A0A077ZI72_TRITR Loading...

Phage ASH and Phage pRha domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZI72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 586 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	30.7	Very low	26	Very low	231 Å²	231	137.3 Å²	137.3	100%	1.138	82%	0.815	S	S	*	*				0	82.4	0	-80.8	175.5	170.3	0	0	105.5
2	D	26.3	Very low	25.8	Very low	153 Å²	153	143 Å²	143	82%	0.818	81%	0.812	S	S	*	*			trans	-143.2	113	-162	-57.9	-85.7	0	0	0	107.3
3	I	29.7	Very low	25.6	Very low	169 Å²	169	144.5 Å²	144.5	87%	0.867	81%	0.811	S	S	*	*			trans	-120.8	96.9	176.1	-57.9	-179.7	0	0	0	106.9
4	S	25.2	Very low	25.5	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	80%	0.795	S	S	*	*			trans	-64.3	133.4	167.7	-177.6	0	0	0	0	109.6	A6	S4-A6 PolarHBondContact O-N 2.86Å
5	P	31.6	Very low	25.4	Very low	125 Å²	125	139.6 Å²	139.6	81%	0.812	79%	0.785	S	S	*	*			trans	-75	105.4	174.4	29.6	-31.8	0	0	0	110.7
6	A	24.3	Very low	25.2	Very low	85 Å²	85	145.9 Å²	145.9	70%	0.702	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78.4	162.5	165.6	0	0	0	0	0	110.7	S4	S4-A6 PolarHBondContact O-N 2.86Å
7	P	24.5	Very low	25.3	Very low	121 Å²	121	146.9 Å²	146.9	79%	0.786	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81	150.7	-145.7	31.2	-36.9	0	0	0	115.8
8	V	24.4	Very low	25.2	Very low	143 Å²	143	142.6 Å²	142.6	87%	0.867	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-80.2	125.4	174.4	177.8	0	0	0	0	110.6
9	I	22.4	Very low	25.3	Very low	150 Å²	150	143.5 Å²	143.5	77%	0.769	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.9	127.1	172.9	-62.8	169.9	0	0	0	108.7
10	A	23.9	Very low	25.3	Very low	98 Å²	98	140.9 Å²	140.9	81%	0.81	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-102.9	117.8	177.7	0	0	0	0	0	111.2
11	I	22.9	Very low	25.4	Very low	132 Å²	132	137.3 Å²	137.3	68%	0.677	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-93.5	134.3	178.5	-59.4	177.2	0	0	0	110
12	R	23	Very low	25.3	Very low	206 Å²	206	132.9 Å²	132.9	78%	0.777	75%	0.748	S	S	*	*			trans	-110.4	92.9	-168.6	-173.4	-170.2	-170.1	-170.1	6.6	111.7
13	M	23.2	Very low	25.4	Very low	163 Å²	163	128.2 Å²	128.2	80%	0.803	73%	0.727	S	S	*	*			trans	-84.1	133.6	169.6	-79.5	-166.7	165.4	0	0	111.8
14	S	24.2	Very low	25.3	Very low	83 Å²	83	127 Å²	127	58%	0.58	72%	0.721	S	S	*	*			trans	-131.3	103.5	-177.8	-58.3	0	0	0	0	110.5
15	M	24	Very low	25.5	Very low	132 Å²	132	126.7 Å²	126.7	65%	0.65	71%	0.71	S	S	*	*			trans	-93.8	127.1	170.3	-76.1	-170.2	174.3	0	0	110.7	F17	M15-F17 PolarHBondContact O-N 3.43Å
16	R	23.2	Very low	25.2	Very low	241 Å²	241	125.5 Å²	125.5	91%	0.909	70%	0.703	S	S	*	*			trans	-99.9	85.7	-169.5	-157.1	179	-164.1	176.3	4.7	111.3
17	F	25.8	Very low	25.3	Very low	162 Å²	162	128 Å²	128	71%	0.711	70%	0.701	S	S	*	*			trans	-78.8	156.3	161.4	-79.3	-90.7	0	0	0	110.3	M15 V19	M15-F17 PolarHBondContact O-N 3.43Å; F17-V19 PolarHBondContact O-N 3.38Å
18	G	24.3	Very low	25.4	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	126	-173.2	0	0	0	0	0	113.2	S20	G18-S20 PolarHBondContact O-N 3.17Å
19	V	26.3	Very low	25.5	Very low	160 Å²	160	123.8 Å²	123.8	97%	0.97	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.6	-5.9	174.7	-141.2	0	0	0	0	117.4	F17	F17-V19 PolarHBondContact O-N 3.38Å
20	S	26.8	Very low	25.7	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	70%	0.699	S	S	*	*			trans	-140.7	118.7	178.8	-66.6	0	0	0	0	112	G18	G18-S20 PolarHBondContact O-N 3.17Å
21	T	27.2	Very low	25.7	Very low	67 Å²	67	127.9 Å²	127.9	41%	0.411	69%	0.694	S	S	.	*			trans	-91	112.9	173.2	-51.3	0	0	0	0	109.6	C23	T21-C23 PolarHBondContact O-N 2.89Å
22	L	28	Very low	25.9	Very low	137 Å²	137	128.8 Å²	128.8	72%	0.717	70%	0.699	S	S	*	*			trans	-76.6	115.2	167.5	-175.2	70.7	0	0	0	108.6	I24	L22-I24 HydrophobicContact CD2-CD1 4.37Å; L22-I24 HydrophobicContact CD2-CG1 4.34Å; L22-I24 HydrophobicContact CG-CG1 4.33Å
23	C	28.4	Very low	26.1	Very low	55 Å²	55	122.4 Å²	122.4	37%	0.372	68%	0.683	S	S	.	*			trans	-103.6	115.5	173.4	-164.4	0	0	0	0	109	T21	T21-C23 PolarHBondContact O-N 2.89Å
24	I	28.4	Very low	26.3	Very low	145 Å²	145	123.7 Å²	123.7	74%	0.744	69%	0.685	S	S	*	*			trans	-96.8	106.5	173.1	-58	176.3	0	0	0	107.1	L22	L22-I24 HydrophobicContact CD2-CD1 4.37Å; L22-I24 HydrophobicContact CD2-CG1 4.34Å; L22-I24 HydrophobicContact CG-CG1 4.33Å
25	I	28.1	Very low	26.5	Very low	96 Å²	96	123 Å²	123	49%	0.492	68%	0.679	S	S	.	*			trans	-100.3	103.3	173.1	-56.5	177.6	0	0	0	107.1	Q27	I25-Q27 PolarHBondContact O-N 2.97Å
26	C	26.8	Very low	26.6	Very low	99 Å²	99	123.4 Å²	123.4	67%	0.669	68%	0.683	S	S	*	*			trans	-84.1	91.7	173.1	-161.4	0	0	0	0	108.7	N175	C26-N175 PolarHBondContact SG-ND2 3.07Å
27	Q	26.4	Very low	26.8	Very low	139 Å²	139	115 Å²	115	65%	0.65	66%	0.659	S	S	*	*			trans	-85.4	148	176.4	-152.1	167.5	3.4	0	0	110.3	I25 G29	I25-Q27 PolarHBondContact O-N 2.97Å; Q27-G29 PolarHBondContact O-N 3.13Å; Q27-G29 VanDerWaalsContact O-N 3.13Å
28	S	25.3	Very low	26.7	Very low	115 Å²	115	111.2 Å²	111.2	80%	0.804	66%	0.658	S	S	*	*	S	Bend	trans	-70.8	106.8	-171	57.5	0	0	0	0	112.8
29	G	27.4	Very low	26.8	Very low	59 Å²	59	115.8 Å²	115.8	61%	0.608	66%	0.658	S	S	*	*	S	Bend	trans	163.8	172.1	175.5	0	0	0	0	0	111.6	Q27 E31	Q27-G29 PolarHBondContact O-N 3.13Å; Q27-G29 VanDerWaalsContact O-N 3.13Å; G29-E31 PolarHBondContact O-N 3.02Å
30	N	25.1	Very low	26.6	Very low	183 Å²	183	111.5 Å²	111.5	98%	0.979	64%	0.639	S	S	*	*	S	Bend	trans	-75.6	21	179.4	-73	-5.7	0	0	0	113.8
31	E	24.2	Very low	26.4	Very low	152 Å²	152	113.5 Å²	113.5	71%	0.71	65%	0.65	S	S	*	*			trans	-124.2	115.1	-176.1	-67.7	-170.1	146.3	0	0	111.4	G29 T33	G29-E31 PolarHBondContact O-N 3.02Å; E31-T33 PolarHBondContact O-N 3.08Å
32	I	27.8	Very low	26.3	Very low	150 Å²	150	116.4 Å²	116.4	77%	0.769	67%	0.668	S	S	*	*			trans	-81.4	100.3	168.8	-59.6	175.3	0	0	0	108	F34	I32-F34 HydrophobicContact CG2-CD2 4.5Å; I32-F34 HydrophobicContact CG2-CE1 4.5Å; I32-F34 HydrophobicContact CG2-CE2 3.98Å; I32-F34 HydrophobicContact CG2-CZ 3.98Å
33	T	26.9	Very low	26.1	Very low	73 Å²	73	114 Å²	114	45%	0.448	67%	0.668	S	S	.	*			trans	-90	113.8	176.2	34.9	0	0	0	0	111.7	E31 S35	E31-T33 PolarHBondContact O-N 3.08Å; T33-S35 PolarHBondContact O-N 2.98Å
34	F	28.2	Very low	25.8	Very low	190 Å²	190	116.6 Å²	116.6	83%	0.833	69%	0.693	S	S	*	*			trans	-80.4	108.5	172.9	-63.6	-87.4	0	0	0	110.5	I32	I32-F34 HydrophobicContact CG2-CD2 4.5Å; I32-F34 HydrophobicContact CG2-CE1 4.5Å; I32-F34 HydrophobicContact CG2-CE2 3.98Å; I32-F34 HydrophobicContact CG2-CZ 3.98Å
35	S	27.5	Very low	25.6	Very low	67 Å²	67	114.1 Å²	114.1	47%	0.469	69%	0.689	S	S	.	*			trans	-104	105.9	170	-74.4	0	0	0	0	111.3	T33 V37	T33-S35 PolarHBondContact O-N 2.98Å; S35-V37 PolarHBondContact O-N 3.49Å; S35-V37 VanDerWaalsContact O-N 3.07Å
36	L	26	Very low	25.3	Very low	141 Å²	141	121.2 Å²	121.2	74%	0.738	71%	0.709	S	S	*	*			trans	-76.9	89.9	170.9	-167	85.8	0	0	0	109.6	A38	L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.47Å
37	V	27.4	Very low	25	Very low	64 Å²	64	124.2 Å²	124.2	39%	0.388	72%	0.719	S	S	.	*			trans	-77.4	83.1	174.9	-172.8	0	0	0	0	109.8	S35 F39	S35-V37 PolarHBondContact O-N 3.49Å; S35-V37 VanDerWaalsContact O-N 3.07Å; V37-F39 HydrophobicContact CG1-CD2 3.87Å; V37-F39 HydrophobicContact CG1-CE2 3.58Å; V37-F39 HydrophobicContact CG1-CZ 4.22Å; V37-F39 PolarHBondContact O-N 3.36Å
38	A	25.2	Very low	24.9	Very low	84 Å²	84	120.9 Å²	120.9	69%	0.694	72%	0.715	S	S	*	*			trans	-73.2	102.6	168.4	0	0	0	0	0	109.6	L36 A40	L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.47Å; A38-A40 PolarHBondContact O-N 3.48Å; A38-A40 VanDerWaalsContact O-N 3.07Å
39	F	25.3	Very low	24.8	Very low	165 Å²	165	124 Å²	124	72%	0.724	72%	0.723	S	S	*	*			trans	-70.7	101.5	169.1	-85.2	-85.5	0	0	0	109.8	V37	V37-F39 HydrophobicContact CG1-CD2 3.87Å; V37-F39 HydrophobicContact CG1-CE2 3.58Å; V37-F39 HydrophobicContact CG1-CZ 4.22Å; V37-F39 PolarHBondContact O-N 3.36Å
40	A	22.8	Very low	24.6	Very low	70 Å²	70	125.4 Å²	125.4	58%	0.579	72%	0.724	S	S	*	*			trans	-62.4	144.5	159.5	0	0	0	0	0	109.5	A38 V42	A38-A40 PolarHBondContact O-N 3.48Å; A38-A40 VanDerWaalsContact O-N 3.07Å; A40-V42 VanDerWaalsContact C-N 3.3Å; A40-V42 HydrophobicContact CB-CG2 4.43Å; A40-V42 PolarHBondContact O-N 3.44Å
41	P	22.9	Very low	24.5	Very low	132 Å²	132	124 Å²	124	86%	0.857	72%	0.721	S	S	*	*			trans	-74.7	84.8	176.8	31.5	-34.1	0	0	0	109.9
42	V	24.3	Very low	24.4	Very low	129 Å²	129	121.6 Å²	121.6	78%	0.782	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-102.5	137.5	169.4	-177.6	0	0	0	0	108.6	A40	A40-V42 VanDerWaalsContact C-N 3.3Å; A40-V42 HydrophobicContact CB-CG2 4.43Å; A40-V42 PolarHBondContact O-N 3.44Å
43	A	24	Very low	24.3	Very low	86 Å²	86	119.3 Å²	119.3	71%	0.711	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-59.6	157	-170.3	0	0	0	0	0	113.6	S45	A43-S45 PolarHBondContact O-N 3.17Å
44	A	22.2	Very low	24	Very low	109 Å²	109	121.4 Å²	121.4	90%	0.901	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-63.9	116.6	178.3	0	0	0	0	0	111.9
45	S	23	Very low	23.8	Very low	94 Å²	94	122.3 Å²	122.3	66%	0.657	74%	0.741	S	S	*	*			trans	-137.1	134.1	156.5	66.6	0	0	0	0	109.6	A43	A43-S45 PolarHBondContact O-N 3.17Å
46	W	21.9	Very low	23.5	Very low	244 Å²	244	125.1 Å²	125.1	92%	0.924	75%	0.75	S	S	*	*	S	Bend	trans	-68.6	147	170.4	-70.3	13	0	0	0	109.8
47	N	22.2	Very low	23.3	Very low	162 Å²	162	123.3 Å²	123.3	87%	0.866	75%	0.75	S	S	*	*			trans	61.4	93.3	179.4	-57.7	-12.3	0	0	0	116
48	A	24.3	Very low	23.3	Very low	70 Å²	70	125.9 Å²	125.9	58%	0.579	76%	0.76	S	S	*	*			trans	-152.1	94.5	162.7	0	0	0	0	0	111.8	S50	A48-S50 PolarHBondContact O-N 3.49Å; A48-S50 PolarHBondContact O-OG 3.38Å
49	D	22.1	Very low	23.2	Very low	179 Å²	179	128.6 Å²	128.6	96%	0.957	76%	0.762	S	S	*	*			trans	-66.1	99.6	168.4	-69.1	-51.6	0	0	0	110.3
50	S	23.8	Very low	23.1	Very low	90 Å²	90	124.2 Å²	124.2	63%	0.629	75%	0.753	S	S	*	*			trans	-155.9	69.5	178.5	49	0	0	0	0	113.4	A48 S52	A48-S50 PolarHBondContact O-N 3.49Å; A48-S50 PolarHBondContact O-OG 3.38Å; S50-S52 VanDerWaalsContact C-N 3.34Å; S50-S52 PolarHBondContact O-N 3Å
51	T	22.8	Very low	23.3	Very low	152 Å²	152	126.3 Å²	126.3	93%	0.933	75%	0.753	S	S	*	*			trans	-64	89.5	164.8	46.3	0	0	0	0	110.9
52	S	22.7	Very low	23.4	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	75%	0.751	S	S	*	*			trans	-95.4	97.2	171.8	46.8	0	0	0	0	110.6	S50 V54	S50-S52 VanDerWaalsContact C-N 3.34Å; S50-S52 PolarHBondContact O-N 3Å; S52-V54 PolarHBondContact O-N 3.06Å
53	A	24	Very low	23.5	Very low	102 Å²	102	130.6 Å²	130.6	84%	0.843	75%	0.746	S	S	*	*			trans	-73.7	107.1	176	0	0	0	0	0	110.8	K55	A53-K55 PolarHBondContact O-N 3.17Å
54	V	22.3	Very low	23.6	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.715	75%	0.745	S	S	*	*			trans	-85.2	109.3	174.6	-177.9	0	0	0	0	109.7	S52 L56	S52-V54 PolarHBondContact O-N 3.06Å; V54-L56 HydrophobicContact CG1-CG 4.34Å; V54-L56 PolarHBondContact O-N 3.25Å
55	K	22.8	Very low	23.9	Very low	209 Å²	209	131.8 Å²	131.8	91%	0.909	73%	0.734	S	S	*	*			trans	-83.5	100	178.4	-170.8	176.9	-176.6	177.5	0	110.6	A53	A53-K55 PolarHBondContact O-N 3.17Å
56	L	21.5	Very low	24.1	Very low	126 Å²	126	131.8 Å²	131.8	66%	0.66	73%	0.729	S	S	*	*			trans	-91.9	118	171.8	-71.9	167.2	0	0	0	110.3	V54	V54-L56 HydrophobicContact CG1-CG 4.34Å; V54-L56 PolarHBondContact O-N 3.25Å
57	S	22.4	Very low	24.2	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	72%	0.722	S	S	*	*			trans	-80	123.3	167.7	-157.5	0	0	0	0	109.1	D59	S57-D59 PolarHBondContact OG-OD1 3.19Å
58	I	27.4	Very low	24.3	Very low	118 Å²	118	125.9 Å²	125.9	61%	0.605	71%	0.712	S	S	*	*			trans	-110.2	82.8	178.9	-55	178.1	0	0	0	107.9	S60 I61	I58-S60 PolarHBondContact O-N 3.19Å; I58-I61 HydrophobicContact CG2-CD1 4.11Å; I58-I61 HydrophobicContact CG2-CG1 4.2Å
59	D	22.1	Very low	24.3	Very low	140 Å²	140	126.7 Å²	126.7	75%	0.749	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	34.3	-172.1	-69.5	9	0	0	0	114	S57	S57-D59 PolarHBondContact OG-OD1 3.19Å
60	S	23.6	Very low	24.5	Very low	74 Å²	74	124.7 Å²	124.7	52%	0.517	70%	0.703	S	S	.	*	T	Hydrogen-bonded Turn	trans	-153.7	29.4	-175	-54.8	0	0	0	0	115.1	I58 R324	I58-S60 PolarHBondContact O-N 3.19Å; S60-R324 PolarHBondContact O-NH2 3.46Å
61	I	27.3	Very low	24.6	Very low	113 Å²	113	127.3 Å²	127.3	58%	0.579	72%	0.716	S	S	*	*			trans	-127.8	115.8	168.3	-56.3	178.5	0	0	0	108	I58 I63	I58-I61 HydrophobicContact CG2-CD1 4.11Å; I58-I61 HydrophobicContact CG2-CG1 4.2Å; I61-I63 VanDerWaalsContact C-N 3.3Å; I61-I63 HydrophobicContact CB-CG1 4.38Å; I61-I63 HydrophobicContact CG2-CG1 3.75Å; I61-I63 PolarHBondContact O-N 3.41Å
62	R	23.7	Very low	24.8	Very low	220 Å²	220	123.3 Å²	123.3	83%	0.83	69%	0.694	S	S	*	*			trans	-73.7	88.3	166.5	-83	-168.4	176.3	-159	0.9	108.7	V64	R62-V64 PolarHBondContact O-N 3.47Å
63	I	27.6	Very low	25	Very low	132 Å²	132	123.5 Å²	123.5	68%	0.677	70%	0.702	S	S	*	*			trans	-76.1	105.3	166.4	-54.5	178.3	0	0	0	106.9	I61 T65	I61-I63 VanDerWaalsContact C-N 3.3Å; I61-I63 HydrophobicContact CB-CG1 4.38Å; I61-I63 HydrophobicContact CG2-CG1 3.75Å; I61-I63 PolarHBondContact O-N 3.41Å; I63-T65 PolarHBondContact O-N 3.26Å
64	V	26.2	Very low	25.1	Very low	113 Å²	113	125.1 Å²	125.1	69%	0.685	70%	0.696	S	S	*	*			trans	-87	86.5	171.1	-176.1	0	0	0	0	108	R62 V66	R62-V64 PolarHBondContact O-N 3.47Å; V64-V66 HydrophobicContact CG1-CG2 3.91Å; V64-V66 PolarHBondContact O-N 3.35Å
65	T	27.6	Very low	25.2	Very low	107 Å²	107	123 Å²	123	66%	0.656	70%	0.698	S	S	*	*			trans	-76	99.9	173	-51.3	0	0	0	0	109.3	I63 L67	I63-T65 PolarHBondContact O-N 3.26Å; T65-L67 HydrophobicContact CG2-CG 4.5Å; T65-L67 PolarHBondContact O-N 2.99Å
66	V	26.9	Very low	25.4	Very low	94 Å²	94	119.5 Å²	119.5	57%	0.57	68%	0.683	S	S	*	*			trans	-88.1	98.7	170.9	-168.2	0	0	0	0	109	V64 M68	V64-V66 HydrophobicContact CG1-CG2 3.91Å; V64-V66 PolarHBondContact O-N 3.35Å; V66-M68 HydrophobicContact CG1-CE 3.72Å; V66-M68 HydrophobicContact CG1-CG 3.93Å; V66-M68 HydrophobicContact CG1-SD 4.31Å; V66-M68 PolarHBondContact O-N 3.15Å
67	L	24.1	Very low	25.7	Very low	145 Å²	145	121 Å²	121	76%	0.759	69%	0.691	S	S	*	*			trans	-76.7	100.6	166.7	-88.6	155.1	0	0	0	108.9	T65	T65-L67 HydrophobicContact CG2-CG 4.5Å; T65-L67 PolarHBondContact O-N 2.99Å
68	M	24.8	Very low	26.1	Very low	137 Å²	137	119.9 Å²	119.9	68%	0.675	68%	0.68	S	S	*	*			trans	-96.9	86.7	165.4	-70.7	-57.9	-177.3	0	0	109.3	V66	V66-M68 HydrophobicContact CG1-CE 3.72Å; V66-M68 HydrophobicContact CG1-CG 3.93Å; V66-M68 HydrophobicContact CG1-SD 4.31Å; V66-M68 PolarHBondContact O-N 3.15Å
69	S	24.4	Very low	26.2	Very low	87 Å²	87	117.3 Å²	117.3	61%	0.608	67%	0.673	S	S	*	*			trans	-109.6	88.4	170.9	54.4	0	0	0	0	109.1
70	D	25.3	Very low	26.6	Very low	136 Å²	136	117.4 Å²	117.4	73%	0.727	67%	0.669	S	S	*	*			trans	173.5	145.4	131	-86.3	-18.2	0	0	0	111.2	S72 F76	D70-S72 PolarHBondContact O-N 3.33Å; D70-F76 WeakPolarHBondContact O-CE2 3.36Å; D70-F76 WeakPolarHBondContact O-CZ 3.35Å
71	T	26.7	Very low	27	Very low	146 Å²	146	121 Å²	121	90%	0.896	68%	0.675	S	S	*	*			trans	-89.9	94.5	178.1	45.7	0	0	0	0	110.5
72	S	26.3	Very low	27.3	Very low	68 Å²	68	119.6 Å²	119.6	48%	0.476	67%	0.668	S	S	.	*			trans	-98.7	138.9	168.1	173.8	0	0	0	0	110.2	D70 D74	D70-S72 PolarHBondContact O-N 3.33Å; S72-D74 VanDerWaalsContact C-N 3.3Å; S72-D74 PolarHBondContact OG-N 3.46Å; S72-D74 PolarHBondContact OG-O 3.23Å
73	A	27.5	Very low	27.7	Very low	106 Å²	106	110.9 Å²	110.9	88%	0.876	64%	0.64	S	S	*	*	S	Bend	trans	-75.3	-20.1	178.5	0	0	0	0	0	113.2
74	D	25.6	Very low	28	Very low	135 Å²	135	109.5 Å²	109.5	72%	0.722	63%	0.631	S	S	*	*	S	Bend	trans	-102.7	135.2	174.6	-61	-52	0	0	0	109.9	S72	S72-D74 VanDerWaalsContact C-N 3.3Å; S72-D74 PolarHBondContact OG-N 3.46Å; S72-D74 PolarHBondContact OG-O 3.23Å
75	G	24.7	Very low	28.4	Very low	73 Å²	73	110.6 Å²	110.6	75%	0.753	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-63.6	153.3	-162.5	0	0	0	0	0	116.6
76	F	26.9	Very low	28.5	Very low	136 Å²	136	111.2 Å²	111.2	60%	0.596	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-86.1	127.7	-177.4	-78.9	-84	0	0	0	113.5	D70	D70-F76 WeakPolarHBondContact O-CE2 3.36Å; D70-F76 WeakPolarHBondContact O-CZ 3.35Å
77	N	27.9	Very low	28.8	Very low	157 Å²	157	113.1 Å²	113.1	84%	0.84	63%	0.629	S	S	*	*			trans	-91.7	106.4	174.4	-170.1	-11.3	0	0	0	110.3	S79	N77-S79 PolarHBondContact O-N 3.39Å
78	V	32.3	Very low	29.2	Very low	80 Å²	80	114.2 Å²	114.2	49%	0.485	64%	0.635	S	S	.	*			trans	-74.6	121.1	178.3	177.1	0	0	0	0	109.6	Q80 I82	V78-Q80 PolarHBondContact O-N 3.35Å; V78-I82 HydrophobicContact CG1-CB 3.95Å; V78-I82 HydrophobicContact CG1-CD1 4.45Å; V78-I82 HydrophobicContact CG1-CG2 3.95Å
79	S	29	Very low	29.6	Very low	65 Å²	65	110.9 Å²	110.9	46%	0.455	64%	0.636	S	S	.	*			trans	-56.2	136.1	-175.9	79	0	0	0	0	112.2	N77 K81 I82	N77-S79 PolarHBondContact O-N 3.39Å; S79-K81 PolarHBondContact O-N 2.95Å; S79-I82 WeakPolarHBondContact O-CB 3.43Å; S79-I82 PolarHBondContact O-N 3.32Å
80	Q	29.6	Very low	29.8	Very low	141 Å²	141	112.8 Å²	112.8	66%	0.659	64%	0.639	S	S	*	*	H	α-helix	trans	-44.4	-38.2	-177.4	-176.1	-178.3	-22.4	0	0	114	V78 I82 S83 E84	V78-Q80 PolarHBondContact O-N 3.35Å; Q80-I82 PolarHBondContact O-N 3.04Å; Q80-I82 VanDerWaalsContact O-N 3.17Å; Q80-S83 WeakPolarHBondContact O-CB 3.33Å; Q80-S83 PolarHBondContact O-N 3.29Å; Q80-S83 VanDerWaalsContact O-N 3.13Å; Q80-E84 HydrophobicContact CG-CG 4.49Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.31Å; Q80-E84 PolarHBondContact NE2-OE1 2.96Å; Q80-E84 WeakPolarHBondContact O-CG 3.49Å; Q80-E84 PolarHBondContact O-N 3.4Å
81	K	32.3	Very low	30.1	Very low	149 Å²	149	115.4 Å²	115.4	65%	0.648	64%	0.644	S	S	*	*	H	α-helix	trans	-64.3	-17.7	-179.4	-158.6	171.4	-172	173.9	0	115	S79 Q85	S79-K81 PolarHBondContact O-N 2.95Å; K81-Q85 PolarHBondContact O-NE2 3.07Å
82	I	33.4	Very low	30	Very low	85 Å²	85	112.6 Å²	112.6	44%	0.436	64%	0.636	S	S	.	*	H	α-helix	trans	-91.3	-39	175	-63.1	173.1	0	0	0	110	V78 S79 Q80 E84 Q85 L86	V78-I82 HydrophobicContact CG1-CB 3.95Å; V78-I82 HydrophobicContact CG1-CD1 4.45Å; V78-I82 HydrophobicContact CG1-CG2 3.95Å; S79-I82 WeakPolarHBondContact O-CB 3.43Å; S79-I82 PolarHBondContact O-N 3.32Å; Q80-I82 PolarHBondContact O-N 3.04Å; Q80-I82 VanDerWaalsContact O-N 3.17Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.66Å; I82-Q85 PolarHBondContact O-N 2.91Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 PolarHBondContact O-N 2.8Å
83	S	32.3	Very low	30	Very low	36 Å²	36	113.4 Å²	113.4	25%	0.252	66%	0.655	S	S	.	*	H	α-helix	trans	-56.7	-47	171.5	-172.1	0	0	0	0	111.5	Q80 Q85 L86 F87	Q80-S83 WeakPolarHBondContact O-CB 3.33Å; Q80-S83 PolarHBondContact O-N 3.29Å; Q80-S83 VanDerWaalsContact O-N 3.13Å; S83-Q85 PolarHBondContact O-N 2.79Å; S83-L86 PolarHBondContact O-N 2.79Å; S83-F87 PolarHBondContact O-N 3.08Å
84	E	33.3	Very low	30	Very low	104 Å²	104	111.7 Å²	111.7	49%	0.486	64%	0.64	S	S	.	*	H	α-helix	trans	-61.7	-27.1	179	-71.4	167.4	178.7	0	0	113.2	Q80 I82	Q80-E84 HydrophobicContact CG-CG 4.49Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.31Å; Q80-E84 PolarHBondContact NE2-OE1 2.96Å; Q80-E84 WeakPolarHBondContact O-CG 3.49Å; Q80-E84 PolarHBondContact O-N 3.4Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.66Å
85	Q	35.2	Very low	30	Very low	135 Å²	135	113.2 Å²	113.2	63%	0.631	65%	0.649	S	S	*	*	H	α-helix	trans	-89.5	-16	177.8	-70.9	-172.3	43.7	0	0	114.4	K81 I82 S83	K81-Q85 PolarHBondContact O-NE2 3.07Å; I82-Q85 PolarHBondContact O-N 2.91Å; S83-Q85 PolarHBondContact O-N 2.79Å
86	L	29.3	Very low	30.2	Very low	121 Å²	121	118.9 Å²	118.9	63%	0.634	65%	0.653	S	S	*	*	H	α-helix	trans	-96.9	-36.9	179.8	-80.6	164.4	0	0	0	112.9	I82 S83	I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 PolarHBondContact O-N 2.8Å; S83-L86 PolarHBondContact O-N 2.79Å
87	F	34.8	Very low	30.1	Very low	134 Å²	134	119.7 Å²	119.7	59%	0.588	66%	0.663	S	S	*	*	S	Bend	trans	-109.7	18.3	-170.2	-64.2	-73.8	0	0	0	114.5	S83 G89 D90	S83-F87 PolarHBondContact O-N 3.08Å; F87-G89 PolarHBondContact O-N 2.64Å; F87-D90 PolarHBondContact O-N 3.26Å; F87-D90 VanDerWaalsContact O-N 3.08Å
88	N	32.6	Very low	30	Very low	168 Å²	168	117.8 Å²	117.8	90%	0.898	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.8	32.4	170.1	-142.2	33	0	0	0	114.7
89	G	32	Very low	29.8	Very low	67 Å²	67	120.4 Å²	120.4	69%	0.691	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.9	-5.5	176.9	0	0	0	0	0	116.9	F87	F87-G89 PolarHBondContact O-N 2.64Å
90	D	28.9	Very low	29.7	Very low	126 Å²	126	122.5 Å²	122.5	67%	0.674	68%	0.679	S	S	*	*			trans	-92.3	115.8	-176.6	-120.6	-29.7	0	0	0	114.1	F87	F87-D90 PolarHBondContact O-N 3.26Å; F87-D90 VanDerWaalsContact O-N 3.08Å
91	K	30.8	Very low	29.6	Very low	191 Å²	191	120.6 Å²	120.6	83%	0.83	68%	0.677	S	S	*	*			trans	22.9	123.2	168.1	-70.8	172.8	-177.5	169.8	0	121.1
92	A	26	Very low	29.4	Very low	88 Å²	88	119.4 Å²	119.4	73%	0.727	67%	0.672	S	S	*	*			trans	-70	156.2	172.6	0	0	0	0	0	114.7
93	G	25.8	Very low	29.2	Very low	84 Å²	84	121.1 Å²	121.1	87%	0.866	69%	0.686	S	S	*	*			trans	112.5	82.8	161.2	0	0	0	0	0	115
94	A	28.1	Very low	29	Very low	70 Å²	70	124.8 Å²	124.8	58%	0.579	70%	0.702	S	S	*	*			trans	-152.2	114.3	162.9	0	0	0	0	0	110.1	F96	A94-F96 HydrophobicContact CB-CD2 4.41Å; A94-F96 HydrophobicContact CB-CE2 3.67Å; A94-F96 HydrophobicContact CB-CZ 4.07Å; A94-F96 WeakPolarHBondContact O-CD2 3.34Å
95	D	25.8	Very low	28.8	Very low	167 Å²	167	123.5 Å²	123.5	89%	0.893	71%	0.709	S	S	*	*			trans	-77.6	128.2	175.7	-60	-50.5	0	0	0	110.3
96	F	28.2	Very low	28.5	Very low	192 Å²	192	124.6 Å²	124.6	84%	0.842	71%	0.712	S	S	*	*			trans	-115.2	112.3	178.7	-71.9	-79.7	0	0	0	111.5	A94	A94-F96 HydrophobicContact CB-CD2 4.41Å; A94-F96 HydrophobicContact CB-CE2 3.67Å; A94-F96 HydrophobicContact CB-CZ 4.07Å; A94-F96 WeakPolarHBondContact O-CD2 3.34Å
97	L	25.6	Very low	28.4	Very low	154 Å²	154	125.1 Å²	125.1	81%	0.806	72%	0.721	S	S	*	*			trans	-85.5	122.5	179.4	-80	158.7	0	0	0	112.2
98	T	25.5	Very low	28.1	Very low	117 Å²	117	123.6 Å²	123.6	72%	0.718	72%	0.724	S	S	*	*			trans	36.4	98.1	150.4	53.2	0	0	0	0	119.4
99	T	27.7	Very low	27.8	Very low	134 Å²	134	121.3 Å²	121.3	82%	0.822	71%	0.706	S	S	*	*				-172.3	144.1	115.8	20	0	0	0	0	111	V101	T99-V101 PolarHBondContact O-N 3.03Å; T99-V101 VanDerWaalsContact O-N 3.15Å
100	N	27	Very low	27.5	Very low	110 Å²	110	124.4 Å²	124.4	59%	0.588	71%	0.712	S	S	*	*			trans	-69.6	107.6	-171.4	-66.5	-18.2	0	0	0	112.5	T133	N100-T133 VanDerWaalsContact CB-OG1 3.3Å; N100-T133 WeakPolarHBondContact CB-OG1 3.41Å
101	V	27.6	Very low	27.5	Very low	101 Å²	101	123.8 Å²	123.8	61%	0.612	71%	0.712	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.6	116.9	172	-177.9	0	0	0	0	109.4	T99 V103	T99-V101 PolarHBondContact O-N 3.03Å; T99-V101 VanDerWaalsContact O-N 3.15Å; V101-V103 HydrophobicContact CG1-CG2 4.04Å
102	F	28	Very low	27.3	Very low	124 Å²	124	120.6 Å²	120.6	54%	0.544	71%	0.708	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	123	168.5	-75	-87.2	0	0	0	109.8	L131 T133	F102-L131 HydrophobicContact CB-CB 4Å; F102-L131 HydrophobicContact CB-CD1 4.39Å; F102-L131 HydrophobicContact CD2-CB 4.32Å; F102-L131 HydrophobicContact CG-CB 4.45Å; F102-T133 HydrophobicContact CE2-CG2 4.08Å
103	V	28.4	Very low	27.5	Very low	121 Å²	121	123 Å²	123	73%	0.733	71%	0.714	S	S	*	*			trans	-114.9	110.8	174.8	-178	0	0	0	0	109.1	V101	V101-V103 HydrophobicContact CG1-CG2 4.04Å
104	I	29.1	Very low	27.5	Very low	112 Å²	112	125.4 Å²	125.4	57%	0.574	70%	0.702	S	S	*	*			trans	-103.8	98.6	169.8	-57.4	176.7	0	0	0	107.3	F106	I104-F106 HydrophobicContact CG2-CD2 4.32Å; I104-F106 HydrophobicContact CG2-CE2 3.69Å; I104-F106 HydrophobicContact CG2-CZ 3.87Å
105	A	28.5	Very low	27.3	Very low	77 Å²	77	129.5 Å²	129.5	64%	0.636	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-89	121.9	177.2	0	0	0	0	0	110.7
106	F	28.7	Very low	27.4	Very low	158 Å²	158	128.4 Å²	128.4	69%	0.693	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-96.9	117.2	167	-66.5	-81.5	0	0	0	108.8	I104 F109	I104-F106 HydrophobicContact CG2-CD2 4.32Å; I104-F106 HydrophobicContact CG2-CE2 3.69Å; I104-F106 HydrophobicContact CG2-CZ 3.87Å; F106-F109 PolarHBondContact O-N 3.35Å
107	T	27.5	Very low	27.2	Very low	133 Å²	133	128.7 Å²	128.7	82%	0.816	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	141.5	175	35	0	0	0	0	111.1
108	P	28.8	Very low	27.1	Very low	102 Å²	102	125.4 Å²	125.4	66%	0.662	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	cis	-106.2	75	9.7	38.4	-29.3	0	0	0	113
109	F	26.5	Very low	27.3	Very low	119 Å²	119	127.6 Å²	127.6	52%	0.522	71%	0.713	S	S	.	*			trans	-123.3	124.6	167.7	-67.1	-76.9	0	0	0	111.9	F106	F106-F109 PolarHBondContact O-N 3.35Å
110	V	25.9	Very low	27.3	Very low	133 Å²	133	128.3 Å²	128.3	81%	0.806	71%	0.712	S	S	*	*			trans	-124.4	120.5	167.7	175.1	0	0	0	0	106.6
111	V	28	Very low	27.2	Very low	113 Å²	113	131 Å²	131	69%	0.685	73%	0.726	S	S	*	*			trans	-138.8	135.6	162.8	-179.9	0	0	0	0	108.7	V126	V111-V126 HydrophobicContact CB-CG2 4.48Å; V111-V126 HydrophobicContact CG2-CG2 3.74Å
112	V	27.7	Very low	27.2	Very low	124 Å²	124	134.1 Å²	134.1	75%	0.752	74%	0.738	S	S	*	*			trans	-91.9	150.9	-165.5	177	0	0	0	0	111.4
113	T	29	Very low	27	Very low	137 Å²	137	132.8 Å²	132.8	84%	0.84	74%	0.744	S	S	*	*			trans	-86.4	161.9	177.4	48.2	0	0	0	0	113.3	H115	T113-H115 PolarHBondContact O-N 3.4Å
114	H	25.9	Very low	27	Very low	135 Å²	135	133.1 Å²	133.1	63%	0.625	74%	0.737	S	S	*	*	S	Bend	trans	-86.4	103.8	-156.4	-168.5	-86.4	0	0	0	114.4
115	H	25.1	Very low	26.8	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.727	74%	0.744	S	S	*	*			trans	169.4	98	130	-92.3	-60.6	0	0	0	112.5	T113	T113-H115 PolarHBondContact O-N 3.4Å
116	T	26.3	Very low	26.8	Very low	143 Å²	143	131.7 Å²	131.7	88%	0.877	73%	0.734	S	S	*	*			trans	176.4	153.9	134.1	26	0	0	0	0	110	A118	T116-A118 PolarHBondContact O-N 2.87Å; T116-A118 VanDerWaalsContact O-N 3.16Å
117	H	23.7	Very low	26.7	Very low	199 Å²	199	133.6 Å²	133.6	92%	0.921	74%	0.743	S	S	*	*	S	Bend	trans	-70.1	101.8	-175.5	-75.2	-104.5	0	0	0	113
118	A	25.1	Very low	26.7	Very low	85 Å²	85	132.2 Å²	132.2	70%	0.702	73%	0.733	S	S	*	*			trans	-169.5	166.8	155.4	0	0	0	0	0	111.7	T116	T116-A118 PolarHBondContact O-N 2.87Å; T116-A118 VanDerWaalsContact O-N 3.16Å
119	I	29.7	Very low	26.8	Very low	162 Å²	162	132.1 Å²	132.1	83%	0.831	73%	0.731	S	S	*	*			trans	81.9	106.8	170.2	-48	173.6	0	0	0	114.8
120	N	26.4	Very low	26.9	Very low	150 Å²	150	129.8 Å²	129.8	80%	0.802	73%	0.726	S	S	*	*			trans	-78.3	150.8	177.4	-67.7	-23.2	0	0	0	112.8	I122	N120-I122 PolarHBondContact O-N 3.34Å
121	D	25.4	Very low	27.1	Very low	166 Å²	166	127.6 Å²	127.6	89%	0.888	71%	0.71	S	S	*	*			trans	19.5	91.3	153.9	-74.2	-37.8	0	0	0	118.8
122	I	27.1	Very low	27.1	Very low	167 Å²	167	124.8 Å²	124.8	86%	0.856	70%	0.698	S	S	*	*			trans	-130.2	135.7	147.5	-58.3	-176.8	0	0	0	109.3	N120	N120-I122 PolarHBondContact O-N 3.34Å
123	S	23.8	Very low	27.1	Very low	95 Å²	95	121.7 Å²	121.7	66%	0.664	68%	0.68	S	S	*	*			trans	-69.4	167.6	-170.6	-62.6	0	0	0	0	115.1
124	H	28.7	Very low	27.1	Very low	129 Å²	129	121.7 Å²	121.7	60%	0.597	67%	0.67	S	S	*	*			trans	114.8	139.3	154.1	-61.9	-78.8	0	0	0	117.5
125	A	26.3	Very low	27.1	Very low	86 Å²	86	126 Å²	126	71%	0.711	68%	0.682	S	S	*	*			trans	-86.7	138.5	-178.6	0	0	0	0	0	111
126	V	26.7	Very low	27.3	Very low	72 Å²	72	121.7 Å²	121.7	44%	0.436	67%	0.67	S	S	.	*			trans	-103.7	140.2	-165.5	-172.7	0	0	0	0	111	V111 V128	V111-V126 HydrophobicContact CB-CG2 4.48Å; V111-V126 HydrophobicContact CG2-CG2 3.74Å; V126-V128 HydrophobicContact CB-CG2 4.13Å; V126-V128 HydrophobicContact CG1-CG2 3.66Å
127	F	27	Very low	27.4	Very low	199 Å²	199	126.6 Å²	126.6	87%	0.873	67%	0.672	S	S	*	*			trans	-91.1	115	165.4	-146.2	-86.1	0	0	0	107.9
128	V	28.6	Very low	27.5	Very low	103 Å²	103	122.5 Å²	122.5	62%	0.624	66%	0.657	S	S	*	*			trans	-114.7	122.6	-175.6	-170.3	0	0	0	0	109.8	V126 V130	V126-V128 HydrophobicContact CB-CG2 4.13Å; V126-V128 HydrophobicContact CG1-CG2 3.66Å; V128-V130 HydrophobicContact CG1-CG2 3.56Å
129	V	29.8	Very low	27.7	Very low	101 Å²	101	127.2 Å²	127.2	61%	0.612	66%	0.664	S	S	*	*			trans	-105.4	103.1	168.2	178.7	0	0	0	0	107.6
130	V	29.5	Very low	27.7	Very low	70 Å²	70	127.4 Å²	127.4	42%	0.424	66%	0.659	S	S	.	*			trans	-94	105.9	176.6	-173.6	0	0	0	0	109.3	V128 A132	V128-V130 HydrophobicContact CG1-CG2 3.56Å; V130-A132 HydrophobicContact CG1-CB 4.35Å; V130-A132 PolarHBondContact O-N 3.42Å
131	L	29	Very low	27.7	Very low	87 Å²	87	124.1 Å²	124.1	46%	0.455	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	85.9	166.8	-74.9	167.3	0	0	0	108.7	F102	F102-L131 HydrophobicContact CB-CB 4Å; F102-L131 HydrophobicContact CB-CD1 4.39Å; F102-L131 HydrophobicContact CD2-CB 4.32Å; F102-L131 HydrophobicContact CG-CB 4.45Å
132	A	29.1	Very low	27.9	Very low	54 Å²	54	127 Å²	127	45%	0.446	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	117.7	174.4	0	0	0	0	0	110.5	V130	V130-A132 HydrophobicContact CG1-CB 4.35Å; V130-A132 PolarHBondContact O-N 3.42Å
133	T	27.5	Very low	27.8	Very low	58 Å²	58	123.3 Å²	123.3	36%	0.356	64%	0.641	S	S	.	*			trans	-74.7	167	158.3	58	0	0	0	0	109.8	N100 F102 S136	N100-T133 VanDerWaalsContact CB-OG1 3.3Å; N100-T133 WeakPolarHBondContact CB-OG1 3.41Å; F102-T133 HydrophobicContact CE2-CG2 4.08Å; T133-S136 PolarHBondContact O-OG 3.36Å
134	Q	28.7	Very low	27.8	Very low	137 Å²	137	125.2 Å²	125.2	64%	0.64	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.6	139.9	-167.4	-62.7	176.9	-12.8	0	0	115.2
135	Y	26.8	Very low	27.6	Very low	226 Å²	226	124.7 Å²	124.7	89%	0.886	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.7	17.5	171.4	-62.3	-79.7	0	0	0	120.1	R137	Y135-R137 PolarHBondContact O-N 3.16Å
136	S	28.3	Very low	27.5	Very low	67 Å²	67	129.4 Å²	129.4	47%	0.469	66%	0.655	S	S	.	*			trans	-74.7	116.1	171.8	-45.2	0	0	0	0	113.5	T133	T133-S136 PolarHBondContact O-OG 3.36Å
137	R	27.5	Very low	27.3	Very low	245 Å²	245	132.3 Å²	132.3	93%	0.925	67%	0.672	S	S	*	*			trans	-87.4	115.3	161.9	-79.3	-174.5	173.8	-175.3	-0.9	109.7	Y135	Y135-R137 PolarHBondContact O-N 3.16Å
138	L	27.5	Very low	27.2	Very low	113 Å²	113	129.9 Å²	129.9	59%	0.592	66%	0.662	S	S	*	*			trans	-86.1	127.1	168.9	-72.5	167	0	0	0	109.7	F140	L138-F140 HydrophobicContact CB-CE2 4.24Å
139	H	29.4	Very low	26.9	Very low	184 Å²	184	135.5 Å²	135.5	85%	0.852	67%	0.672	S	S	*	*			trans	-121.2	112.4	177.8	-146.7	-86.3	0	0	0	108.4
140	F	29	Very low	26.7	Very low	166 Å²	166	139.5 Å²	139.5	73%	0.728	68%	0.681	S	S	*	*			trans	-92.9	132	178.8	-67	-81.3	0	0	0	110.2	L138	L138-F140 HydrophobicContact CB-CE2 4.24Å
141	P	26.4	Very low	26.5	Very low	82 Å²	82	142.1 Å²	142.1	53%	0.532	70%	0.698	S	S	.	*	S	Bend	trans	-77.4	140.3	167.3	31.2	-30.8	0	0	0	110
142	Y	28.5	Very low	26.3	Very low	226 Å²	226	147.2 Å²	147.2	89%	0.886	72%	0.719	S	S	*	*	S	Bend	trans	78.9	102.8	-171.6	-61.8	-86.4	0	0	0	116.2
143	A	25.5	Very low	26.2	Very low	90 Å²	90	153.8 Å²	153.8	74%	0.744	74%	0.743	S	S	*	*	S	Bend	trans	17.5	128	158.2	0	0	0	0	0	119.7
144	D	24.9	Very low	26.1	Very low	134 Å²	134	156.5 Å²	156.5	72%	0.717	76%	0.76	S	S	*	*			cis	-128.8	157	8.3	-76.8	-47.6	0	0	0	112.1	Y146	D144-Y146 WeakPolarHBondContact O-CD2 3.27Å; D144-Y146 PolarHBondContact O-N 3.15Å; D144-Y146 VanDerWaalsContact O-N 3.11Å
145	S	23.4	Very low	25.9	Very low	119 Å²	119	157 Å²	157	83%	0.832	77%	0.767	S	S	*	*			trans	-75.8	96.7	-175.2	56.3	0	0	0	0	113.2
146	Y	23.6	Very low	25.7	Very low	184 Å²	184	152.8 Å²	152.8	72%	0.722	76%	0.755	S	S	*	*			trans	-88.3	118.9	168.4	-73.1	-84.7	0	0	0	112	D144 F148	D144-Y146 WeakPolarHBondContact O-CD2 3.27Å; D144-Y146 PolarHBondContact O-N 3.15Å; D144-Y146 VanDerWaalsContact O-N 3.11Å; Y146-F148 HydrophobicContact CD1-CZ 4.43Å; Y146-F148 HydrophobicContact CG-CE2 4.29Å
147	V	23.5	Very low	25.5	Very low	133 Å²	133	156.2 Å²	156.2	81%	0.806	77%	0.767	S	S	*	*			trans	-93.2	102.2	174.4	178	0	0	0	0	109.6
148	F	24.4	Very low	25.3	Very low	149 Å²	149	152.8 Å²	152.8	65%	0.654	76%	0.759	S	S	*	*			trans	-94.3	117.5	170.7	-66.9	-76	0	0	0	110.7	Y146 F150	Y146-F148 HydrophobicContact CD1-CZ 4.43Å; Y146-F148 HydrophobicContact CG-CE2 4.29Å; F148-F150 HydrophobicContact CB-CD2 4.35Å; F148-F150 HydrophobicContact CB-CE2 3.58Å; F148-F150 HydrophobicContact CB-CZ 3.69Å; F148-F150 HydrophobicContact CG-CZ 4.32Å
149	R	21.8	Very low	25.1	Very low	220 Å²	220	153.8 Å²	153.8	83%	0.83	76%	0.764	S	S	*	*			trans	-103.4	109.8	173.6	-171.4	-171.6	-62.9	-160.2	2.5	107.6
150	F	26.8	Very low	24.8	Very low	185 Å²	185	154.5 Å²	154.5	81%	0.811	77%	0.768	S	S	*	*			trans	-92.8	116.5	-178.8	-63.9	-79.4	0	0	0	110.6	F148	F148-F150 HydrophobicContact CB-CD2 4.35Å; F148-F150 HydrophobicContact CB-CE2 3.58Å; F148-F150 HydrophobicContact CB-CZ 3.69Å; F148-F150 HydrophobicContact CG-CZ 4.32Å
151	T	24.4	Very low	24.7	Very low	126 Å²	126	151.5 Å²	151.5	77%	0.773	77%	0.767	S	S	*	*			trans	-119.7	151.6	168.6	35.3	0	0	0	0	109.2	M153	T151-M153 PolarHBondContact O-N 3.47Å
152	E	25.9	Very low	24.5	Very low	194 Å²	194	150.7 Å²	150.7	91%	0.907	77%	0.774	S	S	*	*			trans	-56.6	129.4	-170	-59.5	165.4	143	0	0	113.2
153	M	26.6	Very low	24.2	Very low	192 Å²	192	151.4 Å²	151.4	95%	0.946	78%	0.775	S	S	*	*			trans	-146.3	131.3	148	-93.9	-162.1	-97.6	0	0	110.1	T151	T151-M153 PolarHBondContact O-N 3.47Å
154	T	24.5	Very low	24.2	Very low	115 Å²	115	155.4 Å²	155.4	71%	0.706	78%	0.778	S	S	*	*			trans	-79.5	172.2	165	48.9	0	0	0	0	110.5
155	D	24.6	Very low	24.2	Very low	146 Å²	146	156 Å²	156	78%	0.781	78%	0.781	S	S	*	*	S	Bend	trans	80.5	163.4	167	-47	-47.4	0	0	0	117
156	E	23.2	Very low	24.3	Very low	138 Å²	138	160.7 Å²	160.7	65%	0.645	79%	0.786	S	S	*	*			trans	-73.9	142.5	-143.2	-55.3	-178.1	129.8	0	0	116	F158	E156-F158 HydrophobicContact CB-CD2 4.38Å; E156-F158 HydrophobicContact CB-CE2 4.34Å
157	L	23.6	Very low	24.3	Very low	139 Å²	139	158.3 Å²	158.3	73%	0.728	79%	0.786	S	S	*	*			trans	-124.7	102.4	163.6	-166.8	72.6	0	0	0	111.4	I159	L157-I159 HydrophobicContact CD2-CD1 4.08Å; L157-I159 HydrophobicContact CD2-CG1 4.4Å; L157-I159 HydrophobicContact CG-CG1 4.3Å
158	F	22.9	Very low	24.5	Very low	173 Å²	173	157.8 Å²	157.8	76%	0.759	79%	0.785	S	S	*	*			trans	-79.4	126.1	169.2	-79.3	-99.9	0	0	0	110.5	E156	E156-F158 HydrophobicContact CB-CD2 4.38Å; E156-F158 HydrophobicContact CB-CE2 4.34Å
159	I	24.8	Very low	24.5	Very low	134 Å²	134	157.5 Å²	157.5	69%	0.687	79%	0.789	S	S	*	*			trans	-127.4	104.8	164.5	-56.9	-178	0	0	0	109.4	L157	L157-I159 HydrophobicContact CD2-CD1 4.08Å; L157-I159 HydrophobicContact CD2-CG1 4.4Å; L157-I159 HydrophobicContact CG-CG1 4.3Å
160	Q	22.1	Very low	24.8	Very low	199 Å²	199	153 Å²	153	93%	0.93	79%	0.786	S	S	*	*			trans	-99.6	107	168	175.4	-179	-18.1	0	0	108.1
161	S	26.5	Very low	24.7	Very low	103 Å²	103	150.1 Å²	150.1	72%	0.72	78%	0.779	S	S	*	*			trans	-124.4	120.7	173.4	61.5	0	0	0	0	111.1
162	G	22.6	Very low	25	Very low	66 Å²	66	149.6 Å²	149.6	68%	0.68	78%	0.775	S	S	*	*			trans	-68.4	179.3	166	0	0	0	0	0	112.4
163	W	23.5	Very low	25.1	Very low	240 Å²	240	145.3 Å²	145.3	91%	0.909	76%	0.762	S	S	*	*	S	Bend	trans	-30.3	145.4	179.2	-53.1	85.1	0	0	0	117.1
164	H	24.9	Very low	25.2	Very low	174 Å²	174	142 Å²	142	81%	0.806	75%	0.748	S	S	*	*			trans	81.7	78.4	170.7	-51.2	-91.4	0	0	0	118.6
165	L	24.8	Very low	25.5	Very low	148 Å²	148	141.7 Å²	141.7	78%	0.775	74%	0.742	S	S	*	*				-174	136.7	117.3	-122.4	69.6	0	0	0	111	L167	L165-L167 HydrophobicContact CD2-CD1 4.13Å; L165-L167 HydrophobicContact CD2-CG 4.31Å; L165-L167 PolarHBondContact O-N 3.19Å
166	K	25.8	Very low	25.9	Very low	216 Å²	216	139.7 Å²	139.7	94%	0.939	73%	0.731	S	S	*	*			trans	-87.3	90.8	166.7	-92.1	-175.1	172.5	-179.8	0	109.3
167	L	23.2	Very low	26.2	Very low	135 Å²	135	140.3 Å²	140.3	71%	0.707	74%	0.739	S	S	*	*			trans	-106.5	138.7	161.4	-74.3	167.3	0	0	0	109	L165 L169	L165-L167 HydrophobicContact CD2-CD1 4.13Å; L165-L167 HydrophobicContact CD2-CG 4.31Å; L165-L167 PolarHBondContact O-N 3.19Å; L167-L169 PolarHBondContact O-N 3.28Å
168	P	27.7	Very low	26.4	Very low	121 Å²	121	143.2 Å²	143.2	79%	0.786	75%	0.746	S	S	*	*			trans	-72	101.4	177.1	29.2	-32.6	0	0	0	109.7	V170	P168-V170 PolarHBondContact O-N 3.26Å
169	L	24.4	Very low	26.5	Very low	144 Å²	144	140.2 Å²	140.2	75%	0.754	75%	0.753	S	S	*	*			trans	-83.7	107.2	178.9	-158.4	140.7	0	0	0	109.4	L167 L171	L167-L169 PolarHBondContact O-N 3.28Å; L169-L171 HydrophobicContact CD2-CD1 4.08Å
170	V	27.6	Very low	26.6	Very low	126 Å²	126	139.1 Å²	139.1	76%	0.764	76%	0.757	S	S	*	*			trans	-86.1	124.2	176.3	179.4	0	0	0	0	108.6	P168 V172	P168-V170 PolarHBondContact O-N 3.26Å; V170-V172 HydrophobicContact CG1-CG2 4.14Å
171	L	26.1	Very low	26.8	Very low	124 Å²	124	141.3 Å²	141.3	65%	0.649	76%	0.757	S	S	*	*			trans	-119.5	121.8	178.3	-155.3	111.8	0	0	0	109.3	L169 V173	L169-L171 HydrophobicContact CD2-CD1 4.08Å; L171-V173 HydrophobicContact CD2-CG2 3.93Å
172	V	29.4	Very low	26.6	Very low	114 Å²	114	142.3 Å²	142.3	69%	0.691	76%	0.763	S	S	*	*			trans	-120.8	128	-179.5	-179.1	0	0	0	0	108.3	V170	V170-V172 HydrophobicContact CG1-CG2 4.14Å
173	V	28.8	Very low	26.9	Very low	105 Å²	105	144.7 Å²	144.7	64%	0.636	77%	0.766	S	S	*	*			trans	-127.3	131.1	-179	-177.3	0	0	0	0	109	L171	L171-V173 HydrophobicContact CD2-CG2 3.93Å
174	N	28.7	Very low	27	Very low	122 Å²	122	141.7 Å²	141.7	65%	0.652	76%	0.762	S	S	*	*			trans	-119.4	121	-176.6	-178.3	9.5	0	0	0	110	N176	N174-N176 PolarHBondContact ND2-ND2 2.99Å; N174-N176 PolarHBondContact OD1-ND2 2.81Å
175	N	30.8	Very low	27	Very low	109 Å²	109	141.1 Å²	141.1	58%	0.583	76%	0.764	S	S	*	*			trans	-101.9	105.6	179.2	-74.9	-12.7	0	0	0	110.4	C26	C26-N175 PolarHBondContact SG-ND2 3.07Å
176	N	32.8	Very low	27	Very low	104 Å²	104	141.5 Å²	141.5	56%	0.556	76%	0.762	S	S	*	*			trans	-127.1	98.9	167.3	-74.9	-62.8	0	0	0	111	N174 K178	N174-N176 PolarHBondContact ND2-ND2 2.99Å; N174-N176 PolarHBondContact OD1-ND2 2.81Å; N176-K178 PolarHBondContact O-N 2.94Å
177	N	28.4	Very low	26.9	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	75%	0.751	S	S	*	*			trans	-77.6	102.5	172.6	-71.3	-29.8	0	0	0	110.4
178	K	29.1	Very low	27	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	76%	0.76	S	S	*	*			trans	-152.4	118.7	159.6	-112.7	173.3	-173.4	177.4	0	111.3	N176	N176-K178 PolarHBondContact O-N 2.94Å
179	A	25.3	Very low	26.9	Very low	110 Å²	110	140.4 Å²	140.4	91%	0.909	75%	0.746	S	S	*	*			trans	-81.4	120.3	174	0	0	0	0	0	110.4
180	S	26.2	Very low	27	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	75%	0.752	S	S	*	*			trans	-149.2	129.3	167.5	51.2	0	0	0	0	111.3
181	R	25.7	Very low	26.8	Very low	244 Å²	244	142 Å²	142	92%	0.921	75%	0.749	S	S	*	*			trans	-38.6	133.2	-173.9	-70.8	170.7	167.3	162.1	-5.4	116
182	C	23.8	Very low	26.9	Very low	125 Å²	125	141.8 Å²	141.8	85%	0.845	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62.8	135.5	160.9	-46	0	0	0	0	111.6
183	P	28.6	Very low	26.8	Very low	115 Å²	115	141.5 Å²	141.5	75%	0.747	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-87	145.2	142.7	32.4	-25.2	0	0	0	109.8
184	Q	24.2	Very low	27	Very low	178 Å²	178	142 Å²	142	83%	0.832	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.8	126.4	-180	-64.7	-128.4	-22.4	0	0	112.2
185	L	25.3	Very low	26.9	Very low	161 Å²	161	142.6 Å²	142.6	84%	0.843	79%	0.786	S	S	*	*			trans	-134.6	91.9	156.4	-70.9	173.5	0	0	0	105.7
186	Q	25.7	Very low	26.8	Very low	157 Å²	157	140.4 Å²	140.4	73%	0.734	79%	0.79	S	S	*	*				54.5	88.3	91.8	-66.2	-168.8	0.4	0	0	112.7
187	H	23.7	Very low	26.7	Very low	154 Å²	154	145.4 Å²	145.4	71%	0.713	80%	0.8	S	S	*	*			trans	36	89.4	130.7	-162.5	41.5	0	0	0	116.1	D189	H187-D189 IonicContact CE1-OD1 2.95Å; H187-D189 PolarHBondContact CE1-OD1 2.68Å; H187-D189 IonicContact CE1-OD2 3.69Å; H187-D189 PolarHBondContact CE1-OD2 2.84Å; H187-D189 IonicContact ND1-OD1 3.6Å; H187-D189 IonicContact NE2-OD1 3.1Å; H187-D189 IonicContact NE2-OD2 3.47Å; H187-D189 PolarHBondContact NE2-OD2 2.91Å
188	F	25.1	Very low	26.8	Very low	203 Å²	203	147.2 Å²	147.2	89%	0.89	80%	0.797	S	S	*	*			trans	-95.4	95.9	150.9	-90.1	-82	0	0	0	108.7
189	D	24.7	Very low	26.8	Very low	92 Å²	92	143.6 Å²	143.6	49%	0.492	79%	0.792	S	S	.	*			trans	-55.3	140.8	150.5	-79.2	-30.1	0	0	0	109.4	H187	H187-D189 IonicContact CE1-OD1 2.95Å; H187-D189 PolarHBondContact CE1-OD1 2.68Å; H187-D189 IonicContact CE1-OD2 3.69Å; H187-D189 PolarHBondContact CE1-OD2 2.84Å; H187-D189 IonicContact ND1-OD1 3.6Å; H187-D189 IonicContact NE2-OD1 3.1Å; H187-D189 IonicContact NE2-OD2 3.47Å; H187-D189 PolarHBondContact NE2-OD2 2.91Å
190	I	27.5	Very low	27.3	Very low	173 Å²	173	144.7 Å²	144.7	89%	0.887	79%	0.787	S	S	*	*			trans	-117.7	56.9	146.5	-50.9	-176.9	0	0	0	107.2
191	D	24	Very low	27.5	Very low	131 Å²	131	145.1 Å²	145.1	70%	0.701	79%	0.788	S	S	*	*			trans	-93.3	142	149.6	-104.2	-32.3	0	0	0	108.4
192	S	27.3	Very low	27.7	Very low	118 Å²	118	138 Å²	138	83%	0.825	78%	0.781	S	S	*	*			trans	69.8	110.1	177.3	77.3	0	0	0	0	118.7
193	A	28.3	Very low	28	Very low	108 Å²	108	137.3 Å²	137.3	89%	0.893	78%	0.775	S	S	*	*			trans	173.4	55.5	130.6	0	0	0	0	0	114.4
194	S	31.1	Very low	28	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	78%	0.777	S	S	*	*	S	Bend	trans	-128.9	118.2	146.3	63.4	0	0	0	0	108.2
195	P	26.7	Very low	28.5	Very low	134 Å²	134	142.7 Å²	142.7	87%	0.87	78%	0.78	S	S	*	*			trans	-83.6	129.7	-163.5	30.9	-34.3	0	0	0	112.2
196	G	30.1	Very low	28.7	Very low	64 Å²	64	141.5 Å²	141.5	66%	0.66	78%	0.779	S	S	*	*			trans	104.3	109.4	147.1	0	0	0	0	0	117.2
197	R	30	Very low	28.8	Very low	208 Å²	208	137.8 Å²	137.8	79%	0.785	78%	0.783	S	S	*	*			trans	57	121	138.6	-42	175.3	173.1	-142.4	-2.3	116.4
198	Y	31.4	Very low	29.2	Very low	189 Å²	189	135.5 Å²	135.5	74%	0.741	79%	0.79	S	S	*	*			cis	-159.2	133.2	49.7	-88.5	-83.8	0	0	0	111.7
199	T	28.9	Very low	29.4	Very low	124 Å²	124	129.4 Å²	129.4	76%	0.761	79%	0.785	S	S	*	*			trans	-53.4	146	165.5	44.9	0	0	0	0	113.9
200	V	34.5	Very low	29.5	Very low	133 Å²	133	133.6 Å²	133.6	81%	0.806	81%	0.806	S	S	*	*				-169.4	128.3	105.1	159.9	0	0	0	0	108.5
201	P	31.9	Very low	29.5	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	80%	0.8	S	S	*	*			trans	-87.7	148.1	175.9	34.6	-33.4	0	0	0	112.7
202	A	28.4	Very low	29.6	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	80%	0.802	S	S	*	*			trans	-117.8	150.2	173.8	0	0	0	0	0	111.3
203	P	31.2	Very low	29.7	Very low	111 Å²	111	130.8 Å²	130.8	72%	0.721	80%	0.802	S	S	*	*			trans	-96.1	167.2	-151.5	37	-37.7	0	0	0	115.8
204	Y	27.5	Very low	29.8	Very low	203 Å²	203	133.8 Å²	133.8	80%	0.796	80%	0.798	S	S	*	*			trans	-44.5	142.8	168.4	73.4	-75	0	0	0	113.4
205	K	35.8	Very low	29.6	Very low	203 Å²	203	137.2 Å²	137.2	88%	0.883	81%	0.806	S	S	*	*			trans	-148	115.8	162.1	-130.3	176.9	-173.8	-178.5	0	113.2
206	T	29.2	Very low	29.7	Very low	136 Å²	136	137.9 Å²	137.9	83%	0.834	80%	0.801	S	S	*	*			trans	-61.5	138.4	165	-34.5	0	0	0	0	110
207	G	28.6	Very low	29.5	Very low	78 Å²	78	144.7 Å²	144.7	80%	0.804	81%	0.812	S	S	*	*			trans	104.8	91.6	168.8	0	0	0	0	0	115.2
208	A	30.4	Very low	29.4	Very low	106 Å²	106	137.7 Å²	137.7	88%	0.876	80%	0.799	S	S	*	*			trans	-141.3	116.2	156.2	0	0	0	0	0	107.4
209	G	30.3	Very low	29.1	Very low	75 Å²	75	136.2 Å²	136.2	77%	0.773	80%	0.802	S	S	*	*			trans	-79.9	165.6	-174.1	0	0	0	0	0	113.5	C211	G209-C211 PolarHBondContact O-N 3.41Å
210	I	26.2	Very low	29.3	Very low	181 Å²	181	140.1 Å²	140.1	93%	0.928	80%	0.804	S	S	*	*			trans	-50.7	129.9	167.6	-75.5	168.6	0	0	0	110.1
211	C	27.4	Very low	29	Very low	115 Å²	115	140.9 Å²	140.9	78%	0.777	80%	0.804	S	S	*	*			trans	-138.2	140.2	159.9	-158.8	0	0	0	0	109.7	G209	G209-C211 PolarHBondContact O-N 3.41Å
212	T	25.7	Very low	28.7	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.7	131.5	-178.3	27.9	0	0	0	0	112.4
213	P	29.5	Very low	29	Very low	128 Å²	128	141 Å²	141	83%	0.831	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.7	133.7	165.1	-15.2	30.3	0	0	0	110.9
214	E	31.4	Very low	28.9	Very low	171 Å²	171	138.3 Å²	138.3	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.8	152.3	178.3	-65.9	179.5	122.1	0	0	113	I216	E214-I216 PolarHBondContact O-N 2.74Å
215	L	26.2	Very low	29.1	Very low	188 Å²	188	132.6 Å²	132.6	98%	0.984	78%	0.782	S	S	*	*			trans	-68.9	90	175.1	-89	158.3	0	0	0	111.5
216	I	30.2	Very low	28.9	Very low	149 Å²	149	129.2 Å²	129.2	76%	0.764	77%	0.768	S	S	*	*			trans	-102.5	126.9	169.3	-60.7	178.5	0	0	0	110.5	E214 A218	E214-I216 PolarHBondContact O-N 2.74Å; I216-A218 PolarHBondContact O-N 3.14Å
217	K	25.2	Very low	28.9	Very low	206 Å²	206	125.1 Å²	125.1	90%	0.896	74%	0.74	S	S	*	*			trans	-70.1	110.4	-171.1	-173.9	-180	-175.8	-179.8	0	111.7
218	A	26.9	Very low	29	Very low	61 Å²	61	125.9 Å²	125.9	50%	0.504	73%	0.733	S	S	.	*			trans	-97.3	140	173.3	0	0	0	0	0	112.1	I216 Y220	I216-A218 PolarHBondContact O-N 3.14Å; A218-Y220 HydrophobicContact CB-CE2 4.11Å; A218-Y220 WeakPolarHBondContact O-CD2 3.39Å
219	I	25.6	Very low	28.9	Very low	158 Å²	158	126.6 Å²	126.6	81%	0.81	73%	0.732	S	S	*	*			trans	-84	135.1	178.3	-61.3	162.2	0	0	0	108.3
220	Y	32.6	Very low	28.7	Very low	206 Å²	206	129.6 Å²	129.6	81%	0.808	74%	0.735	S	S	*	*			trans	-124.2	101.3	-178.9	-69.8	-77.4	0	0	0	112	A218	A218-Y220 HydrophobicContact CB-CE2 4.11Å; A218-Y220 WeakPolarHBondContact O-CD2 3.39Å
221	D	28.6	Very low	28.7	Very low	150 Å²	150	125.9 Å²	125.9	80%	0.802	72%	0.717	S	S	*	*			trans	-76.5	161.1	159.8	-72.1	-44.3	0	0	0	111.2
222	A	26.7	Very low	28.8	Very low	99 Å²	99	127.1 Å²	127.1	82%	0.818	72%	0.721	S	S	*	*			trans	-62.8	156.3	-154.1	0	0	0	0	0	117.6
223	P	34.5	Very low	28.8	Very low	117 Å²	117	129 Å²	129	76%	0.76	72%	0.721	S	S	*	*				-127.6	161.1	123	37.1	-31.3	0	0	0	115.3
224	A	28.2	Very low	28.5	Very low	55 Å²	55	127.3 Å²	127.3	46%	0.455	72%	0.718	S	S	.	*	S	Bend	trans	-73.4	165.7	-174.6	0	0	0	0	0	115.1	G487	A224-G487 WeakPolarHBondContact CB-O 3.45Å
225	S	31.8	Very low	28.2	Very low	84 Å²	84	129.1 Å²	129.1	59%	0.587	72%	0.718	S	S	*	*			trans	67.7	112.3	-177.1	80.3	0	0	0	0	115.9	G487	S225-G487 PolarHBondContact N-O 3.43Å
226	F	32.1	Very low	28.2	Very low	132 Å²	132	126.8 Å²	126.8	58%	0.579	71%	0.705	S	S	*	*			trans	-133.7	19.2	-171.3	-132.4	-42.5	0	0	0	115.3	R436	F226-R436 VanDerWaalsContact CD1-NH1 3.34Å; F226-R436 VanDerWaalsContact CE1-NH1 3.32Å
227	L	29.3	Very low	27.8	Very low	49 Å²	49	127.3 Å²	127.3	26%	0.257	71%	0.706	S	S	.	*			trans	-129.9	55.2	177.2	-68.9	174.7	0	0	0	111.9	R314 F434 Q485	L227-R314 PolarHBondContact O-NH2 3.37Å; L227-F434 HydrophobicContact CD1-CD1 4.44Å; L227-F434 HydrophobicContact CD1-CE1 3.94Å; L227-F434 HydrophobicContact CD1-CE2 4.21Å; L227-F434 HydrophobicContact CD1-CZ 3.81Å; L227-F434 HydrophobicContact CD2-CD1 3.52Å; L227-F434 HydrophobicContact CD2-CE1 3.64Å; L227-F434 HydrophobicContact CD2-CG 4.13Å; L227-F434 HydrophobicContact CD2-CZ 4.32Å; L227-F434 HydrophobicContact CG-CE1 4.45Å; L227-Q485 VanDerWaalsContact CB-NE2 3.3Å; L227-Q485 VanDerWaalsContact CD1-CD 3.42Å; L227-Q485 HydrophobicContact CD1-CG 4.39Å
228	S	30.3	Very low	27.8	Very low	95 Å²	95	124 Å²	124	66%	0.664	70%	0.703	S	S	*	*			trans	-147.9	82.7	169.5	-171.9	0	0	0	0	110.2
229	S	28.3	Very low	27.7	Very low	120 Å²	120	124.2 Å²	124.2	84%	0.839	71%	0.711	S	S	*	*			trans	-165.1	68.5	172.1	-79	0	0	0	0	111.8
230	T	26.6	Very low	27.8	Very low	138 Å²	138	128.4 Å²	128.4	85%	0.847	72%	0.716	S	S	*	*	S	Bend	trans	-144.4	47.5	161.6	58.2	0	0	0	0	111.6
231	L	26.5	Very low	27.4	Very low	103 Å²	103	123.5 Å²	123.5	54%	0.539	72%	0.719	S	S	.	*			trans	-175.2	101.2	146	-127.3	74.2	0	0	0	111.4	K542	L231-K542 HydrophobicContact CD2-CD 4.19Å; L231-K542 HydrophobicContact CD2-CG 3.85Å
232	T	27.9	Very low	27.4	Very low	142 Å²	142	120.4 Å²	120.4	87%	0.871	72%	0.722	S	S	*	*			trans	-143.7	114.4	153.7	45.4	0	0	0	0	107.6
233	H	25.5	Very low	27.6	Very low	157 Å²	157	124.5 Å²	124.5	73%	0.727	72%	0.724	S	S	*	*			trans	-74.3	171.8	170.8	-81.2	67.7	0	0	0	110.9
234	A	24.8	Very low	27.8	Very low	93 Å²	93	124.3 Å²	124.3	77%	0.769	72%	0.723	S	S	*	*			trans	87.6	141	164.5	0	0	0	0	0	117.1
235	R	25	Very low	28.1	Very low	210 Å²	210	127.7 Å²	127.7	79%	0.792	73%	0.728	S	S	*	*			cis	-172.8	150.1	-15.6	-117.4	178.2	-173.5	-157.4	2.9	107.8
236	I	24.7	Very low	28.1	Very low	138 Å²	138	127.4 Å²	127.4	71%	0.708	74%	0.738	S	S	*	*			trans	72	140.3	155.7	-57.9	157.9	0	0	0	113.9
237	M	23.6	Very low	28.4	Very low	161 Å²	161	126 Å²	126	79%	0.793	75%	0.745	S	S	*	*			cis	-149.2	140.1	22.8	-146.5	174	-59.1	0	0	113.7
238	V	24.8	Very low	28.6	Very low	137 Å²	137	129.5 Å²	129.5	83%	0.83	77%	0.77	S	S	*	*			trans	44.6	127.1	143.6	176.5	0	0	0	0	122.7
239	G	25.2	Very low	29	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	78%	0.776	S	S	*	*			trans	173.8	79.2	157.7	0	0	0	0	0	119.7
240	W	26.1	Very low	29.2	Very low	245 Å²	245	130.4 Å²	130.4	93%	0.928	77%	0.771	S	S	*	*			trans	62.3	102.5	150.9	-61.2	81.5	0	0	0	124.1
241	A	25.5	Very low	29.5	Very low	104 Å²	104	130.5 Å²	130.5	86%	0.86	77%	0.765	S	S	*	*				50.6	130.3	127.4	0	0	0	0	0	125.6
242	G	28.2	Very low	29.6	Very low	85 Å²	85	133 Å²	133	88%	0.876	78%	0.777	S	S	*	*			trans	165.4	122.2	159.8	0	0	0	0	0	114
243	E	31	Very low	29.5	Very low	184 Å²	184	130.7 Å²	130.7	86%	0.86	77%	0.773	S	S	*	*			trans	-117.8	153.2	-158.4	-170.6	178.7	160	0	0	115.8
244	P	38.8	Very low	29.7	Very low	113 Å²	113	126.9 Å²	126.9	73%	0.734	78%	0.777	S	S	*	*			trans	-99.6	170.8	-169.3	38.8	-36.6	0	0	0	117.3
245	K	33.1	Very low	29.8	Very low	126 Å²	126	128.4 Å²	128.4	55%	0.548	78%	0.781	S	S	.	*			trans	-153	151.1	169	-66.2	-171.6	170.3	62	0	110.4	F370 P371	K245-F370 HydrophobicContact CD-CD1 4.17Å; K245-F370 HydrophobicContact CD-CE1 4Å; K245-F370 HydrophobicContact CD-CZ 4.36Å; K245-F370 VanDerWaalsContact CE-CD1 3.44Å; K245-P371 HydrophobicContact CD-CB 4.48Å
246	G	32.6	Very low	29.8	Very low	78 Å²	78	123 Å²	123	80%	0.804	78%	0.782	S	S	*	*			cis	-174.4	166.7	-1.3	0	0	0	0	0	111.7
247	S	38.9	Very low	30.1	Very low	104 Å²	104	123.6 Å²	123.6	73%	0.727	79%	0.786	S	S	*	*			trans	-89.8	-173.7	-169.6	-165	0	0	0	0	114.4	V249	S247-V249 PolarHBondContact OG-N 3.48Å
248	P	34.1	Very low	30.3	Very low	121 Å²	121	120.9 Å²	120.9	79%	0.786	78%	0.781	S	S	*	*				-150	127.9	83.2	36.6	-16	0	0	0	119
249	V	37.2	Very low	30.3	Very low	130 Å²	130	120.7 Å²	120.7	79%	0.788	78%	0.78	S	S	*	*				33.4	127.9	117.9	-174.6	0	0	0	0	122.2	S247	S247-V249 PolarHBondContact OG-N 3.48Å
250	S	32.7	Very low	30.3	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	79%	0.785	S	S	*	*				-168.7	144.3	116.5	65.2	0	0	0	0	108.9
251	L	32.4	Very low	30.2	Very low	141 Å²	141	119.5 Å²	119.5	74%	0.738	78%	0.78	S	S	*	*				-175.5	127.3	60.7	-177.4	72.5	0	0	0	111.3
252	I	29.9	Very low	30.2	Very low	154 Å²	154	118.3 Å²	118.3	79%	0.79	77%	0.77	S	S	*	*			trans	62.3	146.7	154.9	-63.3	168.5	0	0	0	119.4
253	A	25.3	Very low	30.1	Very low	94 Å²	94	120.3 Å²	120.3	78%	0.777	77%	0.765	S	S	*	*				-178.2	142.7	-56.3	0	0	0	0	0	108.6
254	G	29.4	Very low	30	Very low	78 Å²	78	116.1 Å²	116.1	80%	0.804	76%	0.757	S	S	*	*			trans	105.3	132.2	173.9	0	0	0	0	0	113.5
255	S	27.7	Very low	29.5	Very low	124 Å²	124	118.3 Å²	118.3	87%	0.867	76%	0.757	S	S	*	*			cis	-153.4	174	-11.6	55.6	0	0	0	0	109.4
256	A	25.7	Very low	29.2	Very low	97 Å²	97	118.4 Å²	118.4	80%	0.802	76%	0.762	S	S	*	*			trans	-74.2	147.3	-164.4	0	0	0	0	0	115
257	N	29.5	Very low	28.8	Very low	151 Å²	151	120 Å²	120	81%	0.807	76%	0.76	S	S	*	*			trans	-51.8	152	150.2	-156.8	44.8	0	0	0	109.2
258	P	29.1	Very low	28.2	Very low	103 Å²	103	120.8 Å²	120.8	67%	0.669	76%	0.761	S	S	*	*			cis	-133.1	166.1	18.5	42	-26.6	0	0	0	115.7
259	V	24.8	Very low	28	Very low	134 Å²	134	120.7 Å²	120.7	81%	0.812	76%	0.763	S	S	*	*			trans	-179.8	157	137.2	139.3	0	0	0	0	111.1
260	Q	23.7	Very low	27.5	Very low	166 Å²	166	117.8 Å²	117.8	78%	0.776	76%	0.759	S	S	*	*			trans	-62.9	167.9	177.8	-56.8	161.4	-79	0	0	113.5
261	S	23.9	Very low	27.1	Very low	118 Å²	118	116.8 Å²	116.8	83%	0.825	77%	0.765	S	S	*	*			trans	74.6	150.5	164	-39.8	0	0	0	0	114.5
262	A	26	Very low	26.8	Very low	80 Å²	80	113.8 Å²	113.8	66%	0.661	77%	0.768	S	S	*	*			cis	-167.7	172.9	-24	0	0	0	0	0	106.5
263	T	26.6	Very low	26.7	Very low	126 Å²	126	112.3 Å²	112.3	77%	0.773	77%	0.772	S	S	*	*			trans	75	123	154.5	-46.5	0	0	0	0	117
264	S	28.7	Very low	26.9	Very low	97 Å²	97	115 Å²	115	68%	0.678	77%	0.771	S	S	*	*			trans	-33.8	164.1	155.8	54.8	0	0	0	0	115.4
265	E	27.9	Very low	27	Very low	159 Å²	159	116.7 Å²	116.7	74%	0.743	77%	0.771	S	S	*	*				-158.1	135.7	90.3	-97.2	-174.1	158.5	0	0	114.1
266	I	26.3	Very low	27	Very low	127 Å²	127	115.3 Å²	115.3	65%	0.651	76%	0.759	S	S	*	*			trans	71.5	112.2	133.3	-64	168	0	0	0	116.5
267	C	25.8	Very low	26.9	Very low	113 Å²	113	118.4 Å²	118.4	76%	0.764	76%	0.76	S	S	*	*				57.4	143.5	83.6	-96.9	0	0	0	0	113.3
268	T	26	Very low	26.6	Very low	120 Å²	120	120.5 Å²	120.5	74%	0.736	76%	0.762	S	S	*	*			cis	-162.7	161.9	27.8	-14.9	0	0	0	0	110.1
269	S	28.7	Very low	26.4	Very low	119 Å²	119	125.1 Å²	125.1	83%	0.832	78%	0.775	S	S	*	*			trans	68.3	123	142.9	-173.9	0	0	0	0	120.7
270	G	27.3	Very low	26.4	Very low	68 Å²	68	123 Å²	123	70%	0.701	77%	0.771	S	S	*	*				132.9	54	107.2	0	0	0	0	0	121.6
271	G	25.5	Very low	26.5	Very low	84 Å²	84	120.2 Å²	120.2	87%	0.866	78%	0.777	S	S	*	*			trans	66	-177.6	145.6	0	0	0	0	0	119.4
272	G	24.5	Very low	26.5	Very low	77 Å²	77	121.8 Å²	121.8	79%	0.794	77%	0.774	S	S	*	*			trans	103.2	96.4	173.5	0	0	0	0	0	114.9	I274	G272-I274 PolarHBondContact O-N 2.89Å
273	S	27.6	Very low	26.4	Very low	124 Å²	124	126.4 Å²	126.4	87%	0.867	78%	0.784	S	S	*	*			trans	-72.6	115.5	168.8	175.7	0	0	0	0	110.7
274	I	29.4	Very low	26.3	Very low	150 Å²	150	124.8 Å²	124.8	77%	0.769	78%	0.784	S	S	*	*			trans	-140.7	116.5	159.2	-50	178.9	0	0	0	107.9	G272 P276	G272-I274 PolarHBondContact O-N 2.89Å; I274-P276 HydrophobicContact CG2-CG 4.23Å; I274-P276 WeakPolarHBondContact O-CD 3.39Å
275	S	31.8	Very low	26.2	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	80%	0.795	S	S	*	*			trans	-93.3	117.2	168.9	55.4	0	0	0	0	110.4
276	P	28.4	Very low	26.1	Very low	95 Å²	95	126.5 Å²	126.5	62%	0.617	79%	0.794	S	S	*	*			trans	-139.7	138.7	146.6	20	2.3	0	0	0	114.4	I274	I274-P276 HydrophobicContact CG2-CG 4.23Å; I274-P276 WeakPolarHBondContact O-CD 3.39Å
277	I	23.4	Very low	26	Very low	161 Å²	161	125.6 Å²	125.6	83%	0.826	80%	0.797	S	S	*	*			trans	72.3	117.4	141.7	-54.5	163.7	0	0	0	118.6
278	K	24.1	Very low	26	Very low	196 Å²	196	126.6 Å²	126.6	85%	0.852	80%	0.799	S	S	*	*			trans	-22.7	125.9	155.2	-59	166.1	176.3	175.9	0	116.2
279	E	25.2	Very low	26.2	Very low	200 Å²	200	123.7 Å²	123.7	94%	0.935	78%	0.784	S	S	*	*			trans	-131.4	154.3	140.2	-78.6	-155.3	145.8	0	0	110.7
280	A	23.1	Very low	26.4	Very low	88 Å²	88	123.3 Å²	123.3	73%	0.727	78%	0.778	S	S	*	*			trans	-103	118	-163.5	0	0	0	0	0	112.7	I282	A280-I282 PolarHBondContact O-N 2.73Å
281	A	26.5	Very low	26.6	Very low	108 Å²	108	126.1 Å²	126.1	89%	0.893	77%	0.771	S	S	*	*			trans	-95.6	77.2	161.8	0	0	0	0	0	109.9	M283	A281-M283 PolarHBondContact O-N 2.86Å
282	I	24.4	Very low	26.9	Very low	151 Å²	151	123.3 Å²	123.3	77%	0.774	74%	0.736	S	S	*	*			trans	-75.6	111.7	162.9	-61.7	171.4	0	0	0	106.4	A280	A280-I282 PolarHBondContact O-N 2.73Å
283	M	24.2	Very low	27.3	Very low	178 Å²	178	125.8 Å²	125.8	88%	0.877	73%	0.725	S	S	*	*			trans	169.8	64.2	148	-90.6	-55.7	-81	0	0	111.1	A281	A281-M283 PolarHBondContact O-N 2.86Å
284	A	24.6	Very low	27.8	Very low	92 Å²	92	120.5 Å²	120.5	76%	0.76	69%	0.687	S	S	*	*	S	Bend	trans	-151.9	113.5	157	0	0	0	0	0	108.5	I286	A284-I286 PolarHBondContact O-N 3.47Å; A284-I286 VanDerWaalsContact O-N 3.11Å
285	T	26	Very low	28.1	Very low	148 Å²	148	117.2 Å²	117.2	91%	0.908	67%	0.669	S	S	*	*			trans	-66	110.3	-171.4	-16.1	0	0	0	0	110.7	P287	T285-P287 VanDerWaalsContact O-CD 3.23Å; T285-P287 WeakPolarHBondContact O-CD 3.39Å
286	I	24.8	Very low	28.5	Very low	143 Å²	143	115.9 Å²	115.9	73%	0.733	66%	0.655	S	S	*	*			trans	-67.2	118.1	176.5	-58.9	170.2	0	0	0	108.5	A284 V288	A284-I286 PolarHBondContact O-N 3.47Å; A284-I286 VanDerWaalsContact O-N 3.11Å; I286-V288 PolarHBondContact O-N 3.38Å
287	P	25.3	Very low	28.8	Very low	108 Å²	108	114.8 Å²	114.8	70%	0.701	65%	0.647	S	S	*	*			trans	-70.8	103.3	166.1	29.4	-30.9	0	0	0	107.8	T285 S289	T285-P287 VanDerWaalsContact O-CD 3.23Å; T285-P287 WeakPolarHBondContact O-CD 3.39Å; P287-S289 PolarHBondContact O-N 3.01Å
288	V	25.6	Very low	29.4	Very low	135 Å²	135	115 Å²	115	82%	0.818	65%	0.65	S	S	*	*			trans	-54.8	109.1	175.7	178.8	0	0	0	0	108.4	I286	I286-V288 PolarHBondContact O-N 3.38Å
289	S	30	Very low	29.8	Very low	58 Å²	58	107.3 Å²	107.3	41%	0.406	63%	0.626	S	S	.	*			trans	-75.2	140.2	174.8	-29.1	0	0	0	0	108.1	P287 F291	P287-S289 PolarHBondContact O-N 3.01Å; S289-F291 VanDerWaalsContact CB-CE2 3.41Å; S289-F291 WeakPolarHBondContact O-CD2 3.41Å; S289-F291 PolarHBondContact O-N 2.98Å; S289-F291 WeakPolarHBondContact OG-CE2 3.14Å
290	P	32.5	Very low	30.1	Very low	111 Å²	111	103 Å²	103	72%	0.721	60%	0.604	S	S	*	*			trans	-74.7	72.9	176	31.2	-34.6	0	0	0	110.2
291	F	31	Very low	30.6	Very low	127 Å²	127	101.5 Å²	101.5	56%	0.557	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-67.3	144.1	177.4	-69.6	-69.4	0	0	0	111.3	S289 V535	S289-F291 VanDerWaalsContact CB-CE2 3.41Å; S289-F291 WeakPolarHBondContact O-CD2 3.41Å; S289-F291 PolarHBondContact O-N 2.98Å; S289-F291 WeakPolarHBondContact OG-CE2 3.14Å; F291-V535 HydrophobicContact CE1-CG1 4.43Å; F291-V535 HydrophobicContact CE1-CG2 4.16Å
292	L	33.2	Very low	31.1	Very low	25 Å²	25	99.5 Å²	99.5	13%	0.131	57%	0.568	C	S	.	*	P	Polyproline II helix	trans	-90.6	117.6	-174.6	-165.7	166.9	0	0	0	109.4	I294 S305	L292-I294 HydrophobicContact CD2-CD1 4.24Å; L292-I294 HydrophobicContact CD2-CG1 3.48Å; L292-I294 VanDerWaalsContact CD2-CG1 3.48Å; L292-S305 WeakPolarHBondContact CB-OG 3.34Å; L292-S305 WeakPolarHBondContact CD1-O 3.16Å; L292-S305 WeakPolarHBondContact CG-O 3.4Å; L292-S305 WeakPolarHBondContact CG-OG 3.41Å
293	K	32.9	Very low	31.9	Very low	130 Å²	130	94.3 Å²	94.3	57%	0.565	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-97.8	122.7	174.1	-163.6	-176.5	-178.8	-162.8	0	109.1	E295 T304	K293-E295 HydrophobicContact CD-CG 4.08Å; K293-E295 WeakPolarHBondContact CD-OE1 3.34Å; K293-E295 WeakPolarHBondContact CE-OE1 3.31Å; K293-E295 HydrophobicContact CG-CG 4.13Å; K293-E295 IonicContact NZ-OE1 2.65Å; K293-E295 PolarHBondContact NZ-OE1 2.83Å; K293-T304 WeakPolarHBondContact CB-OG1 3.27Å; K293-T304 PolarHBondContact N-OG1 3.24Å; K293-T304 WeakPolarHBondContact O-CB 3.06Å; K293-T304 WeakPolarHBondContact O-CG2 3.27Å; K293-T304 PolarHBondContact O-N 3.3Å; K293-T304 PolarHBondContact O-OG1 3.37Å
294	I	36.5	Very low	32.9	Very low	13 Å²	13	89.7 Å²	89.7	7%	0.067	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.6	172.1	-54.7	-179.9	0	0	0	108.2	L292 A301 T303 K524 M527	L292-I294 HydrophobicContact CD2-CD1 4.24Å; L292-I294 HydrophobicContact CD2-CG1 3.48Å; L292-I294 VanDerWaalsContact CD2-CG1 3.48Å; I294-A301 HydrophobicContact CG2-CB 4.07Å; I294-T303 HydrophobicContact CG1-CG2 4.39Å; I294-K524 PolarHBondContact O-NZ 2.87Å; I294-K524 VanDerWaalsContact O-NZ 3.1Å; I294-M527 HydrophobicContact CD1-CE 3.96Å
295	E	36.2	Very low	33.8	Very low	81 Å²	81	86.5 Å²	86.5	38%	0.379	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.2	175	-63	-167.6	160.2	0	0	110.1	K293 V302	K293-E295 HydrophobicContact CD-CG 4.08Å; K293-E295 WeakPolarHBondContact CD-OE1 3.34Å; K293-E295 WeakPolarHBondContact CE-OE1 3.31Å; K293-E295 HydrophobicContact CG-CG 4.13Å; K293-E295 IonicContact NZ-OE1 2.65Å; K293-E295 PolarHBondContact NZ-OE1 2.83Å; E295-V302 PolarHBondContact N-O 3.4Å; E295-V302 VanDerWaalsContact N-O 3.16Å; E295-V302 PolarHBondContact O-N 2.86Å
296	V	40.7	Very low	34.5	Very low	85 Å²	85	81.6 Å²	81.6	52%	0.515	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.2	174.4	178.6	0	0	0	0	107.8	K300	V296-K300 WeakPolarHBondContact CA-O 3.42Å
297	V	35.6	Very low	35.1	Very low	72 Å²	72	81.5 Å²	81.5	44%	0.436	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.6	174.4	-175.1	0	0	0	0	107.4	G299 K300 V302	V297-G299 VanDerWaalsContact C-N 3.27Å; V297-G299 PolarHBondContact O-N 3.46Å; V297-K300 PolarHBondContact N-O 3.4Å; V297-K300 PolarHBondContact O-N 2.98Å; V297-V302 HydrophobicContact CB-CG2 3.95Å; V297-V302 HydrophobicContact CG2-CB 4.47Å; V297-V302 HydrophobicContact CG2-CG2 4Å
298	N	34.3	Very low	35.8	Very low	166 Å²	166	76.8 Å²	76.8	89%	0.888	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.5	-179.5	-59.9	-8.4	0	0	0	114.2	K300	N298-K300 PolarHBondContact O-N 3.46Å
299	G	33.6	Very low	36.4	Very low	34 Å²	34	73.2 Å²	73.2	35%	0.351	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-0.5	-180	0	0	0	0	0	115.4	V297	V297-G299 VanDerWaalsContact C-N 3.27Å; V297-G299 PolarHBondContact O-N 3.46Å
300	K	30.5	Very low	37	Very low	109 Å²	109	71.1 Å²	71.1	47%	0.474	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.6	169.5	-69.9	-163.7	169.1	-127.2	0	111.2	V296 V297 N298 V302 E507	V296-K300 WeakPolarHBondContact CA-O 3.42Å; V297-K300 PolarHBondContact N-O 3.4Å; V297-K300 PolarHBondContact O-N 2.98Å; N298-K300 PolarHBondContact O-N 3.46Å; K300-V302 PolarHBondContact O-N 2.97Å; K300-E507 IonicContact NZ-OE1 3.06Å; K300-E507 PolarHBondContact NZ-OE1 3.46Å
301	A	34.8	Very low	37.5	Very low	57 Å²	57	69.3 Å²	69.3	47%	0.471	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	109.7	169.6	0	0	0	0	0	109.5	I294	I294-A301 HydrophobicContact CG2-CB 4.07Å
302	V	37	Very low	37.8	Very low	66 Å²	66	65.8 Å²	65.8	40%	0.4	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.8	176.5	-177.2	0	0	0	0	108.3	E295 V297 K300 T304	E295-V302 PolarHBondContact N-O 3.4Å; E295-V302 VanDerWaalsContact N-O 3.16Å; E295-V302 PolarHBondContact O-N 2.86Å; V297-V302 HydrophobicContact CB-CG2 3.95Å; V297-V302 HydrophobicContact CG2-CB 4.47Å; V297-V302 HydrophobicContact CG2-CG2 4Å; K300-V302 PolarHBondContact O-N 2.97Å; V302-T304 PolarHBondContact O-N 3.49Å
303	T	41.5	Very low	38.2	Very low	42 Å²	42	65.7 Å²	65.7	26%	0.258	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.9	177.3	54.1	0	0	0	0	110.3	I294 S305	I294-T303 HydrophobicContact CG1-CG2 4.39Å; T303-S305 VanDerWaalsContact C-N 3.29Å; T303-S305 PolarHBondContact O-N 3.5Å
304	T	45.4	Very low	38.4	Very low	81 Å²	81	65.7 Å²	65.7	50%	0.497	35%	0.351	S	S	.	.	S	Bend	trans	-82.1	0.7	-179.2	68.7	0	0	0	0	114.6	K293 V302	K293-T304 WeakPolarHBondContact CB-OG1 3.27Å; K293-T304 PolarHBondContact N-OG1 3.24Å; K293-T304 WeakPolarHBondContact O-CB 3.06Å; K293-T304 WeakPolarHBondContact O-CG2 3.27Å; K293-T304 PolarHBondContact O-N 3.3Å; K293-T304 PolarHBondContact O-OG1 3.37Å; V302-T304 PolarHBondContact O-N 3.49Å
305	S	42.7	Very low	38.3	Very low	26 Å²	26	69.8 Å²	69.8	18%	0.182	37%	0.373	C	S	.	.			trans	-139.8	144.7	168.6	123.7	0	0	0	0	113.4	L292 T303 F307	L292-S305 WeakPolarHBondContact CB-OG 3.34Å; L292-S305 WeakPolarHBondContact CD1-O 3.16Å; L292-S305 WeakPolarHBondContact CG-O 3.4Å; L292-S305 WeakPolarHBondContact CG-OG 3.41Å; T303-S305 VanDerWaalsContact C-N 3.29Å; T303-S305 PolarHBondContact O-N 3.5Å; S305-F307 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 3.24Å; S305-F307 PolarHBondContact OG-N 2.88Å
306	L	40	Very low	38.1	Very low	44 Å²	44	67 Å²	67	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-72.6	-24.5	-176	-168.4	66.9	0	0	0	112.1	L310 L478 L481	L306-L310 HydrophobicContact CD1-CD1 4.46Å; L306-L310 HydrophobicContact CD2-CD1 4.15Å; L306-L310 HydrophobicContact CG-CD1 3.69Å; L306-L310 HydrophobicContact CG-CG 4.26Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CD1 3.47Å; L306-L310 WeakPolarHBondContact O-CG 3.35Å; L306-L310 PolarHBondContact O-N 3.21Å; L306-L478 HydrophobicContact CD1-CD1 3.89Å; L306-L481 HydrophobicContact CD1-CD2 3.76Å; L306-L481 HydrophobicContact CD1-CG 4.14Å; L306-L481 HydrophobicContact CD2-CD2 3.67Å; L306-L481 HydrophobicContact CD2-CG 4Å; L306-L481 HydrophobicContact CG-CD2 4.36Å
307	F	38.6	Very low	37.8	Very low	141 Å²	141	64.8 Å²	64.8	62%	0.618	36%	0.357	S	S	*	.	H	α-helix	trans	-73.3	-43.6	-160.5	-172	-101.7	0	0	0	114.3	S305 K311	S305-F307 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 3.24Å; S305-F307 PolarHBondContact OG-N 2.88Å; F307-K311 PolarHBondContact O-N 2.99Å; F307-K311 VanDerWaalsContact O-N 3.11Å
308	G	39.9	Very low	37.5	Very low	9 Å²	9	65.3 Å²	65.3	9%	0.093	36%	0.361	C	S	.	.	H	α-helix	trans	-71.5	-40.7	-179.1	0	0	0	0	0	112.9	L310 K311 L312	G308-L310 VanDerWaalsContact C-N 3.32Å; G308-L310 PolarHBondContact O-N 3.31Å; G308-K311 WeakPolarHBondContact O-CB 3.3Å; G308-K311 PolarHBondContact O-N 2.83Å; G308-L312 PolarHBondContact O-N 2.86Å
309	Y	37.9	Very low	37.2	Very low	61 Å²	61	62.5 Å²	62.5	24%	0.239	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-40.9	175.3	-170.8	-94.7	0	0	0	111.5	K311 L312 L313 M482	Y309-K311 VanDerWaalsContact C-N 3.33Å; Y309-K311 PolarHBondContact O-N 2.96Å; Y309-L312 PolarHBondContact O-N 3.41Å; Y309-L313 HydrophobicContact CD1-CD1 3.81Å; Y309-L313 HydrophobicContact CD1-CG 4.49Å; Y309-L313 HydrophobicContact CE1-CD1 3.37Å; Y309-L313 HydrophobicContact CE1-CG 4.14Å; Y309-L313 PolarHBondContact O-N 2.94Å; Y309-M482 HydrophobicContact CD1-CG 4.46Å; Y309-M482 HydrophobicContact CD1-SD 4.25Å; Y309-M482 HydrophobicContact CE1-CE 3.72Å; Y309-M482 HydrophobicContact CE1-CG 4.21Å; Y309-M482 HydrophobicContact CE1-SD 3.53Å; Y309-M482 VanDerWaalsContact CE1-SD 3.53Å
310	L	42.3	Very low	37	Very low	13 Å²	13	63.1 Å²	63.1	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-30	172.2	-70.6	175.7	0	0	0	114.1	L306 G308 R314 Q485	L306-L310 HydrophobicContact CD1-CD1 4.46Å; L306-L310 HydrophobicContact CD2-CD1 4.15Å; L306-L310 HydrophobicContact CG-CD1 3.69Å; L306-L310 HydrophobicContact CG-CG 4.26Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CD1 3.47Å; L306-L310 WeakPolarHBondContact O-CG 3.35Å; L306-L310 PolarHBondContact O-N 3.21Å; G308-L310 VanDerWaalsContact C-N 3.32Å; G308-L310 PolarHBondContact O-N 3.31Å; L310-R314 WeakPolarHBondContact O-CG 3.38Å; L310-R314 PolarHBondContact O-N 3.23Å; L310-Q485 HydrophobicContact CD1-CB 4.27Å; L310-Q485 HydrophobicContact CD1-CG 3.5Å; L310-Q485 VanDerWaalsContact CD1-CG 3.5Å; L310-Q485 HydrophobicContact CD2-CB 3.98Å; L310-Q485 HydrophobicContact CD2-CG 3.67Å; L310-Q485 HydrophobicContact CG-CG 4.15Å
311	K	42.9	Very low	36.8	Very low	73 Å²	73	66 Å²	66	32%	0.317	37%	0.367	S	S	.	.	H	α-helix	trans	-69.7	-41.4	175.1	-160.1	171.3	-171.8	173.5	0	110.8	F307 G308 Y309 R314 L315 S534	F307-K311 PolarHBondContact O-N 2.99Å; F307-K311 VanDerWaalsContact O-N 3.11Å; G308-K311 WeakPolarHBondContact O-CB 3.3Å; G308-K311 PolarHBondContact O-N 2.83Å; Y309-K311 VanDerWaalsContact C-N 3.33Å; Y309-K311 PolarHBondContact O-N 2.96Å; K311-R314 PolarHBondContact O-N 3.06Å; K311-L315 WeakPolarHBondContact O-CG 3.31Å; K311-L315 PolarHBondContact O-N 2.91Å; K311-S534 WeakPolarHBondContact CE-OG 3.35Å; K311-S534 PolarHBondContact NZ-O 3.38Å; K311-S534 VanDerWaalsContact NZ-O 3.14Å; K311-S534 PolarHBondContact NZ-OG 3.39Å
312	L	37.9	Very low	36.5	Very low	54 Å²	54	67 Å²	67	28%	0.283	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-44	173.6	-67.7	172.1	0	0	0	112	G308 Y309 R314 L315 A316 M527 L530	G308-L312 PolarHBondContact O-N 2.86Å; Y309-L312 PolarHBondContact O-N 3.41Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 3.21Å; L312-L315 WeakPolarHBondContact O-CB 3.29Å; L312-L315 PolarHBondContact O-N 3.49Å; L312-L315 VanDerWaalsContact O-N 3.11Å; L312-A316 WeakPolarHBondContact O-CB 3.43Å; L312-A316 PolarHBondContact O-N 3.41Å; L312-M527 HydrophobicContact CD1-CE 3.71Å; L312-M527 HydrophobicContact CD1-CG 4.09Å; L312-M527 HydrophobicContact CD1-SD 4.38Å; L312-L530 HydrophobicContact CD2-CD1 4.01Å
313	L	40.4	Very low	36	Very low	22 Å²	22	69 Å²	69	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-66	-31.7	176	-77.8	173.4	0	0	0	113.7	Y309 L315 A316 G317 M482 F503	Y309-L313 HydrophobicContact CD1-CD1 3.81Å; Y309-L313 HydrophobicContact CD1-CG 4.49Å; Y309-L313 HydrophobicContact CE1-CD1 3.37Å; Y309-L313 HydrophobicContact CE1-CG 4.14Å; Y309-L313 PolarHBondContact O-N 2.94Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-A316 PolarHBondContact O-N 2.61Å; L313-G317 PolarHBondContact O-N 3.11Å; L313-M482 HydrophobicContact CD1-CE 3.81Å; L313-F503 HydrophobicContact CD2-CE2 4.27Å
314	R	38.6	Very low	35.3	Very low	131 Å²	131	74.9 Å²	74.9	49%	0.494	40%	0.398	S	S	.	.	H	α-helix	trans	-66.1	-32.6	171	-79.9	178.2	175.9	172.8	0.1	112.8	L227 L310 K311 L312	L227-R314 PolarHBondContact O-NH2 3.37Å; L310-R314 WeakPolarHBondContact O-CG 3.38Å; L310-R314 PolarHBondContact O-N 3.23Å; K311-R314 PolarHBondContact O-N 3.06Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 3.21Å
315	L	34.3	Very low	34.4	Very low	99 Å²	99	77.5 Å²	77.5	52%	0.518	41%	0.414	S	S	.	.	H	α-helix	trans	-77	-40	174.2	-68.3	166.1	0	0	0	111.8	K311 L312 L313 G317 V318	K311-L315 WeakPolarHBondContact O-CG 3.31Å; K311-L315 PolarHBondContact O-N 2.91Å; L312-L315 WeakPolarHBondContact O-CB 3.29Å; L312-L315 PolarHBondContact O-N 3.49Å; L312-L315 VanDerWaalsContact O-N 3.11Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L315-G317 PolarHBondContact O-N 3.02Å; L315-V318 WeakPolarHBondContact O-CB 3.38Å; L315-V318 WeakPolarHBondContact O-CG2 3.4Å; L315-V318 PolarHBondContact O-N 3.34Å
316	A	32.1	Very low	33.6	Very low	22 Å²	22	79.6 Å²	79.6	18%	0.182	43%	0.432	C	S	.	.	H	α-helix	trans	-68.1	-21.2	175.3	0	0	0	0	0	113.2	L312 L313 V318 I322	L312-A316 WeakPolarHBondContact O-CB 3.43Å; L312-A316 PolarHBondContact O-N 3.41Å; L313-A316 PolarHBondContact O-N 2.61Å; A316-V318 PolarHBondContact O-N 3.05Å; A316-I322 HydrophobicContact CB-CD1 4.11Å; A316-I322 HydrophobicContact CB-CG1 4.12Å
317	G	34.1	Very low	32.9	Very low	38 Å²	38	84 Å²	84	39%	0.392	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.3	170.1	0	0	0	0	0	115.2	L313 L315 P319	L313-G317 PolarHBondContact O-N 3.11Å; L315-G317 PolarHBondContact O-N 3.02Å; G317-P319 WeakPolarHBondContact O-CD 3.27Å
318	V	29.2	Very low	32.2	Very low	83 Å²	83	82.8 Å²	82.8	50%	0.503	46%	0.461	S	S	.	.	S	Bend	trans	-82.9	112.9	163.9	-178.7	0	0	0	0	108.2	L315 A316 G320 Y321	L315-V318 WeakPolarHBondContact O-CB 3.38Å; L315-V318 WeakPolarHBondContact O-CG2 3.4Å; L315-V318 PolarHBondContact O-N 3.34Å; A316-V318 PolarHBondContact O-N 3.05Å; V318-G320 PolarHBondContact O-N 3.42Å; V318-Y321 PolarHBondContact O-N 3.41Å
319	P	27.9	Very low	31.4	Very low	107 Å²	107	87.8 Å²	87.8	70%	0.695	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	103.8	179.8	25.9	-33	0	0	0	109.7	G317	G317-P319 WeakPolarHBondContact O-CD 3.27Å
320	G	28.1	Very low	30.6	Very low	48 Å²	48	89.3 Å²	89.3	50%	0.495	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	148.3	-26.5	-172.4	0	0	0	0	0	113.9	V318	V318-G320 PolarHBondContact O-N 3.42Å
321	Y	27.9	Very low	29.8	Very low	169 Å²	169	94.7 Å²	94.7	66%	0.663	55%	0.551	S	S	*	*	S	Bend	trans	-81.7	-29.8	-175.2	-121.2	-90.6	0	0	0	114.8	V318	V318-Y321 PolarHBondContact O-N 3.41Å
322	I	28.9	Very low	28.9	Very low	77 Å²	77	95.1 Å²	95.1	40%	0.395	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-81.6	-26.1	-177.9	-58.3	178	0	0	0	112	A316 R324 V325	A316-I322 HydrophobicContact CB-CD1 4.11Å; A316-I322 HydrophobicContact CB-CG1 4.12Å; I322-R324 PolarHBondContact O-N 2.8Å; I322-V325 PolarHBondContact O-N 2.9Å
323	S	25.7	Very low	28.2	Very low	108 Å²	108	100.7 Å²	100.7	76%	0.755	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-73.3	14.5	-177.8	-164.6	0	0	0	0	115
324	R	26.7	Very low	27.4	Very low	167 Å²	167	111 Å²	111	63%	0.63	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-128	0.2	179.6	-68	-170.2	177.9	-153.5	-3.9	114.7	S60 I322	S60-R324 PolarHBondContact O-NH2 3.46Å; I322-R324 PolarHBondContact O-N 2.8Å
325	V	27.1	Very low	26.7	Very low	136 Å²	136	112.1 Å²	112.1	82%	0.824	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-16.6	-178.8	-174.8	0	0	0	0	112.3	I322	I322-V325 PolarHBondContact O-N 2.9Å
326	A	24.1	Very low	26.3	Very low	69 Å²	69	113.1 Å²	113.1	57%	0.57	67%	0.669	S	S	*	*	S	Bend	trans	-95.4	153.7	157	0	0	0	0	0	109.7
327	V	25.3	Very low	25.9	Very low	137 Å²	137	120.8 Å²	120.8	83%	0.83	70%	0.698	S	S	*	*	S	Bend	trans	69.9	102.5	-179.6	-165.5	0	0	0	0	112.5
328	N	24.9	Very low	25.4	Very low	116 Å²	116	126.3 Å²	126.3	62%	0.62	71%	0.713	S	S	*	*			cis	-168.4	127.9	40.8	-159.3	15.1	0	0	0	110.5
329	P	22.5	Very low	25.3	Very low	113 Å²	113	130.1 Å²	130.1	73%	0.734	73%	0.725	S	S	*	*	S	Bend	trans	-71.4	147.3	163.2	32	-32.4	0	0	0	109.7
330	A	22.3	Very low	25.1	Very low	94 Å²	94	131.2 Å²	131.2	78%	0.777	73%	0.73	S	S	*	*	S	Bend	trans	60	82.2	177.3	0	0	0	0	0	116.8
331	T	25.6	Very low	24.9	Very low	126 Å²	126	132.6 Å²	132.6	77%	0.773	74%	0.744	S	S	*	*			trans	-158.6	121.5	135.2	0.9	0	0	0	0	110.1
332	G	22.4	Very low	24.7	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	75%	0.75	S	S	*	*			trans	-80.6	133	-172	0	0	0	0	0	113.3
333	L	23.6	Very low	24.4	Very low	171 Å²	171	133.6 Å²	133.6	90%	0.895	77%	0.765	S	S	*	*			trans	-106.5	116	166.6	-159	70.5	0	0	0	109.7	I335	L333-I335 PolarHBondContact O-N 3.44Å
334	R	23.7	Very low	24.5	Very low	239 Å²	239	139 Å²	139	90%	0.902	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-65.4	125.3	178.3	-74.3	175	169.5	167.3	-4.3	110.3	P336	R334-P336 WeakPolarHBondContact O-CD 3.49Å
335	I	24.7	Very low	24.3	Very low	155 Å²	155	139.5 Å²	139.5	80%	0.795	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.3	118	161.7	-58.5	173.9	0	0	0	107.9	L333 K337	L333-I335 PolarHBondContact O-N 3.44Å; I335-K337 PolarHBondContact O-N 3.37Å
336	P	25.1	Very low	24.4	Very low	120 Å²	120	142 Å²	142	78%	0.779	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66.3	129.7	169.2	-16.5	31.8	0	0	0	109.9	R334	R334-P336 WeakPolarHBondContact O-CD 3.49Å
337	K	24.1	Very low	24.4	Very low	182 Å²	182	149.5 Å²	149.5	79%	0.791	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.5	167.6	172.1	-65.5	-176.9	175.9	-178	0	110.8	I335	I335-K337 PolarHBondContact O-N 3.37Å
338	H	24.6	Very low	24.3	Very low	155 Å²	155	148 Å²	148	72%	0.718	78%	0.783	S	S	*	*			trans	74.5	146.5	167.3	-77	-96.5	0	0	0	116.2
339	H	25.7	Very low	24.4	Very low	162 Å²	162	152.2 Å²	152.2	75%	0.75	80%	0.796	S	S	*	*			cis	-141.4	155.2	10.1	-112.4	-72.9	0	0	0	112.4
340	T	23.7	Very low	24.3	Very low	131 Å²	131	153.9 Å²	153.9	80%	0.804	80%	0.798	S	S	*	*			trans	-66.8	146.3	163.9	31.8	0	0	0	0	112.7
341	G	24.9	Very low	24.4	Very low	76 Å²	76	153.6 Å²	153.6	78%	0.784	79%	0.79	S	S	*	*			trans	-163	108	173.6	0	0	0	0	0	113.1
342	L	22.6	Very low	24.3	Very low	152 Å²	152	152.3 Å²	152.3	80%	0.796	78%	0.782	S	S	*	*			trans	-79.6	157.1	178.8	-71.3	73.3	0	0	0	112.4
343	T	23.6	Very low	24.4	Very low	116 Å²	116	156.7 Å²	156.7	71%	0.712	78%	0.781	S	S	*	*				138.4	151.7	117.1	60	0	0	0	0	117
344	R	27.2	Very low	24.4	Very low	220 Å²	220	153.5 Å²	153.5	83%	0.83	77%	0.768	S	S	*	*			trans	91.4	90.1	150.9	-74.4	152.7	-170.9	-115.7	0.5	121
345	H	23.3	Very low	24.6	Very low	178 Å²	178	153 Å²	153	82%	0.824	77%	0.768	S	S	*	*				27.3	129.5	115.3	-68.5	-74.2	0	0	0	121
346	K	29.3	Very low	24.5	Very low	190 Å²	190	150.4 Å²	150.4	83%	0.826	76%	0.763	S	S	*	*				-173.7	124.4	107.4	-99.6	167.5	-177.7	-178.8	0	110.5
347	R	23.7	Very low	24.5	Very low	225 Å²	225	154 Å²	154	85%	0.849	77%	0.772	S	S	*	*				63.6	106.2	103.4	-78.3	-166.6	-177.7	-167	1.5	114.4
348	V	23.5	Very low	24.5	Very low	106 Å²	106	150.2 Å²	150.2	64%	0.642	78%	0.775	S	S	*	*				77	120.3	89.3	166.4	0	0	0	0	112.7
349	F	25.3	Very low	24.6	Very low	204 Å²	204	147.8 Å²	147.8	90%	0.895	78%	0.781	S	S	*	*				-163.7	175.8	124.6	-104.5	-67.8	0	0	0	111.2
350	L	22	Very low	24.6	Very low	148 Å²	148	149.1 Å²	149.1	78%	0.775	79%	0.788	S	S	*	*			trans	-126.6	156.6	-147	-114	98.3	0	0	0	114.1
351	S	23.8	Very low	24.7	Very low	88 Å²	88	152.1 Å²	152.1	62%	0.615	80%	0.795	S	S	*	*			trans	83.9	123.8	137	-151.1	0	0	0	0	122.8
352	T	23.3	Very low	24.7	Very low	99 Å²	99	152.2 Å²	152.2	61%	0.607	80%	0.796	S	S	*	*			trans	56.6	125.2	134.5	56.3	0	0	0	0	122.4
353	H	25.5	Very low	24.9	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.806	80%	0.799	S	S	*	*				-176	144.3	88.2	-91.6	95.5	0	0	0	114.6
354	V	22.9	Very low	25.1	Very low	104 Å²	104	149.6 Å²	149.6	63%	0.63	80%	0.802	S	S	*	*			trans	-13.7	138.2	154.7	179.2	0	0	0	0	118.3
355	Y	26.9	Very low	25.1	Very low	229 Å²	229	143.8 Å²	143.8	90%	0.898	80%	0.795	S	S	*	*				-171.9	148.7	114.9	-98.8	-68.9	0	0	0	112.7
356	S	23.1	Very low	25.3	Very low	99 Å²	99	144.4 Å²	144.4	69%	0.692	80%	0.798	S	S	*	*			trans	-121.9	161.8	-172	47.9	0	0	0	0	111.9
357	M	25.6	Very low	25.3	Very low	197 Å²	197	139.9 Å²	139.9	97%	0.97	80%	0.796	S	S	*	*			trans	-167.6	160.1	146.6	-109.4	-177.1	-65.3	0	0	111.8
358	A	24.9	Very low	25.7	Very low	102 Å²	102	134.7 Å²	134.7	84%	0.843	79%	0.792	S	S	*	*			trans	-135.8	169.1	-165.8	0	0	0	0	0	112.8
359	A	26.4	Very low	25.9	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	80%	0.795	S	S	*	*			trans	-160.5	138.1	153.1	0	0	0	0	0	112.2
360	Q	25.7	Very low	25.9	Very low	190 Å²	190	132.9 Å²	132.9	89%	0.888	79%	0.785	S	S	*	*			trans	-105.2	174	168.7	-61.9	-175.3	-71.5	0	0	110.7
361	M	24.3	Very low	26.6	Very low	193 Å²	193	130.1 Å²	130.1	95%	0.951	78%	0.775	S	S	*	*				170.8	146.7	122.8	-90.3	-87.1	-90.9	0	0	113.5
362	G	26.4	Very low	26.8	Very low	79 Å²	79	131.3 Å²	131.3	81%	0.814	78%	0.782	S	S	*	*			trans	122.6	107.8	153.3	0	0	0	0	0	118.7
363	A	27.1	Very low	27	Very low	102 Å²	102	132.9 Å²	132.9	84%	0.843	79%	0.791	S	S	*	*			trans	-94.8	-173.3	166.6	0	0	0	0	0	110.5
364	S	27	Very low	27	Very low	111 Å²	111	130.2 Å²	130.2	78%	0.776	79%	0.793	S	S	*	*			cis	-169.8	154.8	29.8	-166.7	0	0	0	0	114.3
365	S	27	Very low	27.3	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	80%	0.798	S	S	*	*			trans	29.2	128.4	142.2	-162.1	0	0	0	0	123.2
366	E	27.9	Very low	27.3	Very low	191 Å²	191	125.6 Å²	125.6	89%	0.893	80%	0.797	S	S	*	*				178.4	160.6	105.8	-91.6	176.3	-168.2	0	0	112
367	A	27.9	Very low	27.6	Very low	95 Å²	95	125 Å²	125	79%	0.785	80%	0.798	S	S	*	*			trans	-126.4	-153.3	-168	0	0	0	0	0	111.3
368	P	33.8	Very low	27.7	Very low	116 Å²	116	122.8 Å²	122.8	75%	0.753	79%	0.79	S	S	*	*			cis	-138.9	-162.4	-20.2	27.4	-1.7	0	0	0	115.3
369	V	26.9	Very low	27.9	Very low	119 Å²	119	123.5 Å²	123.5	72%	0.721	79%	0.786	S	S	*	*			trans	111.9	96.7	146.9	-168.5	0	0	0	0	121.1
370	F	25.7	Very low	27.9	Very low	153 Å²	153	123.9 Å²	123.9	67%	0.671	78%	0.777	S	S	*	*				34.7	168.6	117.3	-78.9	-108	0	0	0	123.7	K245	K245-F370 HydrophobicContact CD-CD1 4.17Å; K245-F370 HydrophobicContact CD-CE1 4Å; K245-F370 HydrophobicContact CD-CZ 4.36Å; K245-F370 VanDerWaalsContact CE-CD1 3.44Å
371	P	36.8	Very low	27.9	Very low	89 Å²	89	126.6 Å²	126.6	58%	0.578	78%	0.78	S	S	*	*				-149	179.4	-53	44.8	-26.3	0	0	0	116.9	K245	K245-P371 HydrophobicContact CD-CB 4.48Å
372	C	27.3	Very low	27.8	Very low	113 Å²	113	121.8 Å²	121.8	76%	0.764	77%	0.771	S	S	*	*			trans	160	129.9	140.4	-93.4	0	0	0	0	111.6
373	V	27	Very low	27.9	Very low	132 Å²	132	122.2 Å²	122.2	80%	0.8	77%	0.767	S	S	*	*				81.4	128	55.7	172.7	0	0	0	0	111.2
374	S	27.4	Very low	27.8	Very low	119 Å²	119	123 Å²	123	83%	0.832	76%	0.761	S	S	*	*			cis	-170.1	165.2	6.2	48.3	0	0	0	0	114.5
375	G	28.5	Very low	27.7	Very low	71 Å²	71	124.1 Å²	124.1	73%	0.732	76%	0.758	S	S	*	*			trans	140.3	110.2	153.5	0	0	0	0	0	115.4
376	N	27.5	Very low	27.6	Very low	164 Å²	164	128.2 Å²	128.2	88%	0.877	77%	0.766	S	S	*	*				81.4	124.8	76.9	177.2	-31.1	0	0	0	112.9
377	A	29	Very low	27.4	Very low	88 Å²	88	122.1 Å²	122.1	73%	0.727	76%	0.755	S	S	*	*			cis	-159.5	175.3	-5.2	0	0	0	0	0	114.9
378	N	27.2	Very low	27.2	Very low	150 Å²	150	128 Å²	128	80%	0.802	76%	0.763	S	S	*	*			trans	-52.1	-178.6	174.4	-117.1	0.6	0	0	0	117.2
379	P	29.5	Very low	26.8	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	76%	0.763	S	S	*	*			cis	-137.9	167.6	8.8	33.3	-10.5	0	0	0	119.8
380	V	25.2	Very low	26.7	Very low	112 Å²	112	126.6 Å²	126.6	68%	0.679	77%	0.767	S	S	*	*			trans	-70.1	157.2	163.4	166.2	0	0	0	0	112.5
381	W	25.6	Very low	26.7	Very low	247 Å²	247	125.9 Å²	125.9	94%	0.936	78%	0.775	S	S	*	*			trans	-145.3	133.4	138.6	-118.3	65.1	0	0	0	110.2
382	A	23.5	Very low	26.2	Very low	93 Å²	93	125.1 Å²	125.1	77%	0.769	78%	0.783	S	S	*	*			trans	-138.5	135.8	172.7	0	0	0	0	0	108.3
383	A	28.6	Very low	26.2	Very low	88 Å²	88	123.3 Å²	123.3	73%	0.727	78%	0.784	S	S	*	*			trans	-140.2	130.8	177.8	0	0	0	0	0	110.4
384	T	24.3	Very low	26.2	Very low	119 Å²	119	122.6 Å²	122.6	73%	0.73	78%	0.784	S	S	*	*			trans	-87.4	170.4	174.4	45.3	0	0	0	0	111.4
385	N	24.8	Very low	26.1	Very low	133 Å²	133	122 Å²	122	71%	0.711	78%	0.779	S	S	*	*			trans	101	122.9	154.7	-55.9	-32.3	0	0	0	119.4
386	H	24.9	Very low	26.1	Very low	184 Å²	184	128.2 Å²	128.2	85%	0.852	79%	0.786	S	S	*	*			trans	45	116.6	135.1	-67.7	-89	0	0	0	121.3
387	G	23.7	Very low	26.1	Very low	64 Å²	64	124.5 Å²	124.5	66%	0.66	78%	0.778	S	S	*	*				90.7	106.9	120.8	0	0	0	0	0	120.2
388	F	23.6	Very low	25.9	Very low	217 Å²	217	128.5 Å²	128.5	95%	0.952	78%	0.781	S	S	*	*			trans	63.4	151.9	145.5	-76.1	-85.8	0	0	0	122.1
389	A	25.1	Very low	25.8	Very low	90 Å²	90	127 Å²	127	74%	0.744	78%	0.778	S	S	*	*			trans	70.4	116.6	172.6	0	0	0	0	0	116.5
390	S	26.1	Very low	25.6	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	79%	0.785	S	S	*	*				70.9	126.8	83.5	-154.4	0	0	0	0	111.4
391	V	25.9	Very low	25.6	Very low	139 Å²	139	128.9 Å²	128.9	84%	0.842	79%	0.789	S	S	*	*			cis	-144.4	160.6	28.1	175.4	0	0	0	0	107.5
392	G	25.5	Very low	25.6	Very low	73 Å²	73	121.9 Å²	121.9	75%	0.753	78%	0.784	S	S	*	*			cis	143.2	151.2	-0.7	0	0	0	0	0	111.8
393	G	26.8	Very low	25.6	Very low	75 Å²	75	123.9 Å²	123.9	77%	0.773	79%	0.786	S	S	*	*			trans	129.3	83	-173.6	0	0	0	0	0	112.2
394	S	27.4	Very low	25.4	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	79%	0.786	S	S	*	*				78.2	124.4	89.7	-164	0	0	0	0	112.5
395	C	26.3	Very low	25.3	Very low	107 Å²	107	127.7 Å²	127.7	72%	0.723	79%	0.791	S	S	*	*			cis	-149.3	140.2	27.9	36.7	0	0	0	0	114.8
396	K	26.8	Very low	25.5	Very low	202 Å²	202	127.1 Å²	127.1	88%	0.878	79%	0.792	S	S	*	*			trans	27	128.3	142.3	-51.9	176.6	-176.9	178.8	0	117.6
397	A	27.9	Very low	25.8	Very low	85 Å²	85	124.3 Å²	124.3	70%	0.702	79%	0.788	S	S	*	*			cis	-169.1	146.7	47.7	0	0	0	0	0	113.7
398	H	24.6	Very low	25.9	Very low	173 Å²	173	127.5 Å²	127.5	80%	0.801	80%	0.795	S	S	*	*			trans	34.1	131.6	139.2	-61.3	-91.3	0	0	0	120.2
399	T	26.5	Very low	26.2	Very low	119 Å²	119	122.5 Å²	122.5	73%	0.73	78%	0.783	S	S	*	*			cis	-165	153	11.1	-12.6	0	0	0	0	111.5
400	Q	25.1	Very low	26.3	Very low	193 Å²	193	124 Å²	124	90%	0.902	78%	0.783	S	S	*	*			trans	40	80.9	149.2	-150.2	84.3	0.6	0	0	118.8
401	G	25	Very low	26.8	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	78%	0.779	S	S	*	*			trans	-124.8	131.4	167.6	0	0	0	0	0	111.4
402	A	24.5	Very low	27.5	Very low	100 Å²	100	124.3 Å²	124.3	83%	0.826	77%	0.77	S	S	*	*			trans	-68.5	146.7	-171.7	0	0	0	0	0	113.6	T404	A402-T404 PolarHBondContact O-N 2.93Å
403	V	24.1	Very low	28.5	Very low	135 Å²	135	127.5 Å²	127.5	82%	0.818	76%	0.764	S	S	*	*			trans	-61.6	123.6	177.2	175.1	0	0	0	0	110.6	M405	V403-M405 HydrophobicContact CG1-CG 4.5Å
404	T	25.5	Very low	29.6	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	75%	0.747	S	S	*	*			trans	-139.2	97.3	161.5	-63.7	0	0	0	0	108.5	A402	A402-T404 PolarHBondContact O-N 2.93Å
405	M	22.4	Very low	31.1	Very low	168 Å²	168	128.1 Å²	128.1	83%	0.828	73%	0.734	S	S	*	*			trans	-97	97.2	172.9	-78.3	-71.7	-71.9	0	0	109.1	V403	V403-M405 HydrophobicContact CG1-CG 4.5Å
406	T	28.9	Very low	33	Very low	120 Å²	120	128.3 Å²	128.3	74%	0.736	73%	0.727	S	S	*	*			trans	-134.5	120.9	165	33.7	0	0	0	0	109.7
407	T	30.3	Very low	34.9	Very low	125 Å²	125	120.9 Å²	120.9	77%	0.767	70%	0.695	S	S	*	*			trans	-73	124.5	-166.3	46.2	0	0	0	0	114.1	T409	T407-T409 PolarHBondContact O-N 2.88Å
408	T	25.7	Very low	37	Very low	131 Å²	131	122.1 Å²	122.1	80%	0.804	69%	0.694	S	S	*	*			trans	-75.6	113.8	166.7	-49	0	0	0	0	110.4
409	T	29.5	Very low	39.1	Very low	113 Å²	113	115.5 Å²	115.5	69%	0.693	67%	0.666	S	S	*	*			trans	-95.5	103.5	172.1	49.8	0	0	0	0	111	T407 H411	T407-T409 PolarHBondContact O-N 2.88Å; T409-H411 PolarHBondContact O-N 3.4Å
410	T	27.2	Very low	41.2	Very low	122 Å²	122	116.7 Å²	116.7	75%	0.748	67%	0.668	S	S	*	*			trans	-77.4	111.9	-178.9	-48.5	0	0	0	0	111.8
411	H	37.5	Very low	43.3	Very low	159 Å²	159	111 Å²	111	74%	0.736	66%	0.661	S	S	*	*			trans	-88.1	121.1	165.1	-76.4	-62.6	0	0	0	110.2	T409 F413	T409-H411 PolarHBondContact O-N 3.4Å; H411-F413 VanDerWaalsContact C-N 3.27Å; H411-F413 PolarHBondContact O-N 3.35Å
412	P	40.5	Very low	45.2	Very low	101 Å²	101	111.6 Å²	111.6	66%	0.656	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	5.8	-167.4	25.2	-32.7	0	0	0	117.2
413	F	45.1	Very low	47.3	Very low	141 Å²	141	109.8 Å²	109.8	62%	0.618	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	3	-170.8	-61.8	-66.3	0	0	0	116.7	H411 H429	H411-F413 VanDerWaalsContact C-N 3.27Å; H411-F413 PolarHBondContact O-N 3.35Å; F413-H429 PolarHBondContact O-CD2 3.21Å
414	L	51.9	Low	49.8	Very low	81 Å²	81	103.5 Å²	103.5	42%	0.424	59%	0.59	S	S	.	*			trans	-127.8	83.4	-173.4	-140.8	144.8	0	0	0	110.9	I416 I425 H433	L414-I416 HydrophobicContact CD2-CG1 4.34Å; L414-I425 HydrophobicContact CD2-CD1 3.64Å; L414-I425 HydrophobicContact CG-CD1 3.92Å; L414-H433 HydrophobicContact CD1-CB 4.11Å; L414-H433 VanDerWaalsContact CD1-CD2 3.4Å; L414-H433 WeakPolarHBondContact CD1-CD2 3.28Å
415	K	57	Low	52.3	Low	122 Å²	122	98.7 Å²	98.7	53%	0.53	56%	0.559	S	S	.	*			trans	-91.8	112.5	177.8	-166.2	-176.3	178.6	-155.2	0	109.6	E417	K415-E417 HydrophobicContact CD-CG 4.21Å; K415-E417 VanDerWaalsContact CD-OE1 3.26Å; K415-E417 WeakPolarHBondContact CD-OE1 3.2Å; K415-E417 WeakPolarHBondContact CE-OE1 3.28Å; K415-E417 HydrophobicContact CG-CG 4.1Å; K415-E417 IonicContact NZ-OE1 3.36Å; K415-E417 PolarHBondContact NZ-OE1 3.06Å
416	I	67.3	Low	55.2	Low	112 Å²	112	91.2 Å²	91.2	57%	0.574	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	129.8	166.8	-58.7	175.5	0	0	0	106.9	L414 A423	L414-I416 HydrophobicContact CD2-CG1 4.34Å; I416-A423 HydrophobicContact CG2-CB 4.1Å
417	E	66.7	Low	58	Low	45 Å²	45	85.5 Å²	85.5	21%	0.21	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	159.1	178.1	-60.9	-172.3	173.7	0	0	109.5	K415 A423 V424 Y475	K415-E417 HydrophobicContact CD-CG 4.21Å; K415-E417 VanDerWaalsContact CD-OE1 3.26Å; K415-E417 WeakPolarHBondContact CD-OE1 3.2Å; K415-E417 WeakPolarHBondContact CE-OE1 3.28Å; K415-E417 HydrophobicContact CG-CG 4.1Å; K415-E417 IonicContact NZ-OE1 3.36Å; K415-E417 PolarHBondContact NZ-OE1 3.06Å; E417-A423 WeakPolarHBondContact O-CA 3.43Å; E417-V424 HydrophobicContact CB-CG2 4.33Å; E417-V424 PolarHBondContact N-O 3.46Å; E417-V424 WeakPolarHBondContact O-CG2 3.39Å; E417-V424 PolarHBondContact O-N 3.43Å; E417-Y475 VanDerWaalsContact OE2-CE1 3.28Å; E417-Y475 WeakPolarHBondContact OE2-CE1 3.48Å
418	V	71.6	Confident	60.5	Low	112 Å²	112	81.8 Å²	81.8	68%	0.679	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.9	174	-179.2	0	0	0	0	108.3	K422	V418-K422 WeakPolarHBondContact CA-O 3.48Å
419	V	68.1	Low	63	Low	34 Å²	34	77.5 Å²	77.5	21%	0.206	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127	179.5	179	0	0	0	0	107.8	G421 K422 V424 I460 Y475	V419-G421 PolarHBondContact O-N 3.35Å; V419-K422 PolarHBondContact N-O 3.35Å; V419-K422 PolarHBondContact O-N 2.83Å; V419-V424 HydrophobicContact CB-CG2 3.82Å; V419-V424 HydrophobicContact CG2-CG2 3.59Å; V419-I460 HydrophobicContact CG1-CD1 4.28Å; V419-Y475 HydrophobicContact CG2-CD1 4.34Å; V419-Y475 HydrophobicContact CG2-CE1 4.43Å
420	N	70.2	Confident	65.3	Low	144 Å²	144	72.4 Å²	72.4	77%	0.77	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	39	-177.3	-58.6	-17.9	0	0	0	113.7	K422	N420-K422 PolarHBondContact O-N 2.97Å
421	G	70.3	Confident	67.7	Low	74 Å²	74	66.7 Å²	66.7	76%	0.763	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.7	-178.4	0	0	0	0	0	115.4	V419	V419-G421 PolarHBondContact O-N 3.35Å
422	K	64.5	Low	69.3	Low	85 Å²	85	62.1 Å²	62.1	37%	0.37	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.9	175.4	-62.8	-176.3	-178.4	-177.3	0	110.7	V418 V419 N420 V424 R457 T477	V418-K422 WeakPolarHBondContact CA-O 3.48Å; V419-K422 PolarHBondContact N-O 3.35Å; V419-K422 PolarHBondContact O-N 2.83Å; N420-K422 PolarHBondContact O-N 2.97Å; K422-V424 HydrophobicContact CB-CG1 4.38Å; K422-V424 PolarHBondContact O-N 3.35Å; K422-R457 PolarHBondContact NZ-O 2.88Å; K422-T477 HydrophobicContact CD-CG2 3.97Å
423	A	69.8	Low	70.4	Confident	63 Å²	63	62.1 Å²	62.1	52%	0.521	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.6	165.1	0	0	0	0	0	109.4	I416 E417	I416-A423 HydrophobicContact CG2-CB 4.1Å; E417-A423 WeakPolarHBondContact O-CA 3.43Å
424	V	74.8	Confident	71.4	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.3	-178	-66.7	0	0	0	0	110.8	E417 V419 K422 Y475 I476 T477	E417-V424 HydrophobicContact CB-CG2 4.33Å; E417-V424 PolarHBondContact N-O 3.46Å; E417-V424 WeakPolarHBondContact O-CG2 3.39Å; E417-V424 PolarHBondContact O-N 3.43Å; V419-V424 HydrophobicContact CB-CG2 3.82Å; V419-V424 HydrophobicContact CG2-CG2 3.59Å; K422-V424 HydrophobicContact CB-CG1 4.38Å; K422-V424 PolarHBondContact O-N 3.35Å; V424-Y475 HydrophobicContact CG2-CD1 3.83Å; V424-Y475 HydrophobicContact CG2-CG 4.3Å; V424-I476 WeakPolarHBondContact CA-O 3.46Å; V424-T477 HydrophobicContact CG1-CG2 4.01Å
425	I	78	Confident	72.5	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.087	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.8	169.5	-173.7	165.1	0	0	0	109.4	L414 S427 H429 V430 I476 L481	L414-I425 HydrophobicContact CD2-CD1 3.64Å; L414-I425 HydrophobicContact CG-CD1 3.92Å; I425-S427 PolarHBondContact O-N 3Å; I425-H429 HydrophobicContact CD1-CB 4.08Å; I425-H429 HydrophobicContact CG1-CB 3.95Å; I425-V430 HydrophobicContact CB-CG2 4.37Å; I425-V430 HydrophobicContact CD1-CG2 3.91Å; I425-V430 HydrophobicContact CG1-CG2 3.86Å; I425-V430 HydrophobicContact CG2-CG2 3.65Å; I425-I476 HydrophobicContact CG2-CB 4.25Å; I425-I476 PolarHBondContact N-O 3.09Å; I425-I476 PolarHBondContact O-N 3.24Å; I425-L481 HydrophobicContact CG2-CD2 4.12Å
426	F	84.5	Confident	73.2	Confident	12 Å²	12	62.7 Å²	62.7	5%	0.053	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.4	175	-167.3	-111.3	0	0	0	110.3	L428 H429 V430 Y464 Y474 Y475	F426-L428 HydrophobicContact CD1-CB 3.63Å; F426-L428 HydrophobicContact CE1-CB 3.85Å; F426-L428 PolarHBondContact O-N 3.29Å; F426-H429 WeakPolarHBondContact O-CB 3.35Å; F426-H429 PolarHBondContact O-N 3.37Å; F426-V430 PolarHBondContact O-N 3.37Å; F426-Y464 AromaticContact CE1-CD1 3.64Å; F426-Y464 HydrophobicContact CE1-CD1 3.64Å; F426-Y464 HydrophobicContact CE1-CE1 4.46Å; F426-Y464 AromaticContact CE1-CG 3.81Å; F426-Y464 HydrophobicContact CE1-CG 3.81Å; F426-Y464 AromaticContact CZ-CD1 3.86Å; F426-Y464 HydrophobicContact CZ-CD1 3.86Å; F426-Y464 HydrophobicContact CZ-CG 4.28Å; F426-Y474 WeakPolarHBondContact CD2-O 3.44Å; F426-Y475 HydrophobicContact CB-CD1 4.04Å; F426-Y475 HydrophobicContact CB-CE1 4.03Å; F426-Y475 AromaticContact CD2-CD1 3.76Å; F426-Y475 HydrophobicContact CD2-CD1 3.76Å; F426-Y475 HydrophobicContact CD2-CD2 4.02Å; F426-Y475 AromaticContact CD2-CE1 3.72Å; F426-Y475 HydrophobicContact CD2-CE1 3.72Å; F426-Y475 AromaticContact CD2-CE2 3.99Å; F426-Y475 HydrophobicContact CD2-CE2 3.99Å; F426-Y475 AromaticContact CD2-CG 3.91Å; F426-Y475 HydrophobicContact CD2-CG 3.91Å; F426-Y475 AromaticContact CD2-CZ 3.86Å; F426-Y475 HydrophobicContact CE2-CD2 4.34Å; F426-Y475 HydrophobicContact CE2-CE2 4.19Å; F426-Y475 HydrophobicContact CG-CD1 4.37Å; F426-Y475 HydrophobicContact CG-CE1 4.23Å
427	S	86.6	Confident	73.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-47.6	-30.5	-177.5	50.3	0	0	0	0	115.1	I425 V430 A431 H438 Y474	I425-S427 PolarHBondContact O-N 3Å; S427-V430 WeakPolarHBondContact O-CB 3.46Å; S427-V430 PolarHBondContact O-N 2.99Å; S427-A431 PolarHBondContact O-N 3.27Å; S427-H438 VanDerWaalsContact C-CD2 3.47Å; S427-H438 WeakPolarHBondContact CB-NE2 3.19Å; S427-H438 PolarHBondContact O-CD2 3.07Å; S427-H438 PolarHBondContact OG-NE2 2.89Å; S427-Y474 VanDerWaalsContact CB-O 3.27Å; S427-Y474 WeakPolarHBondContact CB-O 3.47Å; S427-Y474 PolarHBondContact N-O 3.17Å; S427-Y474 PolarHBondContact OG-N 2.76Å; S427-Y474 PolarHBondContact OG-O 3.35Å
428	L	84.3	Confident	74.9	Confident	47 Å²	47	62.5 Å²	62.5	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-45.8	173.1	-173.4	67	0	0	0	112.3	F426 V430 A431 C432 H438 Y464	F426-L428 HydrophobicContact CD1-CB 3.63Å; F426-L428 HydrophobicContact CE1-CB 3.85Å; F426-L428 PolarHBondContact O-N 3.29Å; L428-V430 VanDerWaalsContact C-N 3.26Å; L428-V430 PolarHBondContact O-N 3.36Å; L428-A431 WeakPolarHBondContact O-CB 3.33Å; L428-A431 PolarHBondContact O-N 3.02Å; L428-A431 VanDerWaalsContact O-N 3.09Å; L428-C432 PolarHBondContact O-N 2.72Å; L428-C432 PolarHBondContact O-SG 2.95Å; L428-H438 HydrophobicContact CD1-CB 4.02Å; L428-H438 PolarHBondContact N-CD2 3.23Å; L428-H438 PolarHBondContact N-NE2 3.37Å; L428-Y464 HydrophobicContact CD1-CE2 3.76Å; L428-Y464 HydrophobicContact CD2-CD2 3.58Å; L428-Y464 HydrophobicContact CD2-CE2 3.54Å; L428-Y464 HydrophobicContact CD2-CG 4.32Å; L428-Y464 HydrophobicContact CG-CE2 4.2Å
429	H	77.5	Confident	75.6	Confident	40 Å²	40	61.8 Å²	61.8	19%	0.185	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-35.3	176.4	-58.1	110	0	0	0	111.4	F413 I425 F426 H433	F413-H429 PolarHBondContact O-CD2 3.21Å; I425-H429 HydrophobicContact CD1-CB 4.08Å; I425-H429 HydrophobicContact CG1-CB 3.95Å; F426-H429 WeakPolarHBondContact O-CB 3.35Å; F426-H429 PolarHBondContact O-N 3.37Å; H429-H433 VanDerWaalsContact O-CB 3.24Å; H429-H433 WeakPolarHBondContact O-CB 3.15Å; H429-H433 PolarHBondContact O-N 3.37Å
430	V	77.2	Confident	76.4	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-43.5	172.8	-173.1	0	0	0	0	110.7	I425 F426 S427 L428 H433 F434 I441 I476 L481	I425-V430 HydrophobicContact CB-CG2 4.37Å; I425-V430 HydrophobicContact CD1-CG2 3.91Å; I425-V430 HydrophobicContact CG1-CG2 3.86Å; I425-V430 HydrophobicContact CG2-CG2 3.65Å; F426-V430 PolarHBondContact O-N 3.37Å; S427-V430 WeakPolarHBondContact O-CB 3.46Å; S427-V430 PolarHBondContact O-N 2.99Å; L428-V430 VanDerWaalsContact C-N 3.26Å; L428-V430 PolarHBondContact O-N 3.36Å; V430-H433 PolarHBondContact O-N 3.31Å; V430-F434 HydrophobicContact CG1-CD2 3.71Å; V430-F434 HydrophobicContact CG1-CE2 3.74Å; V430-F434 WeakPolarHBondContact O-CD2 3.49Å; V430-F434 PolarHBondContact O-N 3.25Å; V430-I441 HydrophobicContact CB-CD1 4.19Å; V430-I441 HydrophobicContact CG1-CD1 3.85Å; V430-I476 HydrophobicContact CG2-CD1 4.01Å; V430-L481 HydrophobicContact CG1-CD1 4.05Å; V430-L481 HydrophobicContact CG2-CD1 4.34Å
431	A	79.5	Confident	77	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-46.1	177	0	0	0	0	0	112.3	S427 L428 F434 K435 R436 H438 I441	S427-A431 PolarHBondContact O-N 3.27Å; L428-A431 WeakPolarHBondContact O-CB 3.33Å; L428-A431 PolarHBondContact O-N 3.02Å; L428-A431 VanDerWaalsContact O-N 3.09Å; A431-F434 CarbonylContact O-C 3.46Å; A431-F434 PolarHBondContact O-N 2.64Å; A431-K435 WeakPolarHBondContact O-CA 3.41Å; A431-K435 PolarHBondContact O-N 3.13Å; A431-R436 PolarHBondContact O-N 3.28Å; A431-H438 HydrophobicContact CB-CB 3.89Å; A431-I441 HydrophobicContact CB-CD1 3.82Å; A431-I441 HydrophobicContact CB-CG1 4.44Å
432	C	69.6	Low	77.9	Confident	62 Å²	62	55 Å²	55	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-47.1	174.6	-65.5	0	0	0	0	111.8	L428 F434 K435	L428-C432 PolarHBondContact O-N 2.72Å; L428-C432 PolarHBondContact O-SG 2.95Å; C432-F434 PolarHBondContact O-N 3.34Å; C432-K435 PolarHBondContact O-N 3.28Å; C432-K435 VanDerWaalsContact O-N 3.16Å
433	H	64.6	Low	79	Confident	102 Å²	102	53.8 Å²	53.8	47%	0.472	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-44.2	178.6	175.9	-99	0	0	0	112.4	L414 H429 V430 K435	L414-H433 HydrophobicContact CD1-CB 4.11Å; L414-H433 VanDerWaalsContact CD1-CD2 3.4Å; L414-H433 WeakPolarHBondContact CD1-CD2 3.28Å; H429-H433 VanDerWaalsContact O-CB 3.24Å; H429-H433 WeakPolarHBondContact O-CB 3.15Å; H429-H433 PolarHBondContact O-N 3.37Å; V430-H433 PolarHBondContact O-N 3.31Å; H433-K435 VanDerWaalsContact C-N 3.32Å
434	F	65.7	Low	79.5	Confident	57 Å²	57	54.4 Å²	54.4	25%	0.25	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.8	178.7	-67.4	-61.5	0	0	0	114.6	L227 V430 A431 C432 R436	L227-F434 HydrophobicContact CD1-CD1 4.44Å; L227-F434 HydrophobicContact CD1-CE1 3.94Å; L227-F434 HydrophobicContact CD1-CE2 4.21Å; L227-F434 HydrophobicContact CD1-CZ 3.81Å; L227-F434 HydrophobicContact CD2-CD1 3.52Å; L227-F434 HydrophobicContact CD2-CE1 3.64Å; L227-F434 HydrophobicContact CD2-CG 4.13Å; L227-F434 HydrophobicContact CD2-CZ 4.32Å; L227-F434 HydrophobicContact CG-CE1 4.45Å; V430-F434 HydrophobicContact CG1-CD2 3.71Å; V430-F434 HydrophobicContact CG1-CE2 3.74Å; V430-F434 WeakPolarHBondContact O-CD2 3.49Å; V430-F434 PolarHBondContact O-N 3.25Å; A431-F434 CarbonylContact O-C 3.46Å; A431-F434 PolarHBondContact O-N 2.64Å; C432-F434 PolarHBondContact O-N 3.34Å; F434-R436 VanDerWaalsContact C-N 3.35Å; F434-R436 HydrophobicContact CB-CG 4.43Å; F434-R436 PolarHBondContact O-N 3.01Å
435	K	74.8	Confident	80.1	Confident	199 Å²	199	54.2 Å²	54.2	87%	0.865	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	48.1	-176.6	-56.7	-176.5	-179.9	-176.7	0	112.9	A431 C432 H433	A431-K435 WeakPolarHBondContact O-CA 3.41Å; A431-K435 PolarHBondContact O-N 3.13Å; C432-K435 PolarHBondContact O-N 3.28Å; C432-K435 VanDerWaalsContact O-N 3.16Å; H433-K435 VanDerWaalsContact C-N 3.32Å
436	R	71.9	Confident	80.5	Confident	99 Å²	99	57 Å²	57	37%	0.374	27%	0.272	S	S	.	.			trans	-120.5	157.6	178.2	-64.8	-168	-179.7	-118.2	-11	111.8	F226 A431 F434 H438	F226-R436 VanDerWaalsContact CD1-NH1 3.34Å; F226-R436 VanDerWaalsContact CE1-NH1 3.32Å; A431-R436 PolarHBondContact O-N 3.28Å; F434-R436 VanDerWaalsContact C-N 3.35Å; F434-R436 HydrophobicContact CB-CG 4.43Å; F434-R436 PolarHBondContact O-N 3.01Å; R436-H438 PolarHBondContact O-N 3.41Å
437	M	81.6	Confident	80.4	Confident	135 Å²	135	65.3 Å²	65.3	67%	0.665	30%	0.304	S	S	*	.			trans	-53.7	130.1	164.1	-69.8	-75.9	-82.7	0	0	109.2	Q439 N440	M437-Q439 VanDerWaalsContact C-N 3.29Å; M437-Q439 PolarHBondContact O-N 2.89Å; M437-N440 HydrophobicContact CB-CB 4.41Å; M437-N440 WeakPolarHBondContact CB-OD1 3.31Å; M437-N440 PolarHBondContact O-N 3.34Å
438	H	87.4	Confident	80.1	Confident	19 Å²	19	66.1 Å²	66.1	9%	0.088	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-38.5	178.2	175.2	-115.8	0	0	0	111.9	S427 L428 A431 R436 N440 I441 V442 Y464 R472	S427-H438 VanDerWaalsContact C-CD2 3.47Å; S427-H438 WeakPolarHBondContact CB-NE2 3.19Å; S427-H438 PolarHBondContact O-CD2 3.07Å; S427-H438 PolarHBondContact OG-NE2 2.89Å; L428-H438 HydrophobicContact CD1-CB 4.02Å; L428-H438 PolarHBondContact N-CD2 3.23Å; L428-H438 PolarHBondContact N-NE2 3.37Å; A431-H438 HydrophobicContact CB-CB 3.89Å; R436-H438 PolarHBondContact O-N 3.41Å; H438-N440 VanDerWaalsContact C-N 3.28Å; H438-N440 PolarHBondContact O-N 3.13Å; H438-I441 WeakPolarHBondContact O-CA 3.06Å; H438-I441 WeakPolarHBondContact O-CB 3.28Å; H438-I441 PolarHBondContact O-N 3.46Å; H438-V442 WeakPolarHBondContact CE1-CG2 3.33Å; H438-V442 PolarHBondContact O-N 3.14Å; H438-Y464 AromaticContact CE1-CE1 3.39Å; H438-Y464 WeakPolarHBondContact CE1-CE1 3.15Å; H438-Y464 AromaticContact ND1-CE1 3.46Å; H438-Y464 WeakPolarHBondContact ND1-CE1 3.02Å; H438-Y464 AromaticContact ND1-CZ 3.68Å; H438-Y464 PolarHBondContact ND1-OH 2.87Å; H438-R472 PolarHBondContact CE1-O 3.48Å; H438-R472 VanDerWaalsContact CE1-O 3.31Å
439	Q	86.6	Confident	79.7	Confident	96 Å²	96	67.9 Å²	67.9	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-50.8	-45.4	173.4	-166.8	60.9	45	0	0	112.2	M437 I441 V442 D443	M437-Q439 VanDerWaalsContact C-N 3.29Å; M437-Q439 PolarHBondContact O-N 2.89Å; Q439-I441 PolarHBondContact O-N 3.26Å; Q439-I441 VanDerWaalsContact O-N 3.09Å; Q439-V442 CarbonylContact O-C 3.6Å; Q439-V442 WeakPolarHBondContact O-CA 3.39Å; Q439-V442 WeakPolarHBondContact O-CB 3.34Å; Q439-V442 PolarHBondContact O-N 3.27Å; Q439-D443 PolarHBondContact NE2-OD1 2.9Å; Q439-D443 WeakPolarHBondContact O-CB 3.5Å; Q439-D443 PolarHBondContact O-N 3.37Å
440	N	84.6	Confident	79.7	Confident	88 Å²	88	66.9 Å²	66.9	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-22.3	179.2	-60.6	24	0	0	0	113.5	M437 H438 K444	M437-N440 HydrophobicContact CB-CB 4.41Å; M437-N440 WeakPolarHBondContact CB-OD1 3.31Å; M437-N440 PolarHBondContact O-N 3.34Å; H438-N440 VanDerWaalsContact C-N 3.28Å; H438-N440 PolarHBondContact O-N 3.13Å; N440-K444 VanDerWaalsContact O-CB 3.24Å; N440-K444 WeakPolarHBondContact O-CB 3.39Å; N440-K444 PolarHBondContact O-N 3.37Å
441	I	84.1	Confident	80.1	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.092	32%	0.318	C	S	.	.	H	α-helix	trans	-84.2	-41.9	172.9	-59.9	-165.3	0	0	0	110.3	V430 A431 H438 Q439 K444 I445	V430-I441 HydrophobicContact CB-CD1 4.19Å; V430-I441 HydrophobicContact CG1-CD1 3.85Å; A431-I441 HydrophobicContact CB-CD1 3.82Å; A431-I441 HydrophobicContact CB-CG1 4.44Å; H438-I441 WeakPolarHBondContact O-CA 3.06Å; H438-I441 WeakPolarHBondContact O-CB 3.28Å; H438-I441 PolarHBondContact O-N 3.46Å; Q439-I441 PolarHBondContact O-N 3.26Å; Q439-I441 VanDerWaalsContact O-N 3.09Å; I441-K444 PolarHBondContact O-N 3.21Å; I441-I445 HydrophobicContact CG2-CD1 3.97Å; I441-I445 VanDerWaalsContact O-CG1 3.27Å; I441-I445 WeakPolarHBondContact O-CG1 3.42Å; I441-I445 PolarHBondContact O-N 3.27Å
442	V	88.9	Confident	80.4	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.018	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-52	175.1	174.4	0	0	0	0	110.7	H438 Q439 K444 I445 E446 Y474	H438-V442 WeakPolarHBondContact CE1-CG2 3.33Å; H438-V442 PolarHBondContact O-N 3.14Å; Q439-V442 CarbonylContact O-C 3.6Å; Q439-V442 WeakPolarHBondContact O-CA 3.39Å; Q439-V442 WeakPolarHBondContact O-CB 3.34Å; Q439-V442 PolarHBondContact O-N 3.27Å; V442-K444 VanDerWaalsContact C-N 3.32Å; V442-K444 PolarHBondContact O-N 2.9Å; V442-I445 WeakPolarHBondContact O-CB 3.43Å; V442-I445 PolarHBondContact O-N 3.15Å; V442-I445 VanDerWaalsContact O-N 3.14Å; V442-E446 VanDerWaalsContact CG1-OE1 3.22Å; V442-E446 WeakPolarHBondContact CG1-OE1 3.05Å; V442-E446 WeakPolarHBondContact O-CG 3.37Å; V442-E446 PolarHBondContact O-N 2.79Å; V442-Y474 HydrophobicContact CG1-CE2 4.2Å
443	D	86.4	Confident	81.2	Confident	61 Å²	61	81.6 Å²	81.6	33%	0.326	37%	0.37	S	S	.	.	H	α-helix	trans	-55.4	-47.9	173.7	-61.7	-24.1	0	0	0	110.6	Q439 I445 E446 Y447	Q439-D443 PolarHBondContact NE2-OD1 2.9Å; Q439-D443 WeakPolarHBondContact O-CB 3.5Å; Q439-D443 PolarHBondContact O-N 3.37Å; D443-I445 VanDerWaalsContact C-N 3.28Å; D443-I445 PolarHBondContact O-N 3Å; D443-E446 PolarHBondContact O-N 3.49Å; D443-E446 VanDerWaalsContact O-N 3.1Å; D443-Y447 HydrophobicContact CB-CD2 4.42Å; D443-Y447 WeakPolarHBondContact O-CD2 3.49Å; D443-Y447 PolarHBondContact O-N 2.98Å
444	K	80.4	Confident	82.2	Confident	75 Å²	75	76.8 Å²	76.8	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-39.4	-179.6	-171.6	-179.9	-175.4	-169.3	0	111.8	N440 I441 V442 L448 L484	N440-K444 VanDerWaalsContact O-CB 3.24Å; N440-K444 WeakPolarHBondContact O-CB 3.39Å; N440-K444 PolarHBondContact O-N 3.37Å; I441-K444 PolarHBondContact O-N 3.21Å; V442-K444 VanDerWaalsContact C-N 3.32Å; V442-K444 PolarHBondContact O-N 2.9Å; K444-L448 VanDerWaalsContact O-CG 3.29Å; K444-L448 WeakPolarHBondContact O-CG 3.49Å; K444-L448 PolarHBondContact O-N 2.97Å; K444-L484 HydrophobicContact CD-CD2 4.05Å; K444-L484 HydrophobicContact CG-CD2 4.11Å; K444-L484 PolarHBondContact NZ-O 3.24Å
445	I	87.9	Confident	83.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-45.7	174.6	-69.8	165.3	0	0	0	110.2	I441 V442 D443 Y447 L448 F455 F459 Y474 I476 L484	I441-I445 HydrophobicContact CG2-CD1 3.97Å; I441-I445 VanDerWaalsContact O-CG1 3.27Å; I441-I445 WeakPolarHBondContact O-CG1 3.42Å; I441-I445 PolarHBondContact O-N 3.27Å; V442-I445 WeakPolarHBondContact O-CB 3.43Å; V442-I445 PolarHBondContact O-N 3.15Å; V442-I445 VanDerWaalsContact O-N 3.14Å; D443-I445 VanDerWaalsContact C-N 3.28Å; D443-I445 PolarHBondContact O-N 3Å; I445-Y447 VanDerWaalsContact C-N 3.34Å; I445-Y447 PolarHBondContact O-N 3.24Å; I445-L448 VanDerWaalsContact O-CB 3.29Å; I445-L448 WeakPolarHBondContact O-CB 3.35Å; I445-L448 WeakPolarHBondContact O-CG 3.44Å; I445-L448 PolarHBondContact O-N 2.82Å; I445-L448 VanDerWaalsContact O-N 3.1Å; I445-F455 HydrophobicContact CG2-CE2 3.68Å; I445-F455 HydrophobicContact CG2-CZ 4.04Å; I445-F459 HydrophobicContact CD1-CD1 4.04Å; I445-F459 HydrophobicContact CD1-CE1 4.28Å; I445-F459 HydrophobicContact CG1-CD1 4.04Å; I445-F459 HydrophobicContact CG1-CE1 4Å; I445-F459 HydrophobicContact CG2-CB 4.11Å; I445-F459 HydrophobicContact CG2-CD1 3.84Å; I445-F459 HydrophobicContact CG2-CD2 4.4Å; I445-F459 HydrophobicContact CG2-CE1 4.4Å; I445-F459 HydrophobicContact CG2-CG 3.85Å; I445-Y474 HydrophobicContact CB-CD2 4.12Å; I445-Y474 HydrophobicContact CB-CE2 4.11Å; I445-Y474 HydrophobicContact CD1-CD2 3.67Å; I445-Y474 HydrophobicContact CD1-CE2 4.48Å; I445-Y474 HydrophobicContact CD1-CG 4.1Å; I445-Y474 HydrophobicContact CG1-CD2 4.5Å; I445-Y474 HydrophobicContact CG2-CD1 4.26Å; I445-Y474 HydrophobicContact CG2-CD2 3.73Å; I445-Y474 HydrophobicContact CG2-CE1 4.21Å; I445-Y474 HydrophobicContact CG2-CE2 3.68Å; I445-Y474 HydrophobicContact CG2-CG 4.04Å; I445-I476 HydrophobicContact CD1-CD1 3.96Å; I445-I476 HydrophobicContact CD1-CG1 4.23Å; I445-L484 HydrophobicContact CD1-CD1 4.13Å; I445-L484 HydrophobicContact CG1-CD1 3.94Å; I445-L484 HydrophobicContact CG1-CD2 3.83Å; I445-L484 HydrophobicContact CG1-CG 4.38Å
446	E	86.7	Confident	84	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-70.6	-27.9	-176.9	-71.9	178.1	-146.8	0	0	113.7	V442 D443 R472 Y474	V442-E446 VanDerWaalsContact CG1-OE1 3.22Å; V442-E446 WeakPolarHBondContact CG1-OE1 3.05Å; V442-E446 WeakPolarHBondContact O-CG 3.37Å; V442-E446 PolarHBondContact O-N 2.79Å; D443-E446 PolarHBondContact O-N 3.49Å; D443-E446 VanDerWaalsContact O-N 3.1Å; E446-R472 IonicContact OE1-CZ 2.79Å; E446-R472 IonicContact OE1-NE 3.75Å; E446-R472 PolarHBondContact OE1-NE 3.44Å; E446-R472 IonicContact OE1-NH1 3.51Å; E446-R472 PolarHBondContact OE1-NH1 2.89Å; E446-R472 IonicContact OE1-NH2 3.49Å; E446-R472 PolarHBondContact OE1-NH2 2.95Å; E446-R472 IonicContact OE2-CZ 3.66Å; E446-R472 IonicContact OE2-NH1 3.88Å; E446-R472 PolarHBondContact OE2-NH1 3.45Å; E446-R472 IonicContact OE2-NH2 3.65Å; E446-R472 PolarHBondContact OE2-NH2 3.23Å; E446-R472 VanDerWaalsContact OE2-NH2 3.1Å; E446-Y474 HydrophobicContact CG-CE2 4.17Å; E446-Y474 WeakPolarHBondContact CG-OH 3.31Å; E446-Y474 PolarHBondContact OE1-OH 3.24Å
447	Y	82.8	Confident	84.8	Confident	188 Å²	188	70 Å²	70	74%	0.737	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	12.4	170.6	-65.8	-72.1	0	0	0	113.6	D443 I445 N449	D443-Y447 HydrophobicContact CB-CD2 4.42Å; D443-Y447 WeakPolarHBondContact O-CD2 3.49Å; D443-Y447 PolarHBondContact O-N 2.98Å; I445-Y447 VanDerWaalsContact C-N 3.34Å; I445-Y447 PolarHBondContact O-N 3.24Å; Y447-N449 PolarHBondContact O-N 3.11Å; Y447-N449 PolarHBondContact O-ND2 3.32Å
448	L	79.9	Confident	85.1	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.084	30%	0.295	C	S	.	.			trans	-68.4	119.1	170.3	-73	177	0	0	0	110.3	K444 I445 C450 F459 L483 L484 M493	K444-L448 VanDerWaalsContact O-CG 3.29Å; K444-L448 WeakPolarHBondContact O-CG 3.49Å; K444-L448 PolarHBondContact O-N 2.97Å; I445-L448 VanDerWaalsContact O-CB 3.29Å; I445-L448 WeakPolarHBondContact O-CB 3.35Å; I445-L448 WeakPolarHBondContact O-CG 3.44Å; I445-L448 PolarHBondContact O-N 2.82Å; I445-L448 VanDerWaalsContact O-N 3.1Å; L448-C450 PolarHBondContact O-N 3.11Å; L448-F459 HydrophobicContact CD1-CD2 4.27Å; L448-F459 HydrophobicContact CD1-CE1 4.16Å; L448-F459 HydrophobicContact CD1-CE2 3.39Å; L448-F459 HydrophobicContact CD1-CZ 3.32Å; L448-L483 HydrophobicContact CD1-CD2 4.29Å; L448-L484 HydrophobicContact CD1-CD2 4.11Å; L448-L484 HydrophobicContact CD1-CG 4.49Å; L448-L484 HydrophobicContact CD2-CD2 4.29Å; L448-L484 HydrophobicContact CG-CD2 4.5Å; L448-M493 HydrophobicContact CB-SD 4.35Å; L448-M493 HydrophobicContact CD2-CE 3.49Å; L448-M493 VanDerWaalsContact CD2-CE 3.49Å; L448-M493 HydrophobicContact CD2-SD 4.14Å
449	N	75.7	Confident	85.2	Confident	84 Å²	84	62.8 Å²	62.8	45%	0.449	29%	0.291	S	S	.	.			trans	-82.6	52	174.6	-72.1	-84.1	0	0	0	112.1	Y447 L490 M493	Y447-N449 PolarHBondContact O-N 3.11Å; Y447-N449 PolarHBondContact O-ND2 3.32Å; N449-L490 HydrophobicContact CB-CD2 3.56Å; N449-L490 HydrophobicContact CB-CG 3.88Å; N449-L490 VanDerWaalsContact CG-CD2 3.46Å; N449-L490 WeakPolarHBondContact OD1-CD2 3.43Å; N449-M493 VanDerWaalsContact C-SD 3.55Å; N449-M493 HydrophobicContact CB-SD 4.21Å; N449-M493 PolarHBondContact N-SD 2.97Å
450	C	77.9	Confident	85.4	Confident	19 Å²	19	60 Å²	60	13%	0.128	28%	0.278	C	S	.	.			trans	-96.5	165.9	176.7	60.9	0	0	0	0	112.1	L448 F454 L483 M493 E497	L448-C450 PolarHBondContact O-N 3.11Å; C450-F454 HydrophobicContact CB-CD1 4.22Å; C450-L483 HydrophobicContact CB-CD2 3.83Å; C450-M493 HydrophobicContact CB-SD 4.49Å; C450-E497 WeakPolarHBondContact CA-OE1 3.41Å; C450-E497 WeakPolarHBondContact CB-OE1 3.43Å
451	S	84.4	Confident	85.7	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.098	29%	0.285	C	S	.	.			trans	-62.4	149.2	172.2	62	0	0	0	0	112	E453 F454 F455 E497	S451-E453 PolarHBondContact O-N 3.09Å; S451-F454 PolarHBondContact O-N 3.49Å; S451-F454 WeakPolarHBondContact OG-CB 3.35Å; S451-F454 PolarHBondContact OG-N 2.89Å; S451-F454 VanDerWaalsContact OG-N 3.14Å; S451-F455 WeakPolarHBondContact O-CB 3.44Å; S451-F455 PolarHBondContact O-N 3.34Å; S451-E497 WeakPolarHBondContact CB-OE2 3.22Å; S451-E497 PolarHBondContact N-OE1 2.8Å; S451-E497 PolarHBondContact N-OE2 3.27Å; S451-E497 PolarHBondContact OG-OE2 3.06Å
452	R	87.1	Confident	85.9	Confident	215 Å²	215	60.1 Å²	60.1	81%	0.811	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-33	176.7	-170.8	179.1	-176.7	-169.7	1	112.1	T456	R452-T456 WeakPolarHBondContact O-CB 3.43Å; R452-T456 WeakPolarHBondContact O-CG2 3.2Å; R452-T456 PolarHBondContact O-N 3.06Å; R452-T456 PolarHBondContact O-OG1 3.15Å
453	E	85.9	Confident	85.9	Confident	152 Å²	152	64.2 Å²	64.2	71%	0.71	31%	0.313	S	S	*	.	H	α-helix	trans	-68.5	-49.8	176.5	-67.6	170.9	-161.6	0	0	111	S451 F455 T456 R457	S451-E453 PolarHBondContact O-N 3.09Å; E453-F455 VanDerWaalsContact C-N 3.32Å; E453-F455 PolarHBondContact O-N 3.44Å; E453-T456 PolarHBondContact O-OG1 3.16Å; E453-R457 WeakPolarHBondContact O-CB 3.42Å; E453-R457 PolarHBondContact O-N 2.88Å
454	F	86.6	Confident	85.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-44.3	172.9	-171.7	-82.9	0	0	0	111.4	C450 S451 R457 N458 F459 D479 L483 E497 I500	C450-F454 HydrophobicContact CB-CD1 4.22Å; S451-F454 PolarHBondContact O-N 3.49Å; S451-F454 WeakPolarHBondContact OG-CB 3.35Å; S451-F454 PolarHBondContact OG-N 2.89Å; S451-F454 VanDerWaalsContact OG-N 3.14Å; F454-R457 PolarHBondContact O-N 2.83Å; F454-N458 HydrophobicContact CD1-CB 4.36Å; F454-N458 VanDerWaalsContact CD2-ND2 3.35Å; F454-N458 WeakPolarHBondContact CD2-ND2 3.16Å; F454-N458 HydrophobicContact CE1-CB 4.12Å; F454-N458 WeakPolarHBondContact CE1-ND2 3.39Å; F454-N458 WeakPolarHBondContact CE2-ND2 3.35Å; F454-N458 VanDerWaalsContact CZ-ND2 3.26Å; F454-N458 WeakPolarHBondContact CZ-ND2 3.46Å; F454-N458 VanDerWaalsContact O-CB 3.25Å; F454-N458 WeakPolarHBondContact O-CB 3.43Å; F454-N458 PolarHBondContact O-N 2.91Å; F454-N458 VanDerWaalsContact O-N 3.09Å; F454-N458 PolarHBondContact O-ND2 3.45Å; F454-F459 HydrophobicContact CD1-CE2 4.45Å; F454-F459 HydrophobicContact CE1-CE2 4.19Å; F454-D479 HydrophobicContact CE2-CB 4.05Å; F454-D479 HydrophobicContact CZ-CB 3.81Å; F454-L483 HydrophobicContact CD1-CD2 4.04Å; F454-L483 HydrophobicContact CE1-CB 4.11Å; F454-L483 HydrophobicContact CE1-CD2 3.53Å; F454-L483 HydrophobicContact CE1-CG 4.36Å; F454-L483 HydrophobicContact CZ-CB 4.17Å; F454-L483 HydrophobicContact CZ-CD2 4.18Å; F454-E497 HydrophobicContact CB-CG 4.14Å; F454-E497 HydrophobicContact CD2-CB 4.44Å; F454-E497 HydrophobicContact CD2-CG 3.75Å; F454-E497 HydrophobicContact CE2-CG 4.27Å; F454-E497 HydrophobicContact CG-CG 3.91Å; F454-I500 HydrophobicContact CE2-CD1 3.76Å; F454-I500 HydrophobicContact CE2-CG2 4.36Å; F454-I500 HydrophobicContact CZ-CD1 3.95Å
455	F	89.3	Confident	85.7	Confident	51 Å²	51	65.6 Å²	65.6	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-55.4	-179.6	-173.3	-87.1	0	0	0	111.6	I445 S451 E453 R457 N458 F459 Y474	I445-F455 HydrophobicContact CG2-CE2 3.68Å; I445-F455 HydrophobicContact CG2-CZ 4.04Å; S451-F455 WeakPolarHBondContact O-CB 3.44Å; S451-F455 PolarHBondContact O-N 3.34Å; E453-F455 VanDerWaalsContact C-N 3.32Å; E453-F455 PolarHBondContact O-N 3.44Å; F455-R457 VanDerWaalsContact C-N 3.29Å; F455-R457 PolarHBondContact O-N 3.1Å; F455-N458 PolarHBondContact O-N 3.3Å; F455-F459 HydrophobicContact CD2-CB 4.49Å; F455-F459 AromaticContact CD2-CD2 3.8Å; F455-F459 HydrophobicContact CD2-CD2 3.8Å; F455-F459 HydrophobicContact CD2-CG 4.48Å; F455-F459 HydrophobicContact CE1-CB 4.45Å; F455-F459 HydrophobicContact CE2-CB 4.28Å; F455-F459 HydrophobicContact CE2-CD2 4.14Å; F455-F459 HydrophobicContact CE2-CG 4.43Å; F455-F459 HydrophobicContact CG-CD2 4.29Å; F455-F459 HydrophobicContact CZ-CB 4.26Å; F455-F459 PolarHBondContact O-N 3.12Å; F455-Y474 HydrophobicContact CE1-CE1 4.3Å; F455-Y474 AromaticContact CZ-CE1 3.85Å; F455-Y474 HydrophobicContact CZ-CE1 3.85Å
456	T	89	Confident	85.1	Confident	90 Å²	90	68.9 Å²	68.9	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-66.7	-28.3	-178.7	50.9	0	0	0	0	113.2	R452 E453	R452-T456 WeakPolarHBondContact O-CB 3.43Å; R452-T456 WeakPolarHBondContact O-CG2 3.2Å; R452-T456 PolarHBondContact O-N 3.06Å; R452-T456 PolarHBondContact O-OG1 3.15Å; E453-T456 PolarHBondContact O-OG1 3.16Å
457	R	87.2	Confident	84.3	Confident	72 Å²	72	76.1 Å²	76.1	27%	0.272	36%	0.36	S	S	.	.	H	α-helix	trans	-72.5	-30	176.1	-170.3	177.8	87.2	-144.9	8.7	113.5	K422 E453 F454 F455 D479 E501	K422-R457 PolarHBondContact NZ-O 2.88Å; E453-R457 WeakPolarHBondContact O-CB 3.42Å; E453-R457 PolarHBondContact O-N 2.88Å; F454-R457 PolarHBondContact O-N 2.83Å; F455-R457 VanDerWaalsContact C-N 3.29Å; F455-R457 PolarHBondContact O-N 3.1Å; R457-D479 IonicContact CZ-OD2 2.61Å; R457-D479 IonicContact NE-OD2 2.8Å; R457-D479 IonicContact NH2-OD2 3.21Å; R457-D479 PolarHBondContact NH2-OD2 3.47Å; R457-E501 IonicContact NH1-OE1 2.7Å; R457-E501 PolarHBondContact NH1-OE1 3.07Å
458	N	87.6	Confident	83.9	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.011	37%	0.365	C	S	.	.	H	α-helix	trans	-124	-17.7	-162.8	-66.9	-33.9	0	0	0	116	F454 F455 I476 T477 D479	F454-N458 HydrophobicContact CD1-CB 4.36Å; F454-N458 VanDerWaalsContact CD2-ND2 3.35Å; F454-N458 WeakPolarHBondContact CD2-ND2 3.16Å; F454-N458 HydrophobicContact CE1-CB 4.12Å; F454-N458 WeakPolarHBondContact CE1-ND2 3.39Å; F454-N458 WeakPolarHBondContact CE2-ND2 3.35Å; F454-N458 VanDerWaalsContact CZ-ND2 3.26Å; F454-N458 WeakPolarHBondContact CZ-ND2 3.46Å; F454-N458 VanDerWaalsContact O-CB 3.25Å; F454-N458 WeakPolarHBondContact O-CB 3.43Å; F454-N458 PolarHBondContact O-N 2.91Å; F454-N458 VanDerWaalsContact O-N 3.09Å; F454-N458 PolarHBondContact O-ND2 3.45Å; F455-N458 PolarHBondContact O-N 3.3Å; N458-I476 WeakPolarHBondContact O-CA 3.4Å; N458-T477 VanDerWaalsContact CA-OG1 3.3Å; N458-T477 WeakPolarHBondContact CA-OG1 3.16Å; N458-T477 WeakPolarHBondContact CB-OG1 3.24Å; N458-T477 PolarHBondContact O-N 3.35Å; N458-T477 PolarHBondContact O-OG1 2.78Å; N458-T477 PolarHBondContact OD1-OG1 3.23Å; N458-D479 HydrophobicContact CB-CB 4.37Å; N458-D479 VanDerWaalsContact CG-CB 3.49Å; N458-D479 VanDerWaalsContact ND2-CB 3.26Å; N458-D479 WeakPolarHBondContact ND2-CB 3.16Å; N458-D479 PolarHBondContact ND2-OD2 3.31Å; N458-D479 PolarHBondContact OD1-OD2 3.47Å
459	F	91	Very high	83.8	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	88.3	173.7	-57	-73.6	0	0	0	109.3	I445 L448 F454 F455 P461 Y474 I476 G480 L484	I445-F459 HydrophobicContact CD1-CD1 4.04Å; I445-F459 HydrophobicContact CD1-CE1 4.28Å; I445-F459 HydrophobicContact CG1-CD1 4.04Å; I445-F459 HydrophobicContact CG1-CE1 4Å; I445-F459 HydrophobicContact CG2-CB 4.11Å; I445-F459 HydrophobicContact CG2-CD1 3.84Å; I445-F459 HydrophobicContact CG2-CD2 4.4Å; I445-F459 HydrophobicContact CG2-CE1 4.4Å; I445-F459 HydrophobicContact CG2-CG 3.85Å; L448-F459 HydrophobicContact CD1-CD2 4.27Å; L448-F459 HydrophobicContact CD1-CE1 4.16Å; L448-F459 HydrophobicContact CD1-CE2 3.39Å; L448-F459 HydrophobicContact CD1-CZ 3.32Å; F454-F459 HydrophobicContact CD1-CE2 4.45Å; F454-F459 HydrophobicContact CE1-CE2 4.19Å; F455-F459 HydrophobicContact CD2-CB 4.49Å; F455-F459 AromaticContact CD2-CD2 3.8Å; F455-F459 HydrophobicContact CD2-CD2 3.8Å; F455-F459 HydrophobicContact CD2-CG 4.48Å; F455-F459 HydrophobicContact CE1-CB 4.45Å; F455-F459 HydrophobicContact CE2-CB 4.28Å; F455-F459 HydrophobicContact CE2-CD2 4.14Å; F455-F459 HydrophobicContact CE2-CG 4.43Å; F455-F459 HydrophobicContact CG-CD2 4.29Å; F455-F459 HydrophobicContact CZ-CB 4.26Å; F455-F459 PolarHBondContact O-N 3.12Å; F459-P461 WeakPolarHBondContact O-CD 3.2Å; F459-Y474 HydrophobicContact CB-CD1 3.87Å; F459-Y474 HydrophobicContact CB-CE1 4.49Å; F459-Y474 HydrophobicContact CB-CG 4.36Å; F459-I476 HydrophobicContact CD1-CG1 4.11Å; F459-I476 HydrophobicContact CD1-CG2 4.14Å; F459-I476 HydrophobicContact CE1-CG1 4.37Å; F459-I476 HydrophobicContact CE1-CG2 3.8Å; F459-G480 VanDerWaalsContact CZ-CA 3.45Å; F459-G480 WeakPolarHBondContact CZ-O 3.39Å; F459-L484 HydrophobicContact CE1-CD1 3.76Å; F459-L484 HydrophobicContact CE1-CG 4.01Å; F459-L484 HydrophobicContact CZ-CD1 4.41Å; F459-L484 HydrophobicContact CZ-CG 4.16Å
460	I	90.2	Very high	84.2	Confident	37 Å²	37	78.6 Å²	78.6	19%	0.19	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122	179.4	-56.5	167	0	0	0	107.6	V419 Y474 Y475	V419-I460 HydrophobicContact CG1-CD1 4.28Å; I460-Y474 CarbonylContact O-C 3.53Å; I460-Y474 VanDerWaalsContact O-CA 3.31Å; I460-Y474 WeakPolarHBondContact O-CA 3.48Å; I460-Y475 PolarHBondContact N-O 2.83Å; I460-Y475 PolarHBondContact O-N 2.94Å
461	P	91.4	Very high	84.5	Confident	95 Å²	95	80.8 Å²	80.8	62%	0.617	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	141.9	177.6	-24	34.3	0	0	0	112	F459 Y474	F459-P461 WeakPolarHBondContact O-CD 3.2Å; P461-Y474 HydrophobicContact CG-CE1 4.34Å
462	G	88.1	Confident	84.8	Confident	15 Å²	15	86.6 Å²	86.6	16%	0.155	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	169.5	172.6	0	0	0	0	0	111.1	G473	G462-G473 PolarHBondContact N-O 2.97Å; G462-G473 CarbonylContact O-C 3.55Å; G462-G473 PolarHBondContact O-N 3.43Å
463	T	89	Confident	85	Confident	88 Å²	88	76.3 Å²	76.3	54%	0.54	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.4	176	49.5	0	0	0	0	109.7	L471	T463-L471 WeakPolarHBondContact CA-O 3.29Å
464	Y	82.4	Confident	85.2	Confident	32 Å²	32	69.2 Å²	69.2	13%	0.125	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.8	171.9	76.3	-72.1	0	0	0	109.2	F426 L428 H438 I466 L471	F426-Y464 AromaticContact CE1-CD1 3.64Å; F426-Y464 HydrophobicContact CE1-CD1 3.64Å; F426-Y464 HydrophobicContact CE1-CE1 4.46Å; F426-Y464 AromaticContact CE1-CG 3.81Å; F426-Y464 HydrophobicContact CE1-CG 3.81Å; F426-Y464 AromaticContact CZ-CD1 3.86Å; F426-Y464 HydrophobicContact CZ-CD1 3.86Å; F426-Y464 HydrophobicContact CZ-CG 4.28Å; L428-Y464 HydrophobicContact CD1-CE2 3.76Å; L428-Y464 HydrophobicContact CD2-CD2 3.58Å; L428-Y464 HydrophobicContact CD2-CE2 3.54Å; L428-Y464 HydrophobicContact CD2-CG 4.32Å; L428-Y464 HydrophobicContact CG-CE2 4.2Å; H438-Y464 AromaticContact CE1-CE1 3.39Å; H438-Y464 WeakPolarHBondContact CE1-CE1 3.15Å; H438-Y464 AromaticContact ND1-CE1 3.46Å; H438-Y464 WeakPolarHBondContact ND1-CE1 3.02Å; H438-Y464 AromaticContact ND1-CZ 3.68Å; H438-Y464 PolarHBondContact ND1-OH 2.87Å; Y464-I466 HydrophobicContact CD2-CG1 3.95Å; Y464-I466 HydrophobicContact CE2-CD1 3.54Å; Y464-I466 HydrophobicContact CE2-CG1 3.4Å; Y464-L471 HydrophobicContact CD1-CB 3.98Å; Y464-L471 VanDerWaalsContact CD1-O 3.3Å; Y464-L471 WeakPolarHBondContact CD1-O 3.38Å; Y464-L471 HydrophobicContact CE1-CB 3.42Å; Y464-L471 VanDerWaalsContact CE1-CB 3.42Å; Y464-L471 HydrophobicContact CE1-CD1 4.38Å; Y464-L471 HydrophobicContact CE2-CD1 4.46Å; Y464-L471 PolarHBondContact N-O 2.94Å; Y464-L471 PolarHBondContact O-N 2.9Å; Y464-L471 WeakPolarHBondContact OH-CD1 3.39Å
465	H	80.1	Confident	85.3	Confident	134 Å²	134	71.9 Å²	71.9	62%	0.62	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.4	-174.6	-64.4	-90.2	0	0	0	110.5	D469 S470	H465-D469 VanDerWaalsContact CA-O 3.3Å; H465-D469 WeakPolarHBondContact CA-O 3.05Å; H465-S470 PolarHBondContact CE1-OG 3.07Å; H465-S470 VanDerWaalsContact CE1-OG 3.26Å
466	I	75.6	Confident	85.1	Confident	68 Å²	68	69.5 Å²	69.5	35%	0.349	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.2	167.3	-45.8	-174.9	0	0	0	108.5	Y464 D468 D469 L471	Y464-I466 HydrophobicContact CD2-CG1 3.95Å; Y464-I466 HydrophobicContact CE2-CD1 3.54Å; Y464-I466 HydrophobicContact CE2-CG1 3.4Å; I466-D468 VanDerWaalsContact C-N 3.29Å; I466-D468 PolarHBondContact O-N 3.46Å; I466-D469 PolarHBondContact N-O 2.98Å; I466-D469 PolarHBondContact O-N 3.31Å; I466-L471 HydrophobicContact CD1-CD1 3.56Å; I466-L471 HydrophobicContact CG1-CD1 3.95Å
467	Y	69.2	Low	84.9	Confident	227 Å²	227	65.6 Å²	65.6	89%	0.89	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-79	-175.3	-58.4	-64.7	0	0	0	112.9
468	D	74	Confident	84.3	Confident	158 Å²	158	65.8 Å²	65.8	85%	0.845	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	-11.4	170.3	-72.2	-66	0	0	0	113.2	I466	I466-D468 VanDerWaalsContact C-N 3.29Å; I466-D468 PolarHBondContact O-N 3.46Å
469	D	78.2	Confident	83.9	Confident	116 Å²	116	66.6 Å²	66.6	62%	0.62	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.1	-176.9	-73.1	-38.5	0	0	0	111.8	H465 I466	H465-D469 VanDerWaalsContact CA-O 3.3Å; H465-D469 WeakPolarHBondContact CA-O 3.05Å; I466-D469 PolarHBondContact N-O 2.98Å; I466-D469 PolarHBondContact O-N 3.31Å
470	S	83.9	Confident	83.4	Confident	66 Å²	66	66.6 Å²	66.6	46%	0.462	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.5	168.9	-161.3	0	0	0	0	109.9	H465	H465-S470 PolarHBondContact CE1-OG 3.07Å; H465-S470 VanDerWaalsContact CE1-OG 3.26Å
471	L	84.4	Confident	82.7	Confident	65 Å²	65	65.8 Å²	65.8	34%	0.34	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.6	179.2	-66.1	178.2	0	0	0	111	T463 Y464 I466	T463-L471 WeakPolarHBondContact CA-O 3.29Å; Y464-L471 HydrophobicContact CD1-CB 3.98Å; Y464-L471 VanDerWaalsContact CD1-O 3.3Å; Y464-L471 WeakPolarHBondContact CD1-O 3.38Å; Y464-L471 HydrophobicContact CE1-CB 3.42Å; Y464-L471 VanDerWaalsContact CE1-CB 3.42Å; Y464-L471 HydrophobicContact CE1-CD1 4.38Å; Y464-L471 HydrophobicContact CE2-CD1 4.46Å; Y464-L471 PolarHBondContact N-O 2.94Å; Y464-L471 PolarHBondContact O-N 2.9Å; Y464-L471 WeakPolarHBondContact OH-CD1 3.39Å; I466-L471 HydrophobicContact CD1-CD1 3.56Å; I466-L471 HydrophobicContact CG1-CD1 3.95Å
472	R	90.8	Very high	81.7	Confident	135 Å²	135	61.6 Å²	61.6	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.7	178.5	-178	178.7	176.8	-160.3	-4.4	110.6	H438 E446 Y474	H438-R472 PolarHBondContact CE1-O 3.48Å; H438-R472 VanDerWaalsContact CE1-O 3.31Å; E446-R472 IonicContact OE1-CZ 2.79Å; E446-R472 IonicContact OE1-NE 3.75Å; E446-R472 PolarHBondContact OE1-NE 3.44Å; E446-R472 IonicContact OE1-NH1 3.51Å; E446-R472 PolarHBondContact OE1-NH1 2.89Å; E446-R472 IonicContact OE1-NH2 3.49Å; E446-R472 PolarHBondContact OE1-NH2 2.95Å; E446-R472 IonicContact OE2-CZ 3.66Å; E446-R472 IonicContact OE2-NH1 3.88Å; E446-R472 PolarHBondContact OE2-NH1 3.45Å; E446-R472 IonicContact OE2-NH2 3.65Å; E446-R472 PolarHBondContact OE2-NH2 3.23Å; E446-R472 VanDerWaalsContact OE2-NH2 3.1Å; R472-Y474 PolarHBondContact NH2-OH 2.83Å
473	G	90.8	Very high	81	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	-172.7	170.6	0	0	0	0	0	111.7	G462	G462-G473 PolarHBondContact N-O 2.97Å; G462-G473 CarbonylContact O-C 3.55Å; G462-G473 PolarHBondContact O-N 3.43Å
474	Y	91.2	Very high	80.3	Confident	3 Å²	3	57.4 Å²	57.4	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.6	174.6	-62.1	-89.7	0	0	0	111	F426 S427 V442 I445 E446 F455 F459 I460 P461 R472	F426-Y474 WeakPolarHBondContact CD2-O 3.44Å; S427-Y474 VanDerWaalsContact CB-O 3.27Å; S427-Y474 WeakPolarHBondContact CB-O 3.47Å; S427-Y474 PolarHBondContact N-O 3.17Å; S427-Y474 PolarHBondContact OG-N 2.76Å; S427-Y474 PolarHBondContact OG-O 3.35Å; V442-Y474 HydrophobicContact CG1-CE2 4.2Å; I445-Y474 HydrophobicContact CB-CD2 4.12Å; I445-Y474 HydrophobicContact CB-CE2 4.11Å; I445-Y474 HydrophobicContact CD1-CD2 3.67Å; I445-Y474 HydrophobicContact CD1-CE2 4.48Å; I445-Y474 HydrophobicContact CD1-CG 4.1Å; I445-Y474 HydrophobicContact CG1-CD2 4.5Å; I445-Y474 HydrophobicContact CG2-CD1 4.26Å; I445-Y474 HydrophobicContact CG2-CD2 3.73Å; I445-Y474 HydrophobicContact CG2-CE1 4.21Å; I445-Y474 HydrophobicContact CG2-CE2 3.68Å; I445-Y474 HydrophobicContact CG2-CG 4.04Å; E446-Y474 HydrophobicContact CG-CE2 4.17Å; E446-Y474 WeakPolarHBondContact CG-OH 3.31Å; E446-Y474 PolarHBondContact OE1-OH 3.24Å; F455-Y474 HydrophobicContact CE1-CE1 4.3Å; F455-Y474 AromaticContact CZ-CE1 3.85Å; F455-Y474 HydrophobicContact CZ-CE1 3.85Å; F459-Y474 HydrophobicContact CB-CD1 3.87Å; F459-Y474 HydrophobicContact CB-CE1 4.49Å; F459-Y474 HydrophobicContact CB-CG 4.36Å; I460-Y474 CarbonylContact O-C 3.53Å; I460-Y474 VanDerWaalsContact O-CA 3.31Å; I460-Y474 WeakPolarHBondContact O-CA 3.48Å; P461-Y474 HydrophobicContact CG-CE1 4.34Å; R472-Y474 PolarHBondContact NH2-OH 2.83Å
475	Y	87.8	Confident	79.4	Confident	55 Å²	55	57.1 Å²	57.1	22%	0.216	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.8	155.2	-65.2	-84	0	0	0	108.5	E417 V419 V424 F426 I460	E417-Y475 VanDerWaalsContact OE2-CE1 3.28Å; E417-Y475 WeakPolarHBondContact OE2-CE1 3.48Å; V419-Y475 HydrophobicContact CG2-CD1 4.34Å; V419-Y475 HydrophobicContact CG2-CE1 4.43Å; V424-Y475 HydrophobicContact CG2-CD1 3.83Å; V424-Y475 HydrophobicContact CG2-CG 4.3Å; F426-Y475 HydrophobicContact CB-CD1 4.04Å; F426-Y475 HydrophobicContact CB-CE1 4.03Å; F426-Y475 AromaticContact CD2-CD1 3.76Å; F426-Y475 HydrophobicContact CD2-CD1 3.76Å; F426-Y475 HydrophobicContact CD2-CD2 4.02Å; F426-Y475 AromaticContact CD2-CE1 3.72Å; F426-Y475 HydrophobicContact CD2-CE1 3.72Å; F426-Y475 AromaticContact CD2-CE2 3.99Å; F426-Y475 HydrophobicContact CD2-CE2 3.99Å; F426-Y475 AromaticContact CD2-CG 3.91Å; F426-Y475 HydrophobicContact CD2-CG 3.91Å; F426-Y475 AromaticContact CD2-CZ 3.86Å; F426-Y475 HydrophobicContact CE2-CD2 4.34Å; F426-Y475 HydrophobicContact CE2-CE2 4.19Å; F426-Y475 HydrophobicContact CG-CD1 4.37Å; F426-Y475 HydrophobicContact CG-CE1 4.23Å; I460-Y475 PolarHBondContact N-O 2.83Å; I460-Y475 PolarHBondContact O-N 2.94Å
476	I	85.1	Confident	78.3	Confident	1 Å²	1	52 Å²	52	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	-170.7	-54.1	165.1	0	0	0	108.3	V424 I425 V430 I445 N458 F459 L481 L484	V424-I476 WeakPolarHBondContact CA-O 3.46Å; I425-I476 HydrophobicContact CG2-CB 4.25Å; I425-I476 PolarHBondContact N-O 3.09Å; I425-I476 PolarHBondContact O-N 3.24Å; V430-I476 HydrophobicContact CG2-CD1 4.01Å; I445-I476 HydrophobicContact CD1-CD1 3.96Å; I445-I476 HydrophobicContact CD1-CG1 4.23Å; N458-I476 WeakPolarHBondContact O-CA 3.4Å; F459-I476 HydrophobicContact CD1-CG1 4.11Å; F459-I476 HydrophobicContact CD1-CG2 4.14Å; F459-I476 HydrophobicContact CE1-CG1 4.37Å; F459-I476 HydrophobicContact CE1-CG2 3.8Å; I476-L481 HydrophobicContact CG2-CB 3.96Å; I476-L484 HydrophobicContact CD1-CD1 3.91Å; I476-L484 HydrophobicContact CG2-CD1 4.23Å
477	T	85.5	Confident	77.2	Confident	8 Å²	8	49.1 Å²	49.1	5%	0.049	24%	0.238	C	C	.	.			trans	-76.9	172	172.3	63.8	0	0	0	0	111.6	K422 V424 N458 D479 G480 L481	K422-T477 HydrophobicContact CD-CG2 3.97Å; V424-T477 HydrophobicContact CG1-CG2 4.01Å; N458-T477 VanDerWaalsContact CA-OG1 3.3Å; N458-T477 WeakPolarHBondContact CA-OG1 3.16Å; N458-T477 WeakPolarHBondContact CB-OG1 3.24Å; N458-T477 PolarHBondContact O-N 3.35Å; N458-T477 PolarHBondContact O-OG1 2.78Å; N458-T477 PolarHBondContact OD1-OG1 3.23Å; T477-D479 PolarHBondContact O-N 3.37Å; T477-G480 PolarHBondContact O-N 3.42Å; T477-G480 PolarHBondContact OG1-N 3.38Å; T477-L481 WeakPolarHBondContact O-CB 3.26Å; T477-L481 PolarHBondContact O-N 3.36Å
478	L	73.5	Confident	76.4	Confident	77 Å²	77	41.1 Å²	41.1	40%	0.403	21%	0.211	S	C	.	.	H	α-helix	trans	-55.8	-49.3	174.5	-172.9	61.9	0	0	0	112	L306 G480 L481 M482	L306-L478 HydrophobicContact CD1-CD1 3.89Å; L478-G480 VanDerWaalsContact C-N 3.34Å; L478-G480 PolarHBondContact O-N 3.48Å; L478-L481 PolarHBondContact O-N 3.39Å; L478-M482 HydrophobicContact CG-SD 4.06Å; L478-M482 VanDerWaalsContact O-CG 3.27Å; L478-M482 WeakPolarHBondContact O-CG 3.26Å; L478-M482 PolarHBondContact O-N 2.84Å
479	D	79.3	Confident	75.2	Confident	19 Å²	19	37 Å²	37	10%	0.102	20%	0.195	C	C	.	.	H	α-helix	trans	-50.3	-49.6	172.7	-65.4	14.3	0	0	0	112.7	F454 R457 N458 T477 L481 M482 L483 I500 H504	F454-D479 HydrophobicContact CE2-CB 4.05Å; F454-D479 HydrophobicContact CZ-CB 3.81Å; R457-D479 IonicContact CZ-OD2 2.61Å; R457-D479 IonicContact NE-OD2 2.8Å; R457-D479 IonicContact NH2-OD2 3.21Å; R457-D479 PolarHBondContact NH2-OD2 3.47Å; N458-D479 HydrophobicContact CB-CB 4.37Å; N458-D479 VanDerWaalsContact CG-CB 3.49Å; N458-D479 VanDerWaalsContact ND2-CB 3.26Å; N458-D479 WeakPolarHBondContact ND2-CB 3.16Å; N458-D479 PolarHBondContact ND2-OD2 3.31Å; N458-D479 PolarHBondContact OD1-OD2 3.47Å; T477-D479 PolarHBondContact O-N 3.37Å; D479-L481 VanDerWaalsContact C-N 3.32Å; D479-L481 PolarHBondContact O-N 3.21Å; D479-M482 WeakPolarHBondContact O-CB 3.2Å; D479-M482 PolarHBondContact O-N 3.34Å; D479-L483 PolarHBondContact O-N 3Å; D479-I500 HydrophobicContact CB-CG2 4.45Å; D479-H504 IonicContact OD1-CE1 3.94Å; D479-H504 IonicContact OD1-NE2 4Å; D479-H504 IonicContact OD2-CE1 2.64Å; D479-H504 PolarHBondContact OD2-CE1 3.06Å
480	G	81.8	Confident	73.6	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-38.3	-177.9	0	0	0	0	0	111.8	F459 T477 L478 L483 L484	F459-G480 VanDerWaalsContact CZ-CA 3.45Å; F459-G480 WeakPolarHBondContact CZ-O 3.39Å; T477-G480 PolarHBondContact O-N 3.42Å; T477-G480 PolarHBondContact OG1-N 3.38Å; L478-G480 VanDerWaalsContact C-N 3.34Å; L478-G480 PolarHBondContact O-N 3.48Å; G480-L483 PolarHBondContact O-N 3.11Å; G480-L484 WeakPolarHBondContact O-CB 3.17Å; G480-L484 WeakPolarHBondContact O-CG 3.3Å; G480-L484 PolarHBondContact O-N 3.46Å
481	L	75.6	Confident	71.9	Confident	19 Å²	19	42.8 Å²	42.8	10%	0.099	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-37	176.8	-168.8	59.4	0	0	0	111.9	L306 I425 V430 I476 T477 L478 D479 L484 Q485	L306-L481 HydrophobicContact CD1-CD2 3.76Å; L306-L481 HydrophobicContact CD1-CG 4.14Å; L306-L481 HydrophobicContact CD2-CD2 3.67Å; L306-L481 HydrophobicContact CD2-CG 4Å; L306-L481 HydrophobicContact CG-CD2 4.36Å; I425-L481 HydrophobicContact CG2-CD2 4.12Å; V430-L481 HydrophobicContact CG1-CD1 4.05Å; V430-L481 HydrophobicContact CG2-CD1 4.34Å; I476-L481 HydrophobicContact CG2-CB 3.96Å; T477-L481 WeakPolarHBondContact O-CB 3.26Å; T477-L481 PolarHBondContact O-N 3.36Å; L478-L481 PolarHBondContact O-N 3.39Å; D479-L481 VanDerWaalsContact C-N 3.32Å; D479-L481 PolarHBondContact O-N 3.21Å; L481-L484 PolarHBondContact O-N 3.18Å; L481-Q485 WeakPolarHBondContact O-CB 3.25Å; L481-Q485 PolarHBondContact O-N 3Å
482	M	68.8	Low	70.6	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.034	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-47.7	171.5	-70	158.2	47.2	0	0	111.5	Y309 L313 L478 D479 L484 Q485 L486 I500	Y309-M482 HydrophobicContact CD1-CG 4.46Å; Y309-M482 HydrophobicContact CD1-SD 4.25Å; Y309-M482 HydrophobicContact CE1-CE 3.72Å; Y309-M482 HydrophobicContact CE1-CG 4.21Å; Y309-M482 HydrophobicContact CE1-SD 3.53Å; Y309-M482 VanDerWaalsContact CE1-SD 3.53Å; L313-M482 HydrophobicContact CD1-CE 3.81Å; L478-M482 HydrophobicContact CG-SD 4.06Å; L478-M482 VanDerWaalsContact O-CG 3.27Å; L478-M482 WeakPolarHBondContact O-CG 3.26Å; L478-M482 PolarHBondContact O-N 2.84Å; D479-M482 WeakPolarHBondContact O-CB 3.2Å; D479-M482 PolarHBondContact O-N 3.34Å; M482-L484 PolarHBondContact O-N 2.95Å; M482-Q485 WeakPolarHBondContact O-CB 3.43Å; M482-Q485 PolarHBondContact O-N 3.24Å; M482-L486 WeakPolarHBondContact O-CG 3.5Å; M482-L486 PolarHBondContact O-N 3.42Å; M482-I500 HydrophobicContact CE-CD1 3.87Å; M482-I500 HydrophobicContact CE-CG1 3.7Å
483	L	74.4	Confident	69.3	Low	3 Å²	3	35.7 Å²	35.7	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-42.6	178.3	-165.7	74	0	0	0	111.5	L448 C450 F454 D479 G480 Q485 L486 G487 M493	L448-L483 HydrophobicContact CD1-CD2 4.29Å; C450-L483 HydrophobicContact CB-CD2 3.83Å; F454-L483 HydrophobicContact CD1-CD2 4.04Å; F454-L483 HydrophobicContact CE1-CB 4.11Å; F454-L483 HydrophobicContact CE1-CD2 3.53Å; F454-L483 HydrophobicContact CE1-CG 4.36Å; F454-L483 HydrophobicContact CZ-CB 4.17Å; F454-L483 HydrophobicContact CZ-CD2 4.18Å; D479-L483 PolarHBondContact O-N 3Å; G480-L483 PolarHBondContact O-N 3.11Å; L483-Q485 PolarHBondContact O-N 3.19Å; L483-L486 PolarHBondContact O-N 3.44Å; L483-G487 PolarHBondContact O-N 3.02Å; L483-G487 VanDerWaalsContact O-N 3.08Å; L483-M493 HydrophobicContact CD1-CB 4.46Å; L483-M493 HydrophobicContact CD1-CG 4.34Å; L483-M493 HydrophobicContact CD2-SD 4.45Å
484	L	74	Confident	68.1	Low	12 Å²	12	42.7 Å²	42.7	6%	0.063	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-39	175.3	-80.3	174.4	0	0	0	113.3	K444 I445 L448 F459 I476 G480 L481 M482	K444-L484 HydrophobicContact CD-CD2 4.05Å; K444-L484 HydrophobicContact CG-CD2 4.11Å; K444-L484 PolarHBondContact NZ-O 3.24Å; I445-L484 HydrophobicContact CD1-CD1 4.13Å; I445-L484 HydrophobicContact CG1-CD1 3.94Å; I445-L484 HydrophobicContact CG1-CD2 3.83Å; I445-L484 HydrophobicContact CG1-CG 4.38Å; L448-L484 HydrophobicContact CD1-CD2 4.11Å; L448-L484 HydrophobicContact CD1-CG 4.49Å; L448-L484 HydrophobicContact CD2-CD2 4.29Å; L448-L484 HydrophobicContact CG-CD2 4.5Å; F459-L484 HydrophobicContact CE1-CD1 3.76Å; F459-L484 HydrophobicContact CE1-CG 4.01Å; F459-L484 HydrophobicContact CZ-CD1 4.41Å; F459-L484 HydrophobicContact CZ-CG 4.16Å; I476-L484 HydrophobicContact CD1-CD1 3.91Å; I476-L484 HydrophobicContact CG2-CD1 4.23Å; G480-L484 WeakPolarHBondContact O-CB 3.17Å; G480-L484 WeakPolarHBondContact O-CG 3.3Å; G480-L484 PolarHBondContact O-N 3.46Å; L481-L484 PolarHBondContact O-N 3.18Å; M482-L484 PolarHBondContact O-N 2.95Å
485	Q	63	Low	66.6	Low	26 Å²	26	48 Å²	48	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-47.4	177	-179.3	87	20.5	0	0	111.3	L227 L310 L481 M482 L483	L227-Q485 VanDerWaalsContact CB-NE2 3.3Å; L227-Q485 VanDerWaalsContact CD1-CD 3.42Å; L227-Q485 HydrophobicContact CD1-CG 4.39Å; L310-Q485 HydrophobicContact CD1-CB 4.27Å; L310-Q485 HydrophobicContact CD1-CG 3.5Å; L310-Q485 VanDerWaalsContact CD1-CG 3.5Å; L310-Q485 HydrophobicContact CD2-CB 3.98Å; L310-Q485 HydrophobicContact CD2-CG 3.67Å; L310-Q485 HydrophobicContact CG-CG 4.15Å; L481-Q485 WeakPolarHBondContact O-CB 3.25Å; L481-Q485 PolarHBondContact O-N 3Å; M482-Q485 WeakPolarHBondContact O-CB 3.43Å; M482-Q485 PolarHBondContact O-N 3.24Å; L483-Q485 PolarHBondContact O-N 3.19Å
486	L	57.4	Low	65.5	Low	26 Å²	26	47.2 Å²	47.2	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-47.5	-178.4	-73.3	166.1	0	0	0	109.9	M482 L483 L488 Y496	M482-L486 WeakPolarHBondContact O-CG 3.5Å; M482-L486 PolarHBondContact O-N 3.42Å; L483-L486 PolarHBondContact O-N 3.44Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 HydrophobicContact CB-CD1 4.03Å; L486-L488 HydrophobicContact CD2-CD1 4.43Å; L486-L488 WeakPolarHBondContact O-CG 3.49Å; L486-L488 PolarHBondContact O-N 3.34Å; L486-Y496 HydrophobicContact CD1-CD1 3.62Å; L486-Y496 HydrophobicContact CD1-CD2 4.13Å; L486-Y496 HydrophobicContact CD1-CE1 3.79Å; L486-Y496 HydrophobicContact CD1-CE2 4.31Å; L486-Y496 HydrophobicContact CD1-CG 3.81Å; L486-Y496 HydrophobicContact CD2-CE1 4.29Å
487	G	52.9	Low	65	Low	8 Å²	8	47.5 Å²	47.5	8%	0.082	22%	0.224	C	C	.	.			trans	59.4	40.5	163.7	0	0	0	0	0	114.2	A224 S225 L483	A224-G487 WeakPolarHBondContact CB-O 3.45Å; S225-G487 PolarHBondContact N-O 3.43Å; L483-G487 PolarHBondContact O-N 3.02Å; L483-G487 VanDerWaalsContact O-N 3.08Å
488	L	51.8	Low	64.1	Low	60 Å²	60	50.6 Å²	50.6	31%	0.314	25%	0.246	S	C	.	.			trans	-102.5	174.8	-173.7	-68.9	147	0	0	0	112	L486 T492 M493 Y496	L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 HydrophobicContact CB-CD1 4.03Å; L486-L488 HydrophobicContact CD2-CD1 4.43Å; L486-L488 WeakPolarHBondContact O-CG 3.49Å; L486-L488 PolarHBondContact O-N 3.34Å; L488-T492 HydrophobicContact CB-CG2 4.26Å; L488-T492 WeakPolarHBondContact CB-OG1 3.39Å; L488-M493 WeakPolarHBondContact O-CE 3.49Å; L488-Y496 HydrophobicContact CD1-CD2 4.43Å; L488-Y496 HydrophobicContact CD1-CE2 3.39Å; L488-Y496 WeakPolarHBondContact CD1-OH 3.27Å
489	S	48.3	Very low	63.4	Low	72 Å²	72	48 Å²	48	50%	0.503	23%	0.234	S	C	.	.			trans	-68.8	167.1	-174.5	63.8	0	0	0	0	114.2	R491 T492 M493	S489-R491 VanDerWaalsContact C-N 3.29Å; S489-R491 PolarHBondContact O-N 2.83Å; S489-R491 VanDerWaalsContact O-N 3.12Å; S489-T492 PolarHBondContact N-OG1 3.5Å; S489-T492 VanDerWaalsContact N-OG1 3.1Å; S489-T492 PolarHBondContact O-N 2.95Å; S489-T492 PolarHBondContact O-OG1 3.02Å; S489-T492 PolarHBondContact OG-OG1 3.05Å; S489-M493 PolarHBondContact O-N 2.91Å
490	L	44.9	Very low	62.8	Low	114 Å²	114	47.5 Å²	47.5	60%	0.597	23%	0.232	S	C	*	.	H	α-helix	trans	-33.2	-54.5	173	-95.1	144.8	0	0	0	114.6	N449 T492 M493	N449-L490 HydrophobicContact CB-CD2 3.56Å; N449-L490 HydrophobicContact CB-CG 3.88Å; N449-L490 VanDerWaalsContact CG-CD2 3.46Å; N449-L490 WeakPolarHBondContact OD1-CD2 3.43Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 3.2Å; L490-M493 PolarHBondContact O-N 3.46Å
491	R	49.1	Very low	62.3	Low	189 Å²	189	51.1 Å²	51.1	71%	0.713	25%	0.249	S	C	*	.	H	α-helix	trans	-70.5	-21.4	-173.1	-67.1	-175.3	177.1	-169.9	-2.7	114.1	S489	S489-R491 VanDerWaalsContact C-N 3.29Å; S489-R491 PolarHBondContact O-N 2.83Å; S489-R491 VanDerWaalsContact O-N 3.12Å
492	T	56.3	Low	61.7	Low	36 Å²	36	52.8 Å²	52.8	22%	0.221	27%	0.265	C	S	.	.	H	α-helix	trans	-86.3	-28.1	-179.2	17.1	0	0	0	0	112.9	L488 S489 L490 R494 Y495 Y496	L488-T492 HydrophobicContact CB-CG2 4.26Å; L488-T492 WeakPolarHBondContact CB-OG1 3.39Å; S489-T492 PolarHBondContact N-OG1 3.5Å; S489-T492 VanDerWaalsContact N-OG1 3.1Å; S489-T492 PolarHBondContact O-N 2.95Å; S489-T492 PolarHBondContact O-OG1 3.02Å; S489-T492 PolarHBondContact OG-OG1 3.05Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 3.2Å; T492-R494 PolarHBondContact O-N 2.98Å; T492-Y495 WeakPolarHBondContact O-CB 3.35Å; T492-Y495 PolarHBondContact O-N 3.28Å; T492-Y496 HydrophobicContact CG2-CE2 4.08Å; T492-Y496 WeakPolarHBondContact O-CD2 3.38Å; T492-Y496 PolarHBondContact O-N 3.04Å; T492-Y496 VanDerWaalsContact O-N 3.13Å
493	M	64.3	Low	61.2	Low	14 Å²	14	56.7 Å²	56.7	7%	0.069	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-45.4	-176.3	-68.7	-166.3	-175.6	0	0	112.5	L448 N449 C450 L483 L488 S489 L490 Y495 Y496 E497	L448-M493 HydrophobicContact CB-SD 4.35Å; L448-M493 HydrophobicContact CD2-CE 3.49Å; L448-M493 VanDerWaalsContact CD2-CE 3.49Å; L448-M493 HydrophobicContact CD2-SD 4.14Å; N449-M493 VanDerWaalsContact C-SD 3.55Å; N449-M493 HydrophobicContact CB-SD 4.21Å; N449-M493 PolarHBondContact N-SD 2.97Å; C450-M493 HydrophobicContact CB-SD 4.49Å; L483-M493 HydrophobicContact CD1-CB 4.46Å; L483-M493 HydrophobicContact CD1-CG 4.34Å; L483-M493 HydrophobicContact CD2-SD 4.45Å; L488-M493 WeakPolarHBondContact O-CE 3.49Å; S489-M493 PolarHBondContact O-N 2.91Å; L490-M493 PolarHBondContact O-N 3.46Å; M493-Y495 VanDerWaalsContact C-N 3.3Å; M493-Y495 PolarHBondContact O-N 3.1Å; M493-Y496 PolarHBondContact O-N 3.28Å; M493-E497 PolarHBondContact O-N 3.31Å
494	R	65.3	Low	60.8	Low	148 Å²	148	60 Å²	60	56%	0.558	30%	0.297	S	S	*	.	H	α-helix	trans	-59.9	-38.3	176.7	-65	-56.6	-167.3	135.7	5.3	113.1	T492 E497 S498	T492-R494 PolarHBondContact O-N 2.98Å; R494-E497 IonicContact NH1-OE2 3.61Å; R494-E497 PolarHBondContact O-N 3.43Å; R494-S498 PolarHBondContact O-N 3.19Å; R494-S498 PolarHBondContact O-OG 2.64Å; R494-S498 VanDerWaalsContact O-OG 3.06Å
495	Y	59.8	Low	60.4	Low	115 Å²	115	66.1 Å²	66.1	45%	0.451	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-44	173.5	176.7	-97.3	0	0	0	111.7	T492 M493 S498 C499	T492-Y495 WeakPolarHBondContact O-CB 3.35Å; T492-Y495 PolarHBondContact O-N 3.28Å; M493-Y495 VanDerWaalsContact C-N 3.3Å; M493-Y495 PolarHBondContact O-N 3.1Å; Y495-S498 PolarHBondContact O-N 2.9Å; Y495-C499 WeakPolarHBondContact CE1-SG 3.05Å; Y495-C499 VanDerWaalsContact CZ-SG 3.58Å; Y495-C499 PolarHBondContact O-N 3.31Å; Y495-C499 PolarHBondContact O-SG 2.95Å
496	Y	64.3	Low	59.9	Low	38 Å²	38	67 Å²	67	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-70.3	-34.1	177.5	-69.6	-64.2	0	0	0	113.6	L486 L488 T492 M493 C499 I500	L486-Y496 HydrophobicContact CD1-CD1 3.62Å; L486-Y496 HydrophobicContact CD1-CD2 4.13Å; L486-Y496 HydrophobicContact CD1-CE1 3.79Å; L486-Y496 HydrophobicContact CD1-CE2 4.31Å; L486-Y496 HydrophobicContact CD1-CG 3.81Å; L486-Y496 HydrophobicContact CD2-CE1 4.29Å; L488-Y496 HydrophobicContact CD1-CD2 4.43Å; L488-Y496 HydrophobicContact CD1-CE2 3.39Å; L488-Y496 WeakPolarHBondContact CD1-OH 3.27Å; T492-Y496 HydrophobicContact CG2-CE2 4.08Å; T492-Y496 WeakPolarHBondContact O-CD2 3.38Å; T492-Y496 PolarHBondContact O-N 3.04Å; T492-Y496 VanDerWaalsContact O-N 3.13Å; M493-Y496 PolarHBondContact O-N 3.28Å; Y496-C499 PolarHBondContact O-N 2.98Å; Y496-I500 WeakPolarHBondContact O-CB 3.36Å; Y496-I500 WeakPolarHBondContact O-CD1 3.28Å; Y496-I500 WeakPolarHBondContact O-CG1 3.41Å; Y496-I500 PolarHBondContact O-N 3.06Å
497	E	74.7	Confident	59.6	Low	6 Å²	6	69.4 Å²	69.4	3%	0.028	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-52.5	169.1	-72	170.9	-141.4	0	0	110.4	C450 S451 F454 M493 R494 C499 I500 E501	C450-E497 WeakPolarHBondContact CA-OE1 3.41Å; C450-E497 WeakPolarHBondContact CB-OE1 3.43Å; S451-E497 WeakPolarHBondContact CB-OE2 3.22Å; S451-E497 PolarHBondContact N-OE1 2.8Å; S451-E497 PolarHBondContact N-OE2 3.27Å; S451-E497 PolarHBondContact OG-OE2 3.06Å; F454-E497 HydrophobicContact CB-CG 4.14Å; F454-E497 HydrophobicContact CD2-CB 4.44Å; F454-E497 HydrophobicContact CD2-CG 3.75Å; F454-E497 HydrophobicContact CE2-CG 4.27Å; F454-E497 HydrophobicContact CG-CG 3.91Å; M493-E497 PolarHBondContact O-N 3.31Å; R494-E497 IonicContact NH1-OE2 3.61Å; R494-E497 PolarHBondContact O-N 3.43Å; E497-C499 VanDerWaalsContact C-N 3.33Å; E497-C499 PolarHBondContact O-N 2.96Å; E497-I500 PolarHBondContact O-N 3.24Å; E497-I500 VanDerWaalsContact O-N 3.15Å; E497-E501 WeakPolarHBondContact O-CG 3.33Å; E497-E501 PolarHBondContact O-N 2.95Å
498	S	66.8	Low	59.9	Low	73 Å²	73	72.8 Å²	72.8	51%	0.51	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-37.5	176.8	-56	0	0	0	0	113.1	R494 Y495 E501 A502	R494-S498 PolarHBondContact O-N 3.19Å; R494-S498 PolarHBondContact O-OG 2.64Å; R494-S498 VanDerWaalsContact O-OG 3.06Å; Y495-S498 PolarHBondContact O-N 2.9Å; S498-E501 PolarHBondContact O-N 3.38Å; S498-A502 VanDerWaalsContact O-CB 3.31Å; S498-A502 WeakPolarHBondContact O-CB 3.37Å; S498-A502 PolarHBondContact O-N 3.28Å
499	C	58.1	Low	60.1	Low	22 Å²	22	73.9 Å²	73.9	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-47.6	172.9	-70.3	0	0	0	0	111.9	Y495 Y496 E497 E501 A502 F503	Y495-C499 WeakPolarHBondContact CE1-SG 3.05Å; Y495-C499 VanDerWaalsContact CZ-SG 3.58Å; Y495-C499 PolarHBondContact O-N 3.31Å; Y495-C499 PolarHBondContact O-SG 2.95Å; Y496-C499 PolarHBondContact O-N 2.98Å; E497-C499 VanDerWaalsContact C-N 3.33Å; E497-C499 PolarHBondContact O-N 2.96Å; C499-E501 VanDerWaalsContact C-N 3.27Å; C499-E501 PolarHBondContact O-N 3.11Å; C499-A502 PolarHBondContact O-N 3.23Å; C499-F503 WeakPolarHBondContact O-CD2 3.39Å; C499-F503 PolarHBondContact O-N 3.4Å
500	I	67.5	Low	60	Low	10 Å²	10	73.7 Å²	73.7	5%	0.051	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-39.2	179.5	-70.7	165.1	0	0	0	110.4	F454 D479 M482 Y496 E497 F503 H504	F454-I500 HydrophobicContact CE2-CD1 3.76Å; F454-I500 HydrophobicContact CE2-CG2 4.36Å; F454-I500 HydrophobicContact CZ-CD1 3.95Å; D479-I500 HydrophobicContact CB-CG2 4.45Å; M482-I500 HydrophobicContact CE-CD1 3.87Å; M482-I500 HydrophobicContact CE-CG1 3.7Å; Y496-I500 WeakPolarHBondContact O-CB 3.36Å; Y496-I500 WeakPolarHBondContact O-CD1 3.28Å; Y496-I500 WeakPolarHBondContact O-CG1 3.41Å; Y496-I500 PolarHBondContact O-N 3.06Å; E497-I500 PolarHBondContact O-N 3.24Å; E497-I500 VanDerWaalsContact O-N 3.15Å; I500-F503 PolarHBondContact O-N 3.35Å; I500-H504 PolarHBondContact O-N 3.3Å; I500-H504 PolarHBondContact O-ND1 3.1Å
501	E	71.8	Confident	60.1	Low	76 Å²	76	71 Å²	71	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-69.2	-44.8	177.2	-75.8	164.7	-176.6	0	0	112.2	R457 E497 S498 C499 F503 H504 E505	R457-E501 IonicContact NH1-OE1 2.7Å; R457-E501 PolarHBondContact NH1-OE1 3.07Å; E497-E501 WeakPolarHBondContact O-CG 3.33Å; E497-E501 PolarHBondContact O-N 2.95Å; S498-E501 PolarHBondContact O-N 3.38Å; C499-E501 VanDerWaalsContact C-N 3.27Å; C499-E501 PolarHBondContact O-N 3.11Å; E501-F503 VanDerWaalsContact C-N 3.27Å; E501-F503 PolarHBondContact O-N 3.37Å; E501-H504 PolarHBondContact O-N 3.34Å; E501-H504 VanDerWaalsContact O-N 3.11Å; E501-E505 PolarHBondContact O-N 2.66Å
502	A	62.6	Low	60.1	Low	54 Å²	54	70.2 Å²	70.2	45%	0.446	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-33.9	172.5	0	0	0	0	0	112.8	S498 C499 A506	S498-A502 VanDerWaalsContact O-CB 3.31Å; S498-A502 WeakPolarHBondContact O-CB 3.37Å; S498-A502 PolarHBondContact O-N 3.28Å; C499-A502 PolarHBondContact O-N 3.23Å; A502-A506 WeakPolarHBondContact O-CB 3.44Å; A502-A506 PolarHBondContact O-N 2.9Å
503	F	57.5	Low	59.3	Low	89 Å²	89	72.3 Å²	72.3	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-68	-39.6	172.3	-82.4	-61.3	0	0	0	112.6	L313 C499 I500 E501 A506 E507	L313-F503 HydrophobicContact CD2-CE2 4.27Å; C499-F503 WeakPolarHBondContact O-CD2 3.39Å; C499-F503 PolarHBondContact O-N 3.4Å; I500-F503 PolarHBondContact O-N 3.35Å; E501-F503 VanDerWaalsContact C-N 3.27Å; E501-F503 PolarHBondContact O-N 3.37Å; F503-A506 PolarHBondContact O-N 3.39Å; F503-E507 PolarHBondContact O-N 3.47Å
504	H	67.5	Low	58.4	Low	72 Å²	72	76.8 Å²	76.8	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-69	-35.9	173.9	-69.9	131.1	0	0	0	112.5	D479 I500 E501 E507 T508	D479-H504 IonicContact OD1-CE1 3.94Å; D479-H504 IonicContact OD1-NE2 4Å; D479-H504 IonicContact OD2-CE1 2.64Å; D479-H504 PolarHBondContact OD2-CE1 3.06Å; I500-H504 PolarHBondContact O-N 3.3Å; I500-H504 PolarHBondContact O-ND1 3.1Å; E501-H504 PolarHBondContact O-N 3.34Å; E501-H504 VanDerWaalsContact O-N 3.11Å; H504-E507 PolarHBondContact O-N 3.2Å; H504-T508 WeakPolarHBondContact O-CB 3.46Å; H504-T508 WeakPolarHBondContact O-CG2 3.5Å; H504-T508 PolarHBondContact O-N 2.97Å; H504-T508 PolarHBondContact O-OG1 2.89Å
505	E	65	Low	57.5	Low	141 Å²	141	74.6 Å²	74.6	66%	0.659	41%	0.409	S	S	*	.	H	α-helix	trans	-63.8	-42.2	172	-169.8	178.3	-179.1	0	0	111.2	E501 T508 S509	E501-E505 PolarHBondContact O-N 2.66Å; E505-T508 WeakPolarHBondContact CA-OG1 3.48Å; E505-T508 PolarHBondContact O-N 3.1Å; E505-T508 PolarHBondContact O-OG1 3.31Å; E505-S509 VanDerWaalsContact O-CB 3.31Å; E505-S509 WeakPolarHBondContact O-CB 3.46Å; E505-S509 PolarHBondContact O-N 2.9Å; E505-S509 PolarHBondContact O-OG 3.21Å
506	A	52.8	Low	57.1	Low	43 Å²	43	71.6 Å²	71.6	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-46.4	171.5	0	0	0	0	0	112.1	A502 F503 T508 S509 L510	A502-A506 WeakPolarHBondContact O-CB 3.44Å; A502-A506 PolarHBondContact O-N 2.9Å; F503-A506 PolarHBondContact O-N 3.39Å; A506-T508 PolarHBondContact O-N 3.48Å; A506-S509 WeakPolarHBondContact CA-OG 3.23Å; A506-S509 PolarHBondContact O-OG 3.05Å; A506-S509 VanDerWaalsContact O-OG 3.07Å; A506-L510 VanDerWaalsContact O-CB 3.29Å; A506-L510 WeakPolarHBondContact O-CB 3.43Å; A506-L510 WeakPolarHBondContact O-CD1 3.47Å; A506-L510 PolarHBondContact O-N 3.28Å
507	E	50.2	Low	56.7	Low	78 Å²	78	76 Å²	76	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-41.7	177.8	-165	-163.5	149.1	0	0	111.7	K300 F503 H504 N511	K300-E507 IonicContact NZ-OE1 3.06Å; K300-E507 PolarHBondContact NZ-OE1 3.46Å; F503-E507 PolarHBondContact O-N 3.47Å; H504-E507 PolarHBondContact O-N 3.2Å; E507-N511 WeakPolarHBondContact O-CB 3.41Å; E507-N511 PolarHBondContact O-N 3.08Å; E507-N511 PolarHBondContact O-ND2 3.07Å
508	T	59	Low	55.8	Low	79 Å²	79	77.1 Å²	77.1	49%	0.485	43%	0.426	S	S	.	.	H	α-helix	trans	-73.1	-39.5	-179.3	49.2	0	0	0	0	113.3	H504 E505 A506 N511	H504-T508 WeakPolarHBondContact O-CB 3.46Å; H504-T508 WeakPolarHBondContact O-CG2 3.5Å; H504-T508 PolarHBondContact O-N 2.97Å; H504-T508 PolarHBondContact O-OG1 2.89Å; E505-T508 WeakPolarHBondContact CA-OG1 3.48Å; E505-T508 PolarHBondContact O-N 3.1Å; E505-T508 PolarHBondContact O-OG1 3.31Å; A506-T508 PolarHBondContact O-N 3.48Å; T508-N511 WeakPolarHBondContact O-CA 3.13Å; T508-N511 WeakPolarHBondContact O-CB 3.35Å; T508-N511 PolarHBondContact O-N 3.42Å
509	S	56.3	Low	55.3	Low	83 Å²	83	74.8 Å²	74.8	58%	0.58	41%	0.409	S	S	*	.	H	α-helix	trans	-66.7	-37.9	172.3	56	0	0	0	0	112	E505 A506 N511	E505-S509 VanDerWaalsContact O-CB 3.31Å; E505-S509 WeakPolarHBondContact O-CB 3.46Å; E505-S509 PolarHBondContact O-N 2.9Å; E505-S509 PolarHBondContact O-OG 3.21Å; A506-S509 WeakPolarHBondContact CA-OG 3.23Å; A506-S509 PolarHBondContact O-OG 3.05Å; A506-S509 VanDerWaalsContact O-OG 3.07Å; S509-N511 PolarHBondContact O-N 2.93Å
510	L	46.2	Very low	55.2	Low	68 Å²	68	76 Å²	76	36%	0.356	42%	0.415	S	S	.	.	H	α-helix	trans	-58.4	-33.5	166.1	-91.7	147.9	0	0	0	111.3	A506 H512 R516 T519	A506-L510 VanDerWaalsContact O-CB 3.29Å; A506-L510 WeakPolarHBondContact O-CB 3.43Å; A506-L510 WeakPolarHBondContact O-CD1 3.47Å; A506-L510 PolarHBondContact O-N 3.28Å; L510-H512 PolarHBondContact O-N 2.93Å; L510-R516 PolarHBondContact O-NH1 3.47Å; L510-R516 PolarHBondContact O-NH2 2.93Å; L510-T519 HydrophobicContact CD2-CG2 4.09Å
511	N	46.4	Very low	54.9	Low	57 Å²	57	77.9 Å²	77.9	31%	0.305	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	4.1	-173.4	-81.3	-36.3	0	0	0	118.3	E507 T508 S509 R516	E507-N511 WeakPolarHBondContact O-CB 3.41Å; E507-N511 PolarHBondContact O-N 3.08Å; E507-N511 PolarHBondContact O-ND2 3.07Å; T508-N511 WeakPolarHBondContact O-CA 3.13Å; T508-N511 WeakPolarHBondContact O-CB 3.35Å; T508-N511 PolarHBondContact O-N 3.42Å; S509-N511 PolarHBondContact O-N 2.93Å; N511-R516 VanDerWaalsContact CA-CZ 3.45Å; N511-R516 PolarHBondContact OD1-NE 2.8Å; N511-R516 PolarHBondContact OD1-NH2 2.98Å
512	H	49.8	Very low	54.6	Low	173 Å²	173	74.9 Å²	74.9	80%	0.801	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-3.3	-178.9	-77	-77.7	0	0	0	118.1	L510	L510-H512 PolarHBondContact O-N 2.93Å
513	T	39.8	Very low	54.6	Low	80 Å²	80	76.2 Å²	76.2	49%	0.491	41%	0.413	S	S	.	.	S	Bend	trans	-113.9	153	-179.8	56.2	0	0	0	0	113.6	F515 R516	T513-F515 PolarHBondContact O-N 2.85Å; T513-R516 WeakPolarHBondContact O-CB 3.49Å; T513-R516 PolarHBondContact O-NH1 2.82Å
514	A	44.3	Very low	54.9	Low	108 Å²	108	75.2 Å²	75.2	89%	0.893	41%	0.408	S	S	*	.	S	Bend	trans	-71.6	-7.7	179.9	0	0	0	0	0	114.3	R516	A514-R516 PolarHBondContact O-N 3.14Å
515	F	47.5	Very low	54.7	Low	101 Å²	101	73.9 Å²	73.9	44%	0.443	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	22.5	176.6	-158	-107.8	0	0	0	114.2	T513 T519 D580	T513-F515 PolarHBondContact O-N 2.85Å; F515-T519 WeakPolarHBondContact CD1-OG1 3.19Å; F515-T519 WeakPolarHBondContact CE1-OG1 3.46Å; F515-T519 WeakPolarHBondContact O-CB 3.37Å; F515-T519 PolarHBondContact O-OG1 3.11Å; F515-D580 HydrophobicContact CE2-CB 4.22Å
516	R	51.6	Low	54.8	Low	53 Å²	53	70.2 Å²	70.2	20%	0.2	39%	0.389	C	S	.	.	H	α-helix	trans	-95.1	-49.3	-147.8	170.9	166.2	-110.4	57.5	50.1	113.2	L510 N511 T513 A514 V520	L510-R516 PolarHBondContact O-NH1 3.47Å; L510-R516 PolarHBondContact O-NH2 2.93Å; N511-R516 VanDerWaalsContact CA-CZ 3.45Å; N511-R516 PolarHBondContact OD1-NE 2.8Å; N511-R516 PolarHBondContact OD1-NH2 2.98Å; T513-R516 WeakPolarHBondContact O-CB 3.49Å; T513-R516 PolarHBondContact O-NH1 2.82Å; A514-R516 PolarHBondContact O-N 3.14Å; R516-V520 WeakPolarHBondContact O-CB 3.44Å; R516-V520 VanDerWaalsContact O-CG2 3.28Å; R516-V520 WeakPolarHBondContact O-CG2 3.39Å; R516-V520 PolarHBondContact O-N 3.43Å
517	H	56	Low	55.3	Low	131 Å²	131	69.9 Å²	69.9	61%	0.606	38%	0.38	S	S	*	.	H	α-helix	trans	-67.1	-46.7	-177.9	-82.6	-86.9	0	0	0	110.6	V520 T521	H517-V520 PolarHBondContact O-N 3.02Å; H517-T521 WeakPolarHBondContact O-CG2 3.42Å; H517-T521 PolarHBondContact O-N 3.38Å; H517-T521 PolarHBondContact O-OG1 2.88Å
518	T	56	Low	55.9	Low	28 Å²	28	68.6 Å²	68.6	17%	0.172	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-46	-179	-45.4	0	0	0	0	112.5	V520 T521 V522 M576 D580	T518-V520 VanDerWaalsContact C-N 3.32Å; T518-V520 PolarHBondContact O-N 2.78Å; T518-T521 WeakPolarHBondContact CA-OG1 3.41Å; T518-T521 PolarHBondContact O-N 3.08Å; T518-T521 PolarHBondContact O-OG1 2.86Å; T518-V522 HydrophobicContact CG2-CG2 4.32Å; T518-V522 WeakPolarHBondContact O-CB 3.49Å; T518-V522 WeakPolarHBondContact O-CG2 3.46Å; T518-V522 PolarHBondContact O-N 2.9Å; T518-M576 HydrophobicContact CG2-CB 3.74Å; T518-M576 WeakPolarHBondContact CG2-O 3.29Å; T518-D580 VanDerWaalsContact CB-CG 3.48Å; T518-D580 VanDerWaalsContact CB-OD1 3.27Å; T518-D580 WeakPolarHBondContact CB-OD1 3.38Å; T518-D580 WeakPolarHBondContact CB-OD2 3.41Å; T518-D580 VanDerWaalsContact CG2-OD1 3.27Å; T518-D580 WeakPolarHBondContact CG2-OD1 3.34Å; T518-D580 VanDerWaalsContact OG1-CG 3.23Å; T518-D580 PolarHBondContact OG1-OD1 2.97Å; T518-D580 PolarHBondContact OG1-OD2 2.94Å; T518-D580 VanDerWaalsContact OG1-OD2 3.08Å
519	T	55.2	Low	56.2	Low	25 Å²	25	65.3 Å²	65.3	15%	0.153	36%	0.356	C	S	.	.	H	α-helix	trans	-60.8	-41.8	177.4	-57.4	0	0	0	0	111.6	L510 F515 V522 I523	L510-T519 HydrophobicContact CD2-CG2 4.09Å; F515-T519 WeakPolarHBondContact CD1-OG1 3.19Å; F515-T519 WeakPolarHBondContact CE1-OG1 3.46Å; F515-T519 WeakPolarHBondContact O-CB 3.37Å; F515-T519 PolarHBondContact O-OG1 3.11Å; T519-V522 PolarHBondContact O-N 3.42Å; T519-I523 HydrophobicContact CG2-CD1 3.96Å; T519-I523 WeakPolarHBondContact O-CB 3.29Å; T519-I523 VanDerWaalsContact O-CG1 3.27Å; T519-I523 WeakPolarHBondContact O-CG1 3.33Å; T519-I523 PolarHBondContact O-N 2.98Å
520	V	56.1	Low	56.4	Low	46 Å²	46	65.6 Å²	65.6	28%	0.279	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-38.3	176.8	173.2	0	0	0	0	111.8	R516 H517 T518 K524	R516-V520 WeakPolarHBondContact O-CB 3.44Å; R516-V520 VanDerWaalsContact O-CG2 3.28Å; R516-V520 WeakPolarHBondContact O-CG2 3.39Å; R516-V520 PolarHBondContact O-N 3.43Å; H517-V520 PolarHBondContact O-N 3.02Å; T518-V520 VanDerWaalsContact C-N 3.32Å; T518-V520 PolarHBondContact O-N 2.78Å; V520-K524 WeakPolarHBondContact O-CB 3.48Å; V520-K524 PolarHBondContact O-N 3.38Å
521	T	62	Low	57.2	Low	51 Å²	51	63.9 Å²	63.9	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-70.7	-36.3	175.6	55.2	0	0	0	0	112.7	H517 T518 K524 N525 M576	H517-T521 WeakPolarHBondContact O-CG2 3.42Å; H517-T521 PolarHBondContact O-N 3.38Å; H517-T521 PolarHBondContact O-OG1 2.88Å; T518-T521 WeakPolarHBondContact CA-OG1 3.41Å; T518-T521 PolarHBondContact O-N 3.08Å; T518-T521 PolarHBondContact O-OG1 2.86Å; T521-K524 PolarHBondContact O-N 3.5Å; T521-N525 WeakPolarHBondContact O-CB 3.45Å; T521-N525 PolarHBondContact O-N 3.35Å; T521-N525 PolarHBondContact O-ND2 3.2Å; T521-M576 PolarHBondContact OG1-SD 3.38Å; T521-M576 VanDerWaalsContact OG1-SD 3.41Å
522	V	66.1	Low	58	Low	12 Å²	12	65.4 Å²	65.4	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-50.3	173.1	167.6	0	0	0	0	110.5	T518 T519 K524 N525 L526 A573 M576 L577	T518-V522 HydrophobicContact CG2-CG2 4.32Å; T518-V522 WeakPolarHBondContact O-CB 3.49Å; T518-V522 WeakPolarHBondContact O-CG2 3.46Å; T518-V522 PolarHBondContact O-N 2.9Å; T519-V522 PolarHBondContact O-N 3.42Å; V522-K524 VanDerWaalsContact C-N 3.33Å; V522-K524 PolarHBondContact O-N 3.19Å; V522-N525 PolarHBondContact O-N 3.32Å; V522-L526 HydrophobicContact CG1-CD1 3.99Å; V522-L526 WeakPolarHBondContact O-CG 3.38Å; V522-L526 PolarHBondContact O-N 3.43Å; V522-A573 HydrophobicContact CG1-CB 3.84Å; V522-M576 HydrophobicContact CG2-CB 3.63Å; V522-M576 HydrophobicContact CG2-SD 4.2Å; V522-L577 HydrophobicContact CG2-CD2 4.27Å; V522-L577 HydrophobicContact CG2-CG 4.06Å
523	I	62.1	Low	58.7	Low	82 Å²	82	59 Å²	59	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-44.9	176.4	-69.6	167.1	0	0	0	110.4	T519 L526 M527	T519-I523 HydrophobicContact CG2-CD1 3.96Å; T519-I523 WeakPolarHBondContact O-CB 3.29Å; T519-I523 VanDerWaalsContact O-CG1 3.27Å; T519-I523 WeakPolarHBondContact O-CG1 3.33Å; T519-I523 PolarHBondContact O-N 2.98Å; I523-L526 PolarHBondContact O-N 3.03Å; I523-M527 HydrophobicContact CG2-CG 4.28Å; I523-M527 HydrophobicContact CG2-SD 3.77Å; I523-M527 WeakPolarHBondContact O-CB 3.31Å; I523-M527 VanDerWaalsContact O-CG 3.28Å; I523-M527 WeakPolarHBondContact O-CG 3.33Å; I523-M527 PolarHBondContact O-N 3.44Å
524	K	62.7	Low	59.5	Low	68 Å²	68	56.4 Å²	56.4	30%	0.296	31%	0.306	S	S	.	.	H	α-helix	trans	-59	-50.7	177	177.6	172.7	173.6	171	0	112.1	I294 V520 T521 V522 L526 M527 D528	I294-K524 PolarHBondContact O-NZ 2.87Å; I294-K524 VanDerWaalsContact O-NZ 3.1Å; V520-K524 WeakPolarHBondContact O-CB 3.48Å; V520-K524 PolarHBondContact O-N 3.38Å; T521-K524 PolarHBondContact O-N 3.5Å; V522-K524 VanDerWaalsContact C-N 3.33Å; V522-K524 PolarHBondContact O-N 3.19Å; K524-L526 VanDerWaalsContact C-N 3.29Å; K524-L526 PolarHBondContact O-N 3.31Å; K524-M527 PolarHBondContact O-N 3.45Å; K524-M527 VanDerWaalsContact O-N 3.11Å; K524-D528 WeakPolarHBondContact CE-OD2 3.49Å; K524-D528 WeakPolarHBondContact CG-OD2 3.12Å; K524-D528 WeakPolarHBondContact O-CB 3.18Å; K524-D528 PolarHBondContact O-N 2.88Å
525	N	63.2	Low	60.5	Low	44 Å²	44	53.3 Å²	53.3	24%	0.235	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-38.8	-178.6	-68.1	-18.9	0	0	0	112.1	T521 V522 A529 T572 M576	T521-N525 WeakPolarHBondContact O-CB 3.45Å; T521-N525 PolarHBondContact O-N 3.35Å; T521-N525 PolarHBondContact O-ND2 3.2Å; V522-N525 PolarHBondContact O-N 3.32Å; N525-A529 WeakPolarHBondContact O-CB 3.48Å; N525-A529 PolarHBondContact O-N 2.99Å; N525-A529 VanDerWaalsContact O-N 3.11Å; N525-T572 WeakPolarHBondContact ND2-CG2 3.3Å; N525-M576 WeakPolarHBondContact ND2-CE 3.48Å; N525-M576 PolarHBondContact ND2-SD 3.41Å
526	L	67.3	Low	61.3	Low	65 Å²	65	50.1 Å²	50.1	34%	0.34	26%	0.264	S	S	.	.	H	α-helix	trans	-68.7	-39.1	174.5	-67.7	170.5	0	0	0	111.9	V522 I523 K524 L530 A569 A573	V522-L526 HydrophobicContact CG1-CD1 3.99Å; V522-L526 WeakPolarHBondContact O-CG 3.38Å; V522-L526 PolarHBondContact O-N 3.43Å; I523-L526 PolarHBondContact O-N 3.03Å; K524-L526 VanDerWaalsContact C-N 3.29Å; K524-L526 PolarHBondContact O-N 3.31Å; L526-L530 WeakPolarHBondContact O-CB 3.28Å; L526-L530 VanDerWaalsContact O-CG 3.24Å; L526-L530 WeakPolarHBondContact O-CG 3.41Å; L526-L530 PolarHBondContact O-N 3.04Å; L526-A569 HydrophobicContact CD2-CB 4.37Å; L526-A573 HydrophobicContact CD1-CB 4.35Å; L526-A573 HydrophobicContact CD2-CB 4.23Å; L526-A573 HydrophobicContact CG-CB 4.27Å
527	M	63.2	Low	61.7	Low	36 Å²	36	49.7 Å²	49.7	18%	0.177	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-44.8	175.3	-76.5	179.9	66.9	0	0	112.4	I294 L312 I523 K524 L530 I531	I294-M527 HydrophobicContact CD1-CE 3.96Å; L312-M527 HydrophobicContact CD1-CE 3.71Å; L312-M527 HydrophobicContact CD1-CG 4.09Å; L312-M527 HydrophobicContact CD1-SD 4.38Å; I523-M527 HydrophobicContact CG2-CG 4.28Å; I523-M527 HydrophobicContact CG2-SD 3.77Å; I523-M527 WeakPolarHBondContact O-CB 3.31Å; I523-M527 VanDerWaalsContact O-CG 3.28Å; I523-M527 WeakPolarHBondContact O-CG 3.33Å; I523-M527 PolarHBondContact O-N 3.44Å; K524-M527 PolarHBondContact O-N 3.45Å; K524-M527 VanDerWaalsContact O-N 3.11Å; M527-L530 PolarHBondContact O-N 3.1Å; M527-I531 VanDerWaalsContact O-CG1 3.28Å; M527-I531 WeakPolarHBondContact O-CG1 3.41Å; M527-I531 PolarHBondContact O-N 3.45Å
528	D	62.7	Low	61.7	Low	51 Å²	51	46.8 Å²	46.8	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-44.8	178.6	-70.8	-19.6	0	0	0	110.1	K524 I531 D532	K524-D528 WeakPolarHBondContact CE-OD2 3.49Å; K524-D528 WeakPolarHBondContact CG-OD2 3.12Å; K524-D528 WeakPolarHBondContact O-CB 3.18Å; K524-D528 PolarHBondContact O-N 2.88Å; D528-I531 WeakPolarHBondContact O-CB 3.38Å; D528-I531 PolarHBondContact O-N 2.7Å; D528-D532 PolarHBondContact O-N 2.88Å
529	A	66	Low	62	Low	9 Å²	9	52.7 Å²	52.7	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-40.8	174.9	0	0	0	0	0	113.6	N525 I531 D532 I533 A569	N525-A529 WeakPolarHBondContact O-CB 3.48Å; N525-A529 PolarHBondContact O-N 2.99Å; N525-A529 VanDerWaalsContact O-N 3.11Å; A529-I531 VanDerWaalsContact C-N 3.28Å; A529-I531 PolarHBondContact O-N 3.06Å; A529-D532 PolarHBondContact O-N 3.23Å; A529-I533 WeakPolarHBondContact O-CB 3.32Å; A529-I533 WeakPolarHBondContact O-CD1 3.43Å; A529-I533 WeakPolarHBondContact O-CG1 3.37Å; A529-I533 PolarHBondContact O-N 3.48Å; A529-A569 HydrophobicContact CB-CB 3.32Å
530	L	60.4	Low	62.2	Low	89 Å²	89	52.8 Å²	52.8	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-35.3	173.4	-75.5	172	0	0	0	111.9	L312 L526 M527 S534	L312-L530 HydrophobicContact CD2-CD1 4.01Å; L526-L530 WeakPolarHBondContact O-CB 3.28Å; L526-L530 VanDerWaalsContact O-CG 3.24Å; L526-L530 WeakPolarHBondContact O-CG 3.41Å; L526-L530 PolarHBondContact O-N 3.04Å; M527-L530 PolarHBondContact O-N 3.1Å; L530-S534 WeakPolarHBondContact O-CB 3.34Å; L530-S534 PolarHBondContact O-N 2.81Å; L530-S534 VanDerWaalsContact O-N 3.1Å; L530-S534 PolarHBondContact O-OG 3.04Å
531	I	63.4	Low	62.3	Low	33 Å²	33	57.1 Å²	57.1	17%	0.169	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-53.3	173.1	-71.6	163.8	0	0	0	109.5	M527 D528 A529 S534 V535	M527-I531 VanDerWaalsContact O-CG1 3.28Å; M527-I531 WeakPolarHBondContact O-CG1 3.41Å; M527-I531 PolarHBondContact O-N 3.45Å; D528-I531 WeakPolarHBondContact O-CB 3.38Å; D528-I531 PolarHBondContact O-N 2.7Å; A529-I531 VanDerWaalsContact C-N 3.28Å; A529-I531 PolarHBondContact O-N 3.06Å; I531-S534 CarbonylContact O-C 3.58Å; I531-S534 WeakPolarHBondContact O-CA 3.48Å; I531-S534 PolarHBondContact O-N 2.95Å; I531-S534 VanDerWaalsContact O-N 3.08Å; I531-S534 PolarHBondContact O-OG 3.32Å; I531-V535 WeakPolarHBondContact O-CG2 3.41Å; I531-V535 PolarHBondContact O-N 2.92Å
532	D	63.1	Low	62.4	Low	88 Å²	88	58.7 Å²	58.7	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-51.6	-178.6	-79.1	-16.7	0	0	0	112.7	D528 A529 S534 V535 I536	D528-D532 PolarHBondContact O-N 2.88Å; A529-D532 PolarHBondContact O-N 3.23Å; D532-S534 PolarHBondContact O-N 3.1Å; D532-V535 PolarHBondContact O-N 2.76Å; D532-I536 WeakPolarHBondContact O-CD1 3.38Å; D532-I536 WeakPolarHBondContact O-CG1 3.45Å; D532-I536 PolarHBondContact O-N 2.82Å
533	I	64.5	Low	62	Low	39 Å²	39	61.8 Å²	61.8	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-52.3	-42.8	174	-69.2	163.8	0	0	0	110.2	A529 V535 I536 A537 M562 A566	A529-I533 WeakPolarHBondContact O-CB 3.32Å; A529-I533 WeakPolarHBondContact O-CD1 3.43Å; A529-I533 WeakPolarHBondContact O-CG1 3.37Å; A529-I533 PolarHBondContact O-N 3.48Å; I533-V535 VanDerWaalsContact C-N 3.33Å; I533-V535 PolarHBondContact O-N 2.88Å; I533-I536 PolarHBondContact O-N 2.9Å; I533-A537 WeakPolarHBondContact O-CB 3.22Å; I533-A537 PolarHBondContact O-N 3.02Å; I533-M562 HydrophobicContact CG1-CB 4.47Å; I533-M562 HydrophobicContact CG2-CB 4.33Å; I533-M562 HydrophobicContact CG2-CG 4.08Å; I533-M562 HydrophobicContact CG2-SD 4.04Å; I533-A566 HydrophobicContact CD1-CB 3.87Å
534	S	56.7	Low	61.8	Low	26 Å²	26	60.4 Å²	60.4	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-75.8	-17.5	-177.5	88.4	0	0	0	0	114.8	K311 L530 I531 D532 D538	K311-S534 WeakPolarHBondContact CE-OG 3.35Å; K311-S534 PolarHBondContact NZ-O 3.38Å; K311-S534 VanDerWaalsContact NZ-O 3.14Å; K311-S534 PolarHBondContact NZ-OG 3.39Å; L530-S534 WeakPolarHBondContact O-CB 3.34Å; L530-S534 PolarHBondContact O-N 2.81Å; L530-S534 VanDerWaalsContact O-N 3.1Å; L530-S534 PolarHBondContact O-OG 3.04Å; I531-S534 CarbonylContact O-C 3.58Å; I531-S534 WeakPolarHBondContact O-CA 3.48Å; I531-S534 PolarHBondContact O-N 2.95Å; I531-S534 VanDerWaalsContact O-N 3.08Å; I531-S534 PolarHBondContact O-OG 3.32Å; D532-S534 PolarHBondContact O-N 3.1Å; S534-D538 PolarHBondContact O-N 3.14Å
535	V	64	Low	61.3	Low	43 Å²	43	61 Å²	61	26%	0.261	33%	0.33	S	S	.	.	H	α-helix	trans	-84.1	-39.6	171.2	169.3	0	0	0	0	109.9	F291 I531 D532 I533 D538 R539	F291-V535 HydrophobicContact CE1-CG1 4.43Å; F291-V535 HydrophobicContact CE1-CG2 4.16Å; I531-V535 WeakPolarHBondContact O-CG2 3.41Å; I531-V535 PolarHBondContact O-N 2.92Å; D532-V535 PolarHBondContact O-N 2.76Å; I533-V535 VanDerWaalsContact C-N 3.33Å; I533-V535 PolarHBondContact O-N 2.88Å; V535-D538 PolarHBondContact O-N 2.94Å; V535-R539 WeakPolarHBondContact O-CB 3.16Å; V535-R539 PolarHBondContact O-N 2.92Å
536	I	64.5	Low	61	Low	34 Å²	34	63 Å²	63	17%	0.174	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-47.9	172.8	-62.5	155.9	0	0	0	109.8	D532 I533 D538 R539 V540 V561 M562	D532-I536 WeakPolarHBondContact O-CD1 3.38Å; D532-I536 WeakPolarHBondContact O-CG1 3.45Å; D532-I536 PolarHBondContact O-N 2.82Å; I533-I536 PolarHBondContact O-N 2.9Å; I536-D538 PolarHBondContact O-N 2.87Å; I536-R539 WeakPolarHBondContact O-CB 3.47Å; I536-R539 PolarHBondContact O-N 3Å; I536-R539 VanDerWaalsContact O-N 3.13Å; I536-V540 HydrophobicContact CG2-CG2 4.35Å; I536-V540 WeakPolarHBondContact O-CG2 3.26Å; I536-V540 PolarHBondContact O-N 2.82Å; I536-V561 HydrophobicContact CD1-CG1 3.7Å; I536-M562 HydrophobicContact CB-CG 3.88Å; I536-M562 HydrophobicContact CB-SD 4.28Å; I536-M562 HydrophobicContact CD1-CG 4.22Å; I536-M562 HydrophobicContact CG2-CG 3.6Å; I536-M562 HydrophobicContact CG2-SD 4.02Å
537	A	59.5	Low	60.1	Low	43 Å²	43	63 Å²	63	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-41.3	178.1	0	0	0	0	0	113.1	I533 V540 H541 M562	I533-A537 WeakPolarHBondContact O-CB 3.22Å; I533-A537 PolarHBondContact O-N 3.02Å; A537-V540 PolarHBondContact O-N 2.79Å; A537-H541 WeakPolarHBondContact O-CB 3.27Å; A537-H541 PolarHBondContact O-N 3.34Å; A537-M562 HydrophobicContact CB-SD 3.95Å
538	D	56	Low	59.4	Low	70 Å²	70	67.6 Å²	67.6	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-65.8	-39.2	174.9	175.3	71.5	0	0	0	112	S534 V535 I536 H541 K542	S534-D538 PolarHBondContact O-N 3.14Å; V535-D538 PolarHBondContact O-N 2.94Å; I536-D538 PolarHBondContact O-N 2.87Å; D538-H541 PolarHBondContact O-N 3.39Å; D538-K542 WeakPolarHBondContact O-CG 3.47Å; D538-K542 PolarHBondContact O-N 3.49Å; D538-K542 IonicContact OD1-NZ 2.76Å; D538-K542 VanDerWaalsContact OD2-CE 3.31Å; D538-K542 WeakPolarHBondContact OD2-CE 3.34Å; D538-K542 IonicContact OD2-NZ 3.69Å; D538-K542 PolarHBondContact OD2-NZ 3.42Å
539	R	62.8	Low	58.6	Low	153 Å²	153	72.8 Å²	72.8	58%	0.577	40%	0.396	S	S	*	.	H	α-helix	trans	-63.6	-44.7	173.5	-170.8	-175.5	-60.1	-98	3.1	111.8	V535 I536 K542 H543	V535-R539 WeakPolarHBondContact O-CB 3.16Å; V535-R539 PolarHBondContact O-N 2.92Å; I536-R539 WeakPolarHBondContact O-CB 3.47Å; I536-R539 PolarHBondContact O-N 3Å; I536-R539 VanDerWaalsContact O-N 3.13Å; R539-K542 PolarHBondContact O-N 3.3Å; R539-H543 PolarHBondContact O-CD2 3.38Å; R539-H543 PolarHBondContact O-N 2.87Å
540	V	59.6	Low	57.4	Low	27 Å²	27	83.5 Å²	83.5	16%	0.164	44%	0.436	C	S	.	.	H	α-helix	trans	-60.5	-46.2	174.9	173.5	0	0	0	0	110.9	I536 A537 K542 H543 A544 S558	I536-V540 HydrophobicContact CG2-CG2 4.35Å; I536-V540 WeakPolarHBondContact O-CG2 3.26Å; I536-V540 PolarHBondContact O-N 2.82Å; A537-V540 PolarHBondContact O-N 2.79Å; V540-K542 VanDerWaalsContact C-N 3.3Å; V540-K542 PolarHBondContact O-N 3.49Å; V540-H543 PolarHBondContact O-N 3.42Å; V540-A544 VanDerWaalsContact O-CB 3.24Å; V540-A544 WeakPolarHBondContact O-CB 3.24Å; V540-A544 PolarHBondContact O-N 2.87Å; V540-S558 WeakPolarHBondContact CG2-OG 3.4Å
541	H	58.8	Low	56.5	Low	137 Å²	137	81.5 Å²	81.5	63%	0.634	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-36.8	-179.8	-167.1	64.1	0	0	0	112.1	A537 D538 A545	A537-H541 WeakPolarHBondContact O-CB 3.27Å; A537-H541 PolarHBondContact O-N 3.34Å; D538-H541 PolarHBondContact O-N 3.39Å; H541-A545 WeakPolarHBondContact O-CB 3.27Å; H541-A545 PolarHBondContact O-N 3.05Å; H541-A545 VanDerWaalsContact O-N 3.16Å
542	K	62.9	Low	55.7	Low	84 Å²	84	83 Å²	83	37%	0.365	45%	0.452	S	S	.	.	H	α-helix	trans	-63.6	-53	172.7	-75.5	164.7	178.1	166.8	0	112.2	L231 D538 R539 V540 A544 A545 T546	L231-K542 HydrophobicContact CD2-CD 4.19Å; L231-K542 HydrophobicContact CD2-CG 3.85Å; D538-K542 WeakPolarHBondContact O-CG 3.47Å; D538-K542 PolarHBondContact O-N 3.49Å; D538-K542 IonicContact OD1-NZ 2.76Å; D538-K542 VanDerWaalsContact OD2-CE 3.31Å; D538-K542 WeakPolarHBondContact OD2-CE 3.34Å; D538-K542 IonicContact OD2-NZ 3.69Å; D538-K542 PolarHBondContact OD2-NZ 3.42Å; R539-K542 PolarHBondContact O-N 3.3Å; V540-K542 VanDerWaalsContact C-N 3.3Å; V540-K542 PolarHBondContact O-N 3.49Å; K542-A544 PolarHBondContact O-N 2.81Å; K542-A545 PolarHBondContact O-N 3.02Å; K542-A545 VanDerWaalsContact O-N 3.13Å; K542-T546 PolarHBondContact O-N 3.41Å; K542-T546 PolarHBondContact O-OG1 3.37Å
543	H	58.3	Low	55.2	Low	77 Å²	77	82 Å²	82	36%	0.356	46%	0.456	S	S	.	.	H	α-helix	trans	-61	-43.6	178.9	-83.2	-81.4	0	0	0	112.4	R539 V540 A545 T546 E547	R539-H543 PolarHBondContact O-CD2 3.38Å; R539-H543 PolarHBondContact O-N 2.87Å; V540-H543 PolarHBondContact O-N 3.42Å; H543-A545 PolarHBondContact O-N 2.65Å; H543-T546 WeakPolarHBondContact CA-OG1 3.36Å; H543-T546 PolarHBondContact O-N 2.64Å; H543-T546 VanDerWaalsContact O-N 3.11Å; H543-T546 PolarHBondContact O-OG1 3.13Å; H543-T546 VanDerWaalsContact O-OG1 3.1Å; H543-E547 IonicContact CE1-OE1 2.64Å; H543-E547 IonicContact CG-OE1 2.84Å; H543-E547 IonicContact ND1-OE1 3.16Å; H543-E547 PolarHBondContact ND1-OE1 2.85Å; H543-E547 PolarHBondContact O-N 3.02Å
544	A	57.7	Low	54.5	Low	53 Å²	53	84 Å²	84	44%	0.438	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-20.3	176.9	0	0	0	0	0	113.9	V540 K542	V540-A544 VanDerWaalsContact O-CB 3.24Å; V540-A544 WeakPolarHBondContact O-CB 3.24Å; V540-A544 PolarHBondContact O-N 2.87Å; K542-A544 PolarHBondContact O-N 2.81Å
545	A	53.2	Low	54.4	Low	79 Å²	79	85.9 Å²	85.9	65%	0.653	48%	0.476	S	S	*	.	H	α-helix	trans	-90.9	-17.6	174.8	0	0	0	0	0	113.6	H541 K542 H543	H541-A545 WeakPolarHBondContact O-CB 3.27Å; H541-A545 PolarHBondContact O-N 3.05Å; H541-A545 VanDerWaalsContact O-N 3.16Å; K542-A545 PolarHBondContact O-N 3.02Å; K542-A545 VanDerWaalsContact O-N 3.13Å; H543-A545 PolarHBondContact O-N 2.65Å
546	T	57.3	Low	53.9	Low	87 Å²	87	87 Å²	87	53%	0.534	49%	0.485	S	S	.	.	H	α-helix	trans	-100.3	-27.8	-178.8	50.5	0	0	0	0	114.2	K542 H543	K542-T546 PolarHBondContact O-N 3.41Å; K542-T546 PolarHBondContact O-OG1 3.37Å; H543-T546 WeakPolarHBondContact CA-OG1 3.36Å; H543-T546 PolarHBondContact O-N 2.64Å; H543-T546 VanDerWaalsContact O-N 3.11Å; H543-T546 PolarHBondContact O-OG1 3.13Å; H543-T546 VanDerWaalsContact O-OG1 3.1Å
547	E	48.1	Very low	53.9	Low	65 Å²	65	91.8 Å²	91.8	30%	0.304	51%	0.506	S	S	.	.			trans	-99.9	103.4	-173.2	-70.8	164.4	-149.2	0	0	111.1	H543 E549 T551	H543-E547 IonicContact CE1-OE1 2.64Å; H543-E547 IonicContact CG-OE1 2.84Å; H543-E547 IonicContact ND1-OE1 3.16Å; H543-E547 PolarHBondContact ND1-OE1 2.85Å; H543-E547 PolarHBondContact O-N 3.02Å; E547-E549 VanDerWaalsContact C-N 3.31Å; E547-T551 HydrophobicContact CB-CG2 3.59Å; E547-T551 WeakPolarHBondContact OE2-CG2 3.44Å
548	T	48.4	Very low	54	Low	132 Å²	132	90.9 Å²	90.9	81%	0.81	50%	0.497	S	S	*	.	S	Bend	trans	-80.3	-9.4	178	47.4	0	0	0	0	114
549	E	44.9	Very low	54.3	Low	161 Å²	161	91.8 Å²	91.8	75%	0.752	50%	0.501	S	S	*	.	S	Bend	trans	-138.8	144.1	178.6	-66	179.8	125.7	0	0	109.8	E547	E547-E549 VanDerWaalsContact C-N 3.31Å
550	Y	41.7	Very low	54.5	Low	234 Å²	234	87.5 Å²	87.5	92%	0.918	49%	0.492	S	S	*	.			trans	72.4	28.5	162.9	-119.7	-88.3	0	0	0	120.9	G552	Y550-G552 VanDerWaalsContact C-N 3.27Å; Y550-G552 PolarHBondContact O-N 3.45Å
551	T	42.2	Very low	54.9	Low	46 Å²	46	89.8 Å²	89.8	28%	0.282	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-76.4	6	179.1	47.3	0	0	0	0	117	E547 A553 L554	E547-T551 HydrophobicContact CB-CG2 3.59Å; E547-T551 WeakPolarHBondContact OE2-CG2 3.44Å; T551-A553 PolarHBondContact O-N 2.79Å; T551-L554 PolarHBondContact O-N 2.94Å
552	G	46.1	Very low	55.3	Low	66 Å²	66	85 Å²	85	68%	0.68	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-61	-19.4	-169.1	0	0	0	0	0	117	Y550 P556	Y550-G552 VanDerWaalsContact C-N 3.27Å; Y550-G552 PolarHBondContact O-N 3.45Å; G552-P556 WeakPolarHBondContact O-CD 3.39Å; G552-P556 WeakPolarHBondContact O-CG 3.43Å
553	A	51.8	Low	55.4	Low	67 Å²	67	85.8 Å²	85.8	55%	0.554	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-99.9	-29.1	-180	0	0	0	0	0	114.4	T551 H557	T551-A553 PolarHBondContact O-N 2.79Å; A553-H557 PolarHBondContact O-N 3.29Å; A553-H557 PolarHBondContact O-ND1 2.75Å
554	L	49.7	Very low	56	Low	80 Å²	80	86.4 Å²	86.4	42%	0.419	49%	0.494	S	S	.	.	H	α-helix	trans	-77.9	-41.6	-171.2	-89.6	163.8	0	0	0	113.3	T551 S558	T551-L554 PolarHBondContact O-N 2.94Å; L554-S558 WeakPolarHBondContact O-CB 3.24Å; L554-S558 PolarHBondContact O-N 3.22Å; L554-S558 PolarHBondContact O-OG 3.06Å
555	V	54.3	Low	56.5	Low	65 Å²	65	84.8 Å²	84.8	39%	0.394	48%	0.48	S	S	.	.	H	α-helix	trans	-66.6	-45.9	-179.8	-178.7	0	0	0	0	111.5	S558 L559	V555-S558 PolarHBondContact O-N 2.77Å; V555-L559 WeakPolarHBondContact O-CB 3.4Å; V555-L559 PolarHBondContact O-N 3.36Å
556	P	54.8	Low	57	Low	68 Å²	68	83 Å²	83	44%	0.442	47%	0.465	S	S	.	.	H	α-helix	trans	-61.1	-44.5	174.8	-25	36	0	0	0	113.5	G552 S558 L559 T560	G552-P556 WeakPolarHBondContact O-CD 3.39Å; G552-P556 WeakPolarHBondContact O-CG 3.43Å; P556-S558 VanDerWaalsContact C-N 3.33Å; P556-S558 PolarHBondContact O-N 3.02Å; P556-L559 PolarHBondContact O-N 3.09Å; P556-T560 WeakPolarHBondContact O-CG2 3.41Å; P556-T560 PolarHBondContact O-N 2.91Å; P556-T560 PolarHBondContact O-OG1 3.26Å
557	H	64.6	Low	57.4	Low	133 Å²	133	83.9 Å²	83.9	62%	0.616	47%	0.466	S	S	*	.	H	α-helix	trans	-62.5	-39.8	178.2	-87.2	77.8	0	0	0	112.6	A553 T560 V561	A553-H557 PolarHBondContact O-N 3.29Å; A553-H557 PolarHBondContact O-ND1 2.75Å; H557-T560 PolarHBondContact O-OG1 3.26Å; H557-V561 VanDerWaalsContact O-CG2 3.26Å; H557-V561 WeakPolarHBondContact O-CG2 3.33Å; H557-V561 PolarHBondContact O-N 3.31Å
558	S	61	Low	58.7	Low	24 Å²	24	86.3 Å²	86.3	17%	0.168	48%	0.478	C	S	.	.	H	α-helix	trans	-73.8	-33.4	-179.9	-52.8	0	0	0	0	111.8	V540 L554 V555 P556 M562	V540-S558 WeakPolarHBondContact CG2-OG 3.4Å; L554-S558 WeakPolarHBondContact O-CB 3.24Å; L554-S558 PolarHBondContact O-N 3.22Å; L554-S558 PolarHBondContact O-OG 3.06Å; V555-S558 PolarHBondContact O-N 2.77Å; P556-S558 VanDerWaalsContact C-N 3.33Å; P556-S558 PolarHBondContact O-N 3.02Å; S558-M562 WeakPolarHBondContact O-CG 3.44Å; S558-M562 PolarHBondContact O-N 2.83Å
559	L	61.3	Low	59.6	Low	90 Å²	90	80.5 Å²	80.5	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-44.1	172.7	-173.4	68.7	0	0	0	111.7	V555 P556 M562 Q563	V555-L559 WeakPolarHBondContact O-CB 3.4Å; V555-L559 PolarHBondContact O-N 3.36Å; P556-L559 PolarHBondContact O-N 3.09Å; L559-M562 HydrophobicContact CD1-CE 4.22Å; L559-M562 PolarHBondContact O-N 3.46Å; L559-Q563 WeakPolarHBondContact O-CG 3.26Å; L559-Q563 PolarHBondContact O-N 3.19Å
560	T	67.4	Low	60.7	Low	62 Å²	62	78.3 Å²	78.3	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-66.4	-37.5	176.9	54.1	0	0	0	0	112.1	P556 H557 Q563 I564	P556-T560 WeakPolarHBondContact O-CG2 3.41Å; P556-T560 PolarHBondContact O-N 2.91Å; P556-T560 PolarHBondContact O-OG1 3.26Å; H557-T560 PolarHBondContact O-OG1 3.26Å; T560-Q563 PolarHBondContact O-N 3.43Å; T560-I564 WeakPolarHBondContact O-CB 3.42Å; T560-I564 WeakPolarHBondContact O-CD1 3.34Å; T560-I564 VanDerWaalsContact O-CG1 3.23Å; T560-I564 WeakPolarHBondContact O-CG1 3.43Å; T560-I564 PolarHBondContact O-N 3.01Å
561	V	67.8	Low	62.2	Low	76 Å²	76	72 Å²	72	46%	0.461	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-40.6	173.3	176.4	0	0	0	0	111.5	I536 H557 S565	I536-V561 HydrophobicContact CD1-CG1 3.7Å; H557-V561 VanDerWaalsContact O-CG2 3.26Å; H557-V561 WeakPolarHBondContact O-CG2 3.33Å; H557-V561 PolarHBondContact O-N 3.31Å; V561-S565 WeakPolarHBondContact O-CB 3.08Å; V561-S565 PolarHBondContact O-N 2.97Å
562	M	68	Low	63.6	Low	35 Å²	35	72.4 Å²	72.4	17%	0.172	42%	0.417	C	S	.	.	H	α-helix	trans	-64	-39.7	174.4	-72.4	-175.2	-67.3	0	0	112.4	I533 I536 A537 S558 L559 A566	I533-M562 HydrophobicContact CG1-CB 4.47Å; I533-M562 HydrophobicContact CG2-CB 4.33Å; I533-M562 HydrophobicContact CG2-CG 4.08Å; I533-M562 HydrophobicContact CG2-SD 4.04Å; I536-M562 HydrophobicContact CB-CG 3.88Å; I536-M562 HydrophobicContact CB-SD 4.28Å; I536-M562 HydrophobicContact CD1-CG 4.22Å; I536-M562 HydrophobicContact CG2-CG 3.6Å; I536-M562 HydrophobicContact CG2-SD 4.02Å; A537-M562 HydrophobicContact CB-SD 3.95Å; S558-M562 WeakPolarHBondContact O-CG 3.44Å; S558-M562 PolarHBondContact O-N 2.83Å; L559-M562 HydrophobicContact CD1-CE 4.22Å; L559-M562 PolarHBondContact O-N 3.46Å; M562-A566 WeakPolarHBondContact O-CB 3.41Å; M562-A566 PolarHBondContact O-N 2.93Å
563	Q	64.5	Low	64.7	Low	102 Å²	102	69.5 Å²	69.5	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-50.3	175.3	-73.8	173.3	-34.2	0	0	111.6	L559 T560 S565 A566 D567	L559-Q563 WeakPolarHBondContact O-CG 3.26Å; L559-Q563 PolarHBondContact O-N 3.19Å; T560-Q563 PolarHBondContact O-N 3.43Å; Q563-S565 VanDerWaalsContact C-N 3.3Å; Q563-S565 PolarHBondContact O-N 3.48Å; Q563-A566 PolarHBondContact O-N 3.42Å; Q563-A566 VanDerWaalsContact O-N 3.15Å; Q563-D567 WeakPolarHBondContact O-CB 3.36Å; Q563-D567 PolarHBondContact O-N 3.43Å
564	I	71.2	Confident	65.4	Low	89 Å²	89	69 Å²	69	46%	0.456	38%	0.38	S	S	.	.	H	α-helix	trans	-58.3	-42.6	178.3	-68.9	163.5	0	0	0	111	T560 D567 Q568	T560-I564 WeakPolarHBondContact O-CB 3.42Å; T560-I564 WeakPolarHBondContact O-CD1 3.34Å; T560-I564 VanDerWaalsContact O-CG1 3.23Å; T560-I564 WeakPolarHBondContact O-CG1 3.43Å; T560-I564 PolarHBondContact O-N 3.01Å; I564-D567 PolarHBondContact O-N 2.94Å; I564-Q568 HydrophobicContact CG2-CG 4.3Å; I564-Q568 VanDerWaalsContact O-CB 3.29Å; I564-Q568 WeakPolarHBondContact O-CB 3.46Å; I564-Q568 WeakPolarHBondContact O-CG 3.38Å; I564-Q568 PolarHBondContact O-N 3.09Å
565	S	67.9	Low	66.6	Low	20 Å²	20	71.2 Å²	71.2	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-62.7	-43.9	176.8	179.2	0	0	0	0	112.2	V561 Q563 A569	V561-S565 WeakPolarHBondContact O-CB 3.08Å; V561-S565 PolarHBondContact O-N 2.97Å; Q563-S565 VanDerWaalsContact C-N 3.3Å; Q563-S565 PolarHBondContact O-N 3.48Å; S565-A569 WeakPolarHBondContact O-CB 3.49Å; S565-A569 PolarHBondContact O-N 3.3Å; S565-A569 VanDerWaalsContact O-N 3.09Å
566	A	64.4	Low	67.3	Low	40 Å²	40	70.9 Å²	70.9	33%	0.331	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-46.4	176.8	0	0	0	0	0	112.3	I533 M562 Q563 A569 L570	I533-A566 HydrophobicContact CD1-CB 3.87Å; M562-A566 WeakPolarHBondContact O-CB 3.41Å; M562-A566 PolarHBondContact O-N 2.93Å; Q563-A566 PolarHBondContact O-N 3.42Å; Q563-A566 VanDerWaalsContact O-N 3.15Å; A566-A569 PolarHBondContact O-N 3.06Å; A566-L570 WeakPolarHBondContact O-CB 3.5Å; A566-L570 PolarHBondContact O-N 3.16Å
567	D	66.2	Low	67.9	Low	106 Å²	106	71 Å²	71	57%	0.567	38%	0.377	S	S	*	.	H	α-helix	trans	-64.7	-44	-179.4	-70.9	-23.4	0	0	0	111.3	Q563 I564 A569 L570 E571	Q563-D567 WeakPolarHBondContact O-CB 3.36Å; Q563-D567 PolarHBondContact O-N 3.43Å; I564-D567 PolarHBondContact O-N 2.94Å; D567-A569 PolarHBondContact O-N 2.96Å; D567-L570 PolarHBondContact O-N 3.21Å; D567-E571 WeakPolarHBondContact O-CB 3.2Å; D567-E571 PolarHBondContact O-N 3.46Å
568	Q	74.8	Confident	68	Low	116 Å²	116	70 Å²	70	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-40.2	175.9	-76.1	175.6	-13.8	0	0	112.5	I564 T572	I564-Q568 HydrophobicContact CG2-CG 4.3Å; I564-Q568 VanDerWaalsContact O-CB 3.29Å; I564-Q568 WeakPolarHBondContact O-CB 3.46Å; I564-Q568 WeakPolarHBondContact O-CG 3.38Å; I564-Q568 PolarHBondContact O-N 3.09Å; Q568-T572 VanDerWaalsContact O-CB 3.31Å; Q568-T572 WeakPolarHBondContact O-CB 3.48Å; Q568-T572 PolarHBondContact O-N 3.1Å; Q568-T572 PolarHBondContact O-OG1 3.03Å
569	A	67.7	Low	68.3	Low	10 Å²	10	71.2 Å²	71.2	8%	0.083	39%	0.385	C	S	.	.	H	α-helix	trans	-66.7	-43.2	177.3	0	0	0	0	0	111.8	L526 A529 S565 A566 D567 T572 A573	L526-A569 HydrophobicContact CD2-CB 4.37Å; A529-A569 HydrophobicContact CB-CB 3.32Å; S565-A569 WeakPolarHBondContact O-CB 3.49Å; S565-A569 PolarHBondContact O-N 3.3Å; S565-A569 VanDerWaalsContact O-N 3.09Å; A566-A569 PolarHBondContact O-N 3.06Å; D567-A569 PolarHBondContact O-N 2.96Å; A569-T572 PolarHBondContact O-N 3.46Å; A569-A573 VanDerWaalsContact O-CB 3.28Å; A569-A573 WeakPolarHBondContact O-CB 3.39Å; A569-A573 PolarHBondContact O-N 3.34Å
570	L	67.6	Low	68.1	Low	115 Å²	115	68.1 Å²	68.1	60%	0.602	37%	0.37	S	S	*	.	H	α-helix	trans	-67.5	-40	177.2	-172.1	65.1	0	0	0	111.9	A566 D567 A573 S574	A566-L570 WeakPolarHBondContact O-CB 3.5Å; A566-L570 PolarHBondContact O-N 3.16Å; D567-L570 PolarHBondContact O-N 3.21Å; L570-A573 PolarHBondContact O-N 3.13Å; L570-S574 WeakPolarHBondContact O-CB 3.46Å; L570-S574 PolarHBondContact O-N 3.17Å
571	E	73.2	Confident	67.6	Low	103 Å²	103	69.2 Å²	69.2	48%	0.481	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-41.6	175.1	-165.3	-168.2	169	0	0	111.3	D567 S574 K575	D567-E571 WeakPolarHBondContact O-CB 3.2Å; D567-E571 PolarHBondContact O-N 3.46Å; E571-S574 PolarHBondContact O-N 3.27Å; E571-K575 VanDerWaalsContact CD-NZ 3.35Å; E571-K575 HydrophobicContact CG-CD 4.27Å; E571-K575 WeakPolarHBondContact O-CB 3.39Å; E571-K575 WeakPolarHBondContact O-CG 3.22Å; E571-K575 PolarHBondContact O-N 3.34Å; E571-K575 WeakPolarHBondContact OE1-CE 3.46Å; E571-K575 IonicContact OE1-NZ 3.04Å; E571-K575 PolarHBondContact OE1-NZ 3.03Å; E571-K575 IonicContact OE2-NZ 3.23Å
572	T	72.3	Confident	67	Low	54 Å²	54	72.7 Å²	72.7	33%	0.331	39%	0.387	S	S	.	.	H	α-helix	trans	-66.5	-44.6	177.1	-55.7	0	0	0	0	111.2	N525 Q568 A569 S574 K575 M576	N525-T572 WeakPolarHBondContact ND2-CG2 3.3Å; Q568-T572 VanDerWaalsContact O-CB 3.31Å; Q568-T572 WeakPolarHBondContact O-CB 3.48Å; Q568-T572 PolarHBondContact O-N 3.1Å; Q568-T572 PolarHBondContact O-OG1 3.03Å; A569-T572 PolarHBondContact O-N 3.46Å; T572-S574 VanDerWaalsContact C-N 3.35Å; T572-S574 PolarHBondContact O-N 2.86Å; T572-K575 PolarHBondContact O-N 3.11Å; T572-M576 HydrophobicContact CG2-CE 4.12Å; T572-M576 HydrophobicContact CG2-SD 4.36Å; T572-M576 WeakPolarHBondContact O-CB 3.5Å; T572-M576 WeakPolarHBondContact O-CG 3.31Å; T572-M576 PolarHBondContact O-N 2.76Å
573	A	68.6	Low	66.2	Low	4 Å²	4	79.4 Å²	79.4	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-58.7	-45.9	173.5	0	0	0	0	0	111.7	V522 L526 A569 L570 M576 L577	V522-A573 HydrophobicContact CG1-CB 3.84Å; L526-A573 HydrophobicContact CD1-CB 4.35Å; L526-A573 HydrophobicContact CD2-CB 4.23Å; L526-A573 HydrophobicContact CG-CB 4.27Å; A569-A573 VanDerWaalsContact O-CB 3.28Å; A569-A573 WeakPolarHBondContact O-CB 3.39Å; A569-A573 PolarHBondContact O-N 3.34Å; L570-A573 PolarHBondContact O-N 3.13Å; A573-M576 PolarHBondContact O-N 3.19Å; A573-L577 VanDerWaalsContact O-CG 3.31Å; A573-L577 WeakPolarHBondContact O-CG 3.48Å; A573-L577 PolarHBondContact O-N 3.18Å
574	S	67.1	Low	65.5	Low	58 Å²	58	80.4 Å²	80.4	41%	0.406	43%	0.431	S	S	.	.	H	α-helix	trans	-61.7	-47.3	177	-175.8	0	0	0	0	112.1	L570 E571 T572 M576 L577 M578	L570-S574 WeakPolarHBondContact O-CB 3.46Å; L570-S574 PolarHBondContact O-N 3.17Å; E571-S574 PolarHBondContact O-N 3.27Å; T572-S574 VanDerWaalsContact C-N 3.35Å; T572-S574 PolarHBondContact O-N 2.86Å; S574-M576 VanDerWaalsContact C-N 3.35Å; S574-M576 PolarHBondContact O-N 2.89Å; S574-L577 PolarHBondContact O-N 3.07Å; S574-M578 WeakPolarHBondContact O-CB 3.48Å; S574-M578 WeakPolarHBondContact O-CG 3.23Å; S574-M578 PolarHBondContact O-N 3.43Å
575	K	73.7	Confident	63.9	Low	126 Å²	126	85.7 Å²	85.7	55%	0.548	45%	0.445	S	S	.	.	H	α-helix	trans	-58.9	-43.7	176.2	-79	167.1	170.7	166.9	0	112.4	E571 T572 M578 A579	E571-K575 VanDerWaalsContact CD-NZ 3.35Å; E571-K575 HydrophobicContact CG-CD 4.27Å; E571-K575 WeakPolarHBondContact O-CB 3.39Å; E571-K575 WeakPolarHBondContact O-CG 3.22Å; E571-K575 PolarHBondContact O-N 3.34Å; E571-K575 WeakPolarHBondContact OE1-CE 3.46Å; E571-K575 IonicContact OE1-NZ 3.04Å; E571-K575 PolarHBondContact OE1-NZ 3.03Å; E571-K575 IonicContact OE2-NZ 3.23Å; T572-K575 PolarHBondContact O-N 3.11Å; K575-M578 PolarHBondContact O-N 3.03Å; K575-A579 PolarHBondContact O-N 3.45Å
576	M	69.8	Low	62.5	Low	58 Å²	58	94.3 Å²	94.3	29%	0.286	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-50	176.6	-76.5	-178.4	172	0	0	111.7	T518 T521 V522 N525 T572 A573 S574 M578 A579 D580	T518-M576 HydrophobicContact CG2-CB 3.74Å; T518-M576 WeakPolarHBondContact CG2-O 3.29Å; T521-M576 PolarHBondContact OG1-SD 3.38Å; T521-M576 VanDerWaalsContact OG1-SD 3.41Å; V522-M576 HydrophobicContact CG2-CB 3.63Å; V522-M576 HydrophobicContact CG2-SD 4.2Å; N525-M576 WeakPolarHBondContact ND2-CE 3.48Å; N525-M576 PolarHBondContact ND2-SD 3.41Å; T572-M576 HydrophobicContact CG2-CE 4.12Å; T572-M576 HydrophobicContact CG2-SD 4.36Å; T572-M576 WeakPolarHBondContact O-CB 3.5Å; T572-M576 WeakPolarHBondContact O-CG 3.31Å; T572-M576 PolarHBondContact O-N 2.76Å; A573-M576 PolarHBondContact O-N 3.19Å; S574-M576 VanDerWaalsContact C-N 3.35Å; S574-M576 PolarHBondContact O-N 2.89Å; M576-M578 VanDerWaalsContact C-N 3.29Å; M576-M578 PolarHBondContact O-N 3.24Å; M576-A579 PolarHBondContact O-N 3.39Å; M576-D580 PolarHBondContact O-N 3.43Å
577	L	67.6	Low	62.4	Low	71 Å²	71	97.1 Å²	97.1	37%	0.372	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-34	176.8	-68.3	169.8	0	0	0	112.9	V522 A573 S574 V581	V522-L577 HydrophobicContact CG2-CD2 4.27Å; V522-L577 HydrophobicContact CG2-CG 4.06Å; A573-L577 VanDerWaalsContact O-CG 3.31Å; A573-L577 WeakPolarHBondContact O-CG 3.48Å; A573-L577 PolarHBondContact O-N 3.18Å; S574-L577 PolarHBondContact O-N 3.07Å; L577-V581 VanDerWaalsContact O-CG2 3.27Å; L577-V581 WeakPolarHBondContact O-CG2 3.3Å; L577-V581 PolarHBondContact O-N 3.11Å
578	M	67	Low	62.2	Low	110 Å²	110	96.6 Å²	96.6	54%	0.542	51%	0.506	S	S	.	.	H	α-helix	trans	-74	-30.5	178.2	-71.4	-71.9	164.1	0	0	113.1	S574 K575 M576 V581 Q582	S574-M578 WeakPolarHBondContact O-CB 3.48Å; S574-M578 WeakPolarHBondContact O-CG 3.23Å; S574-M578 PolarHBondContact O-N 3.43Å; K575-M578 PolarHBondContact O-N 3.03Å; M576-M578 VanDerWaalsContact C-N 3.29Å; M576-M578 PolarHBondContact O-N 3.24Å; M578-V581 PolarHBondContact O-N 3.39Å; M578-Q582 WeakPolarHBondContact O-CG 3.24Å; M578-Q582 PolarHBondContact O-N 3.36Å; M578-Q582 VanDerWaalsContact O-N 3.15Å
579	A	67.2	Low	61.5	Low	50 Å²	50	95.5 Å²	95.5	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-48.9	174.2	0	0	0	0	0	111	K575 M576 V581 Q582 E583	K575-A579 PolarHBondContact O-N 3.45Å; M576-A579 PolarHBondContact O-N 3.39Å; A579-V581 VanDerWaalsContact C-N 3.29Å; A579-V581 PolarHBondContact O-N 3.49Å; A579-Q582 PolarHBondContact O-N 3.47Å; A579-E583 PolarHBondContact O-N 2.95Å; A579-E583 VanDerWaalsContact O-N 3.17Å
580	D	56.6	Low	61.1	Low	26 Å²	26	100.5 Å²	100.5	14%	0.139	53%	0.529	C	S	.	.	H	α-helix	trans	-56.9	-40.8	174.2	-80.9	28	0	0	0	112.2	F515 T518 M576 Q582 E583 V584	F515-D580 HydrophobicContact CE2-CB 4.22Å; T518-D580 VanDerWaalsContact CB-CG 3.48Å; T518-D580 VanDerWaalsContact CB-OD1 3.27Å; T518-D580 WeakPolarHBondContact CB-OD1 3.38Å; T518-D580 WeakPolarHBondContact CB-OD2 3.41Å; T518-D580 VanDerWaalsContact CG2-OD1 3.27Å; T518-D580 WeakPolarHBondContact CG2-OD1 3.34Å; T518-D580 VanDerWaalsContact OG1-CG 3.23Å; T518-D580 PolarHBondContact OG1-OD1 2.97Å; T518-D580 PolarHBondContact OG1-OD2 2.94Å; T518-D580 VanDerWaalsContact OG1-OD2 3.08Å; M576-D580 PolarHBondContact O-N 3.43Å; D580-Q582 PolarHBondContact O-N 3.16Å; D580-E583 PolarHBondContact O-N 2.81Å; D580-V584 VanDerWaalsContact O-CG2 3.31Å; D580-V584 WeakPolarHBondContact O-CG2 3.42Å; D580-V584 PolarHBondContact O-N 2.97Å
581	V	57.6	Low	60.7	Low	84 Å²	84	99.6 Å²	99.6	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-69.5	-20.6	178	170.5	0	0	0	0	112.6	L577 M578 A579	L577-V581 VanDerWaalsContact O-CG2 3.27Å; L577-V581 WeakPolarHBondContact O-CG2 3.3Å; L577-V581 PolarHBondContact O-N 3.11Å; M578-V581 PolarHBondContact O-N 3.39Å; A579-V581 VanDerWaalsContact C-N 3.29Å; A579-V581 PolarHBondContact O-N 3.49Å
582	Q	54	Low	59.9	Low	150 Å²	150	99.4 Å²	99.4	70%	0.701	53%	0.527	S	S	*	.	H	α-helix	trans	-84.9	-35.1	176.3	-76.7	-178.5	-10.8	0	0	113.1	M578 A579 D580 V584 R585	M578-Q582 WeakPolarHBondContact O-CG 3.24Å; M578-Q582 PolarHBondContact O-N 3.36Å; M578-Q582 VanDerWaalsContact O-N 3.15Å; A579-Q582 PolarHBondContact O-N 3.47Å; D580-Q582 PolarHBondContact O-N 3.16Å; Q582-V584 PolarHBondContact O-N 3.26Å; Q582-R585 PolarHBondContact O-N 3.39Å
583	E	51.5	Low	59	Low	176 Å²	176	102.6 Å²	102.6	82%	0.822	54%	0.541	S	S	*	.	H	α-helix	trans	-69.8	-16.7	173.3	-71.6	-163.9	155.9	0	0	113.6	A579 D580 R585	A579-E583 PolarHBondContact O-N 2.95Å; A579-E583 VanDerWaalsContact O-N 3.17Å; D580-E583 PolarHBondContact O-N 2.81Å; E583-R585 VanDerWaalsContact C-N 3.3Å; E583-R585 PolarHBondContact O-N 3.35Å
584	V	48.9	Very low	58.2	Low	122 Å²	122	110.2 Å²	110.2	74%	0.739	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	6.8	179.5	176.9	0	0	0	0	112.9	D580 Q582	D580-V584 VanDerWaalsContact O-CG2 3.31Å; D580-V584 WeakPolarHBondContact O-CG2 3.42Å; D580-V584 PolarHBondContact O-N 2.97Å; Q582-V584 PolarHBondContact O-N 3.26Å
585	R	37.8	Very low	57.5	Low	200 Å²	200	114.6 Å²	114.6	76%	0.755	60%	0.595	S	S	*	*			trans	-95.8	138.7	165.8	-68.5	-169.7	-173.4	-171.4	3.3	110.5	Q582 E583	Q582-R585 PolarHBondContact O-N 3.39Å; E583-R585 VanDerWaalsContact C-N 3.3Å; E583-R585 PolarHBondContact O-N 3.35Å
586	P	38.3	Very low	56	Low	202 Å²	202	113.5 Å²	113.5	100%	1.312	60%	0.599	S	S	*	*			trans	-70.1	0	-173.6	31.9	-38	0	0	0	113.8

Retrieved 586 of 586 residues in 182.2 ms (Link to these results)

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