1-CD1 3.68Å; L188-Y230 HydrophobicContact CD1-CE1 4.2Å; L188-Y230 HydrophobicContact CD2-CD1 4.17Å; L188-Y230 HydrophobicContact CD2-CG 4.36Å
189	A	96.7	Very high	96.2	Very high	16 Å²	16	60 Å²	60	13%	0.132	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-49.7	177.5	0	0	0	0	0	110.8	R185 T186 A191 L192 I193 L199 L210	R185-A189 VanDerWaalsContact O-CB 3.28Å; R185-A189 WeakPolarHBondContact O-CB 3.1Å; R185-A189 PolarHBondContact O-N 2.77Å; T186-A189 WeakPolarHBondContact O-CB 3.45Å; T186-A189 PolarHBondContact O-N 3.01Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 2.85Å; A189-I193 WeakPolarHBondContact O-CB 3.42Å; A189-I193 WeakPolarHBondContact O-CD1 3.42Å; A189-I193 WeakPolarHBondContact O-CG1 3.15Å; A189-I193 PolarHBondContact O-N 2.84Å; A189-L199 HydrophobicContact CB-CD1 3.7Å; A189-L210 HydrophobicContact CB-CD1 4.29Å
190	K	96.9	Very high	96	Very high	86 Å²	86	67.4 Å²	67.4	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-55.2	-47.6	175.1	-70.6	178.4	-177.3	-174.5	0	111.5	T186 D187 L192 I193 N194	T186-K190 WeakPolarHBondContact O-CG 3.43Å; T186-K190 PolarHBondContact O-N 2.85Å; D187-K190 PolarHBondContact O-N 3.37Å; K190-L192 PolarHBondContact O-N 3.17Å; K190-I193 PolarHBondContact O-N 3.27Å; K190-N194 WeakPolarHBondContact O-CB 3.32Å; K190-N194 PolarHBondContact O-N 3.41Å; K190-N194 PolarHBondContact O-ND2 2.84Å
191	A	96.1	Very high	95.9	Very high	34 Å²	34	67.7 Å²	67.7	28%	0.281	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-39.4	-179.8	0	0	0	0	0	113.2	D187 L188 A189	D187-A191 WeakPolarHBondContact O-CB 3.41Å; D187-A191 PolarHBondContact O-N 3.1Å; L188-A191 PolarHBondContact O-N 3.03Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 3.13Å
192	L	96.6	Very high	95.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-76.5	-38.6	178.4	-70.4	176.8	0	0	0	112.3	I176 L188 A189 K190 N194 R195 V197 L199 I219 Y230	I176-L192 HydrophobicContact CD1-CD1 3.6Å; L188-L192 HydrophobicContact CD1-CD1 3.87Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CG-CD1 4.05Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 2.84Å; A189-L192 PolarHBondContact O-N 2.85Å; K190-L192 PolarHBondContact O-N 3.17Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 3.01Å; L192-R195 WeakPolarHBondContact O-CA 3.33Å; L192-R195 WeakPolarHBondContact O-CB 3.37Å; L192-R195 PolarHBondContact O-N 3.18Å; L192-V197 HydrophobicContact CB-CB 4.05Å; L192-V197 HydrophobicContact CB-CG1 4.5Å; L192-V197 HydrophobicContact CB-CG2 4.22Å; L192-V197 HydrophobicContact CD2-CG2 4.36Å; L192-V197 VanDerWaalsContact O-CB 3.29Å; L192-V197 WeakPolarHBondContact O-CB 3.1Å; L192-V197 WeakPolarHBondContact O-CG2 3.39Å; L192-V197 PolarHBondContact O-N 3.2Å; L192-V197 VanDerWaalsContact O-N 3.08Å; L192-L199 HydrophobicContact CB-CD2 3.51Å; L192-L199 HydrophobicContact CD1-CD2 3.87Å; L192-L199 HydrophobicContact CG-CD2 4.35Å; L192-I219 HydrophobicContact CD2-CD1 4.38Å; L192-Y230 HydrophobicContact CD1-CE1 4.28Å; L192-Y230 HydrophobicContact CD2-CE1 4.17Å
193	I	95.7	Very high	95.3	Very high	91 Å²	91	64.2 Å²	64.2	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-41.8	175.1	-70.3	164.8	0	0	0	110.6	A189 K190 R195 G196 L199	A189-I193 WeakPolarHBondContact O-CB 3.42Å; A189-I193 WeakPolarHBondContact O-CD1 3.42Å; A189-I193 WeakPolarHBondContact O-CG1 3.15Å; A189-I193 PolarHBondContact O-N 2.84Å; K190-I193 PolarHBondContact O-N 3.27Å; I193-R195 PolarHBondContact O-N 2.72Å; I193-G196 WeakPolarHBondContact O-CA 3.27Å; I193-G196 PolarHBondContact O-N 3.32Å; I193-L199 HydrophobicContact CD1-CD1 4.21Å; I193-L199 HydrophobicContact CG1-CD1 4.34Å; I193-L199 HydrophobicContact CG1-CD2 4.36Å; I193-L199 HydrophobicContact CG1-CG 4.14Å
194	N	95	Very high	94.9	Very high	141 Å²	141	71.4 Å²	71.4	75%	0.754	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.1	175.1	-72.1	-17.1	0	0	0	113.7	K190 L192	K190-N194 WeakPolarHBondContact O-CB 3.32Å; K190-N194 PolarHBondContact O-N 3.41Å; K190-N194 PolarHBondContact O-ND2 2.84Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 3.01Å
195	R	93	Very high	94.7	Very high	100 Å²	100	65.4 Å²	65.4	38%	0.377	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2	172.6	-66.6	179	173	-85.6	2.6	113.5	L192 I193 V197 P216 N223 E224	L192-R195 WeakPolarHBondContact O-CA 3.33Å; L192-R195 WeakPolarHBondContact O-CB 3.37Å; L192-R195 PolarHBondContact O-N 3.18Å; I193-R195 PolarHBondContact O-N 2.72Å; R195-V197 HydrophobicContact CB-CG2 4.41Å; R195-P216 VanDerWaalsContact O-CG 3.24Å; R195-P216 WeakPolarHBondContact O-CG 3.46Å; R195-N223 PolarHBondContact NH2-ND2 3.01Å; R195-E224 IonicContact CZ-OE1 3.9Å; R195-E224 VanDerWaalsContact CZ-OE1 3.24Å; R195-E224 IonicContact CZ-OE2 3.24Å; R195-E224 IonicContact NE-OE1 2.8Å; R195-E224 PolarHBondContact NE-OE1 3.14Å; R195-E224 IonicContact NE-OE2 2.97Å; R195-E224 PolarHBondContact NE-OE2 2.61Å; R195-E224 IonicContact NH2-OE1 2.68Å; R195-E224 PolarHBondContact NH2-OE1 2.83Å; R195-E224 IonicContact NH2-OE2 2.81Å; R195-E224 PolarHBondContact NH2-OE2 3.43Å
196	G	94.4	Very high	94.6	Very high	52 Å²	52	61.8 Å²	61.8	54%	0.536	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	16.3	-175.3	0	0	0	0	0	114.3	I193 P216	I193-G196 WeakPolarHBondContact O-CA 3.27Å; I193-G196 PolarHBondContact O-N 3.32Å; G196-P216 WeakPolarHBondContact O-CD 3.43Å
197	V	95.4	Very high	94.5	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.018	35%	0.348	C	S	.	.			trans	-79.8	124.8	174.1	-175.2	0	0	0	0	109.6	L192 R195 L199 V212 S215 I219	L192-V197 HydrophobicContact CB-CB 4.05Å; L192-V197 HydrophobicContact CB-CG1 4.5Å; L192-V197 HydrophobicContact CB-CG2 4.22Å; L192-V197 HydrophobicContact CD2-CG2 4.36Å; L192-V197 VanDerWaalsContact O-CB 3.29Å; L192-V197 WeakPolarHBondContact O-CB 3.1Å; L192-V197 WeakPolarHBondContact O-CG2 3.39Å; L192-V197 PolarHBondContact O-N 3.2Å; L192-V197 VanDerWaalsContact O-N 3.08Å; R195-V197 HydrophobicContact CB-CG2 4.41Å; V197-L199 HydrophobicContact CG1-CD2 4.21Å; V197-V212 HydrophobicContact CG1-CG1 3.9Å; V197-S215 WeakPolarHBondContact CG2-OG 3.26Å; V197-I219 HydrophobicContact CG1-CD1 3.93Å; V197-I219 HydrophobicContact CG2-CD1 4.15Å
198	N	94.9	Very high	94.4	Very high	93 Å²	93	63.7 Å²	63.7	50%	0.497	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.5	172.2	-173.8	4.2	0	0	0	109.8	Y213 G214	N198-Y213 PolarHBondContact O-N 3.4Å; N198-G214 PolarHBondContact N-O 3.3Å
199	L	95.7	Very high	94.4	Very high	17 Å²	17	63.7 Å²	63.7	9%	0.089	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.2	-176.6	59.3	86.5	0	0	0	112.1	A189 L192 I193 V197 L210 V211	A189-L199 HydrophobicContact CB-CD1 3.7Å; L192-L199 HydrophobicContact CB-CD2 3.51Å; L192-L199 HydrophobicContact CD1-CD2 3.87Å; L192-L199 HydrophobicContact CG-CD2 4.35Å; I193-L199 HydrophobicContact CD1-CD1 4.21Å; I193-L199 HydrophobicContact CG1-CD1 4.34Å; I193-L199 HydrophobicContact CG1-CD2 4.36Å; I193-L199 HydrophobicContact CG1-CG 4.14Å; V197-L199 HydrophobicContact CG1-CD2 4.21Å; L199-L210 HydrophobicContact CD1-CD1 4.29Å; L199-L210 HydrophobicContact CD1-CD2 4.09Å; L199-V211 CarbonylContact C-O 3.58Å; L199-V211 WeakPolarHBondContact CA-O 3.44Å; L199-V211 WeakPolarHBondContact CB-O 3.34Å
200	R	94.5	Very high	94.4	Very high	157 Å²	157	63 Å²	63	59%	0.592	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.1	170.2	-63.1	-176.3	173	176.5	-3.9	110.7	L210 V211 Y213	R200-L210 CarbonylContact O-C 3.54Å; R200-L210 WeakPolarHBondContact O-CA 3.4Å; R200-V211 PolarHBondContact N-O 2.99Å; R200-V211 PolarHBondContact O-N 3.49Å; R200-Y213 HydrophobicContact CB-CE2 3.91Å; R200-Y213 HydrophobicContact CG-CD2 4.39Å; R200-Y213 HydrophobicContact CG-CE2 3.8Å
201	P	95.2	Very high	94.3	Very high	73 Å²	73	59.4 Å²	59.4	47%	0.474	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	142.3	167.9	-24.4	35.3	0	0	0	111.9	G203	P201-G203 PolarHBondContact O-N 3.35Å
202	V	91.8	Very high	94.3	Very high	30 Å²	30	58.5 Å²	58.5	18%	0.182	30%	0.303	C	S	.	.	S	Bend	trans	-62.3	-28.2	175.9	173.9	0	0	0	0	112.5	V175 W205 G209 V211 A235	V175-V202 HydrophobicContact CG1-CG2 3.62Å; V175-V202 HydrophobicContact CG2-CG2 4.29Å; V202-W205 HydrophobicContact CG1-CH2 4.08Å; V202-W205 HydrophobicContact CG1-CZ2 3.36Å; V202-G209 VanDerWaalsContact CG2-C 3.47Å; V202-G209 PolarHBondContact N-O 2.75Å; V202-V211 HydrophobicContact CB-CG2 4.1Å; V202-V211 HydrophobicContact CG2-CG2 3.59Å; V202-A235 HydrophobicContact CG1-CB 3.85Å
203	G	89	Confident	94.1	Very high	19 Å²	19	65 Å²	65	20%	0.196	33%	0.328	C	S	.	.			trans	152.9	169.7	179	0	0	0	0	0	110.7	P201 W205 S206	P201-G203 PolarHBondContact O-N 3.35Å; G203-W205 PolarHBondContact O-N 3.34Å; G203-W205 VanDerWaalsContact O-N 3.09Å; G203-S206 PolarHBondContact O-N 3.31Å; G203-S206 VanDerWaalsContact O-N 3.13Å
204	N	89	Confident	94	Very high	175 Å²	175	62.2 Å²	62.2	94%	0.936	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.1	-173.5	-62	-8.1	0	0	0	113.2	S206	N204-S206 VanDerWaalsContact C-N 3.32Å; N204-S206 PolarHBondContact O-N 3.36Å
205	W	92.1	Very high	93.8	Very high	59 Å²	59	57.4 Å²	57.4	22%	0.223	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.3	177.6	63.6	-95.3	0	0	0	114.1	V202 G203 A235 F238 L239 L242 F408 M438	V202-W205 HydrophobicContact CG1-CH2 4.08Å; V202-W205 HydrophobicContact CG1-CZ2 3.36Å; G203-W205 PolarHBondContact O-N 3.34Å; G203-W205 VanDerWaalsContact O-N 3.09Å; W205-A235 HydrophobicContact CH2-CB 4.06Å; W205-A235 HydrophobicContact CZ2-CB 4.17Å; W205-F238 HydrophobicContact CH2-CB 4.49Å; W205-F238 HydrophobicContact CH2-CD2 4.05Å; W205-F238 HydrophobicContact CZ3-CB 4.13Å; W205-F238 HydrophobicContact CZ3-CD2 4.18Å; W205-L239 HydrophobicContact CE3-CD2 4.13Å; W205-L239 HydrophobicContact CH2-CD2 4.17Å; W205-L239 HydrophobicContact CZ3-CD2 3.74Å; W205-L242 HydrophobicContact CE3-CD1 3.95Å; W205-L242 HydrophobicContact CZ3-CD1 3.97Å; W205-F408 HydrophobicContact CB-CD1 4.14Å; W205-F408 HydrophobicContact CB-CE1 3.82Å; W205-F408 AromaticContact CD1-CE1 3.87Å; W205-F408 AromaticContact CD2-CE1 3.54Å; W205-F408 HydrophobicContact CD2-CE1 3.54Å; W205-F408 AromaticContact CD2-CZ 3.78Å; W205-F408 HydrophobicContact CD2-CZ 3.78Å; W205-F408 AromaticContact CE2-CE1 3.99Å; W205-F408 AromaticContact CE2-CZ 3.73Å; W205-F408 AromaticContact CE3-CE1 3.94Å; W205-F408 HydrophobicContact CE3-CE1 3.94Å; W205-F408 HydrophobicContact CE3-CZ 4.24Å; W205-F408 HydrophobicContact CG-CD1 4.14Å; W205-F408 AromaticContact CG-CE1 3.47Å; W205-F408 HydrophobicContact CG-CE1 3.47Å; W205-F408 VanDerWaalsContact CG-CE1 3.47Å; W205-F408 HydrophobicContact CG-CZ 4.02Å; W205-F408 HydrophobicContact CZ2-CZ 4.14Å; W205-F408 AromaticContact NE1-CZ 3.94Å; W205-M438 HydrophobicContact CH2-SD 4.23Å; W205-M438 HydrophobicContact CZ2-SD 3.8Å
206	S	93.6	Very high	93.7	Very high	1 Å²	1	57 Å²	57	1%	0.007	31%	0.31	C	S	.	.			trans	-125	120.6	-179.8	-176.9	0	0	0	0	112.5	R185 G203 N204 V208 G209	R185-S206 PolarHBondContact NH1-O 3.11Å; G203-S206 PolarHBondContact O-N 3.31Å; G203-S206 VanDerWaalsContact O-N 3.13Å; N204-S206 VanDerWaalsContact C-N 3.32Å; N204-S206 PolarHBondContact O-N 3.36Å; S206-V208 VanDerWaalsContact C-N 3.3Å; S206-V208 PolarHBondContact O-N 2.89Å; S206-V208 PolarHBondContact OG-N 2.9Å; S206-G209 PolarHBondContact OG-N 2.77Å; S206-G209 VanDerWaalsContact OG-N 3.09Å
207	K	93.8	Very high	93.6	Very high	182 Å²	182	57.6 Å²	57.6	79%	0.791	30%	0.303	S	S	*	.	S	Bend	trans	-80.2	-7.1	175.7	-63.3	-175.1	177.9	-173.8	0	114	R185	R185-K207 VanDerWaalsContact CD-O 3.3Å; R185-K207 WeakPolarHBondContact CD-O 3.23Å; R185-K207 PolarHBondContact NE-O 3.33Å
208	V	96.4	Very high	93.5	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.048	33%	0.332	C	S	.	.	S	Bend	trans	-127.3	-13	-171.6	-61.4	0	0	0	0	114.5	R177 C178 T180 S206 Y265	R177-V208 HydrophobicContact CG-CB 4.29Å; R177-V208 HydrophobicContact CG-CG2 3.77Å; C178-V208 HydrophobicContact CB-CB 4.25Å; C178-V208 VanDerWaalsContact CB-O 3.3Å; C178-V208 WeakPolarHBondContact CB-O 3.31Å; C178-V208 PolarHBondContact N-O 2.87Å; T180-V208 HydrophobicContact CG2-CG1 3.58Å; S206-V208 VanDerWaalsContact C-N 3.3Å; S206-V208 PolarHBondContact O-N 2.89Å; S206-V208 PolarHBondContact OG-N 2.9Å; V208-Y265 HydrophobicContact CG2-CE2 3.93Å
209	G	96.7	Very high	93.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	136.3	-175.9	0	0	0	0	0	113.3	V202 S206	V202-G209 VanDerWaalsContact CG2-C 3.47Å; V202-G209 PolarHBondContact N-O 2.75Å; S206-G209 PolarHBondContact OG-N 2.77Å; S206-G209 VanDerWaalsContact OG-N 3.09Å
210	L	96.7	Very high	93.2	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.6	169.7	-61.5	169.2	0	0	0	109.8	V175 I176 R185 L188 A189 L199 R200	V175-L210 WeakPolarHBondContact CA-O 3.45Å; I176-L210 HydrophobicContact CD1-CB 4.28Å; I176-L210 HydrophobicContact CD1-CD1 4.32Å; I176-L210 HydrophobicContact CG1-CB 3.8Å; I176-L210 PolarHBondContact N-O 2.96Å; I176-L210 PolarHBondContact O-N 3.47Å; R185-L210 HydrophobicContact CG-CD1 4.24Å; R185-L210 HydrophobicContact CG-CD2 3.86Å; R185-L210 HydrophobicContact CG-CG 4.04Å; L188-L210 HydrophobicContact CD2-CD1 4.21Å; L188-L210 HydrophobicContact CG-CD1 4.4Å; A189-L210 HydrophobicContact CB-CD1 4.29Å; L199-L210 HydrophobicContact CD1-CD1 4.29Å; L199-L210 HydrophobicContact CD1-CD2 4.09Å; R200-L210 CarbonylContact O-C 3.54Å; R200-L210 WeakPolarHBondContact O-CA 3.4Å
211	V	95.8	Very high	93.1	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.7	171	-173.5	0	0	0	0	108	P173 V175 L199 R200 V202 Y213	P173-V211 HydrophobicContact CB-CG1 3.6Å; P173-V211 HydrophobicContact CG-CG1 3.93Å; V175-V211 HydrophobicContact CG2-CG2 4.25Å; L199-V211 CarbonylContact C-O 3.58Å; L199-V211 WeakPolarHBondContact CA-O 3.44Å; L199-V211 WeakPolarHBondContact CB-O 3.34Å; R200-V211 PolarHBondContact N-O 2.99Å; R200-V211 PolarHBondContact O-N 3.49Å; V202-V211 HydrophobicContact CB-CG2 4.1Å; V202-V211 HydrophobicContact CG2-CG2 3.59Å; V211-Y213 HydrophobicContact CB-CE2 4.26Å; V211-Y213 HydrophobicContact CG1-CE1 4.25Å; V211-Y213 HydrophobicContact CG1-CE2 4.07Å
212	V	95.4	Very high	93.1	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.3	177.9	-177.8	0	0	0	0	108.3	V174 I176 V197 I219	V174-V212 HydrophobicContact CB-CB 4.43Å; V174-V212 PolarHBondContact O-N 3.39Å; I176-V212 HydrophobicContact CD1-CG2 4.27Å; I176-V212 HydrophobicContact CG1-CG2 4.28Å; I176-V212 HydrophobicContact CG2-CG2 4.23Å; V197-V212 HydrophobicContact CG1-CG1 3.9Å; V212-I219 HydrophobicContact CG1-CD1 4.49Å; V212-I219 HydrophobicContact CG2-CG1 4.31Å
213	Y	92.8	Very high	93.2	Very high	136 Å²	136	54.8 Å²	54.8	53%	0.533	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-26.1	178.7	-67.1	-78.6	0	0	0	112.7	N198 R200 V211	N198-Y213 PolarHBondContact O-N 3.4Å; R200-Y213 HydrophobicContact CB-CE2 3.91Å; R200-Y213 HydrophobicContact CG-CD2 4.39Å; R200-Y213 HydrophobicContact CG-CE2 3.8Å; V211-Y213 HydrophobicContact CB-CE2 4.26Å; V211-Y213 HydrophobicContact CG1-CE1 4.25Å; V211-Y213 HydrophobicContact CG1-CE2 4.07Å
214	G	92.2	Very high	93.6	Very high	33 Å²	33	55 Å²	55	34%	0.34	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	146.5	179.6	0	0	0	0	0	110.6	N198	N198-G214 PolarHBondContact N-O 3.3Å
215	S	92.1	Very high	94	Very high	40 Å²	40	49 Å²	49	28%	0.28	28%	0.276	S	S	.	.			trans	-149.9	135	177.7	-179	0	0	0	0	109.3	V197 V217	V197-S215 WeakPolarHBondContact CG2-OG 3.26Å; S215-V217 VanDerWaalsContact CB-O 3.26Å; S215-V217 WeakPolarHBondContact CB-O 3.45Å; S215-V217 PolarHBondContact O-N 3.2Å; S215-V217 PolarHBondContact OG-O 3.07Å
216	P	91.2	Very high	94.1	Very high	92 Å²	92	51.5 Å²	51.5	60%	0.597	29%	0.293	S	S	*	.	S	Bend	trans	-68.4	-20	178.1	27	-33.9	0	0	0	112.6	R195 G196	R195-P216 VanDerWaalsContact O-CG 3.24Å; R195-P216 WeakPolarHBondContact O-CG 3.46Å; G196-P216 WeakPolarHBondContact O-CD 3.43Å
217	V	90.7	Very high	94.2	Very high	64 Å²	64	53.6 Å²	53.6	39%	0.388	31%	0.31	S	S	.	.	S	Bend	trans	-126.7	152.2	175.3	-63.5	0	0	0	0	110.4	S215 I219 T222	S215-V217 VanDerWaalsContact CB-O 3.26Å; S215-V217 WeakPolarHBondContact CB-O 3.45Å; S215-V217 PolarHBondContact O-N 3.2Å; S215-V217 PolarHBondContact OG-O 3.07Å; V217-I219 PolarHBondContact O-N 3.24Å; V217-T222 HydrophobicContact CG2-CG2 3.93Å
218	P	93.2	Very high	94.4	Very high	98 Å²	98	44.9 Å²	44.9	64%	0.636	27%	0.272	S	S	*	.			trans	-53.3	128	173	-26.5	35	0	0	0	111.1	G220 A221	P218-G220 PolarHBondContact O-N 3.07Å; P218-A221 HydrophobicContact CB-CB 4.26Å; P218-A221 WeakPolarHBondContact O-CB 3.29Å; P218-A221 PolarHBondContact O-N 3.38Å
219	I	92.7	Very high	94.5	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.092	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.9	-174.9	-148.3	64.2	0	0	0	112.3	V174 I176 L192 V197 V212 V217 A221 T222 Y230 I232	V174-I219 HydrophobicContact CG1-CG2 4.28Å; I176-I219 HydrophobicContact CG2-CG1 4.23Å; I176-I219 HydrophobicContact CG2-CG2 4.29Å; L192-I219 HydrophobicContact CD2-CD1 4.38Å; V197-I219 HydrophobicContact CG1-CD1 3.93Å; V197-I219 HydrophobicContact CG2-CD1 4.15Å; V212-I219 HydrophobicContact CG1-CD1 4.49Å; V212-I219 HydrophobicContact CG2-CG1 4.31Å; V217-I219 PolarHBondContact O-N 3.24Å; I219-A221 VanDerWaalsContact C-N 3.32Å; I219-T222 HydrophobicContact CD1-CG2 4.31Å; I219-Y230 HydrophobicContact CG1-CE2 4.01Å; I219-Y230 WeakPolarHBondContact CG1-OH 3.37Å; I219-Y230 WeakPolarHBondContact O-CE2 3.37Å; I219-Y230 PolarHBondContact O-OH 3.2Å; I219-I232 HydrophobicContact CG2-CD1 3.58Å; I219-I232 HydrophobicContact CG2-CG1 3.85Å
220	G	92.9	Very high	94.5	Very high	30 Å²	30	47.2 Å²	47.2	31%	0.309	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.8	172.5	0	0	0	0	0	115	P218 Y225	P218-G220 PolarHBondContact O-N 3.07Å; G220-Y225 WeakPolarHBondContact O-CD1 3.41Å; G220-Y225 VanDerWaalsContact O-CE1 3.23Å; G220-Y225 WeakPolarHBondContact O-CE1 3.28Å
221	A	92.7	Very high	94.5	Very high	59 Å²	59	47.7 Å²	47.7	49%	0.488	28%	0.284	S	S	.	.	S	Bend	trans	-119.9	4.1	-176.6	0	0	0	0	0	113.4	P218 I219	P218-A221 HydrophobicContact CB-CB 4.26Å; P218-A221 WeakPolarHBondContact O-CB 3.29Å; P218-A221 PolarHBondContact O-N 3.38Å; I219-A221 VanDerWaalsContact C-N 3.32Å
222	T	94.5	Very high	94.5	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.025	30%	0.299	C	S	.	.	S	Bend	trans	-72.2	155.6	177.2	68.5	0	0	0	0	111.3	V217 I219 E224 Y225 L226 Y230	V217-T222 HydrophobicContact CG2-CG2 3.93Å; I219-T222 HydrophobicContact CD1-CG2 4.31Å; T222-E224 WeakPolarHBondContact CB-OE2 3.27Å; T222-E224 PolarHBondContact O-N 3.24Å; T222-Y225 WeakPolarHBondContact O-CB 3.35Å; T222-Y225 PolarHBondContact O-N 2.98Å; T222-Y225 WeakPolarHBondContact OG1-CB 3.37Å; T222-Y225 PolarHBondContact OG1-N 2.65Å; T222-L226 WeakPolarHBondContact O-CG 3.49Å; T222-L226 PolarHBondContact O-N 3.47Å; T222-Y230 PolarHBondContact OG1-OH 2.91Å
223	N	94.7	Very high	94.4	Very high	104 Å²	104	50.7 Å²	50.7	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-61.1	-35.8	175.9	-67.1	-12.3	0	0	0	111.4	R195 L226 A227	R195-N223 PolarHBondContact NH2-ND2 3.01Å; N223-L226 PolarHBondContact O-N 3.04Å; N223-A227 WeakPolarHBondContact O-CB 3.31Å; N223-A227 PolarHBondContact O-N 2.66Å
224	E	96.5	Very high	94.4	Very high	23 Å²	23	46.6 Å²	46.6	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-38.8	178.8	-63.2	73.5	-160.3	0	0	110.8	L188 R195 T222 G228 H229 Y230	L188-E224 HydrophobicContact CD1-CB 4.47Å; R195-E224 IonicContact CZ-OE1 3.9Å; R195-E224 VanDerWaalsContact CZ-OE1 3.24Å; R195-E224 IonicContact CZ-OE2 3.24Å; R195-E224 IonicContact NE-OE1 2.8Å; R195-E224 PolarHBondContact NE-OE1 3.14Å; R195-E224 IonicContact NE-OE2 2.97Å; R195-E224 PolarHBondContact NE-OE2 2.61Å; R195-E224 IonicContact NH2-OE1 2.68Å; R195-E224 PolarHBondContact NH2-OE1 2.83Å; R195-E224 IonicContact NH2-OE2 2.81Å; R195-E224 PolarHBondContact NH2-OE2 3.43Å; T222-E224 WeakPolarHBondContact CB-OE2 3.27Å; T222-E224 PolarHBondContact O-N 3.24Å; E224-G228 PolarHBondContact O-N 2.77Å; E224-G228 VanDerWaalsContact O-N 3.13Å; E224-H229 HydrophobicContact CB-CB 4.12Å; E224-H229 VanDerWaalsContact O-CB 3.31Å; E224-H229 WeakPolarHBondContact O-CB 3.36Å; E224-H229 PolarHBondContact O-N 2.82Å; E224-Y230 HydrophobicContact CB-CD1 4.31Å; E224-Y230 HydrophobicContact CB-CE1 3.82Å
225	Y	96.6	Very high	94.5	Very high	50 Å²	50	45.4 Å²	45.4	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-50.2	171.3	179.6	-97	0	0	0	110.8	G220 T222 A227 G228 Y230 I232 R295	G220-Y225 WeakPolarHBondContact O-CD1 3.41Å; G220-Y225 VanDerWaalsContact O-CE1 3.23Å; G220-Y225 WeakPolarHBondContact O-CE1 3.28Å; T222-Y225 WeakPolarHBondContact O-CB 3.35Å; T222-Y225 PolarHBondContact O-N 2.98Å; T222-Y225 WeakPolarHBondContact OG1-CB 3.37Å; T222-Y225 PolarHBondContact OG1-N 2.65Å; Y225-A227 VanDerWaalsContact C-N 3.27Å; Y225-A227 PolarHBondContact O-N 3.31Å; Y225-G228 WeakPolarHBondContact O-CA 3.42Å; Y225-G228 PolarHBondContact O-N 3.29Å; Y225-Y230 HydrophobicContact CD2-CD2 4.02Å; Y225-Y230 AromaticContact CD2-CE2 3.69Å; Y225-Y230 HydrophobicContact CD2-CE2 3.69Å; Y225-Y230 HydrophobicContact CG-CE2 4.3Å; Y225-I232 HydrophobicContact CD2-CG1 4.42Å; Y225-I232 HydrophobicContact CE2-CD1 4.16Å; Y225-I232 HydrophobicContact CE2-CG1 4.07Å; Y225-R295 PolarHBondContact O-NH1 2.7Å
226	L	95.2	Very high	94.6	Very high	112 Å²	112	43.5 Å²	43.5	59%	0.586	26%	0.258	S	S	*	.	H	α-helix	trans	-61.2	-37.8	179.6	-64.9	175	0	0	0	111.9	T222 N223 G228	T222-L226 WeakPolarHBondContact O-CG 3.49Å; T222-L226 PolarHBondContact O-N 3.47Å; N223-L226 PolarHBondContact O-N 3.04Å; L226-G228 PolarHBondContact O-N 3.02Å
227	A	96.1	Very high	94.8	Very high	44 Å²	44	39.9 Å²	39.9	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-5	173.2	0	0	0	0	0	113.5	K182 N223 Y225	K182-A227 WeakPolarHBondContact CD-O 3.3Å; K182-A227 PolarHBondContact NZ-O 3.47Å; N223-A227 WeakPolarHBondContact O-CB 3.31Å; N223-A227 PolarHBondContact O-N 2.66Å; Y225-A227 VanDerWaalsContact C-N 3.27Å; Y225-A227 PolarHBondContact O-N 3.31Å
228	G	97.1	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	23.9	175.9	0	0	0	0	0	114.7	N179 E224 Y225 L226 Y230 L296	N179-G228 VanDerWaalsContact CB-O 3.32Å; N179-G228 WeakPolarHBondContact CB-O 3.48Å; N179-G228 PolarHBondContact ND2-O 3.15Å; E224-G228 PolarHBondContact O-N 2.77Å; E224-G228 VanDerWaalsContact O-N 3.13Å; Y225-G228 WeakPolarHBondContact O-CA 3.42Å; Y225-G228 PolarHBondContact O-N 3.29Å; L226-G228 PolarHBondContact O-N 3.02Å; G228-Y230 PolarHBondContact O-N 3.47Å; G228-L296 WeakPolarHBondContact O-CD2 3.33Å
229	H	97.9	Very high	95.3	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.259	19%	0.186	S	C	.	.	S	Bend	trans	-69.6	-22.2	176.9	-66.7	-173.9	0	0	0	112.4	N179 T183 L188 E224	N179-H229 VanDerWaalsContact CB-O 3.31Å; N179-H229 WeakPolarHBondContact CB-O 3.32Å; N179-H229 PolarHBondContact N-O 3.42Å; T183-H229 HydrophobicContact CG2-CB 3.94Å; L188-H229 HydrophobicContact CD1-CB 4.12Å; E224-H229 HydrophobicContact CB-CB 4.12Å; E224-H229 VanDerWaalsContact O-CB 3.31Å; E224-H229 WeakPolarHBondContact O-CB 3.36Å; E224-H229 PolarHBondContact O-N 2.82Å
230	Y	97.8	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	168.6	174	63.5	-89.4	0	0	0	113.1	I176 R177 L188 L192 I219 T222 E224 Y225 G228 R295	I176-Y230 HydrophobicContact CB-CD2 3.76Å; I176-Y230 HydrophobicContact CB-CE2 4.35Å; I176-Y230 HydrophobicContact CB-CG 4.38Å; I176-Y230 HydrophobicContact CD1-CD2 4.02Å; I176-Y230 HydrophobicContact CD1-CE2 4.27Å; I176-Y230 HydrophobicContact CD1-CG 4.13Å; I176-Y230 HydrophobicContact CG1-CD2 4.45Å; I176-Y230 HydrophobicContact CG2-CD2 3.75Å; I176-Y230 HydrophobicContact CG2-CE2 3.87Å; R177-Y230 CarbonylContact O-C 3.52Å; R177-Y230 WeakPolarHBondContact O-CA 3.32Å; R177-Y230 WeakPolarHBondContact O-CB 3.42Å; L188-Y230 HydrophobicContact CD1-CD1 3.68Å; L188-Y230 HydrophobicContact CD1-CE1 4.2Å; L188-Y230 HydrophobicContact CD2-CD1 4.17Å; L188-Y230 HydrophobicContact CD2-CG 4.36Å; L192-Y230 HydrophobicContact CD1-CE1 4.28Å; L192-Y230 HydrophobicContact CD2-CE1 4.17Å; I219-Y230 HydrophobicContact CG1-CE2 4.01Å; I219-Y230 WeakPolarHBondContact CG1-OH 3.37Å; I219-Y230 WeakPolarHBondContact O-CE2 3.37Å; I219-Y230 PolarHBondContact O-OH 3.2Å; T222-Y230 PolarHBondContact OG1-OH 2.91Å; E224-Y230 HydrophobicContact CB-CD1 4.31Å; E224-Y230 HydrophobicContact CB-CE1 3.82Å; Y225-Y230 HydrophobicContact CD2-CD2 4.02Å; Y225-Y230 AromaticContact CD2-CE2 3.69Å; Y225-Y230 HydrophobicContact CD2-CE2 3.69Å; Y225-Y230 HydrophobicContact CG-CE2 4.3Å; G228-Y230 PolarHBondContact O-N 3.47Å; Y230-R295 PolarHBondContact O-NH1 2.86Å
231	M	96.4	Very high	95.8	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.3	174.1	-177.6	164.7	-176.6	0	0	110	I176 R177 Q233 G261 L296	I176-M231 CarbonylContact C-O 3.19Å; I176-M231 WeakPolarHBondContact CA-O 3.17Å; R177-M231 PolarHBondContact N-O 3.39Å; R177-M231 PolarHBondContact O-N 2.88Å; M231-Q233 PolarHBondContact O-N 2.71Å; M231-G261 VanDerWaalsContact CE-CA 3.43Å; M231-G261 VanDerWaalsContact SD-CA 3.57Å; M231-L296 HydrophobicContact CB-CD1 4.38Å; M231-L296 HydrophobicContact SD-CD1 3.86Å
232	I	95.7	Very high	96	Very high	71 Å²	71	29.6 Å²	29.6	36%	0.364	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.1	170.7	-55.9	170.6	0	0	0	107.3	V174 I176 I219 Y225	V174-I232 HydrophobicContact CG1-CG2 4.42Å; I176-I232 HydrophobicContact CG2-CG1 4.21Å; I219-I232 HydrophobicContact CG2-CD1 3.58Å; I219-I232 HydrophobicContact CG2-CG1 3.85Å; Y225-I232 HydrophobicContact CD2-CG1 4.42Å; Y225-I232 HydrophobicContact CE2-CD1 4.16Å; Y225-I232 HydrophobicContact CE2-CG1 4.07Å
233	Q	93.6	Very high	96.2	Very high	18 Å²	18	29.4 Å²	29.4	8%	0.084	16%	0.156	C	C	.	.			trans	-160	135.5	-174.4	-177.7	173.7	33.9	0	0	110.1	V175 M231 F238	V175-Q233 CarbonylContact C-O 3.54Å; V175-Q233 WeakPolarHBondContact CB-O 3.46Å; V175-Q233 WeakPolarHBondContact CG1-O 3.38Å; V175-Q233 PolarHBondContact O-N 3.01Å; M231-Q233 PolarHBondContact O-N 2.71Å; Q233-F238 HydrophobicContact CB-CE1 4.02Å; Q233-F238 HydrophobicContact CG-CD1 4.36Å; Q233-F238 HydrophobicContact CG-CE1 3.82Å
234	E	93	Very high	96.3	Very high	50 Å²	50	24.5 Å²	24.5	23%	0.234	13%	0.129	C	C	.	.			trans	-59.7	141.3	175	-67.1	172.1	-159.6	0	0	112.1	S236 S237 R333	E234-S236 VanDerWaalsContact C-N 3.27Å; E234-S236 PolarHBondContact O-N 3.29Å; E234-S236 PolarHBondContact OE2-OG 2.83Å; E234-S237 WeakPolarHBondContact O-CB 3.41Å; E234-S237 PolarHBondContact O-N 3.03Å; E234-R333 WeakPolarHBondContact OE1-CD 3.46Å; E234-R333 IonicContact OE1-CZ 3.63Å; E234-R333 IonicContact OE1-NE 2.96Å; E234-R333 IonicContact OE1-NH1 3.52Å; E234-R333 PolarHBondContact OE1-NH1 3.24Å
235	A	94	Very high	96.3	Very high	8 Å²	8	26.6 Å²	26.6	7%	0.066	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-56.5	-39.2	179	0	0	0	0	0	113	V175 V202 W205 S237 F238 M438	V175-A235 HydrophobicContact CG1-CB 4.28Å; V175-A235 HydrophobicContact CG2-CB 4.26Å; V202-A235 HydrophobicContact CG1-CB 3.85Å; W205-A235 HydrophobicContact CH2-CB 4.06Å; W205-A235 HydrophobicContact CZ2-CB 4.17Å; A235-S237 PolarHBondContact O-N 3.09Å; A235-F238 WeakPolarHBondContact O-CB 3.46Å; A235-F238 WeakPolarHBondContact O-CG 3.48Å; A235-F238 PolarHBondContact O-N 2.79Å; A235-M438 HydrophobicContact CB-CG 4.2Å; A235-M438 HydrophobicContact CB-SD 3.64Å
236	S	94	Very high	96.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.4	176.9	57.8	0	0	0	0	112.7	E234 F238 L239 P240	E234-S236 VanDerWaalsContact C-N 3.27Å; E234-S236 PolarHBondContact O-N 3.29Å; E234-S236 PolarHBondContact OE2-OG 2.83Å; S236-F238 PolarHBondContact O-N 3.47Å; S236-L239 WeakPolarHBondContact O-CB 3.25Å; S236-L239 WeakPolarHBondContact O-CG 3.43Å; S236-L239 PolarHBondContact O-N 3.22Å; S236-P240 WeakPolarHBondContact O-CD 3.43Å
237	S	95	Very high	96.5	Very high	15 Å²	15	23.2 Å²	23.2	11%	0.105	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-72.7	-9.9	-179.8	-73.2	0	0	0	0	113.9	E234 A235 K262	E234-S237 WeakPolarHBondContact O-CB 3.41Å; E234-S237 PolarHBondContact O-N 3.03Å; A235-S237 PolarHBondContact O-N 3.09Å; S237-K262 PolarHBondContact OG-NZ 3.24Å
238	F	96.7	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-76.6	-31.8	172.5	-56.2	-14.7	0	0	0	111.4	V175 R177 W205 Q233 A235 S236 V241 L242 Y265	V175-F238 HydrophobicContact CG1-CE2 4.06Å; V175-F238 HydrophobicContact CG1-CZ 3.9Å; R177-F238 HydrophobicContact CB-CE1 3.63Å; R177-F238 HydrophobicContact CB-CZ 3.63Å; R177-F238 HydrophobicContact CG-CD1 4.4Å; R177-F238 HydrophobicContact CG-CE1 3.76Å; R177-F238 HydrophobicContact CG-CZ 3.9Å; W205-F238 HydrophobicContact CH2-CB 4.49Å; W205-F238 HydrophobicContact CH2-CD2 4.05Å; W205-F238 HydrophobicContact CZ3-CB 4.13Å; W205-F238 HydrophobicContact CZ3-CD2 4.18Å; Q233-F238 HydrophobicContact CB-CE1 4.02Å; Q233-F238 HydrophobicContact CG-CD1 4.36Å; Q233-F238 HydrophobicContact CG-CE1 3.82Å; A235-F238 WeakPolarHBondContact O-CB 3.46Å; A235-F238 WeakPolarHBondContact O-CG 3.48Å; A235-F238 PolarHBondContact O-N 2.79Å; S236-F238 PolarHBondContact O-N 3.47Å; F238-V241 PolarHBondContact O-N 2.99Å; F238-V241 VanDerWaalsContact O-N 3.1Å; F238-L242 HydrophobicContact CB-CD1 4.39Å; F238-L242 WeakPolarHBondContact O-CG 3.45Å; F238-L242 PolarHBondContact O-N 3.14Å; F238-Y265 HydrophobicContact CB-CE1 4.07Å; F238-Y265 HydrophobicContact CG-CE1 4.44Å
239	L	97.3	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-43.1	-170.1	-54.3	168.2	0	0	0	113.1	W205 S236 V241 L242 A243 L406 F408 F431 M438 V443	W205-L239 HydrophobicContact CE3-CD2 4.13Å; W205-L239 HydrophobicContact CH2-CD2 4.17Å; W205-L239 HydrophobicContact CZ3-CD2 3.74Å; S236-L239 WeakPolarHBondContact O-CB 3.25Å; S236-L239 WeakPolarHBondContact O-CG 3.43Å; S236-L239 PolarHBondContact O-N 3.22Å; L239-V241 VanDerWaalsContact C-N 3.31Å; L239-V241 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 3.15Å; L239-A243 WeakPolarHBondContact O-CB 3.34Å; L239-A243 PolarHBondContact O-N 2.93Å; L239-L406 HydrophobicContact CB-CD1 4.11Å; L239-L406 HydrophobicContact CB-CD2 4.42Å; L239-L406 HydrophobicContact CD2-CD2 4.12Å; L239-F408 HydrophobicContact CD2-CE1 3.93Å; L239-F408 HydrophobicContact CD2-CZ 3.72Å; L239-F431 HydrophobicContact CD1-CD1 3.93Å; L239-F431 HydrophobicContact CD1-CD2 3.7Å; L239-F431 HydrophobicContact CD1-CE1 3.83Å; L239-F431 HydrophobicContact CD1-CE2 3.62Å; L239-F431 HydrophobicContact CD1-CG 3.87Å; L239-F431 HydrophobicContact CD1-CZ 3.69Å; L239-F431 HydrophobicContact CD2-CE1 4.49Å; L239-F431 HydrophobicContact CD2-CZ 4.35Å; L239-M438 HydrophobicContact CD1-CE 4.13Å; L239-V443 HydrophobicContact CB-CG2 4.05Å
240	P	98.1	Very high	96.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-36.1	177	-27.1	39	0	0	0	113.5	S236 A243 L244 L320 V375 S377 F441 V443	S236-P240 WeakPolarHBondContact O-CD 3.43Å; P240-A243 PolarHBondContact O-N 3.02Å; P240-L244 VanDerWaalsContact O-CB 3.29Å; P240-L244 WeakPolarHBondContact O-CB 3.4Å; P240-L244 PolarHBondContact O-N 2.87Å; P240-L320 HydrophobicContact CB-CD1 3.63Å; P240-V375 HydrophobicContact CB-CG1 3.99Å; P240-S377 VanDerWaalsContact CG-OG 3.31Å; P240-S377 WeakPolarHBondContact CG-OG 3.37Å; P240-F441 HydrophobicContact CG-CD1 4.48Å; P240-F441 HydrophobicContact CG-CE1 3.38Å; P240-F441 HydrophobicContact CG-CZ 3.85Å; P240-V443 HydrophobicContact CG-CG2 4.28Å
241	V	98	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74	-40.6	-178.7	-178.5	0	0	0	0	110.3	F238 L239 A243 L244 D245 P246 K262 Y265 I266 L269 L320	F238-V241 PolarHBondContact O-N 2.99Å; F238-V241 VanDerWaalsContact O-N 3.1Å; L239-V241 VanDerWaalsContact C-N 3.31Å; L239-V241 PolarHBondContact O-N 2.87Å; V241-A243 VanDerWaalsContact C-N 3.34Å; V241-L244 WeakPolarHBondContact O-CB 3.5Å; V241-L244 PolarHBondContact O-N 2.98Å; V241-D245 PolarHBondContact O-N 3.36Å; V241-D245 VanDerWaalsContact O-N 3.09Å; V241-P246 WeakPolarHBondContact O-CD 3.34Å; V241-K262 HydrophobicContact CG2-CB 3.87Å; V241-K262 HydrophobicContact CG2-CG 4.18Å; V241-Y265 HydrophobicContact CB-CD1 3.47Å; V241-Y265 VanDerWaalsContact CB-CD1 3.47Å; V241-Y265 HydrophobicContact CB-CE1 3.89Å; V241-Y265 HydrophobicContact CB-CG 4.21Å; V241-Y265 HydrophobicContact CG1-CD1 3.45Å; V241-Y265 VanDerWaalsContact CG1-CD1 3.45Å; V241-Y265 HydrophobicContact CG1-CD2 4.46Å; V241-Y265 HydrophobicContact CG1-CE1 3.92Å; V241-Y265 HydrophobicContact CG1-CG 3.74Å; V241-Y265 HydrophobicContact CG2-CD1 3.86Å; V241-Y265 HydrophobicContact CG2-CG 4.45Å; V241-I266 HydrophobicContact CG1-CG1 3.79Å; V241-I266 HydrophobicContact CG2-CG1 4.19Å; V241-L269 HydrophobicContact CG1-CD1 3.71Å; V241-L320 HydrophobicContact CG2-CD2 4.33Å
242	L	97.4	Very high	96.6	Very high	54 Å²	54	34.8 Å²	34.8	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-60.4	-44.3	171.5	-68.8	175.9	0	0	0	111.2	W205 F238 L239 L244 D245 Y265 L406	W205-L242 HydrophobicContact CE3-CD1 3.95Å; W205-L242 HydrophobicContact CZ3-CD1 3.97Å; F238-L242 HydrophobicContact CB-CD1 4.39Å; F238-L242 WeakPolarHBondContact O-CG 3.45Å; F238-L242 PolarHBondContact O-N 3.14Å; L239-L242 PolarHBondContact O-N 3.15Å; L242-L244 VanDerWaalsContact C-N 3.31Å; L242-L244 PolarHBondContact O-N 2.81Å; L242-D245 PolarHBondContact O-N 3Å; L242-Y265 HydrophobicContact CD2-CE1 4.46Å; L242-Y265 VanDerWaalsContact CD2-OH 3.32Å; L242-Y265 WeakPolarHBondContact CD2-OH 3.45Å; L242-Y265 HydrophobicContact CG-CE1 4.42Å; L242-L406 HydrophobicContact CB-CD2 3.99Å
243	A	98	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-33.2	176.4	0	0	0	0	0	112.5	L239 P240 V241 D245 V375 T404 L406 V443 K445	L239-A243 WeakPolarHBondContact O-CB 3.34Å; L239-A243 PolarHBondContact O-N 2.93Å; P240-A243 PolarHBondContact O-N 3.02Å; V241-A243 VanDerWaalsContact C-N 3.34Å; A243-D245 VanDerWaalsContact C-N 3.29Å; A243-D245 PolarHBondContact O-N 2.91Å; A243-V375 HydrophobicContact CB-CG1 4.41Å; A243-V375 HydrophobicContact CB-CG2 4.09Å; A243-T404 WeakPolarHBondContact CA-O 3.42Å; A243-L406 HydrophobicContact CB-CD1 4.47Å; A243-L406 HydrophobicContact CB-CG 4.41Å; A243-V443 HydrophobicContact CB-CG1 3.77Å; A243-K445 VanDerWaalsContact O-CD 3.26Å; A243-K445 WeakPolarHBondContact O-CD 3.31Å; A243-K445 WeakPolarHBondContact O-CE 3.45Å; A243-K445 PolarHBondContact O-NZ 3.5Å
244	L	98.1	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-37.7	178	-171.2	70.1	0	0	0	110.8	P240 V241 L242 I252 I266 R318 V319 L320 V375	P240-L244 VanDerWaalsContact O-CB 3.29Å; P240-L244 WeakPolarHBondContact O-CB 3.4Å; P240-L244 PolarHBondContact O-N 2.87Å; V241-L244 WeakPolarHBondContact O-CB 3.5Å; V241-L244 PolarHBondContact O-N 2.98Å; L242-L244 VanDerWaalsContact C-N 3.31Å; L242-L244 PolarHBondContact O-N 2.81Å; L244-I252 HydrophobicContact CD2-CG2 4.05Å; L244-I266 HydrophobicContact CD2-CD1 3.92Å; L244-I266 HydrophobicContact CD2-CG1 4.09Å; L244-R318 HydrophobicContact CD1-CB 3.87Å; L244-R318 HydrophobicContact CG-CB 4.2Å; L244-R318 WeakPolarHBondContact O-CD 3.34Å; L244-R318 PolarHBondContact O-NH1 2.92Å; L244-V319 VanDerWaalsContact CD1-O 3.27Å; L244-V319 WeakPolarHBondContact CD1-O 3.46Å; L244-L320 HydrophobicContact CD2-CB 4.08Å; L244-V375 HydrophobicContact CB-CB 4.46Å; L244-V375 HydrophobicContact CB-CG2 3.98Å; L244-V375 HydrophobicContact CD1-CB 4.09Å; L244-V375 HydrophobicContact CD1-CG2 3.88Å
245	D	97.2	Very high	97.1	Very high	68 Å²	68	28.2 Å²	28.2	36%	0.364	14%	0.136	S	C	.	.			trans	51.2	60.6	-179.4	-176.6	32.6	0	0	0	111.9	V241 L242 A243 K247 R318	V241-D245 PolarHBondContact O-N 3.36Å; V241-D245 VanDerWaalsContact O-N 3.09Å; L242-D245 PolarHBondContact O-N 3Å; A243-D245 VanDerWaalsContact C-N 3.29Å; A243-D245 PolarHBondContact O-N 2.91Å; D245-K247 IonicContact OD1-NZ 2.7Å; D245-K247 PolarHBondContact OD1-NZ 2.79Å; D245-K247 WeakPolarHBondContact OD2-CE 3.3Å; D245-K247 IonicContact OD2-NZ 3.45Å; D245-K247 PolarHBondContact OD2-NZ 2.82Å; D245-R318 PolarHBondContact O-NE 3.34Å; D245-R318 PolarHBondContact O-NH1 3.1Å; D245-R318 VanDerWaalsContact O-NH1 3.12Å
246	P	97.6	Very high	97.2	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.039	14%	0.142	C	C	.	.			trans	-62.7	138.9	-178.8	29.8	-37.3	0	0	0	111.3	V241 I252 I266 L269 M270	V241-P246 WeakPolarHBondContact O-CD 3.34Å; P246-I252 HydrophobicContact CB-CD1 3.23Å; P246-I266 HydrophobicContact CB-CG2 4.04Å; P246-I266 HydrophobicContact CG-CG2 4.32Å; P246-L269 HydrophobicContact CG-CB 3.64Å; P246-L269 HydrophobicContact CG-CD1 3.6Å; P246-L269 HydrophobicContact CG-CG 4.28Å; P246-M270 HydrophobicContact CB-CG 4.07Å
247	K	97.7	Very high	97.3	Very high	84 Å²	84	29.2 Å²	29.2	37%	0.365	14%	0.143	S	C	.	.			trans	-108.8	159.3	176.9	-51.8	-59.7	-178.4	-169.6	0	111.5	D245 E250	D245-K247 IonicContact OD1-NZ 2.7Å; D245-K247 PolarHBondContact OD1-NZ 2.79Å; D245-K247 WeakPolarHBondContact OD2-CE 3.3Å; D245-K247 IonicContact OD2-NZ 3.45Å; D245-K247 PolarHBondContact OD2-NZ 2.82Å; K247-E250 HydrophobicContact CB-CG 4.02Å; K247-E250 PolarHBondContact N-OE2 3.02Å
248	E	97.5	Very high	97.3	Very high	96 Å²	96	29.1 Å²	29.1	45%	0.449	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	148.8	173.4	-64	-178.7	-144.2	0	0	111	E250 K271 S273	E248-E250 PolarHBondContact O-N 3.33Å; E248-K271 WeakPolarHBondContact OE1-CD 3.13Å; E248-K271 WeakPolarHBondContact OE1-CE 3.29Å; E248-K271 IonicContact OE1-NZ 3.45Å; E248-K271 PolarHBondContact OE1-NZ 2.88Å; E248-S273 WeakPolarHBondContact CA-OG 3.47Å; E248-S273 VanDerWaalsContact CB-OG 3.28Å; E248-S273 WeakPolarHBondContact CB-OG 3.48Å
249	E	96.7	Very high	97.2	Very high	145 Å²	145	32.2 Å²	32.2	68%	0.678	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	8.9	-179.7	-56.9	-60.4	163.1	0	0	117	S273 G274	E249-S273 PolarHBondContact N-OG 2.89Å; E249-S273 VanDerWaalsContact OE1-CB 3.3Å; E249-S273 WeakPolarHBondContact OE1-CB 3.48Å; E249-G274 PolarHBondContact OE2-N 3.44Å; E249-G274 VanDerWaalsContact OE2-N 3.1Å
250	E	97.6	Very high	97	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.019	16%	0.163	C	C	.	.			trans	-79.3	159.3	174.9	-72.7	-176.8	157.8	0	0	113.1	K247 E248 I252 M270 F275 D317 R318 T370	K247-E250 HydrophobicContact CB-CG 4.02Å; K247-E250 PolarHBondContact N-OE2 3.02Å; E248-E250 PolarHBondContact O-N 3.33Å; E250-I252 HydrophobicContact CB-CD1 4.35Å; E250-I252 HydrophobicContact CB-CG1 4.11Å; E250-M270 WeakPolarHBondContact O-CE 3.47Å; E250-F275 PolarHBondContact O-N 2.88Å; E250-D317 HydrophobicContact CB-CB 4.09Å; E250-D317 HydrophobicContact CG-CB 4.11Å; E250-R318 IonicContact OE1-CZ 2.7Å; E250-R318 IonicContact OE1-NE 2.97Å; E250-R318 PolarHBondContact OE1-NE 3.48Å; E250-R318 IonicContact OE1-NH2 3.6Å; E250-R318 PolarHBondContact OE1-NH2 3.42Å; E250-R318 WeakPolarHBondContact OE2-CD 3.38Å; E250-R318 IonicContact OE2-CZ 2.73Å; E250-R318 IonicContact OE2-NE 3.74Å; E250-R318 PolarHBondContact OE2-NE 3.27Å; E250-R318 IonicContact OE2-NH2 3.68Å; E250-T370 WeakPolarHBondContact OE1-CB 3.33Å; E250-T370 PolarHBondContact OE1-OG1 2.76Å
251	K	97.8	Very high	96.9	Very high	110 Å²	110	32.5 Å²	32.5	48%	0.478	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.1	166.4	-61.8	173.8	-170	170.4	0	109.2	F275 F316 D317 R318	K251-F275 CarbonylContact C-O 3.59Å; K251-F275 VanDerWaalsContact CA-O 3.3Å; K251-F275 WeakPolarHBondContact CA-O 3.27Å; K251-F275 HydrophobicContact CG-CB 4.3Å; K251-F316 HydrophobicContact CB-CD1 4.09Å; K251-F316 CarbonylContact O-C 3.51Å; K251-F316 WeakPolarHBondContact O-CB 3.31Å; K251-D317 PolarHBondContact N-OD2 3.4Å; K251-D317 PolarHBondContact O-N 2.78Å; K251-R318 PolarHBondContact O-N 2.9Å
252	I	98.3	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.4	-176.6	-52.7	-169.5	0	0	0	111.2	L244 P246 E250 I266 M270 F275 L276 V277 F316 R318	L244-I252 HydrophobicContact CD2-CG2 4.05Å; P246-I252 HydrophobicContact CB-CD1 3.23Å; E250-I252 HydrophobicContact CB-CD1 4.35Å; E250-I252 HydrophobicContact CB-CG1 4.11Å; I252-I266 HydrophobicContact CB-CG2 4.29Å; I252-I266 HydrophobicContact CD1-CG2 3.89Å; I252-I266 HydrophobicContact CG2-CD1 4.41Å; I252-I266 HydrophobicContact CG2-CG2 3.98Å; I252-M270 HydrophobicContact CB-SD 4.47Å; I252-M270 HydrophobicContact CD1-CE 4.19Å; I252-M270 HydrophobicContact CD1-CG 4.23Å; I252-M270 HydrophobicContact CD1-SD 3.67Å; I252-M270 HydrophobicContact CG1-CE 4.19Å; I252-M270 HydrophobicContact CG1-SD 4.1Å; I252-F275 PolarHBondContact N-O 2.92Å; I252-L276 HydrophobicContact CB-CD1 4.1Å; I252-L276 HydrophobicContact CG2-CD1 4.15Å; I252-L276 CarbonylContact O-C 3.57Å; I252-L276 WeakPolarHBondContact O-CA 3.33Å; I252-V277 PolarHBondContact O-N 2.88Å; I252-F316 VanDerWaalsContact C-CD1 3.45Å; I252-R318 WeakPolarHBondContact CA-O 3.46Å; I252-R318 HydrophobicContact CD1-CB 4.32Å; I252-R318 HydrophobicContact CG1-CB 4.19Å; I252-R318 HydrophobicContact CG2-CB 4.34Å
253	L	98.1	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.2	172.7	175.7	64.8	0	0	0	109.9	M255 V277 N279 F311 F316 R318 V319 L320 Q363	L253-M255 HydrophobicContact CD2-CB 4.43Å; L253-M255 HydrophobicContact CD2-CG 4.37Å; L253-M255 HydrophobicContact CG-CB 4.37Å; L253-V277 HydrophobicContact CD1-CB 3.81Å; L253-V277 HydrophobicContact CD1-CG1 3.71Å; L253-N279 HydrophobicContact CD1-CB 4.24Å; L253-F311 HydrophobicContact CD1-CD2 4.47Å; L253-F311 HydrophobicContact CD1-CE1 4.33Å; L253-F311 HydrophobicContact CD1-CE2 3.89Å; L253-F311 HydrophobicContact CD1-CZ 3.81Å; L253-F311 HydrophobicContact CD2-CD1 4.12Å; L253-F311 HydrophobicContact CD2-CE1 4.16Å; L253-F311 HydrophobicContact CD2-CG 4.42Å; L253-F311 HydrophobicContact CD2-CZ 4.44Å; L253-F316 HydrophobicContact CB-CB 4.47Å; L253-F316 HydrophobicContact CB-CD1 3.78Å; L253-F316 HydrophobicContact CB-CD2 3.71Å; L253-F316 HydrophobicContact CB-CE1 3.79Å; L253-F316 HydrophobicContact CB-CE2 3.73Å; L253-F316 HydrophobicContact CB-CG 3.72Å; L253-F316 HydrophobicContact CB-CZ 3.75Å; L253-F316 HydrophobicContact CD1-CE2 4.3Å; L253-F316 HydrophobicContact CD1-CZ 4Å; L253-F316 HydrophobicContact CD2-CD2 4.08Å; L253-F316 HydrophobicContact CD2-CE2 3.75Å; L253-F316 HydrophobicContact CD2-CZ 4.3Å; L253-F316 HydrophobicContact CG-CD2 4.47Å; L253-F316 HydrophobicContact CG-CE2 4.13Å; L253-F316 HydrophobicContact CG-CZ 4.23Å; L253-R318 PolarHBondContact N-O 2.93Å; L253-R318 VanDerWaalsContact N-O 3.11Å; L253-V319 HydrophobicContact CB-CG1 4.24Å; L253-V319 HydrophobicContact CB-CG2 4.18Å; L253-V319 HydrophobicContact CD2-CG1 4.1Å; L253-V319 HydrophobicContact CG-CG1 4.32Å; L253-V319 CarbonylContact O-C 3.54Å; L253-V319 WeakPolarHBondContact O-CA 3.22Å; L253-L320 PolarHBondContact O-N 2.87Å; L253-Q363 HydrophobicContact CD2-CB 4.3Å; L253-Q363 HydrophobicContact CD2-CG 4.19Å
254	D	98	Very high	96.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	107.8	159.6	-173.9	-8.6	0	0	0	107.8	A257 A263 I266 V277 N279	D254-A257 HydrophobicContact CB-CB 3.95Å; D254-A257 VanDerWaalsContact CG-CB 3.48Å; D254-A257 WeakPolarHBondContact OD1-CA 3.41Å; D254-A257 WeakPolarHBondContact OD2-CA 3.48Å; D254-A257 WeakPolarHBondContact OD2-CB 3.39Å; D254-A263 HydrophobicContact CB-CB 4.35Å; D254-A263 PolarHBondContact OD2-N 3.24Å; D254-A263 VanDerWaalsContact OD2-N 3.13Å; D254-I266 HydrophobicContact CB-CD1 4.45Å; D254-V277 PolarHBondContact N-O 3.12Å; D254-N279 PolarHBondContact O-N 2.67Å
255	M	97	Very high	96.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-22.3	-166.8	-158.3	169.6	84.5	0	0	113.8	L253 N279 L320 L321 L356 A360	L253-M255 HydrophobicContact CD2-CB 4.43Å; L253-M255 HydrophobicContact CD2-CG 4.37Å; L253-M255 HydrophobicContact CG-CB 4.37Å; M255-N279 CarbonylContact C-O 3.59Å; M255-N279 PolarHBondContact O-ND2 2.93Å; M255-L320 PolarHBondContact N-O 3Å; M255-L321 HydrophobicContact CB-CD1 4.34Å; M255-L321 HydrophobicContact CE-CD1 3.56Å; M255-L321 HydrophobicContact CE-CD2 4.08Å; M255-L321 HydrophobicContact CE-CG 4.36Å; M255-L356 HydrophobicContact CE-CB 3.49Å; M255-L356 VanDerWaalsContact CE-CB 3.49Å; M255-L356 HydrophobicContact CE-CD2 3.44Å; M255-L356 VanDerWaalsContact CE-CD2 3.44Å; M255-L356 HydrophobicContact CE-CG 4.01Å; M255-L356 VanDerWaalsContact CE-O 3.28Å; M255-L356 WeakPolarHBondContact CE-O 3.39Å; M255-A360 HydrophobicContact CE-CB 4.18Å; M255-A360 HydrophobicContact SD-CB 3.97Å
256	C	96	Very high	96.9	Very high	26 Å²	26	27.9 Å²	27.9	18%	0.176	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	62.3	-178.5	-65.5	0	0	0	0	109.5	A258 N279 D322	C256-A258 PolarHBondContact O-N 2.75Å; C256-N279 CarbonylContact C-O 3.16Å; C256-N279 WeakPolarHBondContact CA-O 3.44Å; C256-N279 PolarHBondContact N-O 3.26Å; C256-D322 VanDerWaalsContact CB-O 3.23Å; C256-D322 WeakPolarHBondContact CB-O 3.38Å
257	A	95.9	Very high	97	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.033	14%	0.138	C	C	.	.			trans	-77.7	-17.9	-160.3	0	0	0	0	0	115.1	D254 G260 A263 A278 N279 I289	D254-A257 HydrophobicContact CB-CB 3.95Å; D254-A257 VanDerWaalsContact CG-CB 3.48Å; D254-A257 WeakPolarHBondContact OD1-CA 3.41Å; D254-A257 WeakPolarHBondContact OD2-CA 3.48Å; D254-A257 WeakPolarHBondContact OD2-CB 3.39Å; A257-G260 VanDerWaalsContact O-CA 3.25Å; A257-G260 WeakPolarHBondContact O-CA 3.41Å; A257-G260 PolarHBondContact O-N 2.74Å; A257-A263 HydrophobicContact CB-CB 4.28Å; A257-A278 HydrophobicContact CB-CB 3.8Å; A257-N279 PolarHBondContact N-O 3.37Å; A257-I289 HydrophobicContact CB-CD1 4.11Å
258	A	94.2	Very high	97	Very high	12 Å²	12	23.8 Å²	23.8	10%	0.099	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	136.5	-173.4	0	0	0	0	0	113	C256 D280 R285 I289	C256-A258 PolarHBondContact O-N 2.75Å; A258-D280 HydrophobicContact CB-CB 4.2Å; A258-D280 WeakPolarHBondContact CB-OD2 3.43Å; A258-D280 PolarHBondContact N-OD2 3.08Å; A258-R285 HydrophobicContact CB-CB 3.7Å; A258-R285 PolarHBondContact O-NH2 3.09Å; A258-R285 VanDerWaalsContact O-NH2 3.09Å; A258-I289 HydrophobicContact CB-CD1 3.88Å; A258-I289 HydrophobicContact CB-CG1 3.98Å
259	P	94.1	Very high	97	Very high	66 Å²	66	22.1 Å²	22.1	43%	0.429	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.4	12	10.6	36.1	-37.7	0	0	0	115.7	S288 N292	P259-S288 CarbonylContact O-C 3.57Å; P259-N292 PolarHBondContact O-ND2 3.08Å
260	G	94.1	Very high	97	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	104.7	7.1	-179.8	0	0	0	0	0	114.2	A257 S264	A257-G260 VanDerWaalsContact O-CA 3.25Å; A257-G260 WeakPolarHBondContact O-CA 3.41Å; A257-G260 PolarHBondContact O-N 2.74Å; G260-S264 VanDerWaalsContact O-CB 3.27Å; G260-S264 WeakPolarHBondContact O-CB 3.47Å; G260-S264 PolarHBondContact O-N 3.04Å; G260-S264 PolarHBondContact O-OG 3.41Å
261	G	95.6	Very high	97	Very high	5 Å²	5	21.7 Å²	21.7	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-56.1	179.8	0	0	0	0	0	112.5	R177 M231 S264 Y265	R177-G261 PolarHBondContact NH1-O 3.32Å; M231-G261 VanDerWaalsContact CE-CA 3.43Å; M231-G261 VanDerWaalsContact SD-CA 3.57Å; G261-S264 PolarHBondContact O-N 3.24Å; G261-S264 PolarHBondContact O-OG 2.81Å; G261-Y265 PolarHBondContact O-N 3.16Å; G261-Y265 VanDerWaalsContact O-N 3.14Å
262	K	97.6	Very high	97	Very high	19 Å²	19	18.2 Å²	18.2	8%	0.083	10%	0.099	C	C	.	.	H	α-helix	trans	-67.9	-45.4	-178.6	-62.9	-178.4	175.5	77.9	0	111.5	S237 V241 S264 Y265 I266 L320 D322	S237-K262 PolarHBondContact OG-NZ 3.24Å; V241-K262 HydrophobicContact CG2-CB 3.87Å; V241-K262 HydrophobicContact CG2-CG 4.18Å; K262-S264 PolarHBondContact O-N 3.26Å; K262-Y265 WeakPolarHBondContact O-CB 3.34Å; K262-Y265 PolarHBondContact O-N 2.93Å; K262-I266 WeakPolarHBondContact O-CG1 3.22Å; K262-I266 PolarHBondContact O-N 2.89Å; K262-L320 HydrophobicContact CB-CD2 3.79Å; K262-L320 HydrophobicContact CD-CD2 4.11Å; K262-D322 HydrophobicContact CD-CB 3.93Å; K262-D322 VanDerWaalsContact CE-OD2 3.22Å; K262-D322 WeakPolarHBondContact CE-OD2 3.43Å; K262-D322 IonicContact NZ-OD1 3.75Å; K262-D322 IonicContact NZ-OD2 2.71Å; K262-D322 PolarHBondContact NZ-OD2 3.03Å
263	A	97.8	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-51.7	-48.9	172.1	0	0	0	0	0	113.8	D254 A257 Y265 I266 A267 L276 A278	D254-A263 HydrophobicContact CB-CB 4.35Å; D254-A263 PolarHBondContact OD2-N 3.24Å; D254-A263 VanDerWaalsContact OD2-N 3.13Å; A257-A263 HydrophobicContact CB-CB 4.28Å; A263-Y265 VanDerWaalsContact C-N 3.29Å; A263-Y265 PolarHBondContact O-N 3.49Å; A263-I266 WeakPolarHBondContact O-CB 3.35Å; A263-I266 PolarHBondContact O-N 3.3Å; A263-A267 PolarHBondContact O-N 2.82Å; A263-L276 HydrophobicContact CB-CD2 4.23Å; A263-L276 WeakPolarHBondContact O-CD2 3.31Å; A263-A278 HydrophobicContact CB-CB 3.99Å
264	S	97.6	Very high	96.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-29.1	178.2	59.4	0	0	0	0	113.2	R177 G260 G261 K262 A268 L296	R177-S264 PolarHBondContact NH1-OG 3.43Å; R177-S264 PolarHBondContact NH2-OG 2.99Å; G260-S264 VanDerWaalsContact O-CB 3.27Å; G260-S264 WeakPolarHBondContact O-CB 3.47Å; G260-S264 PolarHBondContact O-N 3.04Å; G260-S264 PolarHBondContact O-OG 3.41Å; G261-S264 PolarHBondContact O-N 3.24Å; G261-S264 PolarHBondContact O-OG 2.81Å; K262-S264 PolarHBondContact O-N 3.26Å; S264-A268 WeakPolarHBondContact O-CB 3.36Å; S264-A268 PolarHBondContact O-N 3.27Å; S264-A268 VanDerWaalsContact O-N 3.1Å; S264-L296 VanDerWaalsContact CB-CD1 3.46Å; S264-L296 WeakPolarHBondContact OG-CD1 3.22Å
265	Y	98.1	Very high	96.9	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-69.7	-43	173.7	-166.4	-167	0	0	0	111.1	V208 F238 V241 L242 G261 K262 A263 A267 A268 L269	V208-Y265 HydrophobicContact CG2-CE2 3.93Å; F238-Y265 HydrophobicContact CB-CE1 4.07Å; F238-Y265 HydrophobicContact CG-CE1 4.44Å; V241-Y265 HydrophobicContact CB-CD1 3.47Å; V241-Y265 VanDerWaalsContact CB-CD1 3.47Å; V241-Y265 HydrophobicContact CB-CE1 3.89Å; V241-Y265 HydrophobicContact CB-CG 4.21Å; V241-Y265 HydrophobicContact CG1-CD1 3.45Å; V241-Y265 VanDerWaalsContact CG1-CD1 3.45Å; V241-Y265 HydrophobicContact CG1-CD2 4.46Å; V241-Y265 HydrophobicContact CG1-CE1 3.92Å; V241-Y265 HydrophobicContact CG1-CG 3.74Å; V241-Y265 HydrophobicContact CG2-CD1 3.86Å; V241-Y265 HydrophobicContact CG2-CG 4.45Å; L242-Y265 HydrophobicContact CD2-CE1 4.46Å; L242-Y265 VanDerWaalsContact CD2-OH 3.32Å; L242-Y265 WeakPolarHBondContact CD2-OH 3.45Å; L242-Y265 HydrophobicContact CG-CE1 4.42Å; G261-Y265 PolarHBondContact O-N 3.16Å; G261-Y265 VanDerWaalsContact O-N 3.14Å; K262-Y265 WeakPolarHBondContact O-CB 3.34Å; K262-Y265 PolarHBondContact O-N 2.93Å; A263-Y265 VanDerWaalsContact C-N 3.29Å; A263-Y265 PolarHBondContact O-N 3.49Å; Y265-A267 VanDerWaalsContact C-N 3.32Å; Y265-A267 PolarHBondContact O-N 2.9Å; Y265-A268 WeakPolarHBondContact O-CB 3.38Å; Y265-A268 PolarHBondContact O-N 3.26Å; Y265-A268 VanDerWaalsContact O-N 3.17Å; Y265-L269 HydrophobicContact CD2-CD1 4.33Å; Y265-L269 HydrophobicContact CD2-CG 4.11Å; Y265-L269 HydrophobicContact CE2-CD1 4.02Å; Y265-L269 HydrophobicContact CE2-CD2 4.04Å; Y265-L269 HydrophobicContact CE2-CG 3.86Å; Y265-L269 PolarHBondContact O-N 2.73Å
266	I	98.3	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.4	-50.4	173.9	-69.6	162	0	0	0	109.9	V241 L244 P246 I252 D254 K262 A263 A268 L269 M270 L276 L320	V241-I266 HydrophobicContact CG1-CG1 3.79Å; V241-I266 HydrophobicContact CG2-CG1 4.19Å; L244-I266 HydrophobicContact CD2-CD1 3.92Å; L244-I266 HydrophobicContact CD2-CG1 4.09Å; P246-I266 HydrophobicContact CB-CG2 4.04Å; P246-I266 HydrophobicContact CG-CG2 4.32Å; I252-I266 HydrophobicContact CB-CG2 4.29Å; I252-I266 HydrophobicContact CD1-CG2 3.89Å; I252-I266 HydrophobicContact CG2-CD1 4.41Å; I252-I266 HydrophobicContact CG2-CG2 3.98Å; D254-I266 HydrophobicContact CB-CD1 4.45Å; K262-I266 WeakPolarHBondContact O-CG1 3.22Å; K262-I266 PolarHBondContact O-N 2.89Å; A263-I266 WeakPolarHBondContact O-CB 3.35Å; A263-I266 PolarHBondContact O-N 3.3Å; I266-A268 VanDerWaalsContact C-N 3.27Å; I266-A268 PolarHBondContact O-N 3.29Å; I266-L269 PolarHBondContact O-N 3.19Å; I266-M270 HydrophobicContact CG2-CG 4.32Å; I266-M270 HydrophobicContact CG2-SD 3.66Å; I266-M270 VanDerWaalsContact O-CG 3.28Å; I266-M270 WeakPolarHBondContact O-CG 3.11Å; I266-M270 PolarHBondContact O-N 3.26Å; I266-L276 HydrophobicContact CB-CD2 4.43Å; I266-L276 HydrophobicContact CG2-CD1 3.95Å; I266-L276 HydrophobicContact CG2-CD2 4.32Å; I266-L320 HydrophobicContact CD1-CB 4.33Å; I266-L320 HydrophobicContact CD1-CD2 3.71Å
267	A	98.2	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-36.5	178.8	0	0	0	0	0	113.4	A263 Y265 M270 K271 N272 L276 V298 N300	A263-A267 PolarHBondContact O-N 2.82Å; Y265-A267 VanDerWaalsContact C-N 3.32Å; Y265-A267 PolarHBondContact O-N 2.9Å; A267-M270 CarbonylContact O-C 3.55Å; A267-M270 PolarHBondContact O-N 3.19Å; A267-K271 PolarHBondContact O-N 2.81Å; A267-K271 VanDerWaalsContact O-N 3.15Å; A267-N272 PolarHBondContact O-N 3.47Å; A267-L276 HydrophobicContact CB-CD2 3.97Å; A267-V298 HydrophobicContact CB-CB 4.2Å; A267-V298 HydrophobicContact CB-CG1 3.42Å; A267-V298 VanDerWaalsContact CB-CG1 3.42Å; A267-V298 HydrophobicContact CB-CG2 3.77Å; A267-N300 WeakPolarHBondContact CB-OD1 3.23Å
268	A	97.8	Very high	97.1	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-41.2	177.1	0	0	0	0	0	112.5	L181 S264 Y265 I266 M270 K271	L181-A268 HydrophobicContact CD1-CB 4.24Å; L181-A268 HydrophobicContact CG-CB 3.96Å; S264-A268 WeakPolarHBondContact O-CB 3.36Å; S264-A268 PolarHBondContact O-N 3.27Å; S264-A268 VanDerWaalsContact O-N 3.1Å; Y265-A268 WeakPolarHBondContact O-CB 3.38Å; Y265-A268 PolarHBondContact O-N 3.26Å; Y265-A268 VanDerWaalsContact O-N 3.17Å; I266-A268 VanDerWaalsContact C-N 3.27Å; I266-A268 PolarHBondContact O-N 3.29Å; A268-M270 VanDerWaalsContact C-N 3.34Å; A268-K271 PolarHBondContact O-N 3.48Å; A268-K271 VanDerWaalsContact O-N 3.08Å
269	L	97.7	Very high	97.3	Very high	60 Å²	60	21.8 Å²	21.8	31%	0.314	12%	0.118	S	C	.	.	H	α-helix	trans	-69	-32.5	174.6	-69.4	176.9	0	0	0	112.5	V241 P246 Y265 I266 K271	V241-L269 HydrophobicContact CG1-CD1 3.71Å; P246-L269 HydrophobicContact CG-CB 3.64Å; P246-L269 HydrophobicContact CG-CD1 3.6Å; P246-L269 HydrophobicContact CG-CG 4.28Å; Y265-L269 HydrophobicContact CD2-CD1 4.33Å; Y265-L269 HydrophobicContact CD2-CG 4.11Å; Y265-L269 HydrophobicContact CE2-CD1 4.02Å; Y265-L269 HydrophobicContact CE2-CD2 4.04Å; Y265-L269 HydrophobicContact CE2-CG 3.86Å; Y265-L269 PolarHBondContact O-N 2.73Å; I266-L269 PolarHBondContact O-N 3.19Å; L269-K271 PolarHBondContact O-N 2.84Å
270	M	98.1	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.7	170.6	-62.8	171.9	77.4	0	0	112.9	P246 E250 I252 I266 A267 A268 N272 S273	P246-M270 HydrophobicContact CB-CG 4.07Å; E250-M270 WeakPolarHBondContact O-CE 3.47Å; I252-M270 HydrophobicContact CB-SD 4.47Å; I252-M270 HydrophobicContact CD1-CE 4.19Å; I252-M270 HydrophobicContact CD1-CG 4.23Å; I252-M270 HydrophobicContact CD1-SD 3.67Å; I252-M270 HydrophobicContact CG1-CE 4.19Å; I252-M270 HydrophobicContact CG1-SD 4.1Å; I266-M270 HydrophobicContact CG2-CG 4.32Å; I266-M270 HydrophobicContact CG2-SD 3.66Å; I266-M270 VanDerWaalsContact O-CG 3.28Å; I266-M270 WeakPolarHBondContact O-CG 3.11Å; I266-M270 PolarHBondContact O-N 3.26Å; A267-M270 CarbonylContact O-C 3.55Å; A267-M270 PolarHBondContact O-N 3.19Å; A268-M270 VanDerWaalsContact C-N 3.34Å; M270-N272 PolarHBondContact O-N 3.41Å; M270-N272 VanDerWaalsContact O-N 3.13Å; M270-S273 WeakPolarHBondContact CE-O 3.32Å; M270-S273 VanDerWaalsContact O-CB 3.32Å; M270-S273 WeakPolarHBondContact O-CB 3.43Å; M270-S273 PolarHBondContact O-N 3.48Å; M270-S273 PolarHBondContact O-OG 3.02Å
271	K	97.5	Very high	97.5	Very high	141 Å²	141	23.9 Å²	23.9	61%	0.613	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	39.9	-176	-56.2	-175.4	-169.7	150.6	0	113.8	E248 A267 A268 L269 S273	E248-K271 WeakPolarHBondContact OE1-CD 3.13Å; E248-K271 WeakPolarHBondContact OE1-CE 3.29Å; E248-K271 IonicContact OE1-NZ 3.45Å; E248-K271 PolarHBondContact OE1-NZ 2.88Å; A267-K271 PolarHBondContact O-N 2.81Å; A267-K271 VanDerWaalsContact O-N 3.15Å; A268-K271 PolarHBondContact O-N 3.48Å; A268-K271 VanDerWaalsContact O-N 3.08Å; L269-K271 PolarHBondContact O-N 2.84Å; K271-S273 PolarHBondContact O-N 2.75Å
272	N	97.8	Very high	97.4	Very high	37 Å²	37	27 Å²	27	20%	0.198	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	21.8	-175.3	-82.7	-35.6	0	0	0	115.4	L181 A267 M270 N297 V298 K299 N300	L181-N272 HydrophobicContact CD2-CB 4.44Å; A267-N272 PolarHBondContact O-N 3.47Å; M270-N272 PolarHBondContact O-N 3.41Å; M270-N272 VanDerWaalsContact O-N 3.13Å; N272-N297 PolarHBondContact ND2-O 3.19Å; N272-V298 WeakPolarHBondContact OD1-CA 3.49Å; N272-K299 HydrophobicContact CB-CB 4.45Å; N272-K299 PolarHBondContact OD1-N 2.08Å; N272-N300 WeakPolarHBondContact O-CB 3.39Å; N272-N300 PolarHBondContact OD1-OD1 3.22Å
273	S	97.5	Very high	97.2	Very high	14 Å²	14	32.6 Å²	32.6	10%	0.098	17%	0.166	C	C	.	.			trans	-98	166.7	173.9	71.3	0	0	0	0	112.4	E248 E249 M270 K271 N300	E248-S273 WeakPolarHBondContact CA-OG 3.47Å; E248-S273 VanDerWaalsContact CB-OG 3.28Å; E248-S273 WeakPolarHBondContact CB-OG 3.48Å; E249-S273 PolarHBondContact N-OG 2.89Å; E249-S273 VanDerWaalsContact OE1-CB 3.3Å; E249-S273 WeakPolarHBondContact OE1-CB 3.48Å; M270-S273 WeakPolarHBondContact CE-O 3.32Å; M270-S273 VanDerWaalsContact O-CB 3.32Å; M270-S273 WeakPolarHBondContact O-CB 3.43Å; M270-S273 PolarHBondContact O-N 3.48Å; M270-S273 PolarHBondContact O-OG 3.02Å; K271-S273 PolarHBondContact O-N 2.75Å; S273-N300 PolarHBondContact O-ND2 3.13Å
274	G	97.1	Very high	97	Very high	26 Å²	26	35.8 Å²	35.8	27%	0.268	19%	0.193	S	C	.	.	S	Bend	trans	66.9	-148.8	179.4	0	0	0	0	0	114.1	E249	E249-G274 PolarHBondContact OE2-N 3.44Å; E249-G274 VanDerWaalsContact OE2-N 3.1Å
275	F	97.1	Very high	96.8	Very high	75 Å²	75	41.1 Å²	41.1	33%	0.329	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	117.4	-173.1	-172.8	-110.5	0	0	0	112.8	E250 K251 I252 V277 I302 I314	E250-F275 PolarHBondContact O-N 2.88Å; K251-F275 CarbonylContact C-O 3.59Å; K251-F275 VanDerWaalsContact CA-O 3.3Å; K251-F275 WeakPolarHBondContact CA-O 3.27Å; K251-F275 HydrophobicContact CG-CB 4.3Å; I252-F275 PolarHBondContact N-O 2.92Å; F275-V277 HydrophobicContact CD1-CG2 3.99Å; F275-V277 HydrophobicContact CE1-CG2 3.39Å; F275-V277 HydrophobicContact CZ-CG2 4.05Å; F275-I302 HydrophobicContact CE1-CD1 4.26Å; F275-I302 HydrophobicContact CE1-CG1 4.38Å; F275-I302 HydrophobicContact CE2-CD1 4.34Å; F275-I302 HydrophobicContact CE2-CG1 4.11Å; F275-I302 HydrophobicContact CE2-CG2 3.95Å; F275-I302 HydrophobicContact CZ-CD1 3.53Å; F275-I302 HydrophobicContact CZ-CG1 3.65Å; F275-I302 HydrophobicContact CZ-CG2 4.24Å; F275-I314 HydrophobicContact CD1-CD1 4.39Å; F275-I314 HydrophobicContact CE1-CD1 3.94Å
276	L	98.2	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	177.4	176.4	61.9	0	0	0	111	I252 A263 I266 A267 N300 A301 I302	I252-L276 HydrophobicContact CB-CD1 4.1Å; I252-L276 HydrophobicContact CG2-CD1 4.15Å; I252-L276 CarbonylContact O-C 3.57Å; I252-L276 WeakPolarHBondContact O-CA 3.33Å; A263-L276 HydrophobicContact CB-CD2 4.23Å; A263-L276 WeakPolarHBondContact O-CD2 3.31Å; I266-L276 HydrophobicContact CB-CD2 4.43Å; I266-L276 HydrophobicContact CG2-CD1 3.95Å; I266-L276 HydrophobicContact CG2-CD2 4.32Å; A267-L276 HydrophobicContact CB-CD2 3.97Å; L276-N300 PolarHBondContact N-O 2.92Å; L276-A301 HydrophobicContact CB-CB 4.03Å; L276-A301 HydrophobicContact CD2-CB 3.97Å; L276-A301 HydrophobicContact CG-CB 4.11Å; L276-A301 CarbonylContact O-C 3.58Å; L276-A301 VanDerWaalsContact O-CA 3.25Å; L276-A301 WeakPolarHBondContact O-CA 3.28Å; L276-I302 PolarHBondContact O-N 2.96Å
277	V	97.9	Very high	96.5	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.9	169.2	-179.3	0	0	0	0	108.8	I252 L253 D254 F275 I302 T304 F311 I314 F316	I252-V277 PolarHBondContact O-N 2.88Å; L253-V277 HydrophobicContact CD1-CB 3.81Å; L253-V277 HydrophobicContact CD1-CG1 3.71Å; D254-V277 PolarHBondContact N-O 3.12Å; F275-V277 HydrophobicContact CD1-CG2 3.99Å; F275-V277 HydrophobicContact CE1-CG2 3.39Å; F275-V277 HydrophobicContact CZ-CG2 4.05Å; V277-I302 HydrophobicContact CB-CG1 4.37Å; V277-I302 HydrophobicContact CG1-CD1 4.49Å; V277-I302 HydrophobicContact CG1-CG1 4.38Å; V277-I302 HydrophobicContact CG2-CD1 4Å; V277-I302 HydrophobicContact CG2-CG1 3.86Å; V277-T304 HydrophobicContact CG1-CG2 4.06Å; V277-F311 HydrophobicContact CG1-CE2 4.25Å; V277-F311 HydrophobicContact CG1-CZ 4.1Å; V277-I314 HydrophobicContact CG2-CD1 4.45Å; V277-F316 HydrophobicContact CB-CE1 4.01Å; V277-F316 HydrophobicContact CB-CZ 4.15Å; V277-F316 HydrophobicContact CG2-CE1 3.62Å; V277-F316 HydrophobicContact CG2-CZ 3.89Å
278	A	97.6	Very high	96.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	101.6	173.3	0	0	0	0	0	109.2	A257 A263 I289 I293 I302 V303 T304	A257-A278 HydrophobicContact CB-CB 3.8Å; A263-A278 HydrophobicContact CB-CB 3.99Å; A278-I289 HydrophobicContact CB-CG2 3.9Å; A278-I293 HydrophobicContact CB-CD1 4.24Å; A278-I302 PolarHBondContact N-O 3.13Å; A278-V303 WeakPolarHBondContact O-CA 3.42Å; A278-T304 PolarHBondContact O-N 2.85Å
279	N	97.3	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.8	-176.1	-177.9	77.1	0	0	0	111.6	L253 D254 M255 C256 A257 T304 I306 F311	L253-N279 HydrophobicContact CD1-CB 4.24Å; D254-N279 PolarHBondContact O-N 2.67Å; M255-N279 CarbonylContact C-O 3.59Å; M255-N279 PolarHBondContact O-ND2 2.93Å; C256-N279 CarbonylContact C-O 3.16Å; C256-N279 WeakPolarHBondContact CA-O 3.44Å; C256-N279 PolarHBondContact N-O 3.26Å; A257-N279 PolarHBondContact N-O 3.37Å; N279-T304 WeakPolarHBondContact CA-O 3.33Å; N279-T304 WeakPolarHBondContact CB-OG1 3.29Å; N279-T304 PolarHBondContact OD1-O 3.18Å; N279-T304 PolarHBondContact OD1-OG1 2.85Å; N279-I306 PolarHBondContact ND2-O 2.66Å; N279-I306 WeakPolarHBondContact OD1-CB 3.33Å; N279-I306 PolarHBondContact OD1-N 3.49Å; N279-I306 PolarHBondContact OD1-O 3.14Å; N279-F311 HydrophobicContact CB-CE2 4.29Å
280	D	96.3	Very high	96.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.032	25%	0.253	C	S	.	.			trans	-142.5	148.9	164.8	-162.2	-76.6	0	0	0	109.4	A258 N282 R285 I289 T304 S305	A258-D280 HydrophobicContact CB-CB 4.2Å; A258-D280 WeakPolarHBondContact CB-OD2 3.43Å; A258-D280 PolarHBondContact N-OD2 3.08Å; D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 WeakPolarHBondContact OD1-CB 3.35Å; D280-N282 PolarHBondContact OD1-N 2.87Å; D280-R285 IonicContact OD1-NH1 2.71Å; D280-R285 IonicContact OD2-NH1 3.21Å; D280-R285 PolarHBondContact OD2-NH1 3.28Å; D280-I289 HydrophobicContact CB-CD1 3.86Å; D280-T304 PolarHBondContact N-O 2.64Å; D280-T304 VanDerWaalsContact N-O 3.14Å; D280-S305 VanDerWaalsContact O-CA 3.29Å; D280-S305 WeakPolarHBondContact O-CA 3.14Å
281	I	95.7	Very high	96.1	Very high	104 Å²	104	51.6 Å²	51.6	53%	0.533	28%	0.277	S	S	.	.	S	Bend	trans	-73.1	-28.2	178.8	-167	169.5	0	0	0	111.6	Q283 D307	I281-Q283 PolarHBondContact O-N 2.97Å; I281-D307 HydrophobicContact CD1-CB 4.1Å
282	N	93.8	Very high	96	Very high	71 Å²	71	46 Å²	46	38%	0.38	25%	0.254	S	S	.	.			trans	-91.3	106.2	-174.7	-176.1	-33	0	0	0	110.6	D280 A284 R285 C286	D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 WeakPolarHBondContact OD1-CB 3.35Å; D280-N282 PolarHBondContact OD1-N 2.87Å; N282-A284 PolarHBondContact O-N 2.96Å; N282-A284 WeakPolarHBondContact OD1-CA 3.24Å; N282-A284 WeakPolarHBondContact OD1-CB 3.43Å; N282-A284 PolarHBondContact OD1-N 2.96Å; N282-R285 HydrophobicContact CB-CB 4.04Å; N282-R285 HydrophobicContact CB-CG 3.97Å; N282-R285 WeakPolarHBondContact O-CA 3.42Å; N282-R285 WeakPolarHBondContact O-CB 3.46Å; N282-R285 PolarHBondContact O-N 2.97Å; N282-R285 PolarHBondContact OD1-N 3.11Å; N282-R285 VanDerWaalsContact OD1-N 3.15Å; N282-C286 PolarHBondContact O-N 3.21Å; N282-C286 PolarHBondContact O-SG 3.42Å; N282-C286 VanDerWaalsContact O-SG 3.4Å
283	Q	93.1	Very high	96	Very high	135 Å²	135	45 Å²	45	63%	0.631	25%	0.248	S	C	*	.	H	α-helix	trans	-58.5	-32.8	-179.6	-166.8	-179.9	20.7	0	0	113.5	I281 C286	I281-Q283 PolarHBondContact O-N 2.97Å; Q283-C286 WeakPolarHBondContact O-CB 3Å; Q283-C286 PolarHBondContact O-N 3.47Å
284	A	93.4	Very high	95.9	Very high	68 Å²	68	51.4 Å²	51.4	56%	0.562	28%	0.276	S	S	*	.	H	α-helix	trans	-67.9	-39.7	175.5	0	0	0	0	0	111.1	N282 C286 K287	N282-A284 PolarHBondContact O-N 2.96Å; N282-A284 WeakPolarHBondContact OD1-CA 3.24Å; N282-A284 WeakPolarHBondContact OD1-CB 3.43Å; N282-A284 PolarHBondContact OD1-N 2.96Å; A284-C286 VanDerWaalsContact C-N 3.32Å; A284-C286 PolarHBondContact O-N 3.22Å; A284-K287 WeakPolarHBondContact O-CB 3.43Å; A284-K287 PolarHBondContact O-N 3.44Å
285	R	93.9	Very high	95.9	Very high	112 Å²	112	52 Å²	52	42%	0.423	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-29.1	174.9	-65	-179.5	75.8	-143	4.9	112.1	A258 D280 N282 K287 S288 I289	A258-R285 HydrophobicContact CB-CB 3.7Å; A258-R285 PolarHBondContact O-NH2 3.09Å; A258-R285 VanDerWaalsContact O-NH2 3.09Å; D280-R285 IonicContact OD1-NH1 2.71Å; D280-R285 IonicContact OD2-NH1 3.21Å; D280-R285 PolarHBondContact OD2-NH1 3.28Å; N282-R285 HydrophobicContact CB-CB 4.04Å; N282-R285 HydrophobicContact CB-CG 3.97Å; N282-R285 WeakPolarHBondContact O-CA 3.42Å; N282-R285 WeakPolarHBondContact O-CB 3.46Å; N282-R285 PolarHBondContact O-N 2.97Å; N282-R285 PolarHBondContact OD1-N 3.11Å; N282-R285 VanDerWaalsContact OD1-N 3.15Å; R285-K287 PolarHBondContact O-N 3.31Å; R285-S288 WeakPolarHBondContact O-CB 3.46Å; R285-S288 PolarHBondContact O-N 2.94Å; R285-S288 PolarHBondContact O-OG 2.76Å; R285-I289 PolarHBondContact O-N 3.17Å
286	C	94.9	Very high	95.9	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-29.9	173.2	-67.2	0	0	0	0	113.3	N282 Q283 A284 S288 I289 A290 V303	N282-C286 PolarHBondContact O-N 3.21Å; N282-C286 PolarHBondContact O-SG 3.42Å; N282-C286 VanDerWaalsContact O-SG 3.4Å; Q283-C286 WeakPolarHBondContact O-CB 3Å; Q283-C286 PolarHBondContact O-N 3.47Å; A284-C286 VanDerWaalsContact C-N 3.32Å; A284-C286 PolarHBondContact O-N 3.22Å; C286-S288 VanDerWaalsContact C-N 3.31Å; C286-S288 PolarHBondContact O-N 3.37Å; C286-I289 WeakPolarHBondContact O-CB 3.29Å; C286-I289 PolarHBondContact O-N 3.01Å; C286-A290 PolarHBondContact O-N 3.5Å; C286-V303 HydrophobicContact CB-CG1 3.89Å
287	K	94.8	Very high	95.9	Very high	159 Å²	159	51.3 Å²	51.3	69%	0.691	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-39.7	174.3	-61.5	-177.3	-179.1	179.9	0	111.9	A284 R285 I289 A290 A291	A284-K287 WeakPolarHBondContact O-CB 3.43Å; A284-K287 PolarHBondContact O-N 3.44Å; R285-K287 PolarHBondContact O-N 3.31Å; K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 3.27Å; K287-A290 PolarHBondContact O-N 3.24Å; K287-A291 WeakPolarHBondContact O-CB 3.31Å; K287-A291 PolarHBondContact O-N 3.43Å
288	S	95.3	Very high	95.9	Very high	42 Å²	42	51.7 Å²	51.7	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-36.4	176.4	73.1	0	0	0	0	112.2	P259 R285 C286 N292	P259-S288 CarbonylContact O-C 3.57Å; R285-S288 WeakPolarHBondContact O-CB 3.46Å; R285-S288 PolarHBondContact O-N 2.94Å; R285-S288 PolarHBondContact O-OG 2.76Å; C286-S288 VanDerWaalsContact C-N 3.31Å; C286-S288 PolarHBondContact O-N 3.37Å; S288-N292 WeakPolarHBondContact O-CB 3.38Å; S288-N292 PolarHBondContact O-N 3.05Å; S288-N292 PolarHBondContact O-ND2 3.31Å
289	I	96.4	Very high	95.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-51.1	175.5	-55.4	171.7	0	0	0	109.6	A257 A258 A278 D280 R285 C286 K287 A291 N292 I293 V303	A257-I289 HydrophobicContact CB-CD1 4.11Å; A258-I289 HydrophobicContact CB-CD1 3.88Å; A258-I289 HydrophobicContact CB-CG1 3.98Å; A278-I289 HydrophobicContact CB-CG2 3.9Å; D280-I289 HydrophobicContact CB-CD1 3.86Å; R285-I289 PolarHBondContact O-N 3.17Å; C286-I289 WeakPolarHBondContact O-CB 3.29Å; C286-I289 PolarHBondContact O-N 3.01Å; K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 3.27Å; I289-A291 VanDerWaalsContact C-N 3.35Å; I289-A291 PolarHBondContact O-N 3.43Å; I289-N292 PolarHBondContact O-N 2.98Å; I289-I293 HydrophobicContact CG2-CD1 3.65Å; I289-I293 HydrophobicContact CG2-CG1 4.3Å; I289-I293 WeakPolarHBondContact O-CB 3.47Å; I289-I293 WeakPolarHBondContact O-CG1 3.17Å; I289-I293 PolarHBondContact O-N 3Å; I289-V303 HydrophobicContact CB-CG1 4.36Å; I289-V303 HydrophobicContact CB-CG2 4.42Å; I289-V303 HydrophobicContact CG2-CG1 4.32Å; I289-V303 HydrophobicContact CG2-CG2 3.83Å
290	A	96.4	Very high	95.9	Very high	25 Å²	25	59.7 Å²	59.7	21%	0.207	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-43.6	179.5	0	0	0	0	0	112.1	C286 K287 N292 I293 H294 V303	C286-A290 PolarHBondContact O-N 3.5Å; K287-A290 PolarHBondContact O-N 3.24Å; A290-N292 PolarHBondContact O-N 3.04Å; A290-I293 PolarHBondContact O-N 3.47Å; A290-H294 WeakPolarHBondContact O-CB 3.26Å; A290-H294 PolarHBondContact O-N 2.65Å; A290-V303 HydrophobicContact CB-CG2 4.45Å
291	A	95.7	Very high	95.9	Very high	60 Å²	60	60.4 Å²	60.4	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-45	177	0	0	0	0	0	112.1	K287 I289 R295	K287-A291 WeakPolarHBondContact O-CB 3.31Å; K287-A291 PolarHBondContact O-N 3.43Å; I289-A291 VanDerWaalsContact C-N 3.35Å; I289-A291 PolarHBondContact O-N 3.43Å; A291-R295 WeakPolarHBondContact O-CB 3.12Å; A291-R295 PolarHBondContact O-N 3.23Å
292	N	96.8	Very high	96	Very high	24 Å²	24	58 Å²	58	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-42.3	177.9	-80.7	-43.1	0	0	0	112.5	P259 S288 I289 A290 H294 R295 L296	P259-N292 PolarHBondContact O-ND2 3.08Å; S288-N292 WeakPolarHBondContact O-CB 3.38Å; S288-N292 PolarHBondContact O-N 3.05Å; S288-N292 PolarHBondContact O-ND2 3.31Å; I289-N292 PolarHBondContact O-N 2.98Å; A290-N292 PolarHBondContact O-N 3.04Å; N292-H294 VanDerWaalsContact C-N 3.33Å; N292-H294 PolarHBondContact O-N 2.81Å; N292-R295 PolarHBondContact O-N 3.26Å; N292-R295 PolarHBondContact OD1-NH2 2.86Å; N292-L296 WeakPolarHBondContact O-CB 3.36Å; N292-L296 WeakPolarHBondContact O-CG 3.5Å; N292-L296 PolarHBondContact O-N 2.68Å
293	I	96	Very high	96.1	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-46.5	175.7	-76.5	175.9	0	0	0	110.4	A278 I289 A290 N297 V298 A301 V303	A278-I293 HydrophobicContact CB-CD1 4.24Å; I289-I293 HydrophobicContact CG2-CD1 3.65Å; I289-I293 HydrophobicContact CG2-CG1 4.3Å; I289-I293 WeakPolarHBondContact O-CB 3.47Å; I289-I293 WeakPolarHBondContact O-CG1 3.17Å; I289-I293 PolarHBondContact O-N 3Å; A290-I293 PolarHBondContact O-N 3.47Å; I293-N297 PolarHBondContact O-N 3.18Å; I293-V298 HydrophobicContact CB-CB 4.33Å; I293-V298 HydrophobicContact CG1-CB 4.46Å; I293-V298 HydrophobicContact CG1-CG1 4.46Å; I293-V298 HydrophobicContact CG2-CB 3.86Å; I293-V298 HydrophobicContact CG2-CG1 4.04Å; I293-V298 WeakPolarHBondContact CG2-O 3.42Å; I293-V298 PolarHBondContact O-N 3.25Å; I293-A301 HydrophobicContact CD1-CB 3.96Å; I293-A301 HydrophobicContact CG2-CB 4.46Å; I293-V303 HydrophobicContact CD1-CG2 3.71Å
294	H	96.2	Very high	96.2	Very high	148 Å²	148	49.6 Å²	49.6	69%	0.685	26%	0.262	S	S	*	.	H	α-helix	trans	-64.2	-51.6	178.3	-175.2	-92.7	0	0	0	111.9	A290 N292 L296 N297	A290-H294 WeakPolarHBondContact O-CB 3.26Å; A290-H294 PolarHBondContact O-N 2.65Å; N292-H294 VanDerWaalsContact C-N 3.33Å; N292-H294 PolarHBondContact O-N 2.81Å; H294-L296 VanDerWaalsContact C-N 3.3Å; H294-L296 PolarHBondContact O-N 2.71Å; H294-N297 PolarHBondContact O-N 3.24Å; H294-N297 VanDerWaalsContact O-N 3.09Å
295	R	97.1	Very high	96.4	Very high	38 Å²	38	47.5 Å²	47.5	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-42.4	179.2	-176.6	179.2	64.4	100.2	0.8	112.1	K182 Y225 Y230 A291 N292 N297	K182-R295 PolarHBondContact NZ-O 2.96Å; Y225-R295 PolarHBondContact O-NH1 2.7Å; Y230-R295 PolarHBondContact O-NH1 2.86Å; A291-R295 WeakPolarHBondContact O-CB 3.12Å; A291-R295 PolarHBondContact O-N 3.23Å; N292-R295 PolarHBondContact O-N 3.26Å; N292-R295 PolarHBondContact OD1-NH2 2.86Å; R295-N297 PolarHBondContact O-N 3.04Å
296	L	97.4	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	1.8	-177.8	-62.1	172.2	0	0	0	113.4	N179 G228 M231 S264 N292 H294 V298	N179-L296 HydrophobicContact CB-CD2 4.36Å; N179-L296 PolarHBondContact ND2-O 3.45Å; G228-L296 WeakPolarHBondContact O-CD2 3.33Å; M231-L296 HydrophobicContact CB-CD1 4.38Å; M231-L296 HydrophobicContact SD-CD1 3.86Å; S264-L296 VanDerWaalsContact CB-CD1 3.46Å; S264-L296 WeakPolarHBondContact OG-CD1 3.22Å; N292-L296 WeakPolarHBondContact O-CB 3.36Å; N292-L296 WeakPolarHBondContact O-CG 3.5Å; N292-L296 PolarHBondContact O-N 2.68Å; H294-L296 VanDerWaalsContact C-N 3.3Å; H294-L296 PolarHBondContact O-N 2.71Å; L296-V298 VanDerWaalsContact C-N 3.29Å; L296-V298 HydrophobicContact CB-CG2 4.25Å; L296-V298 PolarHBondContact O-N 3.5Å
297	N	97.3	Very high	96.4	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.332	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	41.2	-179.4	-169.9	41.5	0	0	0	112.7	N272 I293 H294 R295 K299	N272-N297 PolarHBondContact ND2-O 3.19Å; I293-N297 PolarHBondContact O-N 3.18Å; H294-N297 PolarHBondContact O-N 3.24Å; H294-N297 VanDerWaalsContact O-N 3.09Å; R295-N297 PolarHBondContact O-N 3.04Å; N297-K299 WeakPolarHBondContact OD1-CE 3.48Å
298	V	97.9	Very high	96.4	Very high	12 Å²	12	37.2 Å²	37.2	7%	0.073	21%	0.205	C	C	.	.			trans	-82	119.4	172.1	170.6	0	0	0	0	108.3	L181 A267 N272 I293 L296 A301	L181-V298 HydrophobicContact CD1-CG2 4.15Å; A267-V298 HydrophobicContact CB-CB 4.2Å; A267-V298 HydrophobicContact CB-CG1 3.42Å; A267-V298 VanDerWaalsContact CB-CG1 3.42Å; A267-V298 HydrophobicContact CB-CG2 3.77Å; N272-V298 WeakPolarHBondContact OD1-CA 3.49Å; I293-V298 HydrophobicContact CB-CB 4.33Å; I293-V298 HydrophobicContact CG1-CB 4.46Å; I293-V298 HydrophobicContact CG1-CG1 4.46Å; I293-V298 HydrophobicContact CG2-CB 3.86Å; I293-V298 HydrophobicContact CG2-CG1 4.04Å; I293-V298 WeakPolarHBondContact CG2-O 3.42Å; I293-V298 PolarHBondContact O-N 3.25Å; L296-V298 VanDerWaalsContact C-N 3.29Å; L296-V298 HydrophobicContact CB-CG2 4.25Å; L296-V298 PolarHBondContact O-N 3.5Å; V298-A301 HydrophobicContact CG1-CB 3.5Å
299	K	96.9	Very high	96.4	Very high	154 Å²	154	40.3 Å²	40.3	67%	0.67	21%	0.21	S	C	*	.			trans	-109.4	-24	-170.8	-59.7	-177.1	-177.6	179.7	0	113.9	N272 N297 A301	N272-K299 HydrophobicContact CB-CB 4.45Å; N272-K299 PolarHBondContact OD1-N 2.08Å; N297-K299 WeakPolarHBondContact OD1-CE 3.48Å; K299-A301 VanDerWaalsContact C-N 3.35Å
300	N	97.8	Very high	96.2	Very high	14 Å²	14	47.7 Å²	47.7	8%	0.075	24%	0.242	C	C	.	.	S	Bend	trans	-92.6	12.3	-176.5	66.1	-22	0	0	0	113.7	A267 N272 S273 L276	A267-N300 WeakPolarHBondContact CB-OD1 3.23Å; N272-N300 WeakPolarHBondContact O-CB 3.39Å; N272-N300 PolarHBondContact OD1-OD1 3.22Å; S273-N300 PolarHBondContact O-ND2 3.13Å; L276-N300 PolarHBondContact N-O 2.92Å
301	A	97.6	Very high	95.8	Very high	20 Å²	20	46.7 Å²	46.7	17%	0.165	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139	-172.8	0	0	0	0	0	112.9	L276 I293 V298 K299	L276-A301 HydrophobicContact CB-CB 4.03Å; L276-A301 HydrophobicContact CD2-CB 3.97Å; L276-A301 HydrophobicContact CG-CB 4.11Å; L276-A301 CarbonylContact O-C 3.58Å; L276-A301 VanDerWaalsContact O-CA 3.25Å; L276-A301 WeakPolarHBondContact O-CA 3.28Å; I293-A301 HydrophobicContact CD1-CB 3.96Å; I293-A301 HydrophobicContact CG2-CB 4.46Å; V298-A301 HydrophobicContact CG1-CB 3.5Å; K299-A301 VanDerWaalsContact C-N 3.35Å
302	I	96.7	Very high	95.4	Very high	55 Å²	55	49.9 Å²	49.9	28%	0.282	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.3	165.2	62.2	157.3	0	0	0	110.6	F275 L276 V277 A278 T304	F275-I302 HydrophobicContact CE1-CD1 4.26Å; F275-I302 HydrophobicContact CE1-CG1 4.38Å; F275-I302 HydrophobicContact CE2-CD1 4.34Å; F275-I302 HydrophobicContact CE2-CG1 4.11Å; F275-I302 HydrophobicContact CE2-CG2 3.95Å; F275-I302 HydrophobicContact CZ-CD1 3.53Å; F275-I302 HydrophobicContact CZ-CG1 3.65Å; F275-I302 HydrophobicContact CZ-CG2 4.24Å; L276-I302 PolarHBondContact O-N 2.96Å; V277-I302 HydrophobicContact CB-CG1 4.37Å; V277-I302 HydrophobicContact CG1-CD1 4.49Å; V277-I302 HydrophobicContact CG1-CG1 4.38Å; V277-I302 HydrophobicContact CG2-CD1 4Å; V277-I302 HydrophobicContact CG2-CG1 3.86Å; A278-I302 PolarHBondContact N-O 3.13Å; I302-T304 HydrophobicContact CD1-CG2 3.91Å; I302-T304 HydrophobicContact CG1-CG2 4.49Å
303	V	96.8	Very high	94.6	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	175.3	-176.2	0	0	0	0	109.4	A278 C286 I289 A290 I293	A278-V303 WeakPolarHBondContact O-CA 3.42Å; C286-V303 HydrophobicContact CB-CG1 3.89Å; I289-V303 HydrophobicContact CB-CG1 4.36Å; I289-V303 HydrophobicContact CB-CG2 4.42Å; I289-V303 HydrophobicContact CG2-CG1 4.32Å; I289-V303 HydrophobicContact CG2-CG2 3.83Å; A290-V303 HydrophobicContact CB-CG2 4.45Å; I293-V303 HydrophobicContact CD1-CG2 3.71Å
304	T	96	Very high	94.3	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.049	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.1	177.6	62.8	0	0	0	0	111.9	V277 A278 N279 D280 I302	V277-T304 HydrophobicContact CG1-CG2 4.06Å; A278-T304 PolarHBondContact O-N 2.85Å; N279-T304 WeakPolarHBondContact CA-O 3.33Å; N279-T304 WeakPolarHBondContact CB-OG1 3.29Å; N279-T304 PolarHBondContact OD1-O 3.18Å; N279-T304 PolarHBondContact OD1-OG1 2.85Å; D280-T304 PolarHBondContact N-O 2.64Å; D280-T304 VanDerWaalsContact N-O 3.14Å; I302-T304 HydrophobicContact CD1-CG2 3.91Å; I302-T304 HydrophobicContact CG1-CG2 4.49Å
305	S	95.8	Very high	94.2	Very high	24 Å²	24	52.8 Å²	52.8	17%	0.168	25%	0.253	C	S	.	.			trans	-111.8	86.5	172.8	-162.3	0	0	0	0	110	N14 D280	N14-S305 PolarHBondContact ND2-O 3.35Å; D280-S305 VanDerWaalsContact O-CA 3.29Å; D280-S305 WeakPolarHBondContact O-CA 3.14Å
306	I	95.1	Very high	94.3	Very high	24 Å²	24	51 Å²	51	12%	0.123	25%	0.246	C	C	.	.			trans	-133.8	139.3	-178	-55.5	168	0	0	0	108.8	N279 G308 F311 K313	N279-I306 PolarHBondContact ND2-O 2.66Å; N279-I306 WeakPolarHBondContact OD1-CB 3.33Å; N279-I306 PolarHBondContact OD1-N 3.49Å; N279-I306 PolarHBondContact OD1-O 3.14Å; I306-G308 PolarHBondContact O-N 2.83Å; I306-G308 VanDerWaalsContact O-N 3.12Å; I306-F311 HydrophobicContact CB-CD2 4.12Å; I306-F311 HydrophobicContact CD1-CD2 4.13Å; I306-F311 HydrophobicContact CD1-CE2 3.91Å; I306-F311 HydrophobicContact CG2-CD2 4.14Å; I306-K313 HydrophobicContact CD1-CD 3.88Å
307	D	95.7	Very high	94.3	Very high	33 Å²	33	52.3 Å²	52.3	18%	0.176	25%	0.253	C	S	.	.			trans	-60.3	116.2	170.7	-175.6	-15.4	0	0	0	110.3	I281 R309 K310 F311	I281-D307 HydrophobicContact CD1-CB 4.1Å; D307-R309 PolarHBondContact O-N 3.13Å; D307-R309 VanDerWaalsContact OD1-CB 3.31Å; D307-R309 WeakPolarHBondContact OD1-CB 3.28Å; D307-R309 WeakPolarHBondContact OD1-CG 3.29Å; D307-R309 IonicContact OD1-CZ 2.61Å; D307-R309 PolarHBondContact OD1-N 3.07Å; D307-R309 IonicContact OD1-NE 3.91Å; D307-R309 PolarHBondContact OD1-NE 3.41Å; D307-R309 IonicContact OD1-NH2 2.73Å; D307-R309 IonicContact OD2-CZ 3.84Å; D307-R309 IonicContact OD2-NE 2.97Å; D307-R309 PolarHBondContact OD2-NE 3.49Å; D307-R309 IonicContact OD2-NH2 3.84Å; D307-R309 PolarHBondContact OD2-NH2 2.81Å; D307-K310 CarbonylContact O-C 3.57Å; D307-K310 PolarHBondContact O-N 3.48Å; D307-F311 PolarHBondContact O-N 3.22Å; D307-F311 VanDerWaalsContact O-N 3.13Å
308	G	93.6	Very high	94.3	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.8	-179.7	0	0	0	0	0	113.8	I306 K310 N359	I306-G308 PolarHBondContact O-N 2.83Å; I306-G308 VanDerWaalsContact O-N 3.12Å; G308-K310 VanDerWaalsContact C-N 3.29Å; G308-K310 PolarHBondContact O-N 3.15Å; G308-N359 PolarHBondContact O-ND2 3.39Å
309	R	94.8	Very high	94.4	Very high	108 Å²	108	49 Å²	49	41%	0.408	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-22.1	175.2	-60	173	-70.6	-172.5	0.5	113.2	D307 L352 Q355 L356	D307-R309 PolarHBondContact O-N 3.13Å; D307-R309 VanDerWaalsContact OD1-CB 3.31Å; D307-R309 WeakPolarHBondContact OD1-CB 3.28Å; D307-R309 WeakPolarHBondContact OD1-CG 3.29Å; D307-R309 IonicContact OD1-CZ 2.61Å; D307-R309 PolarHBondContact OD1-N 3.07Å; D307-R309 IonicContact OD1-NE 3.91Å; D307-R309 PolarHBondContact OD1-NE 3.41Å; D307-R309 IonicContact OD1-NH2 2.73Å; D307-R309 IonicContact OD2-CZ 3.84Å; D307-R309 IonicContact OD2-NE 2.97Å; D307-R309 PolarHBondContact OD2-NE 3.49Å; D307-R309 IonicContact OD2-NH2 3.84Å; D307-R309 PolarHBondContact OD2-NH2 2.81Å; R309-L352 HydrophobicContact CG-CD1 4.28Å; R309-Q355 HydrophobicContact CG-CB 4.05Å; R309-L356 HydrophobicContact CG-CD2 3.79Å; R309-L356 HydrophobicContact CG-CG 4.27Å
310	K	92	Very high	94.5	Very high	154 Å²	154	41.7 Å²	41.7	67%	0.67	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.6	4.5	-175	-59.9	-175.1	-177.7	179.2	0	113.2	D307 G308 N312	D307-K310 CarbonylContact O-C 3.57Å; D307-K310 PolarHBondContact O-N 3.48Å; G308-K310 VanDerWaalsContact C-N 3.29Å; G308-K310 PolarHBondContact O-N 3.15Å; K310-N312 PolarHBondContact O-N 3.16Å; K310-N312 VanDerWaalsContact O-N 3.15Å
311	F	90	Very high	94.5	Very high	4 Å²	4	41 Å²	41	2%	0.018	20%	0.2	C	C	.	.			trans	-59.4	118.1	176.8	-162.4	-70.9	0	0	0	109.7	L253 V277 N279 I306 D307 K313 F316 N359 Q363	L253-F311 HydrophobicContact CD1-CD2 4.47Å; L253-F311 HydrophobicContact CD1-CE1 4.33Å; L253-F311 HydrophobicContact CD1-CE2 3.89Å; L253-F311 HydrophobicContact CD1-CZ 3.81Å; L253-F311 HydrophobicContact CD2-CD1 4.12Å; L253-F311 HydrophobicContact CD2-CE1 4.16Å; L253-F311 HydrophobicContact CD2-CG 4.42Å; L253-F311 HydrophobicContact CD2-CZ 4.44Å; V277-F311 HydrophobicContact CG1-CE2 4.25Å; V277-F311 HydrophobicContact CG1-CZ 4.1Å; N279-F311 HydrophobicContact CB-CE2 4.29Å; I306-F311 HydrophobicContact CB-CD2 4.12Å; I306-F311 HydrophobicContact CD1-CD2 4.13Å; I306-F311 HydrophobicContact CD1-CE2 3.91Å; I306-F311 HydrophobicContact CG2-CD2 4.14Å; D307-F311 PolarHBondContact O-N 3.22Å; D307-F311 VanDerWaalsContact O-N 3.13Å; F311-K313 HydrophobicContact CE1-CB 4.36Å; F311-F316 HydrophobicContact CD1-CE2 4.43Å; F311-F316 AromaticContact CE1-CE2 3.61Å; F311-F316 HydrophobicContact CE1-CE2 3.61Å; F311-F316 AromaticContact CE1-CZ 3.86Å; F311-F316 HydrophobicContact CE1-CZ 3.86Å; F311-F316 HydrophobicContact CZ-CE2 4.2Å; F311-F316 AromaticContact CZ-CZ 4Å; F311-F316 HydrophobicContact CZ-CZ 4Å; F311-N359 PolarHBondContact N-ND2 3.18Å; F311-N359 VanDerWaalsContact N-ND2 3.19Å; F311-N359 PolarHBondContact O-ND2 3.05Å; F311-N359 PolarHBondContact O-OD1 2.73Å; F311-Q363 HydrophobicContact CD1-CG 4.02Å; F311-Q363 PolarHBondContact O-NE2 2.96Å; F311-Q363 PolarHBondContact O-OE1 3.29Å
312	N	87.3	Confident	94.5	Very high	128 Å²	128	41.6 Å²	41.6	68%	0.684	20%	0.2	S	C	*	.			trans	-147.5	21.3	-174.1	66.1	-6.5	0	0	0	114	K310	K310-N312 PolarHBondContact O-N 3.16Å; K310-N312 VanDerWaalsContact O-N 3.15Å
313	K	79.3	Confident	94.5	Very high	87 Å²	87	39.1 Å²	39.1	38%	0.378	19%	0.188	S	C	.	.	S	Bend	trans	-79.5	-45.7	-167.2	-66.5	-169.6	171.7	-175.2	0	114.1	F12 I306 F311	F12-K313 HydrophobicContact CE1-CD 4.36Å; I306-K313 HydrophobicContact CD1-CD 3.88Å; F311-K313 HydrophobicContact CE1-CB 4.36Å
314	I	89.3	Confident	94.5	Very high	68 Å²	68	41.1 Å²	41.1	35%	0.349	20%	0.201	S	C	.	.			trans	-147.2	160.1	-173.2	59.8	178.7	0	0	0	109.8	F275 V277 F316 Q363	F275-I314 HydrophobicContact CD1-CD1 4.39Å; F275-I314 HydrophobicContact CE1-CD1 3.94Å; V277-I314 HydrophobicContact CG2-CD1 4.45Å; I314-F316 HydrophobicContact CD1-CE1 3.63Å; I314-F316 HydrophobicContact CD1-CE2 4.3Å; I314-F316 HydrophobicContact CD1-CZ 3.52Å; I314-F316 HydrophobicContact CG1-CD2 4.39Å; I314-F316 HydrophobicContact CG1-CE1 3.88Å; I314-F316 HydrophobicContact CG1-CE2 3.61Å; I314-F316 HydrophobicContact CG1-CZ 3.32Å; I314-F316 WeakPolarHBondContact O-CE2 3.18Å; I314-Q363 PolarHBondContact O-OE1 3.44Å
315	K	94.7	Very high	94.5	Very high	92 Å²	92	41.8 Å²	41.8	40%	0.4	21%	0.206	S	C	.	.			trans	-92.3	145.4	171.4	-60.1	-60.7	-172.7	-166.9	0	110.6	D362 Q363 N365	K315-D362 PolarHBondContact NZ-O 3.01Å; K315-Q363 VanDerWaalsContact CA-O 3.31Å; K315-Q363 WeakPolarHBondContact CA-O 3.17Å; K315-N365 HydrophobicContact CB-CB 4.05Å
316	F	97.7	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-119.1	149.4	-178.2	-60.8	-89.3	0	0	0	110.8	K251 I252 L253 V277 F311 I314 R318 V319 Q363 V364 N365	K251-F316 HydrophobicContact CB-CD1 4.09Å; K251-F316 CarbonylContact O-C 3.51Å; K251-F316 WeakPolarHBondContact O-CB 3.31Å; I252-F316 VanDerWaalsContact C-CD1 3.45Å; L253-F316 HydrophobicContact CB-CB 4.47Å; L253-F316 HydrophobicContact CB-CD1 3.78Å; L253-F316 HydrophobicContact CB-CD2 3.71Å; L253-F316 HydrophobicContact CB-CE1 3.79Å; L253-F316 HydrophobicContact CB-CE2 3.73Å; L253-F316 HydrophobicContact CB-CG 3.72Å; L253-F316 HydrophobicContact CB-CZ 3.75Å; L253-F316 HydrophobicContact CD1-CE2 4.3Å; L253-F316 HydrophobicContact CD1-CZ 4Å; L253-F316 HydrophobicContact CD2-CD2 4.08Å; L253-F316 HydrophobicContact CD2-CE2 3.75Å; L253-F316 HydrophobicContact CD2-CZ 4.3Å; L253-F316 HydrophobicContact CG-CD2 4.47Å; L253-F316 HydrophobicContact CG-CE2 4.13Å; L253-F316 HydrophobicContact CG-CZ 4.23Å; V277-F316 HydrophobicContact CB-CE1 4.01Å; V277-F316 HydrophobicContact CB-CZ 4.15Å; V277-F316 HydrophobicContact CG2-CE1 3.62Å; V277-F316 HydrophobicContact CG2-CZ 3.89Å; F311-F316 HydrophobicContact CD1-CE2 4.43Å; F311-F316 AromaticContact CE1-CE2 3.61Å; F311-F316 HydrophobicContact CE1-CE2 3.61Å; F311-F316 AromaticContact CE1-CZ 3.86Å; F311-F316 HydrophobicContact CE1-CZ 3.86Å; F311-F316 HydrophobicContact CZ-CE2 4.2Å; F311-F316 AromaticContact CZ-CZ 4Å; F311-F316 HydrophobicContact CZ-CZ 4Å; I314-F316 HydrophobicContact CD1-CE1 3.63Å; I314-F316 HydrophobicContact CD1-CE2 4.3Å; I314-F316 HydrophobicContact CD1-CZ 3.52Å; I314-F316 HydrophobicContact CG1-CD2 4.39Å; I314-F316 HydrophobicContact CG1-CE1 3.88Å; I314-F316 HydrophobicContact CG1-CE2 3.61Å; I314-F316 HydrophobicContact CG1-CZ 3.32Å; I314-F316 WeakPolarHBondContact O-CE2 3.18Å; F316-R318 VanDerWaalsContact C-N 3.33Å; F316-R318 WeakPolarHBondContact CB-O 3.46Å; F316-V319 HydrophobicContact CB-CG2 3.95Å; F316-V319 HydrophobicContact CD2-CG2 4.44Å; F316-V319 HydrophobicContact CG-CG2 4.49Å; F316-Q363 HydrophobicContact CD2-CB 4.05Å; F316-Q363 HydrophobicContact CE2-CB 4.47Å; F316-Q363 PolarHBondContact N-O 3.41Å; F316-V364 CarbonylContact O-C 3.56Å; F316-V364 WeakPolarHBondContact O-CA 3.37Å; F316-N365 PolarHBondContact O-N 3.47Å
317	D	98	Very high	94.5	Very high	28 Å²	28	40 Å²	40	15%	0.15	20%	0.196	C	C	.	.	S	Bend	trans	-69.9	-37.7	172.8	-59.4	-66.1	0	0	0	110.3	E250 K251 S368 G371 G372 Y373	E250-D317 HydrophobicContact CB-CB 4.09Å; E250-D317 HydrophobicContact CG-CB 4.11Å; K251-D317 PolarHBondContact N-OD2 3.4Å; K251-D317 PolarHBondContact O-N 2.78Å; D317-S368 WeakPolarHBondContact CB-OG 3.33Å; D317-S368 WeakPolarHBondContact OD1-CB 3.44Å; D317-S368 PolarHBondContact OD1-OG 2.95Å; D317-G371 CarbonylContact O-C 3.52Å; D317-G371 WeakPolarHBondContact O-CA 3.35Å; D317-G372 PolarHBondContact O-N 2.72Å; D317-Y373 PolarHBondContact O-N 2.95Å
318	R	98.5	Very high	94.4	Very high	6 Å²	6	38.4 Å²	38.4	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.3	175.1	-56.6	-174.3	-165.2	-98.8	-16.6	112.1	L244 D245 E250 K251 I252 L253 F316 T370 Y373	L244-R318 HydrophobicContact CD1-CB 3.87Å; L244-R318 HydrophobicContact CG-CB 4.2Å; L244-R318 WeakPolarHBondContact O-CD 3.34Å; L244-R318 PolarHBondContact O-NH1 2.92Å; D245-R318 PolarHBondContact O-NE 3.34Å; D245-R318 PolarHBondContact O-NH1 3.1Å; D245-R318 VanDerWaalsContact O-NH1 3.12Å; E250-R318 IonicContact OE1-CZ 2.7Å; E250-R318 IonicContact OE1-NE 2.97Å; E250-R318 PolarHBondContact OE1-NE 3.48Å; E250-R318 IonicContact OE1-NH2 3.6Å; E250-R318 PolarHBondContact OE1-NH2 3.42Å; E250-R318 WeakPolarHBondContact OE2-CD 3.38Å; E250-R318 IonicContact OE2-CZ 2.73Å; E250-R318 IonicContact OE2-NE 3.74Å; E250-R318 PolarHBondContact OE2-NE 3.27Å; E250-R318 IonicContact OE2-NH2 3.68Å; K251-R318 PolarHBondContact O-N 2.9Å; I252-R318 WeakPolarHBondContact CA-O 3.46Å; I252-R318 HydrophobicContact CD1-CB 4.32Å; I252-R318 HydrophobicContact CG1-CB 4.19Å; I252-R318 HydrophobicContact CG2-CB 4.34Å; L253-R318 PolarHBondContact N-O 2.93Å; L253-R318 VanDerWaalsContact N-O 3.11Å; F316-R318 VanDerWaalsContact C-N 3.33Å; F316-R318 WeakPolarHBondContact CB-O 3.46Å; R318-T370 PolarHBondContact NH2-O 3.27Å; R318-Y373 VanDerWaalsContact CA-O 3.28Å; R318-Y373 WeakPolarHBondContact CA-O 3.32Å
319	V	98.4	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.6	174.8	-179.7	0	0	0	0	108.9	L244 L253 F316 A360 Q363 V364 Y373 L374 V375	L244-V319 VanDerWaalsContact CD1-O 3.27Å; L244-V319 WeakPolarHBondContact CD1-O 3.46Å; L253-V319 HydrophobicContact CB-CG1 4.24Å; L253-V319 HydrophobicContact CB-CG2 4.18Å; L253-V319 HydrophobicContact CD2-CG1 4.1Å; L253-V319 HydrophobicContact CG-CG1 4.32Å; L253-V319 CarbonylContact O-C 3.54Å; L253-V319 WeakPolarHBondContact O-CA 3.22Å; F316-V319 HydrophobicContact CB-CG2 3.95Å; F316-V319 HydrophobicContact CD2-CG2 4.44Å; F316-V319 HydrophobicContact CG-CG2 4.49Å; V319-A360 HydrophobicContact CG1-CB 3.98Å; V319-Q363 HydrophobicContact CG2-CB 4.19Å; V319-V364 HydrophobicContact CB-CG2 3.9Å; V319-V364 HydrophobicContact CG2-CG2 3.54Å; V319-Y373 PolarHBondContact N-O 2.95Å; V319-L374 HydrophobicContact CB-CD1 3.74Å; V319-L374 HydrophobicContact CG1-CD1 3.67Å; V319-L374 CarbonylContact O-C 3.56Å; V319-L374 VanDerWaalsContact O-CA 3.27Å; V319-L374 WeakPolarHBondContact O-CA 3.43Å; V319-L374 VanDerWaalsContact O-CD1 3.31Å; V319-L374 WeakPolarHBondContact O-CD1 3.13Å; V319-V375 PolarHBondContact O-N 3.47Å
320	L	98.6	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.9	169.5	-179.8	64.5	0	0	0	108.7	P240 V241 L244 L253 M255 K262 I266 V375	P240-L320 HydrophobicContact CB-CD1 3.63Å; V241-L320 HydrophobicContact CG2-CD2 4.33Å; L244-L320 HydrophobicContact CD2-CB 4.08Å; L253-L320 PolarHBondContact O-N 2.87Å; M255-L320 PolarHBondContact N-O 3Å; K262-L320 HydrophobicContact CB-CD2 3.79Å; K262-L320 HydrophobicContact CD-CD2 4.11Å; I266-L320 HydrophobicContact CD1-CB 4.33Å; I266-L320 HydrophobicContact CD1-CD2 3.71Å; L320-V375 HydrophobicContact CD1-CB 3.94Å; L320-V375 HydrophobicContact CD1-CG1 3.93Å
321	L	98.4	Very high	94.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	91	171.6	175.3	53.6	0	0	0	108.8	M255 A323 L356 L357 A360 L374 V375 Y376 S377	M255-L321 HydrophobicContact CB-CD1 4.34Å; M255-L321 HydrophobicContact CE-CD1 3.56Å; M255-L321 HydrophobicContact CE-CD2 4.08Å; M255-L321 HydrophobicContact CE-CG 4.36Å; L321-A323 HydrophobicContact CD1-CB 4.06Å; L321-A323 HydrophobicContact CG-CB 4.1Å; L321-A323 PolarHBondContact O-N 3.17Å; L321-L356 HydrophobicContact CD1-CB 4.16Å; L321-L356 HydrophobicContact CD1-CD1 4.48Å; L321-L356 HydrophobicContact CD2-CB 3.88Å; L321-L357 VanDerWaalsContact CD2-CA 3.47Å; L321-L357 HydrophobicContact CD2-CB 3.99Å; L321-L357 HydrophobicContact CD2-CD1 4.28Å; L321-A360 HydrophobicContact CB-CB 4.36Å; L321-A360 HydrophobicContact CD2-CB 4.03Å; L321-L374 HydrophobicContact CB-CD1 4.16Å; L321-V375 PolarHBondContact N-O 2.89Å; L321-Y376 HydrophobicContact CB-CD2 4.43Å; L321-Y376 HydrophobicContact CD2-CD2 3.8Å; L321-Y376 HydrophobicContact CD2-CE2 4.14Å; L321-Y376 HydrophobicContact CG-CD2 3.94Å; L321-Y376 HydrophobicContact CG-CE2 4.33Å; L321-Y376 WeakPolarHBondContact O-CA 3.29Å; L321-S377 PolarHBondContact O-N 3.36Å
322	D	97.6	Very high	94.8	Very high	31 Å²	31	27.4 Å²	27.4	17%	0.166	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	90	164.4	-168	41.4	0	0	0	108.5	C256 K262 S377	C256-D322 VanDerWaalsContact CB-O 3.23Å; C256-D322 WeakPolarHBondContact CB-O 3.38Å; K262-D322 HydrophobicContact CD-CB 3.93Å; K262-D322 VanDerWaalsContact CE-OD2 3.22Å; K262-D322 WeakPolarHBondContact CE-OD2 3.43Å; K262-D322 IonicContact NZ-OD1 3.75Å; K262-D322 IonicContact NZ-OD2 2.71Å; K262-D322 PolarHBondContact NZ-OD2 3.03Å; D322-S377 WeakPolarHBondContact CA-OG 3.25Å; D322-S377 PolarHBondContact OD1-OG 2.91Å
323	A	97.2	Very high	95	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	15%	0.148	C	C	.	.			trans	-76.6	142.7	-164.2	0	0	0	0	0	111.6	L321 C325 Q353 Y376 S377	L321-A323 HydrophobicContact CD1-CB 4.06Å; L321-A323 HydrophobicContact CG-CB 4.1Å; L321-A323 PolarHBondContact O-N 3.17Å; A323-C325 PolarHBondContact O-N 2.89Å; A323-Q353 HydrophobicContact CB-CG 3.8Å; A323-Y376 HydrophobicContact CB-CD2 4.46Å; A323-Y376 HydrophobicContact CB-CE2 3.63Å; A323-S377 PolarHBondContact N-O 3.45Å
324	P	96	Very high	95.6	Very high	62 Å²	62	29.2 Å²	29.2	40%	0.403	15%	0.146	S	C	.	.			trans	-56.5	128	169.6	25.2	-33.7	0	0	0	109.5	L352 Q353 L356	P324-L352 HydrophobicContact CG-CD2 3.76Å; P324-L352 HydrophobicContact CG-CG 4.43Å; P324-Q353 PolarHBondContact O-NE2 2.81Å; P324-L356 HydrophobicContact CG-CD1 3.96Å
325	C	96.8	Very high	95.8	Very high	22 Å²	22	29.5 Å²	29.5	15%	0.149	15%	0.152	C	C	.	.			trans	-129.9	170.6	-168.3	97.5	0	0	0	0	111.2	A323 G327 T378 C379 S380 E385	A323-C325 PolarHBondContact O-N 2.89Å; C325-G327 PolarHBondContact O-N 2.62Å; C325-G327 PolarHBondContact SG-N 2.87Å; C325-T378 HydrophobicContact CB-CG2 4.49Å; C325-C379 WeakPolarHBondContact CB-SG 3.33Å; C325-C379 WeakPolarHBondContact SG-CA 3.18Å; C325-C379 WeakPolarHBondContact SG-CB 3.27Å; C325-C379 PolarHBondContact SG-N 3.37Å; C325-C379 VanDerWaalsContact SG-N 3.41Å; C325-C379 PolarHBondContact SG-O 3.11Å; C325-C379 CovalentContact SG-SG 2.08Å; C325-C379 PolarHBondContact SG-SG 3.34Å; C325-S380 PolarHBondContact SG-N 3Å; C325-E385 WeakPolarHBondContact CA-OE1 3.46Å
326	S	95.5	Very high	95.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	15%	0.154	C	C	.	.			trans	-62	-24.3	174.3	61	0	0	0	0	114.2	S328 K341 S380 E385	S326-S328 PolarHBondContact OG-N 3.48Å; S326-S328 PolarHBondContact OG-OG 3.38Å; S326-K341 WeakPolarHBondContact O-CE 3.33Å; S326-K341 PolarHBondContact O-NZ 3.29Å; S326-S380 PolarHBondContact OG-OG 3.06Å; S326-E385 WeakPolarHBondContact CB-OE2 3.44Å; S326-E385 PolarHBondContact N-OE1 2.93Å; S326-E385 PolarHBondContact OG-OE2 3.41Å
327	G	94.8	Very high	95.6	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	16%	0.155	C	C	.	.			trans	82.3	14.8	-175.4	0	0	0	0	0	113.5	C325 G329 V330 C379	C325-G327 PolarHBondContact O-N 2.62Å; C325-G327 PolarHBondContact SG-N 2.87Å; G327-G329 PolarHBondContact O-N 2.95Å; G327-V330 WeakPolarHBondContact O-CG2 3.43Å; G327-V330 PolarHBondContact O-N 2.82Å; G327-C379 CarbonylContact C-O 3.55Å
328	S	94.7	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12	-175.9	60.7	0	0	0	0	115.3	S326 S380 V381 F382	S326-S328 PolarHBondContact OG-N 3.48Å; S326-S328 PolarHBondContact OG-OG 3.38Å; S328-S380 VanDerWaalsContact OG-CA 3.3Å; S328-S380 WeakPolarHBondContact OG-CA 3.29Å; S328-S380 PolarHBondContact OG-OG 3.09Å; S328-V381 PolarHBondContact OG-N 3.28Å; S328-F382 VanDerWaalsContact CB-CE2 3.41Å
329	G	94.9	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.2	172.5	0	0	0	0	0	115.2	G327 C379 G440	G327-G329 PolarHBondContact O-N 2.95Å; G329-C379 WeakPolarHBondContact CA-O 3.38Å; G329-C379 PolarHBondContact N-O 3.36Å; G329-G440 PolarHBondContact O-N 2.76Å
330	V	94.8	Very high	94.8	Very high	23 Å²	23	36 Å²	36	14%	0.139	20%	0.197	C	C	.	.			trans	-112.9	26.9	-175.1	-65.6	0	0	0	0	112.7	G327 S332 R333 D334 C379 A439	G327-V330 WeakPolarHBondContact O-CG2 3.43Å; G327-V330 PolarHBondContact O-N 2.82Å; V330-S332 VanDerWaalsContact C-N 3.28Å; V330-S332 PolarHBondContact O-N 3.46Å; V330-R333 PolarHBondContact O-N 2.92Å; V330-D334 PolarHBondContact O-N 3.1Å; V330-C379 HydrophobicContact CG1-CB 4.21Å; V330-A439 HydrophobicContact CG1-CB 3.88Å
331	I	94.8	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-36.8	-174.4	-60.8	174	0	0	0	112.4	Y144 F152 N168 R333 D334 P335 V337 K338	Y144-I331 HydrophobicContact CE1-CD1 3.94Å; F152-I331 HydrophobicContact CE2-CD1 4Å; F152-I331 HydrophobicContact CZ-CD1 3.69Å; N168-I331 HydrophobicContact CB-CB 4.13Å; N168-I331 HydrophobicContact CB-CG2 4.09Å; I331-R333 PolarHBondContact O-N 3.45Å; I331-D334 CarbonylContact O-C 3.56Å; I331-D334 PolarHBondContact O-N 2.82Å; I331-P335 WeakPolarHBondContact O-CA 3.35Å; I331-P335 VanDerWaalsContact O-N 3.12Å; I331-V337 HydrophobicContact CD1-CG1 4.49Å; I331-V337 HydrophobicContact CG1-CB 4.16Å; I331-V337 HydrophobicContact CG1-CG1 3.93Å; I331-K338 HydrophobicContact CG2-CD 4.05Å; I331-K338 VanDerWaalsContact CG2-CE 3.43Å; I331-K338 HydrophobicContact CG2-CG 3.49Å; I331-K338 VanDerWaalsContact CG2-CG 3.49Å
332	S	92.8	Very high	94.3	Very high	16 Å²	16	41.2 Å²	41.2	11%	0.112	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.3	175.5	49.9	0	0	0	0	113.8	N168 V170 V330	N168-S332 WeakPolarHBondContact O-CA 3.4Å; N168-S332 WeakPolarHBondContact O-CB 3.5Å; V170-S332 WeakPolarHBondContact O-CB 3.22Å; V330-S332 VanDerWaalsContact C-N 3.28Å; V330-S332 PolarHBondContact O-N 3.46Å
333	R	91.3	Very high	94.2	Very high	192 Å²	192	42.5 Å²	42.5	73%	0.725	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-33.7	175.5	-178.7	178.8	174	-167.2	-2.2	112.5	E234 V330 I331	E234-R333 WeakPolarHBondContact OE1-CD 3.46Å; E234-R333 IonicContact OE1-CZ 3.63Å; E234-R333 IonicContact OE1-NE 2.96Å; E234-R333 IonicContact OE1-NH1 3.52Å; E234-R333 PolarHBondContact OE1-NH1 3.24Å; V330-R333 PolarHBondContact O-N 2.92Å; I331-R333 PolarHBondContact O-N 3.45Å
334	D	93.6	Very high	94.1	Very high	61 Å²	61	46.1 Å²	46.1	33%	0.326	25%	0.254	S	S	.	.			trans	-128.2	82.9	179	-175.6	6.3	0	0	0	110.4	V330 I331 T336 V337	V330-D334 PolarHBondContact O-N 3.1Å; I331-D334 CarbonylContact O-C 3.56Å; I331-D334 PolarHBondContact O-N 2.82Å; D334-T336 PolarHBondContact O-N 3.26Å; D334-T336 VanDerWaalsContact O-N 3.08Å; D334-T336 VanDerWaalsContact OD1-CB 3.29Å; D334-T336 WeakPolarHBondContact OD1-CB 3.38Å; D334-T336 WeakPolarHBondContact OD1-CG2 3.33Å; D334-T336 PolarHBondContact OD1-N 2.96Å; D334-T336 PolarHBondContact OD1-OG1 2.89Å; D334-T336 PolarHBondContact OD2-OG1 3.1Å; D334-V337 HydrophobicContact CB-CG2 4.21Å; D334-V337 WeakPolarHBondContact O-CB 3.42Å; D334-V337 WeakPolarHBondContact O-CG2 3.37Å; D334-V337 PolarHBondContact O-N 3.42Å; D334-V337 VanDerWaalsContact O-N 3.16Å
335	P	93.8	Very high	94	Very high	74 Å²	74	45.3 Å²	45.3	48%	0.481	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.2	178.7	-25.3	35.4	0	0	0	113.3	I331 V337 K338	I331-P335 WeakPolarHBondContact O-CA 3.35Å; I331-P335 VanDerWaalsContact O-N 3.12Å; P335-V337 PolarHBondContact O-N 2.68Å; P335-V337 VanDerWaalsContact O-N 3.1Å; P335-K338 WeakPolarHBondContact O-CB 3.46Å; P335-K338 VanDerWaalsContact O-CG 3.28Å; P335-K338 WeakPolarHBondContact O-CG 3.5Å; P335-K338 PolarHBondContact O-N 3.32Å
336	T	94.3	Very high	94	Very high	73 Å²	73	44.4 Å²	44.4	45%	0.448	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.9	177.9	77.8	0	0	0	0	112	D334 K338 I339 S340	D334-T336 PolarHBondContact O-N 3.26Å; D334-T336 VanDerWaalsContact O-N 3.08Å; D334-T336 VanDerWaalsContact OD1-CB 3.29Å; D334-T336 WeakPolarHBondContact OD1-CB 3.38Å; D334-T336 WeakPolarHBondContact OD1-CG2 3.33Å; D334-T336 PolarHBondContact OD1-N 2.96Å; D334-T336 PolarHBondContact OD1-OG1 2.89Å; D334-T336 PolarHBondContact OD2-OG1 3.1Å; T336-K338 PolarHBondContact O-N 2.96Å; T336-I339 WeakPolarHBondContact O-CG1 3.45Å; T336-I339 PolarHBondContact O-N 3.33Å; T336-S340 WeakPolarHBondContact O-CB 3.17Å; T336-S340 PolarHBondContact O-N 3.43Å; T336-S340 PolarHBondContact O-OG 3.29Å
337	V	93.4	Very high	94	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-30.6	174.6	176.5	0	0	0	0	111.9	I331 D334 P335 I339 K341	I331-V337 HydrophobicContact CD1-CG1 4.49Å; I331-V337 HydrophobicContact CG1-CB 4.16Å; I331-V337 HydrophobicContact CG1-CG1 3.93Å; D334-V337 HydrophobicContact CB-CG2 4.21Å; D334-V337 WeakPolarHBondContact O-CB 3.42Å; D334-V337 WeakPolarHBondContact O-CG2 3.37Å; D334-V337 PolarHBondContact O-N 3.42Å; D334-V337 VanDerWaalsContact O-N 3.16Å; P335-V337 PolarHBondContact O-N 2.68Å; P335-V337 VanDerWaalsContact O-N 3.1Å; V337-I339 PolarHBondContact O-N 3.1Å; V337-K341 HydrophobicContact CG1-CG 3.96Å; V337-K341 WeakPolarHBondContact O-CG 3.48Å
338	K	93.4	Very high	94.1	Very high	17 Å²	17	59.5 Å²	59.5	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-32.8	179.7	-58.2	-172	-175.7	179.4	0	113	Y142 Y144 N145 E169 I331 P335 T336	Y142-K338 PolarHBondContact O-NZ 2.61Å; Y144-K338 HydrophobicContact CD1-CB 3.77Å; Y144-K338 HydrophobicContact CD1-CD 4.39Å; Y144-K338 HydrophobicContact CD1-CG 3.91Å; Y144-K338 HydrophobicContact CD2-CD 4.16Å; Y144-K338 HydrophobicContact CE1-CB 3.89Å; Y144-K338 HydrophobicContact CE1-CD 4.02Å; Y144-K338 HydrophobicContact CE1-CG 3.49Å; Y144-K338 VanDerWaalsContact CE1-CG 3.49Å; Y144-K338 HydrophobicContact CE2-CD 3.79Å; Y144-K338 HydrophobicContact CE2-CG 4.21Å; Y144-K338 HydrophobicContact CG-CB 4.23Å; Y144-K338 HydrophobicContact CG-CD 4.48Å; Y144-K338 HydrophobicContact CG-CG 4.43Å; N145-K338 PolarHBondContact N-O 2.7Å; E169-K338 WeakPolarHBondContact OE1-CE 3.15Å; E169-K338 IonicContact OE1-NZ 2.76Å; E169-K338 PolarHBondContact OE1-NZ 3.33Å; E169-K338 IonicContact OE2-NZ 3.12Å; E169-K338 PolarHBondContact OE2-NZ 2.77Å; I331-K338 HydrophobicContact CG2-CD 4.05Å; I331-K338 VanDerWaalsContact CG2-CE 3.43Å; I331-K338 HydrophobicContact CG2-CG 3.49Å; I331-K338 VanDerWaalsContact CG2-CG 3.49Å; P335-K338 WeakPolarHBondContact O-CB 3.46Å; P335-K338 VanDerWaalsContact O-CG 3.28Å; P335-K338 WeakPolarHBondContact O-CG 3.5Å; P335-K338 PolarHBondContact O-N 3.32Å; T336-K338 PolarHBondContact O-N 2.96Å
339	I	93.2	Very high	94.3	Very high	115 Å²	115	60.3 Å²	60.3	59%	0.59	30%	0.3	S	S	*	.	H	α-helix	trans	-113.8	-34.1	-170.8	57.6	173.1	0	0	0	113.5	N145 T336 V337	N145-I339 PolarHBondContact ND2-O 2.94Å; T336-I339 WeakPolarHBondContact O-CG1 3.45Å; T336-I339 PolarHBondContact O-N 3.33Å; V337-I339 PolarHBondContact O-N 3.1Å
340	S	91.3	Very high	94.4	Very high	56 Å²	56	60.7 Å²	60.7	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-82.8	-21.6	-168.2	63.3	0	0	0	0	114.6	T336	T336-S340 WeakPolarHBondContact O-CB 3.17Å; T336-S340 PolarHBondContact O-N 3.43Å; T336-S340 PolarHBondContact O-OG 3.29Å
341	K	92.2	Very high	94.6	Very high	50 Å²	50	64.7 Å²	64.7	22%	0.217	32%	0.323	C	S	.	.			trans	-88.5	134	-170.4	-56.7	-57.5	167.4	178.1	0	111.6	N145 F147 I148 S326 V337	N145-K341 PolarHBondContact ND2-O 2.96Å; F147-K341 WeakPolarHBondContact CD1-O 3.44Å; I148-K341 HydrophobicContact CD1-CB 3.79Å; I148-K341 HydrophobicContact CG1-CB 4.2Å; S326-K341 WeakPolarHBondContact O-CE 3.33Å; S326-K341 PolarHBondContact O-NZ 3.29Å; V337-K341 HydrophobicContact CG1-CG 3.96Å; V337-K341 WeakPolarHBondContact O-CG 3.48Å
342	T	93.9	Very high	94.7	Very high	59 Å²	59	67.2 Å²	67.2	36%	0.362	34%	0.336	S	S	.	.			trans	-120.1	167.6	176.9	70.4	0	0	0	0	111.6	S344 D345 I346	T342-S344 PolarHBondContact O-N 3.08Å; T342-S344 PolarHBondContact OG1-N 3.23Å; T342-S344 PolarHBondContact OG1-OG 3.01Å; T342-D345 WeakPolarHBondContact CB-OD2 3.38Å; T342-D345 PolarHBondContact N-OD2 3.16Å; T342-D345 WeakPolarHBondContact O-CB 3.11Å; T342-D345 PolarHBondContact O-N 2.57Å; T342-D345 PolarHBondContact OG1-N 3.32Å; T342-D345 PolarHBondContact OG1-OD2 2.95Å; T342-I346 PolarHBondContact O-N 3.18Å
343	E	94.7	Very high	95	Very high	58 Å²	58	66.5 Å²	66.5	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-53.5	-37.8	172.6	179.3	61.9	-167.5	0	0	112.1	F147 D345 I346 R347	F147-E343 HydrophobicContact CD2-CB 4.15Å; F147-E343 VanDerWaalsContact CE1-N 3.3Å; F147-E343 HydrophobicContact CE2-CB 3.54Å; F147-E343 HydrophobicContact CE2-CG 4.29Å; F147-E343 WeakPolarHBondContact CE2-OE2 3.34Å; F147-E343 HydrophobicContact CZ-CB 3.8Å; F147-E343 VanDerWaalsContact CZ-N 3.3Å; F147-E343 WeakPolarHBondContact CZ-OE2 3.46Å; E343-D345 VanDerWaalsContact C-N 3.32Å; E343-D345 PolarHBondContact O-N 3.04Å; E343-I346 PolarHBondContact O-N 2.85Å; E343-R347 WeakPolarHBondContact O-CG 3.35Å; E343-R347 PolarHBondContact O-N 3.27Å; E343-R347 IonicContact OE1-CZ 3.9Å; E343-R347 IonicContact OE1-NE 3.91Å; E343-R347 PolarHBondContact OE1-NE 3.32Å; E343-R347 IonicContact OE1-NH2 3.23Å; E343-R347 PolarHBondContact OE1-NH2 2.78Å
344	S	95.2	Very high	95.3	Very high	79 Å²	79	59.4 Å²	59.4	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-64.2	-36.4	178.3	76.2	0	0	0	0	112.6	T342 R348	T342-S344 PolarHBondContact O-N 3.08Å; T342-S344 PolarHBondContact OG1-N 3.23Å; T342-S344 PolarHBondContact OG1-OG 3.01Å; S344-R348 WeakPolarHBondContact O-CB 3.14Å; S344-R348 PolarHBondContact O-N 3.27Å
345	D	94.6	Very high	95.5	Very high	46 Å²	46	61.3 Å²	61.3	25%	0.246	31%	0.312	C	S	.	.	H	α-helix	trans	-69.1	-43.7	178.2	-63	-62.8	0	0	0	111.2	T342 E343 R347 R348 C349	T342-D345 WeakPolarHBondContact CB-OD2 3.38Å; T342-D345 PolarHBondContact N-OD2 3.16Å; T342-D345 WeakPolarHBondContact O-CB 3.11Å; T342-D345 PolarHBondContact O-N 2.57Å; T342-D345 PolarHBondContact OG1-N 3.32Å; T342-D345 PolarHBondContact OG1-OD2 2.95Å; E343-D345 VanDerWaalsContact C-N 3.32Å; E343-D345 PolarHBondContact O-N 3.04Å; D345-R347 VanDerWaalsContact C-N 3.35Å; D345-R348 PolarHBondContact O-N 3.5Å; D345-C349 WeakPolarHBondContact O-CB 3.43Å; D345-C349 PolarHBondContact O-N 3.17Å; D345-C349 PolarHBondContact O-SG 2.82Å
346	I	96	Very high	95.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-45.4	177.2	-54.9	-49.7	0	0	0	110.1	F147 T342 E343 R348 C349 S350 F382 E384 E385	F147-I346 HydrophobicContact CE1-CG1 4.02Å; F147-I346 HydrophobicContact CZ-CG1 4.05Å; T342-I346 PolarHBondContact O-N 3.18Å; E343-I346 PolarHBondContact O-N 2.85Å; I346-R348 PolarHBondContact O-N 2.82Å; I346-C349 PolarHBondContact O-N 2.84Å; I346-S350 WeakPolarHBondContact O-CB 3.46Å; I346-S350 PolarHBondContact O-N 3.33Å; I346-F382 HydrophobicContact CD1-CD2 3.78Å; I346-F382 HydrophobicContact CD1-CE2 3.85Å; I346-F382 HydrophobicContact CG1-CD2 4.34Å; I346-F382 HydrophobicContact CG1-CE2 4.45Å; I346-E384 HydrophobicContact CG2-CB 4.26Å; I346-E385 HydrophobicContact CG2-CG 4.22Å
347	R	96.7	Very high	95.9	Very high	149 Å²	149	54.7 Å²	54.7	56%	0.562	27%	0.27	S	S	*	.	H	α-helix	trans	-61.2	-44	176	-72.1	177.9	-173.7	-176.4	5.3	111.9	E343 D345 C349 S350 L351	E343-R347 WeakPolarHBondContact O-CG 3.35Å; E343-R347 PolarHBondContact O-N 3.27Å; E343-R347 IonicContact OE1-CZ 3.9Å; E343-R347 IonicContact OE1-NE 3.91Å; E343-R347 PolarHBondContact OE1-NE 3.32Å; E343-R347 IonicContact OE1-NH2 3.23Å; E343-R347 PolarHBondContact OE1-NH2 2.78Å; D345-R347 VanDerWaalsContact C-N 3.35Å; R347-C349 VanDerWaalsContact C-N 3.35Å; R347-C349 PolarHBondContact O-N 3.43Å; R347-S350 PolarHBondContact O-N 3.32Å; R347-L351 WeakPolarHBondContact O-CB 3.45Å; R347-L351 VanDerWaalsContact O-CG 3.31Å; R347-L351 WeakPolarHBondContact O-CG 3.41Å; R347-L351 PolarHBondContact O-N 3.37Å
348	R	97.1	Very high	96.1	Very high	178 Å²	178	55.5 Å²	55.5	67%	0.672	27%	0.274	S	S	*	.	H	α-helix	trans	-60.9	-44.7	177.2	-169.4	-178.9	79.1	153.3	1.2	111.4	S344 D345 I346 L351 L352	S344-R348 WeakPolarHBondContact O-CB 3.14Å; S344-R348 PolarHBondContact O-N 3.27Å; D345-R348 PolarHBondContact O-N 3.5Å; I346-R348 PolarHBondContact O-N 2.82Å; R348-L351 PolarHBondContact O-N 3.16Å; R348-L352 WeakPolarHBondContact O-CB 3.5Å; R348-L352 PolarHBondContact O-N 3.29Å
349	C	97.4	Very high	96.3	Very high	18 Å²	18	55.5 Å²	55.5	12%	0.122	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-49.5	176.8	-65.4	0	0	0	0	110.9	D345 I346 R347 L351 L352 Q353 E385	D345-C349 WeakPolarHBondContact O-CB 3.43Å; D345-C349 PolarHBondContact O-N 3.17Å; D345-C349 PolarHBondContact O-SG 2.82Å; I346-C349 PolarHBondContact O-N 2.84Å; R347-C349 VanDerWaalsContact C-N 3.35Å; R347-C349 PolarHBondContact O-N 3.43Å; C349-L351 VanDerWaalsContact C-N 3.35Å; C349-L351 PolarHBondContact O-N 3.24Å; C349-L352 PolarHBondContact O-N 2.95Å; C349-Q353 WeakPolarHBondContact O-CB 3.31Å; C349-Q353 VanDerWaalsContact O-CD 3.25Å; C349-Q353 WeakPolarHBondContact O-CG 3.29Å; C349-Q353 PolarHBondContact O-N 3.36Å; C349-Q353 PolarHBondContact O-OE1 2.93Å; C349-E385 HydrophobicContact CB-CG 4.48Å; C349-E385 WeakPolarHBondContact CB-OE1 3.18Å
350	S	97.9	Very high	96.5	Very high	7 Å²	7	50 Å²	50	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-44.3	177.7	-177.5	0	0	0	0	112.6	I346 R347 Q353 K354 E384	I346-S350 WeakPolarHBondContact O-CB 3.46Å; I346-S350 PolarHBondContact O-N 3.33Å; R347-S350 PolarHBondContact O-N 3.32Å; S350-Q353 PolarHBondContact O-N 3.42Å; S350-K354 WeakPolarHBondContact O-CB 3.1Å; S350-K354 WeakPolarHBondContact O-CD 3.39Å; S350-K354 VanDerWaalsContact O-CG 3.23Å; S350-K354 WeakPolarHBondContact O-CG 3.47Å; S350-K354 PolarHBondContact O-N 3.39Å; S350-K354 WeakPolarHBondContact OG-CE 3.3Å; S350-K354 PolarHBondContact OG-NZ 3.17Å; S350-K354 VanDerWaalsContact OG-NZ 3.16Å; S350-E384 WeakPolarHBondContact CB-O 3.23Å; S350-E384 PolarHBondContact OG-O 2.98Å
351	L	98	Very high	96.7	Very high	107 Å²	107	47.4 Å²	47.4	56%	0.56	23%	0.228	S	C	*	.	H	α-helix	trans	-63.6	-44.8	177.1	-72.4	173.6	0	0	0	112.1	R347 R348 C349 K354 Q355	R347-L351 WeakPolarHBondContact O-CB 3.45Å; R347-L351 VanDerWaalsContact O-CG 3.31Å; R347-L351 WeakPolarHBondContact O-CG 3.41Å; R347-L351 PolarHBondContact O-N 3.37Å; R348-L351 PolarHBondContact O-N 3.16Å; C349-L351 VanDerWaalsContact C-N 3.35Å; C349-L351 PolarHBondContact O-N 3.24Å; L351-K354 PolarHBondContact O-N 3.27Å; L351-Q355 WeakPolarHBondContact O-CG 3.18Å; L351-Q355 PolarHBondContact O-N 3.3Å; L351-Q355 VanDerWaalsContact O-N 3.15Å
352	L	97.9	Very high	96.9	Very high	54 Å²	54	45.3 Å²	45.3	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-46.6	176.8	177	59.6	0	0	0	111.1	R309 P324 R348 C349 K354 Q355 L356	R309-L352 HydrophobicContact CG-CD1 4.28Å; P324-L352 HydrophobicContact CG-CD2 3.76Å; P324-L352 HydrophobicContact CG-CG 4.43Å; R348-L352 WeakPolarHBondContact O-CB 3.5Å; R348-L352 PolarHBondContact O-N 3.29Å; C349-L352 PolarHBondContact O-N 2.95Å; L352-K354 VanDerWaalsContact C-N 3.33Å; L352-K354 PolarHBondContact O-N 2.94Å; L352-Q355 PolarHBondContact O-N 3.36Å; L352-Q355 VanDerWaalsContact O-N 3.16Å; L352-L356 HydrophobicContact CD1-CD1 4.01Å; L352-L356 HydrophobicContact CD1-CG 4.04Å; L352-L356 HydrophobicContact CD2-CD1 4.48Å; L352-L356 HydrophobicContact CG-CD1 3.81Å; L352-L356 HydrophobicContact CG-CG 4.29Å; L352-L356 WeakPolarHBondContact O-CB 3.43Å; L352-L356 VanDerWaalsContact O-CG 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.12Å; L352-L356 PolarHBondContact O-N 3.38Å
353	Q	98.6	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-43.3	177.9	-72.3	158.6	-2.2	0	0	111.7	A323 P324 C349 S350 Q355 L356 L357 Y376 E385 V389	A323-Q353 HydrophobicContact CB-CG 3.8Å; P324-Q353 PolarHBondContact O-NE2 2.81Å; C349-Q353 WeakPolarHBondContact O-CB 3.31Å; C349-Q353 VanDerWaalsContact O-CD 3.25Å; C349-Q353 WeakPolarHBondContact O-CG 3.29Å; C349-Q353 PolarHBondContact O-N 3.36Å; C349-Q353 PolarHBondContact O-OE1 2.93Å; S350-Q353 PolarHBondContact O-N 3.42Å; Q353-Q355 PolarHBondContact O-N 3.1Å; Q353-L356 PolarHBondContact O-N 3.46Å; Q353-L357 WeakPolarHBondContact O-CB 3.33Å; Q353-L357 PolarHBondContact O-N 2.55Å; Q353-Y376 HydrophobicContact CB-CE2 4.45Å; Q353-Y376 WeakPolarHBondContact CB-OH 3.42Å; Q353-Y376 WeakPolarHBondContact CG-OH 3.28Å; Q353-E385 PolarHBondContact NE2-OE1 2.94Å; Q353-E385 VanDerWaalsContact OE1-CB 3.25Å; Q353-E385 PolarHBondContact OE1-O 3.27Å; Q353-V389 HydrophobicContact CB-CG1 4.08Å; Q353-V389 HydrophobicContact CB-CG2 4.15Å
354	K	98.5	Very high	97.1	Very high	43 Å²	43	40 Å²	40	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-45.7	174.4	-74.7	166.7	-175.8	161.2	0	112	S350 L351 L352 L357 L358 V389 Y392	S350-K354 WeakPolarHBondContact O-CB 3.1Å; S350-K354 WeakPolarHBondContact O-CD 3.39Å; S350-K354 VanDerWaalsContact O-CG 3.23Å; S350-K354 WeakPolarHBondContact O-CG 3.47Å; S350-K354 PolarHBondContact O-N 3.39Å; S350-K354 WeakPolarHBondContact OG-CE 3.3Å; S350-K354 PolarHBondContact OG-NZ 3.17Å; S350-K354 VanDerWaalsContact OG-NZ 3.16Å; L351-K354 PolarHBondContact O-N 3.27Å; L352-K354 VanDerWaalsContact C-N 3.33Å; L352-K354 PolarHBondContact O-N 2.94Å; K354-L357 PolarHBondContact O-N 3.47Å; K354-L358 WeakPolarHBondContact O-CG 3.3Å; K354-L358 PolarHBondContact O-N 3.35Å; K354-L358 VanDerWaalsContact O-N 3.07Å; K354-V389 HydrophobicContact CG-CB 4.42Å; K354-V389 HydrophobicContact CG-CG1 4.06Å; K354-V389 HydrophobicContact CG-CG2 4.23Å; K354-Y392 HydrophobicContact CB-CD1 3.8Å; K354-Y392 HydrophobicContact CB-CE1 3.73Å; K354-Y392 HydrophobicContact CD-CD1 4Å; K354-Y392 HydrophobicContact CD-CD2 4.29Å; K354-Y392 HydrophobicContact CD-CE1 4.3Å; K354-Y392 HydrophobicContact CD-CG 3.98Å; K354-Y392 HydrophobicContact CG-CD1 3.61Å; K354-Y392 HydrophobicContact CG-CE1 4.02Å; K354-Y392 HydrophobicContact CG-CG 4.01Å
355	Q	97.7	Very high	97.2	Very high	101 Å²	101	38.2 Å²	38.2	47%	0.472	18%	0.175	S	C	.	.	H	α-helix	trans	-64.9	-45.9	178.4	-68.8	174.4	-1.8	0	0	111.9	R309 L351 L352 Q353 N359	R309-Q355 HydrophobicContact CG-CB 4.05Å; L351-Q355 WeakPolarHBondContact O-CG 3.18Å; L351-Q355 PolarHBondContact O-N 3.3Å; L351-Q355 VanDerWaalsContact O-N 3.15Å; L352-Q355 PolarHBondContact O-N 3.36Å; L352-Q355 VanDerWaalsContact O-N 3.16Å; Q353-Q355 PolarHBondContact O-N 3.1Å; Q355-N359 PolarHBondContact O-N 2.95Å
356	L	98.1	Very high	97.2	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-45.7	177	-71.1	173.2	0	0	0	111	M255 R309 L321 P324 L352 Q353 N359 A360	M255-L356 HydrophobicContact CE-CB 3.49Å; M255-L356 VanDerWaalsContact CE-CB 3.49Å; M255-L356 HydrophobicContact CE-CD2 3.44Å; M255-L356 VanDerWaalsContact CE-CD2 3.44Å; M255-L356 HydrophobicContact CE-CG 4.01Å; M255-L356 VanDerWaalsContact CE-O 3.28Å; M255-L356 WeakPolarHBondContact CE-O 3.39Å; R309-L356 HydrophobicContact CG-CD2 3.79Å; R309-L356 HydrophobicContact CG-CG 4.27Å; L321-L356 HydrophobicContact CD1-CB 4.16Å; L321-L356 HydrophobicContact CD1-CD1 4.48Å; L321-L356 HydrophobicContact CD2-CB 3.88Å; P324-L356 HydrophobicContact CG-CD1 3.96Å; L352-L356 HydrophobicContact CD1-CD1 4.01Å; L352-L356 HydrophobicContact CD1-CG 4.04Å; L352-L356 HydrophobicContact CD2-CD1 4.48Å; L352-L356 HydrophobicContact CG-CD1 3.81Å; L352-L356 HydrophobicContact CG-CG 4.29Å; L352-L356 WeakPolarHBondContact O-CB 3.43Å; L352-L356 VanDerWaalsContact O-CG 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.12Å; L352-L356 PolarHBondContact O-N 3.38Å; Q353-L356 PolarHBondContact O-N 3.46Å; L356-N359 PolarHBondContact O-N 2.68Å; L356-A360 WeakPolarHBondContact O-CB 3.44Å; L356-A360 PolarHBondContact O-N 3.16Å
357	L	98.3	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-46	-178.7	179	58.1	0	0	0	112	L321 Q353 K354 N359 A360 I361 L374 Y376 V389 I390 A393 L446	L321-L357 VanDerWaalsContact CD2-CA 3.47Å; L321-L357 HydrophobicContact CD2-CB 3.99Å; L321-L357 HydrophobicContact CD2-CD1 4.28Å; Q353-L357 WeakPolarHBondContact O-CB 3.33Å; Q353-L357 PolarHBondContact O-N 2.55Å; K354-L357 PolarHBondContact O-N 3.47Å; L357-N359 VanDerWaalsContact C-N 3.29Å; L357-N359 PolarHBondContact O-N 3.31Å; L357-A360 PolarHBondContact O-N 2.88Å; L357-I361 HydrophobicContact CD1-CD1 4.21Å; L357-I361 HydrophobicContact CD1-CG1 4.29Å; L357-I361 HydrophobicContact CG-CD1 4.13Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.37Å; L357-I361 PolarHBondContact O-N 3.21Å; L357-L374 HydrophobicContact CD1-CD2 3.59Å; L357-L374 HydrophobicContact CD1-CG 4.48Å; L357-Y376 HydrophobicContact CB-CD2 4.5Å; L357-Y376 HydrophobicContact CD1-CD2 4.03Å; L357-Y376 HydrophobicContact CD1-CG 4.38Å; L357-Y376 HydrophobicContact CD2-CD2 4.4Å; L357-V389 HydrophobicContact CB-CG1 4.39Å; L357-V389 HydrophobicContact CD2-CG1 3.68Å; L357-I390 HydrophobicContact CD2-CD1 3.86Å; L357-A393 HydrophobicContact CD2-CB 3.51Å; L357-A393 HydrophobicContact CG-CB 3.94Å; L357-L446 HydrophobicContact CD1-CD1 4.13Å
358	L	97.3	Very high	97.1	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-41.6	176.5	-70.2	-175.9	0	0	0	111.9	K354 D362 Y392 A393 R396 R397	K354-L358 WeakPolarHBondContact O-CG 3.3Å; K354-L358 PolarHBondContact O-N 3.35Å; K354-L358 VanDerWaalsContact O-N 3.07Å; L358-D362 VanDerWaalsContact O-CG 3.24Å; L358-D362 PolarHBondContact O-N 3.28Å; L358-D362 VanDerWaalsContact O-N 3.08Å; L358-Y392 HydrophobicContact CD1-CE1 3.72Å; L358-Y392 HydrophobicContact CD2-CE1 4.43Å; L358-Y392 HydrophobicContact CG-CE1 4.11Å; L358-A393 HydrophobicContact CD2-CB 4.41Å; L358-R396 HydrophobicContact CD2-CB 3.9Å; L358-R397 HydrophobicContact CD2-CG 3.8Å
359	N	96.7	Very high	96.8	Very high	16 Å²	16	37.8 Å²	37.8	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-72.3	-36.4	178.4	-166.9	50.8	0	0	0	112.6	G308 F311 Q355 L356 L357 D362 Q363	G308-N359 PolarHBondContact O-ND2 3.39Å; F311-N359 PolarHBondContact N-ND2 3.18Å; F311-N359 VanDerWaalsContact N-ND2 3.19Å; F311-N359 PolarHBondContact O-ND2 3.05Å; F311-N359 PolarHBondContact O-OD1 2.73Å; Q355-N359 PolarHBondContact O-N 2.95Å; L356-N359 PolarHBondContact O-N 2.68Å; L357-N359 VanDerWaalsContact C-N 3.29Å; L357-N359 PolarHBondContact O-N 3.31Å; N359-D362 WeakPolarHBondContact O-CA 3.31Å; N359-D362 WeakPolarHBondContact O-CB 3.38Å; N359-D362 PolarHBondContact O-N 2.89Å; N359-D362 VanDerWaalsContact O-N 3.09Å; N359-Q363 WeakPolarHBondContact O-CG 3.44Å; N359-Q363 PolarHBondContact O-N 3.13Å; N359-Q363 PolarHBondContact O-NE2 3.49Å; N359-Q363 PolarHBondContact OD1-NE2 3.15Å
360	A	97.7	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-45.2	173.8	0	0	0	0	0	111.3	M255 V319 L321 L356 L357 D362 Q363 V364 L374	M255-A360 HydrophobicContact CE-CB 4.18Å; M255-A360 HydrophobicContact SD-CB 3.97Å; V319-A360 HydrophobicContact CG1-CB 3.98Å; L321-A360 HydrophobicContact CB-CB 4.36Å; L321-A360 HydrophobicContact CD2-CB 4.03Å; L356-A360 WeakPolarHBondContact O-CB 3.44Å; L356-A360 PolarHBondContact O-N 3.16Å; L357-A360 PolarHBondContact O-N 2.88Å; A360-D362 VanDerWaalsContact C-N 3.27Å; A360-D362 PolarHBondContact O-N 3.4Å; A360-Q363 PolarHBondContact O-N 3.3Å; A360-Q363 VanDerWaalsContact O-N 3.07Å; A360-V364 PolarHBondContact O-N 2.68Å; A360-L374 HydrophobicContact CB-CD1 3.86Å; A360-L374 HydrophobicContact CB-CD2 3.99Å
361	I	97.1	Very high	96.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-42.8	172.4	-66.9	166.2	0	0	0	110.4	L357 Q363 V364 L374 A393 R397 V399 L446 K448	L357-I361 HydrophobicContact CD1-CD1 4.21Å; L357-I361 HydrophobicContact CD1-CG1 4.29Å; L357-I361 HydrophobicContact CG-CD1 4.13Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.37Å; L357-I361 PolarHBondContact O-N 3.21Å; I361-Q363 PolarHBondContact O-N 3.27Å; I361-V364 PolarHBondContact O-N 2.9Å; I361-L374 HydrophobicContact CB-CD2 4.29Å; I361-L374 HydrophobicContact CD1-CD2 4.42Å; I361-L374 HydrophobicContact CG1-CD2 3.35Å; I361-A393 HydrophobicContact CD1-CB 3.81Å; I361-R397 HydrophobicContact CB-CG 4.36Å; I361-R397 HydrophobicContact CD1-CB 4.17Å; I361-R397 HydrophobicContact CD1-CG 4.2Å; I361-R397 HydrophobicContact CG2-CB 3.81Å; I361-R397 HydrophobicContact CG2-CG 3.87Å; I361-V399 HydrophobicContact CB-CG1 4.44Å; I361-V399 HydrophobicContact CD1-CG1 4.06Å; I361-V399 HydrophobicContact CD1-CG2 4.16Å; I361-V399 HydrophobicContact CG1-CG1 4.12Å; I361-V399 HydrophobicContact CG2-CG1 3.46Å; I361-V399 VanDerWaalsContact CG2-CG1 3.46Å; I361-L446 HydrophobicContact CD1-CD1 4.26Å; I361-K448 HydrophobicContact CG2-CD 4.33Å; I361-K448 WeakPolarHBondContact O-CD 3.37Å; I361-K448 WeakPolarHBondContact O-CE 3.44Å; I361-K448 PolarHBondContact O-NZ 3.49Å
362	D	95.6	Very high	96.2	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-28.8	179	-71.3	-19.2	0	0	0	112	K315 L358 N359 A360 R397 K448 K453	K315-D362 PolarHBondContact NZ-O 3.01Å; L358-D362 VanDerWaalsContact O-CG 3.24Å; L358-D362 PolarHBondContact O-N 3.28Å; L358-D362 VanDerWaalsContact O-N 3.08Å; N359-D362 WeakPolarHBondContact O-CA 3.31Å; N359-D362 WeakPolarHBondContact O-CB 3.38Å; N359-D362 PolarHBondContact O-N 2.89Å; N359-D362 VanDerWaalsContact O-N 3.09Å; A360-D362 VanDerWaalsContact C-N 3.27Å; A360-D362 PolarHBondContact O-N 3.4Å; D362-R397 IonicContact OD1-CZ 2.68Å; D362-R397 IonicContact OD1-NE 2.7Å; D362-R397 PolarHBondContact OD1-NE 3.03Å; D362-R397 IonicContact OD1-NH2 2.96Å; D362-R397 IonicContact OD2-CZ 3.59Å; D362-R397 IonicContact OD2-NE 2.75Å; D362-R397 IonicContact OD2-NH2 3.57Å; D362-R397 PolarHBondContact OD2-NH2 3.26Å; D362-K448 PolarHBondContact O-NZ 3.24Å; D362-K453 VanDerWaalsContact CG-CE 3.42Å; D362-K453 WeakPolarHBondContact OD2-CE 3.26Å; D362-K453 IonicContact OD2-NZ 3.3Å; D362-K453 PolarHBondContact OD2-NZ 2.94Å
363	Q	96.1	Very high	96.2	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-79.8	-19	178.5	-58.5	-35.7	-71.6	0	0	114.5	L253 F311 I314 K315 F316 V319 N359 A360 I361	L253-Q363 HydrophobicContact CD2-CB 4.3Å; L253-Q363 HydrophobicContact CD2-CG 4.19Å; F311-Q363 HydrophobicContact CD1-CG 4.02Å; F311-Q363 PolarHBondContact O-NE2 2.96Å; F311-Q363 PolarHBondContact O-OE1 3.29Å; I314-Q363 PolarHBondContact O-OE1 3.44Å; K315-Q363 VanDerWaalsContact CA-O 3.31Å; K315-Q363 WeakPolarHBondContact CA-O 3.17Å; F316-Q363 HydrophobicContact CD2-CB 4.05Å; F316-Q363 HydrophobicContact CE2-CB 4.47Å; F316-Q363 PolarHBondContact N-O 3.41Å; V319-Q363 HydrophobicContact CG2-CB 4.19Å; N359-Q363 WeakPolarHBondContact O-CG 3.44Å; N359-Q363 PolarHBondContact O-N 3.13Å; N359-Q363 PolarHBondContact O-NE2 3.49Å; N359-Q363 PolarHBondContact OD1-NE2 3.15Å; A360-Q363 PolarHBondContact O-N 3.3Å; A360-Q363 VanDerWaalsContact O-N 3.07Å; I361-Q363 PolarHBondContact O-N 3.27Å
364	V	97.4	Very high	96.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-70.4	136.5	177.1	177.9	0	0	0	0	110.6	F316 V319 A360 I361 G372 L374 K448 N451	F316-V364 CarbonylContact O-C 3.56Å; F316-V364 WeakPolarHBondContact O-CA 3.37Å; V319-V364 HydrophobicContact CB-CG2 3.9Å; V319-V364 HydrophobicContact CG2-CG2 3.54Å; A360-V364 PolarHBondContact O-N 2.68Å; I361-V364 PolarHBondContact O-N 2.9Å; V364-G372 VanDerWaalsContact CG1-C 3.44Å; V364-L374 HydrophobicContact CG2-CB 3.93Å; V364-K448 HydrophobicContact CB-CB 4.34Å; V364-K448 HydrophobicContact CB-CD 3.8Å; V364-K448 HydrophobicContact CG1-CB 3.88Å; V364-K448 HydrophobicContact CG1-CD 4.05Å; V364-K448 VanDerWaalsContact O-CD 3.3Å; V364-K448 WeakPolarHBondContact O-CD 3.48Å; V364-K448 WeakPolarHBondContact O-CE 3.07Å; V364-K448 PolarHBondContact O-NZ 3.04Å; V364-N451 PolarHBondContact O-OD1 3Å
365	N	96.7	Very high	96.2	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	17%	0.168	C	C	.	.			trans	-85.8	108.5	168.9	-175.2	10.4	0	0	0	110.4	K315 F316 N367 S368 G372 N451	K315-N365 HydrophobicContact CB-CB 4.05Å; F316-N365 PolarHBondContact O-N 3.47Å; N365-N367 PolarHBondContact O-N 3.45Å; N365-N367 PolarHBondContact OD1-N 2.87Å; N365-N367 VanDerWaalsContact OD1-N 3.08Å; N365-S368 WeakPolarHBondContact O-CB 3.42Å; N365-S368 PolarHBondContact O-N 2.88Å; N365-G372 WeakPolarHBondContact O-CA 3.29Å; N365-N451 PolarHBondContact OD1-ND2 2.88Å
366	A	95.4	Very high	96.3	Very high	17 Å²	17	28.6 Å²	28.6	14%	0.14	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.5	177.2	0	0	0	0	0	113.4	S368 K448 N451	A366-S368 VanDerWaalsContact C-N 3.32Å; A366-K448 HydrophobicContact CB-CB 4.37Å; A366-K448 HydrophobicContact CB-CD 4.23Å; A366-K448 HydrophobicContact CB-CG 4Å; A366-N451 WeakPolarHBondContact CB-OD1 3.48Å; A366-N451 PolarHBondContact N-OD1 3.1Å
367	N	95.2	Very high	96.3	Very high	127 Å²	127	28.2 Å²	28.2	68%	0.679	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	7.1	-177.7	-60	-15.8	0	0	0	112.8	N365 K369 N451	N365-N367 PolarHBondContact O-N 3.45Å; N365-N367 PolarHBondContact OD1-N 2.87Å; N365-N367 VanDerWaalsContact OD1-N 3.08Å; N367-K369 PolarHBondContact O-N 3.47Å; N367-N451 PolarHBondContact ND2-ND2 3.18Å
368	S	94.5	Very high	96.2	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.084	14%	0.143	C	C	.	.			trans	-64.9	126.5	175.7	-179.8	0	0	0	0	110	D317 N365 A366 T370 G371	D317-S368 WeakPolarHBondContact CB-OG 3.33Å; D317-S368 WeakPolarHBondContact OD1-CB 3.44Å; D317-S368 PolarHBondContact OD1-OG 2.95Å; N365-S368 WeakPolarHBondContact O-CB 3.42Å; N365-S368 PolarHBondContact O-N 2.88Å; A366-S368 VanDerWaalsContact C-N 3.32Å; S368-T370 VanDerWaalsContact C-N 3.33Å; S368-T370 PolarHBondContact O-N 2.59Å; S368-G371 WeakPolarHBondContact OG-CA 3.28Å; S368-G371 PolarHBondContact OG-N 3.26Å
369	K	90.7	Very high	96.2	Very high	210 Å²	210	28.9 Å²	28.9	91%	0.913	15%	0.149	S	C	*	.	S	Bend	trans	-65.2	-37.7	-178.8	-68.2	-176.4	178.1	-178	0	112.1	N367	N367-K369 PolarHBondContact O-N 3.47Å
370	T	91.7	Very high	96.2	Very high	80 Å²	80	28.2 Å²	28.2	49%	0.491	15%	0.146	S	C	.	.	S	Bend	trans	-99.6	-27	-178.4	57.5	0	0	0	0	112.1	E250 R318 S368	E250-T370 WeakPolarHBondContact OE1-CB 3.33Å; E250-T370 PolarHBondContact OE1-OG1 2.76Å; R318-T370 PolarHBondContact NH2-O 3.27Å; S368-T370 VanDerWaalsContact C-N 3.33Å; S368-T370 PolarHBondContact O-N 2.59Å
371	G	92.2	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.			trans	-108.5	-131.2	-172.4	0	0	0	0	0	114.7	D317 S368 Y373 K447	D317-G371 CarbonylContact O-C 3.52Å; D317-G371 WeakPolarHBondContact O-CA 3.35Å; S368-G371 WeakPolarHBondContact OG-CA 3.28Å; S368-G371 PolarHBondContact OG-N 3.26Å; G371-Y373 VanDerWaalsContact O-CD2 3.31Å; G371-Y373 WeakPolarHBondContact O-CD2 3.22Å; G371-Y373 VanDerWaalsContact O-CE2 3.23Å; G371-Y373 WeakPolarHBondContact O-CE2 3.35Å; G371-K447 PolarHBondContact O-NZ 3.11Å
372	G	96.5	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.			trans	83.6	23.5	-170.5	0	0	0	0	0	112.8	D317 V364 N365 K447 K448	D317-G372 PolarHBondContact O-N 2.72Å; V364-G372 VanDerWaalsContact CG1-C 3.44Å; N365-G372 WeakPolarHBondContact O-CA 3.29Å; G372-K447 WeakPolarHBondContact O-CA 3.32Å; G372-K448 PolarHBondContact O-N 2.96Å
373	Y	98.4	Very high	96.3	Very high	54 Å²	54	28.1 Å²	28.1	21%	0.212	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.7	-175.1	-63.3	-79.4	0	0	0	112.7	D317 R318 V319 G371 V402 K445 L446 K447	D317-Y373 PolarHBondContact O-N 2.95Å; R318-Y373 VanDerWaalsContact CA-O 3.28Å; R318-Y373 WeakPolarHBondContact CA-O 3.32Å; V319-Y373 PolarHBondContact N-O 2.95Å; G371-Y373 VanDerWaalsContact O-CD2 3.31Å; G371-Y373 WeakPolarHBondContact O-CD2 3.22Å; G371-Y373 VanDerWaalsContact O-CE2 3.23Å; G371-Y373 WeakPolarHBondContact O-CE2 3.35Å; Y373-V402 HydrophobicContact CD1-CG2 4.26Å; Y373-V402 HydrophobicContact CE1-CG2 4.12Å; Y373-K445 HydrophobicContact CD1-CG 4.38Å; Y373-L446 CarbonylContact C-O 3.54Å; Y373-L446 VanDerWaalsContact CA-O 3.31Å; Y373-L446 WeakPolarHBondContact CA-O 3.35Å; Y373-K447 HydrophobicContact CD1-CB 4.21Å; Y373-K447 HydrophobicContact CD1-CD 3.75Å; Y373-K447 HydrophobicContact CE1-CB 4.06Å; Y373-K447 HydrophobicContact CE1-CD 3.2Å; Y373-K447 HydrophobicContact CE1-CG 4.22Å; Y373-K447 HydrophobicContact CE2-CD 4.05Å; Y373-K447 HydrophobicContact CG-CD 4.38Å; Y373-K447 VanDerWaalsContact CZ-NZ 3.26Å; Y373-K447 PolarHBondContact OH-NZ 3.42Å
374	L	98.4	Very high	96.3	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.2	168.5	165.7	65.6	0	0	0	108.4	V319 L321 L357 A360 I361 V364 L446	V319-L374 HydrophobicContact CB-CD1 3.74Å; V319-L374 HydrophobicContact CG1-CD1 3.67Å; V319-L374 CarbonylContact O-C 3.56Å; V319-L374 VanDerWaalsContact O-CA 3.27Å; V319-L374 WeakPolarHBondContact O-CA 3.43Å; V319-L374 VanDerWaalsContact O-CD1 3.31Å; V319-L374 WeakPolarHBondContact O-CD1 3.13Å; L321-L374 HydrophobicContact CB-CD1 4.16Å; L357-L374 HydrophobicContact CD1-CD2 3.59Å; L357-L374 HydrophobicContact CD1-CG 4.48Å; A360-L374 HydrophobicContact CB-CD1 3.86Å; A360-L374 HydrophobicContact CB-CD2 3.99Å; I361-L374 HydrophobicContact CB-CD2 4.29Å; I361-L374 HydrophobicContact CD1-CD2 4.42Å; I361-L374 HydrophobicContact CG1-CD2 3.35Å; V364-L374 HydrophobicContact CG2-CB 3.93Å; L374-L446 HydrophobicContact CB-CB 4.39Å; L374-L446 HydrophobicContact CD2-CD1 4.25Å; L374-L446 PolarHBondContact N-O 3.11Å; L374-L446 PolarHBondContact O-N 3.08Å
375	V	98.8	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.7	165.7	173.4	0	0	0	0	109.3	P240 A243 L244 V319 L320 L321 V443 A444 K445	P240-V375 HydrophobicContact CB-CG1 3.99Å; A243-V375 HydrophobicContact CB-CG1 4.41Å; A243-V375 HydrophobicContact CB-CG2 4.09Å; L244-V375 HydrophobicContact CB-CB 4.46Å; L244-V375 HydrophobicContact CB-CG2 3.98Å; L244-V375 HydrophobicContact CD1-CB 4.09Å; L244-V375 HydrophobicContact CD1-CG2 3.88Å; V319-V375 PolarHBondContact O-N 3.47Å; L320-V375 HydrophobicContact CD1-CB 3.94Å; L320-V375 HydrophobicContact CD1-CG1 3.93Å; L321-V375 PolarHBondContact N-O 2.89Å; V375-V443 HydrophobicContact CG1-CG1 3.84Å; V375-A444 WeakPolarHBondContact CA-O 3.37Å; V375-K445 HydrophobicContact CG2-CB 4.3Å; V375-K445 HydrophobicContact CG2-CG 4.06Å
376	Y	98.8	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.9	169.4	176	-96.5	0	0	0	108.8	L321 A323 Q353 L357 T378 E385 V389 I390 F442 A444	L321-Y376 HydrophobicContact CB-CD2 4.43Å; L321-Y376 HydrophobicContact CD2-CD2 3.8Å; L321-Y376 HydrophobicContact CD2-CE2 4.14Å; L321-Y376 HydrophobicContact CG-CD2 3.94Å; L321-Y376 HydrophobicContact CG-CE2 4.33Å; L321-Y376 WeakPolarHBondContact O-CA 3.29Å; A323-Y376 HydrophobicContact CB-CD2 4.46Å; A323-Y376 HydrophobicContact CB-CE2 3.63Å; Q353-Y376 HydrophobicContact CB-CE2 4.45Å; Q353-Y376 WeakPolarHBondContact CB-OH 3.42Å; Q353-Y376 WeakPolarHBondContact CG-OH 3.28Å; L357-Y376 HydrophobicContact CB-CD2 4.5Å; L357-Y376 HydrophobicContact CD1-CD2 4.03Å; L357-Y376 HydrophobicContact CD1-CG 4.38Å; L357-Y376 HydrophobicContact CD2-CD2 4.4Å; Y376-T378 HydrophobicContact CE1-CG2 3.55Å; Y376-T378 HydrophobicContact CE2-CG2 4.45Å; Y376-T378 VanDerWaalsContact CZ-CG2 3.48Å; Y376-T378 WeakPolarHBondContact OH-CG2 3.46Å; Y376-E385 PolarHBondContact OH-O 2.97Å; Y376-V389 HydrophobicContact CE2-CG1 4.23Å; Y376-I390 HydrophobicContact CD1-CD1 3.58Å; Y376-I390 HydrophobicContact CD1-CG1 4.27Å; Y376-I390 HydrophobicContact CE1-CD1 4.31Å; Y376-I390 HydrophobicContact CG-CD1 3.84Å; Y376-F442 HydrophobicContact CD1-CD1 4.13Å; Y376-F442 HydrophobicContact CD1-CE1 4.04Å; Y376-F442 HydrophobicContact CE1-CD1 4.15Å; Y376-F442 HydrophobicContact CE1-CE1 4.23Å; Y376-A444 PolarHBondContact N-O 3.03Å; Y376-A444 PolarHBondContact O-N 3.28Å
377	S	98.4	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.4	173.4	59.3	0	0	0	0	113.3	P240 L321 D322 A323 F442	P240-S377 VanDerWaalsContact CG-OG 3.31Å; P240-S377 WeakPolarHBondContact CG-OG 3.37Å; L321-S377 PolarHBondContact O-N 3.36Å; D322-S377 WeakPolarHBondContact CA-OG 3.25Å; D322-S377 PolarHBondContact OD1-OG 2.91Å; A323-S377 PolarHBondContact N-O 3.45Å; S377-F442 WeakPolarHBondContact CA-O 3.27Å; S377-F442 VanDerWaalsContact CB-O 3.22Å; S377-F442 WeakPolarHBondContact CB-O 3.17Å
378	T	98	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.2	170.8	77.7	0	0	0	0	110.4	C325 Y376 S380 N386 F441 F442	C325-T378 HydrophobicContact CB-CG2 4.49Å; Y376-T378 HydrophobicContact CE1-CG2 3.55Å; Y376-T378 HydrophobicContact CE2-CG2 4.45Å; Y376-T378 VanDerWaalsContact CZ-CG2 3.48Å; Y376-T378 WeakPolarHBondContact OH-CG2 3.46Å; T378-S380 PolarHBondContact O-N 3.24Å; T378-S380 PolarHBondContact OG1-N 2.89Å; T378-S380 VanDerWaalsContact OG1-N 3.13Å; T378-S380 PolarHBondContact OG1-O 3.14Å; T378-N386 PolarHBondContact OG1-OD1 3.27Å; T378-F441 WeakPolarHBondContact O-CA 3.34Å; T378-F441 VanDerWaalsContact O-CD2 3.28Å; T378-F441 WeakPolarHBondContact O-CD2 3.48Å; T378-F441 WeakPolarHBondContact O-CE2 3.33Å; T378-F441 WeakPolarHBondContact O-CG 3.34Å; T378-F442 PolarHBondContact N-O 2.99Å; T378-F442 VanDerWaalsContact N-O 3.16Å; T378-F442 PolarHBondContact O-N 2.69Å
379	C	96.6	Very high	96.9	Very high	33 Å²	33	21.3 Å²	21.3	22%	0.223	11%	0.106	C	C	.	.	S	Bend	trans	-85.9	22	165.4	43.5	0	0	0	0	113	C325 G327 G329 V330 F441	C325-C379 WeakPolarHBondContact CB-SG 3.33Å; C325-C379 WeakPolarHBondContact SG-CA 3.18Å; C325-C379 WeakPolarHBondContact SG-CB 3.27Å; C325-C379 PolarHBondContact SG-N 3.37Å; C325-C379 VanDerWaalsContact SG-N 3.41Å; C325-C379 PolarHBondContact SG-O 3.11Å; C325-C379 CovalentContact SG-SG 2.08Å; C325-C379 PolarHBondContact SG-SG 3.34Å; G327-C379 CarbonylContact C-O 3.55Å; G329-C379 WeakPolarHBondContact CA-O 3.38Å; G329-C379 PolarHBondContact N-O 3.36Å; V330-C379 HydrophobicContact CG1-CB 4.21Å; C379-F441 HydrophobicContact CB-CD2 4.46Å; C379-F441 HydrophobicContact CB-CE2 4.33Å
380	S	97.1	Very high	97.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.062	C	C	.	.			trans	-112	145.5	-175.1	-177.8	0	0	0	0	110.8	C325 S326 S328 T378 F382 E385 N386	C325-S380 PolarHBondContact SG-N 3Å; S326-S380 PolarHBondContact OG-OG 3.06Å; S328-S380 VanDerWaalsContact OG-CA 3.3Å; S328-S380 WeakPolarHBondContact OG-CA 3.29Å; S328-S380 PolarHBondContact OG-OG 3.09Å; T378-S380 PolarHBondContact O-N 3.24Å; T378-S380 PolarHBondContact OG1-N 2.89Å; T378-S380 VanDerWaalsContact OG1-N 3.13Å; T378-S380 PolarHBondContact OG1-O 3.14Å; S380-F382 PolarHBondContact OG-N 3.02Å; S380-F382 VanDerWaalsContact OG-N 3.1Å; S380-E385 WeakPolarHBondContact CB-OE2 3.42Å; S380-E385 PolarHBondContact OG-OE2 3.48Å; S380-N386 PolarHBondContact O-ND2 3.37Å
381	V	96.9	Very high	97.5	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.012	4%	0.042	C	C	.	.			trans	-97.6	-0.4	170.5	-62.1	0	0	0	0	112.3	F152 L155 F164 S328 R430 Y432	F152-V381 HydrophobicContact CD1-CG2 4.48Å; F152-V381 HydrophobicContact CE1-CG2 3.76Å; L155-V381 HydrophobicContact CD2-CB 4.17Å; L155-V381 HydrophobicContact CD2-CG2 4.11Å; L155-V381 VanDerWaalsContact CD2-O 3.27Å; L155-V381 WeakPolarHBondContact CD2-O 3.5Å; F164-V381 HydrophobicContact CE2-CG1 4.34Å; F164-V381 HydrophobicContact CZ-CG2 4.2Å; S328-V381 PolarHBondContact OG-N 3.28Å; V381-R430 PolarHBondContact O-NH2 3.03Å; V381-Y432 HydrophobicContact CB-CD1 4.41Å; V381-Y432 HydrophobicContact CB-CE1 3.98Å; V381-Y432 HydrophobicContact CG1-CD1 3.82Å; V381-Y432 HydrophobicContact CG1-CE1 3.88Å
382	F	97.2	Very high	97.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	5%	0.052	C	C	.	.			trans	-86.9	139.3	-177.5	-61.5	-43.4	0	0	0	113.2	I148 R151 F152 S328 I346 S380 E384 E385 N386	I148-F382 HydrophobicContact CD1-CE2 3.95Å; I148-F382 HydrophobicContact CD1-CZ 3.87Å; R151-F382 HydrophobicContact CB-CD1 4.37Å; R151-F382 HydrophobicContact CB-CE1 3.63Å; R151-F382 HydrophobicContact CB-CZ 3.96Å; F152-F382 AromaticContact CD1-CE1 3.77Å; F152-F382 HydrophobicContact CD1-CE1 3.77Å; F152-F382 HydrophobicContact CD1-CZ 4.28Å; F152-F382 AromaticContact CE1-CE1 3.48Å; F152-F382 HydrophobicContact CE1-CE1 3.48Å; F152-F382 VanDerWaalsContact CE1-CE1 3.48Å; F152-F382 AromaticContact CE1-CZ 3.64Å; F152-F382 HydrophobicContact CE1-CZ 3.64Å; F152-F382 HydrophobicContact CZ-CE1 4.4Å; F152-F382 HydrophobicContact CZ-CZ 4.13Å; S328-F382 VanDerWaalsContact CB-CE2 3.41Å; I346-F382 HydrophobicContact CD1-CD2 3.78Å; I346-F382 HydrophobicContact CD1-CE2 3.85Å; I346-F382 HydrophobicContact CG1-CD2 4.34Å; I346-F382 HydrophobicContact CG1-CE2 4.45Å; S380-F382 PolarHBondContact OG-N 3.02Å; S380-F382 VanDerWaalsContact OG-N 3.1Å; F382-E384 VanDerWaalsContact C-N 3.29Å; F382-E384 PolarHBondContact O-N 3.49Å; F382-E385 PolarHBondContact O-N 3.34Å; F382-N386 WeakPolarHBondContact O-CB 3.41Å; F382-N386 VanDerWaalsContact O-CG 3.28Å; F382-N386 PolarHBondContact O-N 3.4Å; F382-N386 PolarHBondContact O-ND2 2.79Å
383	V	97	Very high	97.9	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.018	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.1	-175.4	179.6	0	0	0	0	112.1	L155 E385 N386 E387 A388 F413 F416 F421	L155-V383 HydrophobicContact CD1-CG2 4.06Å; V383-E385 VanDerWaalsContact C-N 3.26Å; V383-E385 PolarHBondContact O-N 3.47Å; V383-N386 CarbonylContact O-C 3.48Å; V383-N386 PolarHBondContact O-N 2.88Å; V383-N386 VanDerWaalsContact O-N 3.14Å; V383-E387 HydrophobicContact CG1-CB 4.15Å; V383-E387 PolarHBondContact O-N 3.44Å; V383-A388 WeakPolarHBondContact O-CB 3.45Å; V383-A388 PolarHBondContact O-N 3.21Å; V383-F413 HydrophobicContact CG2-CD2 3.8Å; V383-F413 HydrophobicContact CG2-CE2 3.99Å; V383-F416 HydrophobicContact CB-CD1 4.19Å; V383-F416 HydrophobicContact CB-CE1 4.38Å; V383-F416 HydrophobicContact CB-CG 4.47Å; V383-F416 HydrophobicContact CG1-CB 4.28Å; V383-F416 HydrophobicContact CG1-CD1 4.12Å; V383-F416 HydrophobicContact CG1-CG 4.24Å; V383-F416 HydrophobicContact CG2-CD1 3.96Å; V383-F416 HydrophobicContact CG2-CD2 3.93Å; V383-F416 HydrophobicContact CG2-CE1 4.05Å; V383-F416 HydrophobicContact CG2-CE2 4.03Å; V383-F416 HydrophobicContact CG2-CG 3.9Å; V383-F416 HydrophobicContact CG2-CZ 4.08Å; V383-F421 HydrophobicContact CG1-CE1 4.47Å; V383-F421 HydrophobicContact CG1-CE2 3.48Å; V383-F421 VanDerWaalsContact CG1-CE2 3.48Å; V383-F421 HydrophobicContact CG1-CZ 3.34Å
384	E	96.9	Very high	97.8	Very high	47 Å²	47	9.5 Å²	9.5	22%	0.22	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.2	-179	-68.9	80	170.7	0	0	112.7	R151 I346 S350 F382 V389	R151-E384 IonicContact CZ-OE1 2.9Å; R151-E384 IonicContact CZ-OE2 2.71Å; R151-E384 IonicContact NH1-OE1 2.84Å; R151-E384 PolarHBondContact NH1-OE1 3.49Å; R151-E384 IonicContact NH2-OE1 3.21Å; R151-E384 PolarHBondContact NH2-OE1 3.2Å; R151-E384 IonicContact NH2-OE2 3.23Å; R151-E384 PolarHBondContact NH2-OE2 2.89Å; I346-E384 HydrophobicContact CG2-CB 4.26Å; S350-E384 WeakPolarHBondContact CB-O 3.23Å; S350-E384 PolarHBondContact OG-O 2.98Å; F382-E384 VanDerWaalsContact C-N 3.29Å; F382-E384 PolarHBondContact O-N 3.49Å; E384-V389 VanDerWaalsContact O-CG2 3.29Å; E384-V389 WeakPolarHBondContact O-CG2 3.46Å
385	E	98.2	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-14.6	175.4	-64.3	-176.3	84.8	0	0	112	C325 S326 I346 C349 Q353 Y376 S380 F382 V383 V389	C325-E385 WeakPolarHBondContact CA-OE1 3.46Å; S326-E385 WeakPolarHBondContact CB-OE2 3.44Å; S326-E385 PolarHBondContact N-OE1 2.93Å; S326-E385 PolarHBondContact OG-OE2 3.41Å; I346-E385 HydrophobicContact CG2-CG 4.22Å; C349-E385 HydrophobicContact CB-CG 4.48Å; C349-E385 WeakPolarHBondContact CB-OE1 3.18Å; Q353-E385 PolarHBondContact NE2-OE1 2.94Å; Q353-E385 VanDerWaalsContact OE1-CB 3.25Å; Q353-E385 PolarHBondContact OE1-O 3.27Å; Y376-E385 PolarHBondContact OH-O 2.97Å; S380-E385 WeakPolarHBondContact CB-OE2 3.42Å; S380-E385 PolarHBondContact OG-OE2 3.48Å; F382-E385 PolarHBondContact O-N 3.34Å; V383-E385 VanDerWaalsContact C-N 3.26Å; V383-E385 PolarHBondContact O-N 3.47Å; E385-V389 WeakPolarHBondContact O-CG2 3.26Å
386	N	98.3	Very high	97.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-98.7	-174.3	-66.6	-14.7	0	0	0	110.8	T378 S380 F382 V383 A388 V389 I390 F442	T378-N386 PolarHBondContact OG1-OD1 3.27Å; S380-N386 PolarHBondContact O-ND2 3.37Å; F382-N386 WeakPolarHBondContact O-CB 3.41Å; F382-N386 VanDerWaalsContact O-CG 3.28Å; F382-N386 PolarHBondContact O-N 3.4Å; F382-N386 PolarHBondContact O-ND2 2.79Å; V383-N386 CarbonylContact O-C 3.48Å; V383-N386 PolarHBondContact O-N 2.88Å; V383-N386 VanDerWaalsContact O-N 3.14Å; N386-A388 VanDerWaalsContact C-N 3.29Å; N386-A388 PolarHBondContact O-N 3.21Å; N386-V389 WeakPolarHBondContact O-CB 3.49Å; N386-V389 PolarHBondContact O-N 3.4Å; N386-I390 PolarHBondContact O-N 3.15Å; N386-F442 HydrophobicContact CB-CB 4.3Å; N386-F442 HydrophobicContact CB-CD1 3.7Å; N386-F442 HydrophobicContact CB-CD2 3.79Å; N386-F442 HydrophobicContact CB-CE1 3.85Å; N386-F442 HydrophobicContact CB-CE2 3.94Å; N386-F442 HydrophobicContact CB-CG 3.66Å; N386-F442 HydrophobicContact CB-CZ 3.96Å; N386-F442 VanDerWaalsContact CG-CB 3.47Å; N386-F442 WeakPolarHBondContact ND2-CB 3.43Å; N386-F442 WeakPolarHBondContact OD1-CB 3.29Å
387	E	98.3	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.8	-40.3	-174.9	-68.8	81.2	178.5	0	0	112.7	V383 V389 I390 D391 F413 F421 L425 R430 F442	V383-E387 HydrophobicContact CG1-CB 4.15Å; V383-E387 PolarHBondContact O-N 3.44Å; E387-V389 VanDerWaalsContact C-N 3.26Å; E387-V389 PolarHBondContact O-N 3.03Å; E387-I390 PolarHBondContact O-N 3.13Å; E387-D391 VanDerWaalsContact O-CB 3.28Å; E387-D391 WeakPolarHBondContact O-CB 3.48Å; E387-D391 PolarHBondContact O-N 3.41Å; E387-F413 HydrophobicContact CG-CB 4.16Å; E387-F413 PolarHBondContact OE1-N 3.02Å; E387-F421 HydrophobicContact CB-CD1 4.28Å; E387-F421 HydrophobicContact CB-CD2 3.94Å; E387-F421 HydrophobicContact CB-CE1 4.28Å; E387-F421 HydrophobicContact CB-CE2 3.94Å; E387-F421 HydrophobicContact CB-CG 4.13Å; E387-F421 HydrophobicContact CB-CZ 4.13Å; E387-L425 HydrophobicContact CB-CD1 4.24Å; E387-L425 HydrophobicContact CB-CG 4.45Å; E387-L425 HydrophobicContact CG-CD1 4.13Å; E387-L425 HydrophobicContact CG-CG 4.4Å; E387-R430 WeakPolarHBondContact OE1-CD 3.31Å; E387-R430 IonicContact OE1-CZ 3.61Å; E387-R430 IonicContact OE1-NE 3.75Å; E387-R430 IonicContact OE1-NH1 3.24Å; E387-R430 PolarHBondContact OE1-NH1 3.45Å; E387-R430 IonicContact OE2-CZ 2.71Å; E387-R430 IonicContact OE2-NH1 3.84Å; E387-R430 PolarHBondContact OE2-NH1 3.32Å; E387-F442 HydrophobicContact CG-CE2 4.47Å
388	A	97.6	Very high	97.4	Very high	11 Å²	11	23.2 Å²	23.2	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-29	-179.8	0	0	0	0	0	112.9	V383 N386 Y392 F421	V383-A388 WeakPolarHBondContact O-CB 3.45Å; V383-A388 PolarHBondContact O-N 3.21Å; N386-A388 VanDerWaalsContact C-N 3.29Å; N386-A388 PolarHBondContact O-N 3.21Å; A388-Y392 VanDerWaalsContact O-CB 3.25Å; A388-Y392 WeakPolarHBondContact O-CB 3.36Å; A388-Y392 PolarHBondContact O-N 3.27Å; A388-Y392 VanDerWaalsContact O-N 3.17Å; A388-F421 HydrophobicContact CB-CE1 4.02Å; A388-F421 HydrophobicContact CB-CZ 4.44Å
389	V	98.5	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-74.1	-43	175.9	178.1	0	0	0	0	110.3	Q353 K354 L357 Y376 E384 E385 N386 E387 Y392 A393	Q353-V389 HydrophobicContact CB-CG1 4.08Å; Q353-V389 HydrophobicContact CB-CG2 4.15Å; K354-V389 HydrophobicContact CG-CB 4.42Å; K354-V389 HydrophobicContact CG-CG1 4.06Å; K354-V389 HydrophobicContact CG-CG2 4.23Å; L357-V389 HydrophobicContact CB-CG1 4.39Å; L357-V389 HydrophobicContact CD2-CG1 3.68Å; Y376-V389 HydrophobicContact CE2-CG1 4.23Å; E384-V389 VanDerWaalsContact O-CG2 3.29Å; E384-V389 WeakPolarHBondContact O-CG2 3.46Å; E385-V389 WeakPolarHBondContact O-CG2 3.26Å; N386-V389 WeakPolarHBondContact O-CB 3.49Å; N386-V389 PolarHBondContact O-N 3.4Å; E387-V389 VanDerWaalsContact C-N 3.26Å; E387-V389 PolarHBondContact O-N 3.03Å; V389-Y392 PolarHBondContact O-N 3.4Å; V389-A393 PolarHBondContact O-N 2.92Å; V389-A393 VanDerWaalsContact O-N 3.13Å
390	I	98.4	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.8	-45.1	177.5	-60.7	-58.1	0	0	0	111.3	L357 Y376 N386 E387 Y392 A393 L394 V401 L425 F442 A444 L446	L357-I390 HydrophobicContact CD2-CD1 3.86Å; Y376-I390 HydrophobicContact CD1-CD1 3.58Å; Y376-I390 HydrophobicContact CD1-CG1 4.27Å; Y376-I390 HydrophobicContact CE1-CD1 4.31Å; Y376-I390 HydrophobicContact CG-CD1 3.84Å; N386-I390 PolarHBondContact O-N 3.15Å; E387-I390 PolarHBondContact O-N 3.13Å; I390-Y392 VanDerWaalsContact C-N 3.31Å; I390-Y392 PolarHBondContact O-N 2.99Å; I390-A393 WeakPolarHBondContact O-CB 3.28Å; I390-A393 PolarHBondContact O-N 3.34Å; I390-L394 HydrophobicContact CG2-CD1 4.37Å; I390-L394 WeakPolarHBondContact O-CG 3.48Å; I390-L394 PolarHBondContact O-N 3.24Å; I390-V401 HydrophobicContact CG2-CG2 3.85Å; I390-L425 HydrophobicContact CB-CD1 3.78Å; I390-L425 HydrophobicContact CG1-CD1 4.47Å; I390-L425 HydrophobicContact CG2-CD1 3.55Å; I390-L425 HydrophobicContact CG2-CD2 4.39Å; I390-F442 HydrophobicContact CG1-CE1 3.95Å; I390-F442 HydrophobicContact CG1-CZ 4.24Å; I390-A444 HydrophobicContact CD1-CB 3.64Å; I390-A444 HydrophobicContact CG1-CB 3.84Å; I390-L446 HydrophobicContact CD1-CD1 4.46Å; I390-L446 HydrophobicContact CG2-CD2 4.23Å
391	D	97.9	Very high	97.4	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-42.8	177.7	-166.7	78.3	0	0	0	111.3	E387 A393 L394 Q395 F421 H422	E387-D391 VanDerWaalsContact O-CB 3.28Å; E387-D391 WeakPolarHBondContact O-CB 3.48Å; E387-D391 PolarHBondContact O-N 3.41Å; D391-A393 VanDerWaalsContact C-N 3.29Å; D391-A393 PolarHBondContact O-N 3.23Å; D391-L394 PolarHBondContact O-N 2.92Å; D391-Q395 WeakPolarHBondContact O-CG 3.44Å; D391-Q395 PolarHBondContact O-N 3.11Å; D391-Q395 PolarHBondContact OD2-NE2 2.85Å; D391-F421 HydrophobicContact CB-CD1 3.81Å; D391-H422 WeakPolarHBondContact OD1-CB 3.48Å; D391-H422 PolarHBondContact OD1-N 3.41Å
392	Y	97.9	Very high	97.5	Very high	53 Å²	53	28.8 Å²	28.8	21%	0.208	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-38.4	172.6	175.5	-93.8	0	0	0	113	K354 L358 A388 V389 I390 R396	K354-Y392 HydrophobicContact CB-CD1 3.8Å; K354-Y392 HydrophobicContact CB-CE1 3.73Å; K354-Y392 HydrophobicContact CD-CD1 4Å; K354-Y392 HydrophobicContact CD-CD2 4.29Å; K354-Y392 HydrophobicContact CD-CE1 4.3Å; K354-Y392 HydrophobicContact CD-CG 3.98Å; K354-Y392 HydrophobicContact CG-CD1 3.61Å; K354-Y392 HydrophobicContact CG-CE1 4.02Å; K354-Y392 HydrophobicContact CG-CG 4.01Å; L358-Y392 HydrophobicContact CD1-CE1 3.72Å; L358-Y392 HydrophobicContact CD2-CE1 4.43Å; L358-Y392 HydrophobicContact CG-CE1 4.11Å; A388-Y392 VanDerWaalsContact O-CB 3.25Å; A388-Y392 WeakPolarHBondContact O-CB 3.36Å; A388-Y392 PolarHBondContact O-N 3.27Å; A388-Y392 VanDerWaalsContact O-N 3.17Å; V389-Y392 PolarHBondContact O-N 3.4Å; I390-Y392 VanDerWaalsContact C-N 3.31Å; I390-Y392 PolarHBondContact O-N 2.99Å; Y392-R396 VanDerWaalsContact CE2-NE 3.33Å; Y392-R396 VanDerWaalsContact CZ-NE 3.25Å; Y392-R396 WeakPolarHBondContact OH-CD 3.32Å; Y392-R396 PolarHBondContact OH-NE 2.75Å; Y392-R396 VanDerWaalsContact OH-NE 3.16Å; Y392-R396 PolarHBondContact OH-NH1 3.16Å
393	A	97.9	Very high	97.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-38.9	178.1	0	0	0	0	0	112.8	L357 L358 I361 V389 I390 D391 Q395 R396 R397	L357-A393 HydrophobicContact CD2-CB 3.51Å; L357-A393 HydrophobicContact CG-CB 3.94Å; L358-A393 HydrophobicContact CD2-CB 4.41Å; I361-A393 HydrophobicContact CD1-CB 3.81Å; V389-A393 PolarHBondContact O-N 2.92Å; V389-A393 VanDerWaalsContact O-N 3.13Å; I390-A393 WeakPolarHBondContact O-CB 3.28Å; I390-A393 PolarHBondContact O-N 3.34Å; D391-A393 VanDerWaalsContact C-N 3.29Å; D391-A393 PolarHBondContact O-N 3.23Å; A393-Q395 PolarHBondContact O-N 2.99Å; A393-R396 PolarHBondContact O-N 2.96Å; A393-R396 VanDerWaalsContact O-N 3.08Å; A393-R397 PolarHBondContact O-N 2.95Å
394	L	97.2	Very high	97.5	Very high	30 Å²	30	32.5 Å²	32.5	16%	0.157	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-35.8	175.9	-72.1	168.1	0	0	0	112.1	I390 D391 R396 V399 V401 H422 L425	I390-L394 HydrophobicContact CG2-CD1 4.37Å; I390-L394 WeakPolarHBondContact O-CG 3.48Å; I390-L394 PolarHBondContact O-N 3.24Å; D391-L394 PolarHBondContact O-N 2.92Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 2.67Å; L394-V399 HydrophobicContact CD2-CG2 4.1Å; L394-V399 WeakPolarHBondContact CD2-O 3.48Å; L394-V401 HydrophobicContact CD1-CG2 3.97Å; L394-V401 HydrophobicContact CD2-CG2 4.16Å; L394-V401 HydrophobicContact CG-CG2 4.45Å; L394-H422 HydrophobicContact CD1-CB 3.7Å; L394-L425 HydrophobicContact CD1-CD2 3.77Å
395	Q	96.5	Very high	97.5	Very high	129 Å²	129	33.4 Å²	33.4	60%	0.603	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.4	179	-63.9	173.3	26.2	0	0	113.7	D391 A393	D391-Q395 WeakPolarHBondContact O-CG 3.44Å; D391-Q395 PolarHBondContact O-N 3.11Å; D391-Q395 PolarHBondContact OD2-NE2 2.85Å; A393-Q395 PolarHBondContact O-N 2.99Å
396	R	96.5	Very high	97.3	Very high	91 Å²	91	34.2 Å²	34.2	34%	0.343	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-12.1	-168.9	-74.4	-175.3	169.6	-117.5	-3.8	114.8	L358 Y392 A393 L394	L358-R396 HydrophobicContact CD2-CB 3.9Å; Y392-R396 VanDerWaalsContact CE2-NE 3.33Å; Y392-R396 VanDerWaalsContact CZ-NE 3.25Å; Y392-R396 WeakPolarHBondContact OH-CD 3.32Å; Y392-R396 PolarHBondContact OH-NE 2.75Å; Y392-R396 VanDerWaalsContact OH-NE 3.16Å; Y392-R396 PolarHBondContact OH-NH1 3.16Å; A393-R396 PolarHBondContact O-N 2.96Å; A393-R396 VanDerWaalsContact O-N 3.08Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 2.67Å
397	R	96	Very high	97	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.147	22%	0.221	C	C	.	.	S	Bend	trans	-138.9	148.6	-179.3	-68.4	-63.4	-175.5	-86.4	1.8	110.8	L358 I361 D362 A393 V399	L358-R397 HydrophobicContact CD2-CG 3.8Å; I361-R397 HydrophobicContact CB-CG 4.36Å; I361-R397 HydrophobicContact CD1-CB 4.17Å; I361-R397 HydrophobicContact CD1-CG 4.2Å; I361-R397 HydrophobicContact CG2-CB 3.81Å; I361-R397 HydrophobicContact CG2-CG 3.87Å; D362-R397 IonicContact OD1-CZ 2.68Å; D362-R397 IonicContact OD1-NE 2.7Å; D362-R397 PolarHBondContact OD1-NE 3.03Å; D362-R397 IonicContact OD1-NH2 2.96Å; D362-R397 IonicContact OD2-CZ 3.59Å; D362-R397 IonicContact OD2-NE 2.75Å; D362-R397 IonicContact OD2-NH2 3.57Å; D362-R397 PolarHBondContact OD2-NH2 3.26Å; A393-R397 PolarHBondContact O-N 2.95Å; R397-V399 HydrophobicContact CB-CG1 4.26Å; R397-V399 HydrophobicContact CB-CG2 4.28Å; R397-V399 PolarHBondContact O-N 3.23Å
398	P	95.5	Very high	96.8	Very high	32 Å²	32	42.4 Å²	42.4	21%	0.208	23%	0.232	C	C	.	.	S	Bend	trans	-75.1	75.3	176	32.8	-34.9	0	0	0	109.3	L449 S450	P398-L449 HydrophobicContact CB-CB 4.3Å; P398-L449 WeakPolarHBondContact O-CB 3.44Å; P398-L449 PolarHBondContact O-N 2.96Å; P398-S450 WeakPolarHBondContact CB-OG 3.37Å; P398-S450 WeakPolarHBondContact CG-OG 3.23Å
399	V	97.4	Very high	96.7	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.6	177.4	-66.4	0	0	0	0	109.5	I361 L394 R397 K447 K448	I361-V399 HydrophobicContact CB-CG1 4.44Å; I361-V399 HydrophobicContact CD1-CG1 4.06Å; I361-V399 HydrophobicContact CD1-CG2 4.16Å; I361-V399 HydrophobicContact CG1-CG1 4.12Å; I361-V399 HydrophobicContact CG2-CG1 3.46Å; I361-V399 VanDerWaalsContact CG2-CG1 3.46Å; L394-V399 HydrophobicContact CD2-CG2 4.1Å; L394-V399 WeakPolarHBondContact CD2-O 3.48Å; R397-V399 HydrophobicContact CB-CG1 4.26Å; R397-V399 HydrophobicContact CB-CG2 4.28Å; R397-V399 PolarHBondContact O-N 3.23Å; V399-K447 VanDerWaalsContact CA-O 3.29Å; V399-K447 WeakPolarHBondContact CA-O 3.47Å; V399-K448 HydrophobicContact CG1-CB 4.35Å; V399-K448 HydrophobicContact CG1-CG 4.38Å
400	K	97.6	Very high	96.6	Very high	109 Å²	109	45.5 Å²	45.5	47%	0.474	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.2	168	65.2	178.8	179.7	178.5	0	110.1	V402 L446 K447 L449	K400-V402 HydrophobicContact CD-CG1 4.33Å; K400-V402 HydrophobicContact CG-CG1 4Å; K400-L446 CarbonylContact O-C 3.58Å; K400-L446 WeakPolarHBondContact O-CA 3.43Å; K400-K447 HydrophobicContact CG-CB 4.02Å; K400-K447 PolarHBondContact N-O 3.19Å; K400-K447 PolarHBondContact O-N 2.97Å; K400-L449 HydrophobicContact CD-CD2 3.94Å; K400-L449 HydrophobicContact CG-CD2 3.97Å
401	V	98.4	Very high	96.6	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.1	167.8	-169.8	0	0	0	0	108.2	I390 L394 S424 E427 K445 L446	I390-V401 HydrophobicContact CG2-CG2 3.85Å; L394-V401 HydrophobicContact CD1-CG2 3.97Å; L394-V401 HydrophobicContact CD2-CG2 4.16Å; L394-V401 HydrophobicContact CG-CG2 4.45Å; V401-S424 WeakPolarHBondContact CB-OG 3.33Å; V401-S424 WeakPolarHBondContact CG1-O 3.06Å; V401-S424 WeakPolarHBondContact CG2-OG 3.31Å; V401-E427 HydrophobicContact CG1-CB 3.89Å; V401-K445 WeakPolarHBondContact CA-O 3.28Å; V401-L446 HydrophobicContact CB-CD2 4.24Å; V401-L446 HydrophobicContact CG2-CD2 3.67Å
402	V	97.9	Very high	96.5	Very high	21 Å²	21	48.8 Å²	48.8	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.4	176.7	-64.3	0	0	0	0	109.5	Y373 K400 T404 K445 K447	Y373-V402 HydrophobicContact CD1-CG2 4.26Å; Y373-V402 HydrophobicContact CE1-CG2 4.12Å; K400-V402 HydrophobicContact CD-CG1 4.33Å; K400-V402 HydrophobicContact CG-CG1 4Å; V402-T404 PolarHBondContact O-N 3.23Å; V402-K445 HydrophobicContact CG2-CB 4.02Å; V402-K445 HydrophobicContact CG2-CD 3.9Å; V402-K445 HydrophobicContact CG2-CG 3.65Å; V402-K445 WeakPolarHBondContact CG2-O 3.21Å; V402-K445 PolarHBondContact N-O 3.32Å; V402-K447 HydrophobicContact CG1-CB 3.79Å
403	P	98	Very high	96.5	Very high	81 Å²	81	48.9 Å²	48.9	53%	0.526	28%	0.275	S	S	.	.			trans	-52	133.1	174.8	-26.3	33.9	0	0	0	111.3	G405	P403-G405 PolarHBondContact O-N 2.91Å
404	T	96.8	Very high	96.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.293	C	S	.	.			trans	-66.9	-25.5	-179.2	53.9	0	0	0	0	112.7	A243 V402 L406 R429 V443 K445	A243-T404 WeakPolarHBondContact CA-O 3.42Å; V402-T404 PolarHBondContact O-N 3.23Å; T404-L406 PolarHBondContact OG1-N 3.26Å; T404-R429 HydrophobicContact CG2-CG 4.31Å; T404-R429 WeakPolarHBondContact OG1-CG 3.43Å; T404-V443 HydrophobicContact CG2-CG1 4.22Å; T404-K445 HydrophobicContact CG2-CB 4.16Å
405	G	95.6	Very high	96.3	Very high	67 Å²	67	57.9 Å²	57.9	69%	0.691	31%	0.314	S	S	*	.			trans	81.7	2.1	-170.2	0	0	0	0	0	113.5	P403	P403-G405 PolarHBondContact O-N 2.91Å
406	L	95.4	Very high	96.2	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.084	29%	0.292	C	S	.	.			trans	-77.4	130	173.1	-58.2	173.6	0	0	0	109.2	L239 L242 A243 T404 F408 R429 F431 V443	L239-L406 HydrophobicContact CB-CD1 4.11Å; L239-L406 HydrophobicContact CB-CD2 4.42Å; L239-L406 HydrophobicContact CD2-CD2 4.12Å; L242-L406 HydrophobicContact CB-CD2 3.99Å; A243-L406 HydrophobicContact CB-CD1 4.47Å; A243-L406 HydrophobicContact CB-CG 4.41Å; T404-L406 PolarHBondContact OG1-N 3.26Å; L406-F408 PolarHBondContact O-N 3.16Å; L406-R429 HydrophobicContact CB-CG 4.39Å; L406-R429 HydrophobicContact CD1-CB 4.34Å; L406-R429 HydrophobicContact CD1-CG 4.38Å; L406-F431 HydrophobicContact CD1-CE2 4.19Å; L406-F431 HydrophobicContact CD1-CZ 3.89Å; L406-V443 HydrophobicContact CD1-CB 4.23Å; L406-V443 HydrophobicContact CD1-CG1 4.27Å; L406-V443 HydrophobicContact CD1-CG2 4.33Å
407	T	91.6	Very high	95.9	Very high	125 Å²	125	54.8 Å²	54.8	77%	0.767	30%	0.298	S	S	*	.	S	Bend	trans	-75.5	-9.8	-176.3	52.6	0	0	0	0	113.9
408	F	94.1	Very high	95.3	Very high	49 Å²	49	58 Å²	58	22%	0.215	33%	0.326	C	S	.	.			trans	-146	179.8	-175.4	74.5	-74.6	0	0	0	111.3	W205 L239 L406 F431 H436 M438	W205-F408 HydrophobicContact CB-CD1 4.14Å; W205-F408 HydrophobicContact CB-CE1 3.82Å; W205-F408 AromaticContact CD1-CE1 3.87Å; W205-F408 AromaticContact CD2-CE1 3.54Å; W205-F408 HydrophobicContact CD2-CE1 3.54Å; W205-F408 AromaticContact CD2-CZ 3.78Å; W205-F408 HydrophobicContact CD2-CZ 3.78Å; W205-F408 AromaticContact CE2-CE1 3.99Å; W205-F408 AromaticContact CE2-CZ 3.73Å; W205-F408 AromaticContact CE3-CE1 3.94Å; W205-F408 HydrophobicContact CE3-CE1 3.94Å; W205-F408 HydrophobicContact CE3-CZ 4.24Å; W205-F408 HydrophobicContact CG-CD1 4.14Å; W205-F408 AromaticContact CG-CE1 3.47Å; W205-F408 HydrophobicContact CG-CE1 3.47Å; W205-F408 VanDerWaalsContact CG-CE1 3.47Å; W205-F408 HydrophobicContact CG-CZ 4.02Å; W205-F408 HydrophobicContact CZ2-CZ 4.14Å; W205-F408 AromaticContact NE1-CZ 3.94Å; L239-F408 HydrophobicContact CD2-CE1 3.93Å; L239-F408 HydrophobicContact CD2-CZ 3.72Å; L406-F408 PolarHBondContact O-N 3.16Å; F408-F431 HydrophobicContact CD2-CD1 4.18Å; F408-F431 AromaticContact CD2-CE1 3.66Å; F408-F431 HydrophobicContact CD2-CE1 3.66Å; F408-F431 HydrophobicContact CE1-CE1 4.48Å; F408-F431 AromaticContact CE2-CD1 3.77Å; F408-F431 HydrophobicContact CE2-CD1 3.77Å; F408-F431 AromaticContact CE2-CE1 3.41Å; F408-F431 HydrophobicContact CE2-CE1 3.41Å; F408-F431 VanDerWaalsContact CE2-CE1 3.41Å; F408-F431 HydrophobicContact CG-CE1 4.32Å; F408-F431 HydrophobicContact CZ-CD1 4.46Å; F408-F431 AromaticContact CZ-CE1 3.87Å; F408-F431 HydrophobicContact CZ-CE1 3.87Å; F408-H436 AromaticContact CD2-CD2 3.75Å; F408-M438 HydrophobicContact CE2-CE 3.56Å; F408-M438 HydrophobicContact CZ-CE 3.84Å
409	G	95.2	Very high	94.9	Very high	18 Å²	18	56.6 Å²	56.6	19%	0.186	32%	0.317	C	S	.	.	S	Bend	trans	97.9	149.6	-171.5	0	0	0	0	0	111.6
410	L	97	Very high	94.8	Very high	58 Å²	58	65.2 Å²	65.2	30%	0.304	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.4	178.8	-64.8	-178.7	0	0	0	110.9	R429 R430 Y432 K435	L410-R429 CarbonylContact O-C 3.48Å; L410-R429 VanDerWaalsContact O-CA 3.31Å; L410-R429 WeakPolarHBondContact O-CA 3.46Å; L410-R430 HydrophobicContact CB-CB 4.36Å; L410-R430 PolarHBondContact N-O 2.76Å; L410-R430 PolarHBondContact O-N 2.84Å; L410-Y432 HydrophobicContact CD1-CD2 3.82Å; L410-Y432 HydrophobicContact CD1-CE2 3.79Å; L410-K435 HydrophobicContact CD1-CD 3.59Å; L410-K435 HydrophobicContact CG-CD 4.37Å
411	P	97.4	Very high	94.7	Very high	76 Å²	76	60.7 Å²	60.7	49%	0.494	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	149.1	174.7	26.9	-34.4	0	0	0	111.3	K426	P411-K426 WeakPolarHBondContact CB-O 3.22Å
412	G	97.1	Very high	94.6	Very high	6 Å²	6	64.5 Å²	64.5	6%	0.062	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.4	156	171.2	0	0	0	0	0	112.3	T414 L425 C428	G412-T414 PolarHBondContact O-N 3.48Å; G412-L425 WeakPolarHBondContact CA-O 3.29Å; G412-C428 PolarHBondContact N-O 2.93Å; G412-C428 VanDerWaalsContact N-O 3.1Å
413	F	97.1	Very high	94.6	Very high	55 Å²	55	67.9 Å²	67.9	24%	0.241	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-72.2	127.6	-179.6	-63	-60.3	0	0	0	111.9	L155 V383 E387 F421 L425 R430	L155-F413 HydrophobicContact CD1-CE2 3.82Å; L155-F413 HydrophobicContact CD1-CZ 4.16Å; V383-F413 HydrophobicContact CG2-CD2 3.8Å; V383-F413 HydrophobicContact CG2-CE2 3.99Å; E387-F413 HydrophobicContact CG-CB 4.16Å; E387-F413 PolarHBondContact OE1-N 3.02Å; F413-F421 HydrophobicContact CB-CD2 4.46Å; F413-F421 WeakPolarHBondContact O-CD2 3.17Å; F413-L425 WeakPolarHBondContact O-CB 3.42Å; F413-R430 VanDerWaalsContact CE2-CZ 3.43Å
414	T	96.7	Very high	94.6	Very high	62 Å²	62	65 Å²	65	38%	0.38	35%	0.35	S	S	.	.	S	Bend	trans	-92.8	-20.1	166.3	55.4	0	0	0	0	112	G412 F421 P423 K426	G412-T414 PolarHBondContact O-N 3.48Å; T414-F421 PolarHBondContact O-N 3.37Å; T414-P423 WeakPolarHBondContact CG2-O 3.4Å; T414-K426 HydrophobicContact CG2-CB 3.94Å
415	R	94.7	Very high	94.6	Very high	158 Å²	158	65 Å²	65	60%	0.596	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.9	172.6	-179.1	179.9	169.7	-178.8	-5.5	108.5	R417 G419	R415-R417 PolarHBondContact NE-O 2.9Å; R415-G419 WeakPolarHBondContact CA-O 3Å; R415-G419 WeakPolarHBondContact CG-O 3.45Å
416	F	93.4	Very high	94.7	Very high	33 Å²	33	67.3 Å²	67.3	15%	0.145	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	114.7	171.8	-176.6	-110.1	0	0	0	108	N154 L155 V383 S418 G419 F421	N154-F416 WeakPolarHBondContact O-CZ 3.5Å; L155-F416 HydrophobicContact CD1-CE2 3.85Å; L155-F416 HydrophobicContact CD1-CZ 4.26Å; V383-F416 HydrophobicContact CB-CD1 4.19Å; V383-F416 HydrophobicContact CB-CE1 4.38Å; V383-F416 HydrophobicContact CB-CG 4.47Å; V383-F416 HydrophobicContact CG1-CB 4.28Å; V383-F416 HydrophobicContact CG1-CD1 4.12Å; V383-F416 HydrophobicContact CG1-CG 4.24Å; V383-F416 HydrophobicContact CG2-CD1 3.96Å; V383-F416 HydrophobicContact CG2-CD2 3.93Å; V383-F416 HydrophobicContact CG2-CE1 4.05Å; V383-F416 HydrophobicContact CG2-CE2 4.03Å; V383-F416 HydrophobicContact CG2-CG 3.9Å; V383-F416 HydrophobicContact CG2-CZ 4.08Å; F416-S418 PolarHBondContact O-N 3.12Å; F416-G419 PolarHBondContact N-O 3.18Å; F416-G419 WeakPolarHBondContact O-CA 2.93Å; F416-G419 PolarHBondContact O-N 2.92Å; F416-F421 HydrophobicContact CB-CE2 3.8Å
417	R	89.8	Confident	94.8	Very high	122 Å²	122	68.8 Å²	68.8	46%	0.46	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-121.7	-173.7	-57.8	176.1	161.8	-135	-37.5	111.7	N154 R415	N154-R417 VanDerWaalsContact CA-NH2 3.27Å; N154-R417 PolarHBondContact ND2-NH1 2.99Å; N154-R417 PolarHBondContact O-NE 2.7Å; N154-R417 PolarHBondContact OD1-NH2 3.3Å; R415-R417 PolarHBondContact NE-O 2.9Å
418	S	83.8	Confident	95.1	Very high	105 Å²	105	62.8 Å²	62.8	73%	0.734	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.9	175.3	51.7	0	0	0	0	113.1	F416	F416-S418 PolarHBondContact O-N 3.12Å
419	G	87.7	Confident	95.3	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.2	-179.1	0	0	0	0	0	112.8	R415 F416	R415-G419 WeakPolarHBondContact CA-O 3Å; R415-G419 WeakPolarHBondContact CG-O 3.45Å; F416-G419 PolarHBondContact N-O 3.18Å; F416-G419 WeakPolarHBondContact O-CA 2.93Å; F416-G419 PolarHBondContact O-N 2.92Å
420	R	94.4	Very high	95.5	Very high	194 Å²	194	62 Å²	62	73%	0.732	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.9	172.1	-62.7	-173.4	-177.2	-144.3	3.1	108.8	Y465	R420-Y465 PolarHBondContact O-OH 3.08Å
421	F	96.7	Very high	95.5	Very high	13 Å²	13	59.3 Å²	59.3	6%	0.057	29%	0.287	C	S	.	.			trans	-101.9	166.1	173.5	-58.9	-66.5	0	0	0	110.2	V383 E387 A388 D391 F413 T414 F416 L425 Y465	V383-F421 HydrophobicContact CG1-CE1 4.47Å; V383-F421 HydrophobicContact CG1-CE2 3.48Å; V383-F421 VanDerWaalsContact CG1-CE2 3.48Å; V383-F421 HydrophobicContact CG1-CZ 3.34Å; E387-F421 HydrophobicContact CB-CD1 4.28Å; E387-F421 HydrophobicContact CB-CD2 3.94Å; E387-F421 HydrophobicContact CB-CE1 4.28Å; E387-F421 HydrophobicContact CB-CE2 3.94Å; E387-F421 HydrophobicContact CB-CG 4.13Å; E387-F421 HydrophobicContact CB-CZ 4.13Å; A388-F421 HydrophobicContact CB-CE1 4.02Å; A388-F421 HydrophobicContact CB-CZ 4.44Å; D391-F421 HydrophobicContact CB-CD1 3.81Å; F413-F421 HydrophobicContact CB-CD2 4.46Å; F413-F421 WeakPolarHBondContact O-CD2 3.17Å; T414-F421 PolarHBondContact O-N 3.37Å; F416-F421 HydrophobicContact CB-CE2 3.8Å; F421-L425 HydrophobicContact CB-CD2 4.33Å; F421-L425 HydrophobicContact CB-CG 4.1Å; F421-Y465 VanDerWaalsContact CD1-OH 3.29Å; F421-Y465 WeakPolarHBondContact CD1-OH 3.09Å; F421-Y465 AromaticContact CE1-CE1 3.83Å; F421-Y465 HydrophobicContact CE1-CE1 3.83Å; F421-Y465 HydrophobicContact CE1-CE2 4.32Å; F421-Y465 AromaticContact CE1-CZ 3.47Å; F421-Y465 VanDerWaalsContact CE1-CZ 3.47Å; F421-Y465 WeakPolarHBondContact CE1-OH 3.11Å; F421-Y465 AromaticContact CZ-CE1 3.92Å; F421-Y465 HydrophobicContact CZ-CE1 3.92Å
422	H	96.8	Very high	95.4	Very high	92 Å²	92	56 Å²	56	43%	0.426	26%	0.264	S	S	.	.			trans	-55.8	135	174.9	-172.9	-90.2	0	0	0	111.3	D391 L394 S424 L425	D391-H422 WeakPolarHBondContact OD1-CB 3.48Å; D391-H422 PolarHBondContact OD1-N 3.41Å; L394-H422 HydrophobicContact CD1-CB 3.7Å; H422-S424 PolarHBondContact CE1-OG 3.29Å; H422-S424 WeakPolarHBondContact ND1-CB 3.22Å; H422-S424 PolarHBondContact ND1-N 2.9Å; H422-S424 PolarHBondContact ND1-OG 2.65Å; H422-S424 PolarHBondContact O-N 3.49Å; H422-L425 HydrophobicContact CB-CD2 3.72Å; H422-L425 WeakPolarHBondContact O-CB 3.37Å; H422-L425 VanDerWaalsContact O-CD2 3.22Å; H422-L425 WeakPolarHBondContact O-CD2 3.18Å; H422-L425 PolarHBondContact O-N 3.38Å
423	P	97.2	Very high	95.3	Very high	91 Å²	91	55.9 Å²	55.9	59%	0.591	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.3	-25.5	-173.9	-28.2	35.5	0	0	0	115	T414 L425 K426	T414-P423 WeakPolarHBondContact CG2-O 3.4Å; P423-L425 PolarHBondContact O-N 3.3Å; P423-K426 WeakPolarHBondContact O-CG 3.41Å; P423-K426 PolarHBondContact O-N 2.92Å
424	S	97.6	Very high	95.2	Very high	22 Å²	22	55 Å²	55	15%	0.154	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-68.5	-10.7	176.6	74.7	0	0	0	0	113.8	V401 H422 K426 E427	V401-S424 WeakPolarHBondContact CB-OG 3.33Å; V401-S424 WeakPolarHBondContact CG1-O 3.06Å; V401-S424 WeakPolarHBondContact CG2-OG 3.31Å; H422-S424 PolarHBondContact CE1-OG 3.29Å; H422-S424 WeakPolarHBondContact ND1-CB 3.22Å; H422-S424 PolarHBondContact ND1-N 2.9Å; H422-S424 PolarHBondContact ND1-OG 2.65Å; H422-S424 PolarHBondContact O-N 3.49Å; S424-K426 PolarHBondContact O-N 3.29Å; S424-E427 WeakPolarHBondContact O-CB 3.41Å; S424-E427 WeakPolarHBondContact O-CG 3.3Å; S424-E427 PolarHBondContact O-N 2.83Å
425	L	97.5	Very high	95.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-62.1	-19.4	175.9	-88.3	-60	0	0	0	112.4	E387 I390 L394 G412 F413 F421 H422 P423 E427 C428	E387-L425 HydrophobicContact CB-CD1 4.24Å; E387-L425 HydrophobicContact CB-CG 4.45Å; E387-L425 HydrophobicContact CG-CD1 4.13Å; E387-L425 HydrophobicContact CG-CG 4.4Å; I390-L425 HydrophobicContact CB-CD1 3.78Å; I390-L425 HydrophobicContact CG1-CD1 4.47Å; I390-L425 HydrophobicContact CG2-CD1 3.55Å; I390-L425 HydrophobicContact CG2-CD2 4.39Å; L394-L425 HydrophobicContact CD1-CD2 3.77Å; G412-L425 WeakPolarHBondContact CA-O 3.29Å; F413-L425 WeakPolarHBondContact O-CB 3.42Å; F421-L425 HydrophobicContact CB-CD2 4.33Å; F421-L425 HydrophobicContact CB-CG 4.1Å; H422-L425 HydrophobicContact CB-CD2 3.72Å; H422-L425 WeakPolarHBondContact O-CB 3.37Å; H422-L425 VanDerWaalsContact O-CD2 3.22Å; H422-L425 WeakPolarHBondContact O-CD2 3.18Å; H422-L425 PolarHBondContact O-N 3.38Å; P423-L425 PolarHBondContact O-N 3.3Å; L425-E427 PolarHBondContact O-N 2.91Å; L425-E427 VanDerWaalsContact O-N 3.14Å; L425-C428 VanDerWaalsContact O-CB 3.24Å; L425-C428 WeakPolarHBondContact O-CB 3.43Å; L425-C428 PolarHBondContact O-N 2.75Å; L425-C428 PolarHBondContact O-SG 3.13Å
426	K	97.4	Very high	95	Very high	116 Å²	116	50.9 Å²	50.9	50%	0.504	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-57.6	-23.4	170.3	74.8	-176.7	-174.3	168.5	0	113.5	P411 T414 P423 S424 C428 R429	P411-K426 WeakPolarHBondContact CB-O 3.22Å; T414-K426 HydrophobicContact CG2-CB 3.94Å; P423-K426 WeakPolarHBondContact O-CG 3.41Å; P423-K426 PolarHBondContact O-N 2.92Å; S424-K426 PolarHBondContact O-N 3.29Å; K426-C428 VanDerWaalsContact C-N 3.29Å; K426-R429 PolarHBondContact O-NH1 2.71Å
427	E	98	Very high	94.8	Very high	46 Å²	46	53.6 Å²	53.6	22%	0.215	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.6	-13.8	178.2	-58.4	-53.3	147.8	0	0	113	V401 S424 L425 R429	V401-E427 HydrophobicContact CG1-CB 3.89Å; S424-E427 WeakPolarHBondContact O-CB 3.41Å; S424-E427 WeakPolarHBondContact O-CG 3.3Å; S424-E427 PolarHBondContact O-N 2.83Å; L425-E427 PolarHBondContact O-N 2.91Å; L425-E427 VanDerWaalsContact O-N 3.14Å; E427-R429 PolarHBondContact O-NH1 2.9Å
428	C	98.2	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-69.2	163.2	169.1	-57.4	0	0	0	0	110.5	G412 L425 K426 F442 V443 A444	G412-C428 PolarHBondContact N-O 2.93Å; G412-C428 VanDerWaalsContact N-O 3.1Å; L425-C428 VanDerWaalsContact O-CB 3.24Å; L425-C428 WeakPolarHBondContact O-CB 3.43Å; L425-C428 PolarHBondContact O-N 2.75Å; L425-C428 PolarHBondContact O-SG 3.13Å; K426-C428 VanDerWaalsContact C-N 3.29Å; C428-F442 HydrophobicContact CB-CE2 3.7Å; C428-F442 HydrophobicContact CB-CZ 3.74Å; C428-V443 WeakPolarHBondContact CA-O 3.41Å; C428-A444 HydrophobicContact CB-CB 4.4Å; C428-A444 VanDerWaalsContact SG-CB 3.54Å
429	R	98.4	Very high	95.3	Very high	47 Å²	47	44 Å²	44	18%	0.177	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.2	177.2	-64.4	-67.3	177.3	-96.8	3.3	111.4	T404 L406 L410 K426 E427 F431 F442 V443	T404-R429 HydrophobicContact CG2-CG 4.31Å; T404-R429 WeakPolarHBondContact OG1-CG 3.43Å; L406-R429 HydrophobicContact CB-CG 4.39Å; L406-R429 HydrophobicContact CD1-CB 4.34Å; L406-R429 HydrophobicContact CD1-CG 4.38Å; L410-R429 CarbonylContact O-C 3.48Å; L410-R429 VanDerWaalsContact O-CA 3.31Å; L410-R429 WeakPolarHBondContact O-CA 3.46Å; K426-R429 PolarHBondContact O-NH1 2.71Å; E427-R429 PolarHBondContact O-NH1 2.9Å; R429-F431 HydrophobicContact CB-CE2 3.64Å; R429-F431 HydrophobicContact CB-CZ 3.78Å; R429-F442 WeakPolarHBondContact O-CA 3.44Å; R429-V443 PolarHBondContact N-O 2.99Å; R429-V443 PolarHBondContact O-N 3.22Å
430	R	98.2	Very high	95.7	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.2	174.9	-56.4	-176.9	70.1	87.8	-3.6	109	V381 E387 L410 F413 Y432 F442	V381-R430 PolarHBondContact O-NH2 3.03Å; E387-R430 WeakPolarHBondContact OE1-CD 3.31Å; E387-R430 IonicContact OE1-CZ 3.61Å; E387-R430 IonicContact OE1-NE 3.75Å; E387-R430 IonicContact OE1-NH1 3.24Å; E387-R430 PolarHBondContact OE1-NH1 3.45Å; E387-R430 IonicContact OE2-CZ 2.71Å; E387-R430 IonicContact OE2-NH1 3.84Å; E387-R430 PolarHBondContact OE2-NH1 3.32Å; L410-R430 HydrophobicContact CB-CB 4.36Å; L410-R430 PolarHBondContact N-O 2.76Å; L410-R430 PolarHBondContact O-N 2.84Å; F413-R430 VanDerWaalsContact CE2-CZ 3.43Å; R430-Y432 HydrophobicContact CB-CE2 4.14Å; R430-Y432 PolarHBondContact NE-OH 2.78Å; R430-Y432 PolarHBondContact NH2-OH 3.16Å; R430-F442 HydrophobicContact CG-CD2 3.98Å; R430-F442 HydrophobicContact CG-CE2 4.34Å
431	F	97.2	Very high	95.8	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.2	176	-56.9	-87.6	0	0	0	107.7	L239 L406 F408 R429 M438 G440 F441 V443	L239-F431 HydrophobicContact CD1-CD1 3.93Å; L239-F431 HydrophobicContact CD1-CD2 3.7Å; L239-F431 HydrophobicContact CD1-CE1 3.83Å; L239-F431 HydrophobicContact CD1-CE2 3.62Å; L239-F431 HydrophobicContact CD1-CG 3.87Å; L239-F431 HydrophobicContact CD1-CZ 3.69Å; L239-F431 HydrophobicContact CD2-CE1 4.49Å; L239-F431 HydrophobicContact CD2-CZ 4.35Å; L406-F431 HydrophobicContact CD1-CE2 4.19Å; L406-F431 HydrophobicContact CD1-CZ 3.89Å; F408-F431 HydrophobicContact CD2-CD1 4.18Å; F408-F431 AromaticContact CD2-CE1 3.66Å; F408-F431 HydrophobicContact CD2-CE1 3.66Å; F408-F431 HydrophobicContact CE1-CE1 4.48Å; F408-F431 AromaticContact CE2-CD1 3.77Å; F408-F431 HydrophobicContact CE2-CD1 3.77Å; F408-F431 AromaticContact CE2-CE1 3.41Å; F408-F431 HydrophobicContact CE2-CE1 3.41Å; F408-F431 VanDerWaalsContact CE2-CE1 3.41Å; F408-F431 HydrophobicContact CG-CE1 4.32Å; F408-F431 HydrophobicContact CZ-CD1 4.46Å; F408-F431 AromaticContact CZ-CE1 3.87Å; F408-F431 HydrophobicContact CZ-CE1 3.87Å; R429-F431 HydrophobicContact CB-CE2 3.64Å; R429-F431 HydrophobicContact CB-CZ 3.78Å; F431-M438 HydrophobicContact CD1-CE 3.89Å; F431-M438 HydrophobicContact CG-CE 4.49Å; F431-G440 VanDerWaalsContact O-CA 3.26Å; F431-G440 WeakPolarHBondContact O-CA 3.45Å; F431-F441 HydrophobicContact CB-CB 4.06Å; F431-F441 HydrophobicContact CD2-CB 4.16Å; F431-F441 HydrophobicContact CG-CB 4.49Å; F431-F441 PolarHBondContact N-O 3.48Å; F431-F441 PolarHBondContact O-N 3.26Å; F431-V443 HydrophobicContact CE2-CG2 4.13Å
432	Y	96.4	Very high	95.9	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	17%	0.169	C	C	.	.			trans	-131.8	144.4	-179.8	-62.9	-69.8	0	0	0	110.1	F156 V381 L410 R430 H434 K435 H436	F156-Y432 AromaticContact CE1-CD1 3.87Å; F156-Y432 HydrophobicContact CE1-CD1 3.87Å; F156-Y432 AromaticContact CE1-CE1 3.51Å; F156-Y432 HydrophobicContact CE1-CE1 3.51Å; F156-Y432 HydrophobicContact CE1-CE2 4.25Å; F156-Y432 HydrophobicContact CE1-CG 4.35Å; F156-Y432 AromaticContact CE1-CZ 3.7Å; F156-Y432 AromaticContact CZ-CD1 3.67Å; F156-Y432 HydrophobicContact CZ-CD1 3.67Å; F156-Y432 AromaticContact CZ-CE1 3.42Å; F156-Y432 HydrophobicContact CZ-CE1 3.42Å; F156-Y432 VanDerWaalsContact CZ-CE1 3.42Å; F156-Y432 HydrophobicContact CZ-CG 4.49Å; V381-Y432 HydrophobicContact CB-CD1 4.41Å; V381-Y432 HydrophobicContact CB-CE1 3.98Å; V381-Y432 HydrophobicContact CG1-CD1 3.82Å; V381-Y432 HydrophobicContact CG1-CE1 3.88Å; L410-Y432 HydrophobicContact CD1-CD2 3.82Å; L410-Y432 HydrophobicContact CD1-CE2 3.79Å; R430-Y432 HydrophobicContact CB-CE2 4.14Å; R430-Y432 PolarHBondContact NE-OH 2.78Å; R430-Y432 PolarHBondContact NH2-OH 3.16Å; Y432-H434 WeakPolarHBondContact CB-CE1 3.45Å; Y432-H434 WeakPolarHBondContact CB-ND1 3.45Å; Y432-H434 AromaticContact CG-CE1 3.85Å; Y432-H434 PolarHBondContact O-N 3.16Å; Y432-K435 HydrophobicContact CD2-CD 4.39Å; Y432-K435 PolarHBondContact O-N 3.3Å; Y432-H436 PolarHBondContact N-ND1 3.38Å; Y432-H436 PolarHBondContact O-N 3.23Å; Y432-H436 PolarHBondContact O-ND1 2.8Å
433	P	94.5	Very high	96	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-51.8	-51.8	179.3	-28.4	36.7	0	0	0	114.4	F164 A167 K435 N437 M438	F164-P433 HydrophobicContact CD2-CG 4.48Å; F164-P433 HydrophobicContact CE2-CG 4.12Å; A167-P433 HydrophobicContact CB-CB 3.77Å; P433-K435 VanDerWaalsContact C-N 3.29Å; P433-K435 PolarHBondContact O-N 3.5Å; P433-N437 WeakPolarHBondContact O-CA 3.38Å; P433-N437 PolarHBondContact O-N 2.72Å; P433-M438 WeakPolarHBondContact CA-O 3.48Å
434	H	94	Very high	96	Very high	37 Å²	37	25.6 Å²	25.6	17%	0.171	12%	0.121	C	C	.	.	H	α-helix	trans	-67.5	-25.1	-177.3	59.3	-61.7	0	0	0	114.3	E160 E163 F164 A167 Y432	E160-H434 WeakPolarHBondContact CG-NE2 3.45Å; E160-H434 IonicContact OE1-CE1 2.59Å; E160-H434 IonicContact OE1-NE2 3.64Å; E160-H434 PolarHBondContact OE1-NE2 3.23Å; E163-H434 HydrophobicContact CB-CB 3.87Å; E163-H434 WeakPolarHBondContact O-CB 3.4Å; E163-H434 IonicContact OE2-CD2 2.74Å; F164-H434 AromaticContact CD2-CE1 3.84Å; F164-H434 AromaticContact CD2-ND1 3.63Å; A167-H434 HydrophobicContact CB-CB 3.82Å; Y432-H434 WeakPolarHBondContact CB-CE1 3.45Å; Y432-H434 WeakPolarHBondContact CB-ND1 3.45Å; Y432-H434 AromaticContact CG-CE1 3.85Å; Y432-H434 PolarHBondContact O-N 3.16Å
435	K	94.2	Very high	96.1	Very high	92 Å²	92	25.6 Å²	25.6	40%	0.4	12%	0.118	S	C	.	.	H	α-helix	trans	-95.2	-23.2	-178	-72.9	-176.3	169	170	0	114.7	E160 L410 Y432 P433	E160-K435 WeakPolarHBondContact OE1-CE 3.41Å; E160-K435 IonicContact OE1-NZ 2.66Å; E160-K435 PolarHBondContact OE1-NZ 2.69Å; E160-K435 IonicContact OE2-NZ 3.83Å; L410-K435 HydrophobicContact CD1-CD 3.59Å; L410-K435 HydrophobicContact CG-CD 4.37Å; Y432-K435 HydrophobicContact CD2-CD 4.39Å; Y432-K435 PolarHBondContact O-N 3.3Å; P433-K435 VanDerWaalsContact C-N 3.29Å; P433-K435 PolarHBondContact O-N 3.5Å
436	H	92.8	Very high	96.1	Very high	42 Å²	42	25.7 Å²	25.7	19%	0.194	12%	0.119	C	C	.	.	H	α-helix	trans	-132.1	-2.2	-170.1	-54	87.7	0	0	0	114	F408 Y432 M438	F408-H436 AromaticContact CD2-CD2 3.75Å; Y432-H436 PolarHBondContact N-ND1 3.38Å; Y432-H436 PolarHBondContact O-N 3.23Å; Y432-H436 PolarHBondContact O-ND1 2.8Å; H436-M438 HydrophobicContact CB-CE 4.01Å; H436-M438 WeakPolarHBondContact O-CG 3.34Å; H436-M438 PolarHBondContact O-N 3.5Å
437	N	90	Very high	96.2	Very high	90 Å²	90	22.3 Å²	22.3	48%	0.481	10%	0.104	S	C	.	.	S	Bend	trans	52.4	40.3	-175.4	-167	17.1	0	0	0	113	R172 P433	R172-N437 PolarHBondContact NH1-OD1 2.64Å; P433-N437 WeakPolarHBondContact O-CA 3.38Å; P433-N437 PolarHBondContact O-N 2.72Å
438	M	90.9	Very high	96.1	Very high	15 Å²	15	20.6 Å²	20.6	7%	0.074	10%	0.096	C	C	.	.	S	Bend	trans	-141.6	165.4	179.4	-67.1	-169.3	-57.6	0	0	109.8	W205 A235 L239 F408 F431 P433 H436 G440	W205-M438 HydrophobicContact CH2-SD 4.23Å; W205-M438 HydrophobicContact CZ2-SD 3.8Å; A235-M438 HydrophobicContact CB-CG 4.2Å; A235-M438 HydrophobicContact CB-SD 3.64Å; L239-M438 HydrophobicContact CD1-CE 4.13Å; F408-M438 HydrophobicContact CE2-CE 3.56Å; F408-M438 HydrophobicContact CZ-CE 3.84Å; F431-M438 HydrophobicContact CD1-CE 3.89Å; F431-M438 HydrophobicContact CG-CE 4.49Å; P433-M438 WeakPolarHBondContact CA-O 3.48Å; H436-M438 HydrophobicContact CB-CE 4.01Å; H436-M438 WeakPolarHBondContact O-CG 3.34Å; H436-M438 PolarHBondContact O-N 3.5Å; M438-G440 PolarHBondContact O-N 3.04Å
439	A	93	Very high	96	Very high	9 Å²	9	25.2 Å²	25.2	7%	0.074	12%	0.12	C	C	.	.			trans	-54.3	143.5	170.1	0	0	0	0	0	111.8	V330 F441	V330-A439 HydrophobicContact CG1-CB 3.88Å; A439-F441 PolarHBondContact O-N 2.85Å
440	G	95.4	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.			trans	-59.4	129.5	171.3	0	0	0	0	0	110.5	G329 F431 M438	G329-G440 PolarHBondContact O-N 2.76Å; F431-G440 VanDerWaalsContact O-CA 3.26Å; F431-G440 WeakPolarHBondContact O-CA 3.45Å; M438-G440 PolarHBondContact O-N 3.04Å
441	F	97.1	Very high	95.5	Very high	7 Å²	7	27 Å²	27	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152.8	-168.1	-145.5	-99.8	0	0	0	111.8	P240 T378 C379 F431 A439 V443	P240-F441 HydrophobicContact CG-CD1 4.48Å; P240-F441 HydrophobicContact CG-CE1 3.38Å; P240-F441 HydrophobicContact CG-CZ 3.85Å; T378-F441 WeakPolarHBondContact O-CA 3.34Å; T378-F441 VanDerWaalsContact O-CD2 3.28Å; T378-F441 WeakPolarHBondContact O-CD2 3.48Å; T378-F441 WeakPolarHBondContact O-CE2 3.33Å; T378-F441 WeakPolarHBondContact O-CG 3.34Å; C379-F441 HydrophobicContact CB-CD2 4.46Å; C379-F441 HydrophobicContact CB-CE2 4.33Å; F431-F441 HydrophobicContact CB-CB 4.06Å; F431-F441 HydrophobicContact CD2-CB 4.16Å; F431-F441 HydrophobicContact CG-CB 4.49Å; F431-F441 PolarHBondContact N-O 3.48Å; F431-F441 PolarHBondContact O-N 3.26Å; A439-F441 PolarHBondContact O-N 2.85Å; F441-V443 HydrophobicContact CD1-CG2 3.79Å; F441-V443 HydrophobicContact CE1-CG2 3.97Å
442	F	98.5	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.8	176.4	179	-103.2	0	0	0	110.6	Y376 S377 T378 N386 E387 I390 C428 R429 R430 A444	Y376-F442 HydrophobicContact CD1-CD1 4.13Å; Y376-F442 HydrophobicContact CD1-CE1 4.04Å; Y376-F442 HydrophobicContact CE1-CD1 4.15Å; Y376-F442 HydrophobicContact CE1-CE1 4.23Å; S377-F442 WeakPolarHBondContact CA-O 3.27Å; S377-F442 VanDerWaalsContact CB-O 3.22Å; S377-F442 WeakPolarHBondContact CB-O 3.17Å; T378-F442 PolarHBondContact N-O 2.99Å; T378-F442 VanDerWaalsContact N-O 3.16Å; T378-F442 PolarHBondContact O-N 2.69Å; N386-F442 HydrophobicContact CB-CB 4.3Å; N386-F442 HydrophobicContact CB-CD1 3.7Å; N386-F442 HydrophobicContact CB-CD2 3.79Å; N386-F442 HydrophobicContact CB-CE1 3.85Å; N386-F442 HydrophobicContact CB-CE2 3.94Å; N386-F442 HydrophobicContact CB-CG 3.66Å; N386-F442 HydrophobicContact CB-CZ 3.96Å; N386-F442 VanDerWaalsContact CG-CB 3.47Å; N386-F442 WeakPolarHBondContact ND2-CB 3.43Å; N386-F442 WeakPolarHBondContact OD1-CB 3.29Å; E387-F442 HydrophobicContact CG-CE2 4.47Å; I390-F442 HydrophobicContact CG1-CE1 3.95Å; I390-F442 HydrophobicContact CG1-CZ 4.24Å; C428-F442 HydrophobicContact CB-CE2 3.7Å; C428-F442 HydrophobicContact CB-CZ 3.74Å; R429-F442 WeakPolarHBondContact O-CA 3.44Å; R430-F442 HydrophobicContact CG-CD2 3.98Å; R430-F442 HydrophobicContact CG-CE2 4.34Å; F442-A444 HydrophobicContact CE1-CB 3.87Å; F442-A444 HydrophobicContact CZ-CB 4.16Å
443	V	98.6	Very high	94.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127.4	177.9	-172.2	0	0	0	0	110.3	L239 P240 A243 V375 T404 L406 C428 R429 F431 F441	L239-V443 HydrophobicContact CB-CG2 4.05Å; P240-V443 HydrophobicContact CG-CG2 4.28Å; A243-V443 HydrophobicContact CB-CG1 3.77Å; V375-V443 HydrophobicContact CG1-CG1 3.84Å; T404-V443 HydrophobicContact CG2-CG1 4.22Å; L406-V443 HydrophobicContact CD1-CB 4.23Å; L406-V443 HydrophobicContact CD1-CG1 4.27Å; L406-V443 HydrophobicContact CD1-CG2 4.33Å; C428-V443 WeakPolarHBondContact CA-O 3.41Å; R429-V443 PolarHBondContact N-O 2.99Å; R429-V443 PolarHBondContact O-N 3.22Å; F431-V443 HydrophobicContact CE2-CG2 4.13Å; F441-V443 HydrophobicContact CD1-CG2 3.79Å; F441-V443 HydrophobicContact CE1-CG2 3.97Å
444	A	98.6	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.5	172.7	0	0	0	0	0	110.1	V375 Y376 I390 C428 F442	V375-A444 WeakPolarHBondContact CA-O 3.37Å; Y376-A444 PolarHBondContact N-O 3.03Å; Y376-A444 PolarHBondContact O-N 3.28Å; I390-A444 HydrophobicContact CD1-CB 3.64Å; I390-A444 HydrophobicContact CG1-CB 3.84Å; C428-A444 HydrophobicContact CB-CB 4.4Å; C428-A444 VanDerWaalsContact SG-CB 3.54Å; F442-A444 HydrophobicContact CE1-CB 3.87Å; F442-A444 HydrophobicContact CZ-CB 4.16Å
445	K	98.7	Very high	92.5	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.096	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.4	175.7	-170.5	178.4	-175.5	162.9	0	109.6	A243 Y373 V375 V401 V402 T404	A243-K445 VanDerWaalsContact O-CD 3.26Å; A243-K445 WeakPolarHBondContact O-CD 3.31Å; A243-K445 WeakPolarHBondContact O-CE 3.45Å; A243-K445 PolarHBondContact O-NZ 3.5Å; Y373-K445 HydrophobicContact CD1-CG 4.38Å; V375-K445 HydrophobicContact CG2-CB 4.3Å; V375-K445 HydrophobicContact CG2-CG 4.06Å; V401-K445 WeakPolarHBondContact CA-O 3.28Å; V402-K445 HydrophobicContact CG2-CB 4.02Å; V402-K445 HydrophobicContact CG2-CD 3.9Å; V402-K445 HydrophobicContact CG2-CG 3.65Å; V402-K445 WeakPolarHBondContact CG2-O 3.21Å; V402-K445 PolarHBondContact N-O 3.32Å; T404-K445 HydrophobicContact CG2-CB 4.16Å
446	L	98.6	Very high	90.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.6	-178.3	-58.6	178	0	0	0	109.8	L357 I361 Y373 L374 I390 K400 V401	L357-L446 HydrophobicContact CD1-CD1 4.13Å; I361-L446 HydrophobicContact CD1-CD1 4.26Å; Y373-L446 CarbonylContact C-O 3.54Å; Y373-L446 VanDerWaalsContact CA-O 3.31Å; Y373-L446 WeakPolarHBondContact CA-O 3.35Å; L374-L446 HydrophobicContact CB-CB 4.39Å; L374-L446 HydrophobicContact CD2-CD1 4.25Å; L374-L446 PolarHBondContact N-O 3.11Å; L374-L446 PolarHBondContact O-N 3.08Å; I390-L446 HydrophobicContact CD1-CD1 4.46Å; I390-L446 HydrophobicContact CG2-CD2 4.23Å; K400-L446 CarbonylContact O-C 3.58Å; K400-L446 WeakPolarHBondContact O-CA 3.43Å; V401-L446 HydrophobicContact CB-CD2 4.24Å; V401-L446 HydrophobicContact CG2-CD2 3.67Å
447	K	98	Very high	88.5	Confident	46 Å²	46	48.7 Å²	48.7	20%	0.2	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.4	165.8	-176.8	89.9	179.4	-179.4	0	108.3	G371 G372 Y373 V399 K400 V402	G371-K447 PolarHBondContact O-NZ 3.11Å; G372-K447 WeakPolarHBondContact O-CA 3.32Å; Y373-K447 HydrophobicContact CD1-CB 4.21Å; Y373-K447 HydrophobicContact CD1-CD 3.75Å; Y373-K447 HydrophobicContact CE1-CB 4.06Å; Y373-K447 HydrophobicContact CE1-CD 3.2Å; Y373-K447 HydrophobicContact CE1-CG 4.22Å; Y373-K447 HydrophobicContact CE2-CD 4.05Å; Y373-K447 HydrophobicContact CG-CD 4.38Å; Y373-K447 VanDerWaalsContact CZ-NZ 3.26Å; Y373-K447 PolarHBondContact OH-NZ 3.42Å; V399-K447 VanDerWaalsContact CA-O 3.29Å; V399-K447 WeakPolarHBondContact CA-O 3.47Å; K400-K447 HydrophobicContact CG-CB 4.02Å; K400-K447 PolarHBondContact N-O 3.19Å; K400-K447 PolarHBondContact O-N 2.97Å; V402-K447 HydrophobicContact CG1-CB 3.79Å
448	K	97.5	Very high	86.1	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.039	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.7	171.5	-170	176.1	177.4	173.8	0	110.4	I361 D362 V364 A366 G372 V399 S450	I361-K448 HydrophobicContact CG2-CD 4.33Å; I361-K448 WeakPolarHBondContact O-CD 3.37Å; I361-K448 WeakPolarHBondContact O-CE 3.44Å; I361-K448 PolarHBondContact O-NZ 3.49Å; D362-K448 PolarHBondContact O-NZ 3.24Å; V364-K448 HydrophobicContact CB-CB 4.34Å; V364-K448 HydrophobicContact CB-CD 3.8Å; V364-K448 HydrophobicContact CG1-CB 3.88Å; V364-K448 HydrophobicContact CG1-CD 4.05Å; V364-K448 VanDerWaalsContact O-CD 3.3Å; V364-K448 WeakPolarHBondContact O-CD 3.48Å; V364-K448 WeakPolarHBondContact O-CE 3.07Å; V364-K448 PolarHBondContact O-NZ 3.04Å; A366-K448 HydrophobicContact CB-CB 4.37Å; A366-K448 HydrophobicContact CB-CD 4.23Å; A366-K448 HydrophobicContact CB-CG 4Å; G372-K448 PolarHBondContact O-N 2.96Å; V399-K448 HydrophobicContact CG1-CB 4.35Å; V399-K448 HydrophobicContact CG1-CG 4.38Å; K448-S450 WeakPolarHBondContact CE-O 3.38Å
449	L	96.1	Very high	83.5	Confident	97 Å²	97	52.6 Å²	52.6	51%	0.508	33%	0.325	S	S	.	.			trans	-96.2	-34.1	-173.7	-55.7	178.5	0	0	0	112.7	P398 K400	P398-L449 HydrophobicContact CB-CB 4.3Å; P398-L449 WeakPolarHBondContact O-CB 3.44Å; P398-L449 PolarHBondContact O-N 2.96Å; K400-L449 HydrophobicContact CD-CD2 3.94Å; K400-L449 HydrophobicContact CG-CD2 3.97Å
450	S	94.9	Very high	80.6	Confident	47 Å²	47	61.9 Å²	61.9	33%	0.329	36%	0.363	S	S	.	.			trans	-148.7	151.7	178.2	69.8	0	0	0	0	112.7	P398 K448	P398-S450 WeakPolarHBondContact CB-OG 3.37Å; P398-S450 WeakPolarHBondContact CG-OG 3.23Å; K448-S450 WeakPolarHBondContact CE-O 3.38Å
451	N	90.6	Very high	77.9	Confident	43 Å²	43	65.9 Å²	65.9	23%	0.23	39%	0.388	C	S	.	.	S	Bend	trans	-80.9	-36.5	-177.9	-82.9	-28.9	0	0	0	115.4	V364 N365 A366 N367 K453	V364-N451 PolarHBondContact O-OD1 3Å; N365-N451 PolarHBondContact OD1-ND2 2.88Å; A366-N451 WeakPolarHBondContact CB-OD1 3.48Å; A366-N451 PolarHBondContact N-OD1 3.1Å; N367-N451 PolarHBondContact ND2-ND2 3.18Å; N451-K453 PolarHBondContact O-N 3.39Å
452	P	86.6	Confident	74.9	Confident	100 Å²	100	70 Å²	70	65%	0.649	42%	0.417	S	S	*	.	S	Bend	trans	-58.9	134.5	176.9	-25.1	35.2	0	0	0	111.7
453	K	80.4	Confident	71.8	Confident	120 Å²	120	74.5 Å²	74.5	52%	0.522	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-74.3	131.1	173.5	-62.1	-168.4	-173.6	-159.1	0	108.6	D362 N451 A455	D362-K453 VanDerWaalsContact CG-CE 3.42Å; D362-K453 WeakPolarHBondContact OD2-CE 3.26Å; D362-K453 IonicContact OD2-NZ 3.3Å; D362-K453 PolarHBondContact OD2-NZ 2.94Å; N451-K453 PolarHBondContact O-N 3.39Å; K453-A455 PolarHBondContact O-N 3.19Å
454	P	78.7	Confident	69	Low	60 Å²	60	78.8 Å²	78.8	39%	0.39	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-56.4	139.5	170.3	-22	32.6	0	0	0	109.8	T456	P454-T456 PolarHBondContact O-N 3.29Å
455	A	72.3	Confident	66	Low	86 Å²	86	84.1 Å²	84.1	71%	0.711	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-54.4	133.3	168.6	0	0	0	0	0	108.3	K453 N457	K453-A455 PolarHBondContact O-N 3.19Å; A455-N457 VanDerWaalsContact C-N 3.26Å; A455-N457 PolarHBondContact O-N 2.62Å
456	T	57.7	Low	62.7	Low	126 Å²	126	87.1 Å²	87.1	77%	0.773	52%	0.52	S	S	*	.			trans	-65.1	88.7	175.7	34.5	0	0	0	0	109	P454 S458	P454-T456 PolarHBondContact O-N 3.29Å; T456-S458 PolarHBondContact O-N 3.16Å; T456-S458 VanDerWaalsContact O-N 3.1Å
457	N	47	Very low	59.5	Low	143 Å²	143	99.3 Å²	99.3	77%	0.765	58%	0.576	S	S	*	*			trans	-65.6	111.1	163.8	-83.7	-4.3	0	0	0	106.9	A455 G459	A455-N457 VanDerWaalsContact C-N 3.26Å; A455-N457 PolarHBondContact O-N 2.62Å; N457-G459 PolarHBondContact O-N 3.17Å
458	S	39.4	Very low	57.6	Low	133 Å²	133	102 Å²	102	93%	0.93	60%	0.595	S	S	*	*			trans	-67.2	28.4	167	47.1	0	0	0	0	112.4	T456	T456-S458 PolarHBondContact O-N 3.16Å; T456-S458 VanDerWaalsContact O-N 3.1Å
459	G	34.8	Very low	55.5	Low	55 Å²	55	106.8 Å²	106.8	57%	0.567	63%	0.625	S	S	*	*			trans	-91.6	107.6	-176.2	0	0	0	0	0	111.7	N457	N457-G459 PolarHBondContact O-N 3.17Å
460	K	32.6	Very low	53.2	Low	203 Å²	203	107.4 Å²	107.4	88%	0.883	63%	0.631	S	S	*	*			trans	34.4	85.1	155	-65.2	-179.9	178.4	178.8	0	115.6	S462	K460-S462 PolarHBondContact O-N 2.98Å; K460-S462 VanDerWaalsContact O-N 3.16Å
461	V	39.6	Very low	50.8	Low	84 Å²	84	110.9 Å²	110.9	51%	0.509	65%	0.649	S	S	.	*			trans	-69.8	104.9	155.8	178.7	0	0	0	0	106.5	S463	V461-S463 PolarHBondContact O-N 2.72Å
462	S	33.2	Very low	48.3	Very low	94 Å²	94	115.2 Å²	115.2	66%	0.657	68%	0.675	S	S	*	*			trans	-64	98.7	165.5	30.3	0	0	0	0	107.9	K460 V464	K460-S462 PolarHBondContact O-N 2.98Å; K460-S462 VanDerWaalsContact O-N 3.16Å; S462-V464 VanDerWaalsContact C-N 3.27Å; S462-V464 PolarHBondContact O-N 3.27Å
463	S	34.5	Very low	45.7	Very low	95 Å²	95	116.2 Å²	116.2	66%	0.664	68%	0.677	S	S	*	*			trans	-69.2	87.6	170.7	62.4	0	0	0	0	108.6	V461	V461-S463 PolarHBondContact O-N 2.72Å
464	V	38.9	Very low	43.2	Very low	89 Å²	89	115.9 Å²	115.9	54%	0.539	69%	0.688	S	S	.	*			trans	-84.2	-3.8	171.7	-174.9	0	0	0	0	111.3	S462	S462-V464 VanDerWaalsContact C-N 3.27Å; S462-V464 PolarHBondContact O-N 3.27Å
465	Y	36.8	Very low	40.5	Very low	112 Å²	112	120.2 Å²	120.2	44%	0.439	71%	0.711	S	S	.	*			trans	-106.9	66.4	-177.2	-55.3	-72.2	0	0	0	112	R420 F421	R420-Y465 PolarHBondContact O-OH 3.08Å; F421-Y465 VanDerWaalsContact CD1-OH 3.29Å; F421-Y465 WeakPolarHBondContact CD1-OH 3.09Å; F421-Y465 AromaticContact CE1-CE1 3.83Å; F421-Y465 HydrophobicContact CE1-CE1 3.83Å; F421-Y465 HydrophobicContact CE1-CE2 4.32Å; F421-Y465 AromaticContact CE1-CZ 3.47Å; F421-Y465 VanDerWaalsContact CE1-CZ 3.47Å; F421-Y465 WeakPolarHBondContact CE1-OH 3.11Å; F421-Y465 AromaticContact CZ-CE1 3.92Å; F421-Y465 HydrophobicContact CZ-CE1 3.92Å
466	S	29.3	Very low	37.9	Very low	86 Å²	86	123.1 Å²	123.1	60%	0.601	71%	0.711	S	S	*	*			trans	-147.8	92	156.6	63.7	0	0	0	0	108.3
467	Q	30.6	Very low	36.1	Very low	257 Å²	257	122.8 Å²	122.8	100%	1.201	71%	0.705	S	S	*	*			trans	-169.5	0	149.3	-104.3	170.7	35.6	0	0	109

Retrieved 467 of 467 residues in 152.4 ms (Link to these results)

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