A0A3Q0KVD3_SCHMA Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KVD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 647 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	31.3	Very low	256 Å²	256	142.7 Å²	142.7	100%	1.261	83%	0.825	S	S	*	*				0	133.5	0	-69.1	175.1	174.7	0	0	107.5
2	G	35	Very low	31.6	Very low	74 Å²	74	136 Å²	136	76%	0.763	78%	0.784	S	S	*	*			trans	129.3	83.5	179.1	0	0	0	0	0	113.6
3	N	28.4	Very low	31.9	Very low	172 Å²	172	126.9 Å²	126.9	92%	0.92	73%	0.733	S	S	*	*			trans	-67.5	133.9	163.2	-85.8	-4.3	0	0	0	109
4	S	32.7	Very low	32.4	Very low	113 Å²	113	120.1 Å²	120.1	79%	0.79	69%	0.69	S	S	*	*			trans	-136.3	125	161.9	50.1	0	0	0	0	109.3	S6	S4-S6 PolarHBondContact O-N 2.7Å
5	N	28.6	Very low	32.6	Very low	161 Å²	161	113.4 Å²	113.4	86%	0.861	65%	0.65	S	S	*	*			trans	-73	119.1	-174.8	-70	-27.1	0	0	0	110.6	S7	N5-S7 PolarHBondContact O-N 2.77Å
6	S	28.7	Very low	32.6	Very low	109 Å²	109	110.2 Å²	110.2	76%	0.762	63%	0.633	S	S	*	*			trans	-76.3	106.1	164.7	56.8	0	0	0	0	110	S4 N8	S4-S6 PolarHBondContact O-N 2.7Å; S6-N8 PolarHBondContact O-N 3.14Å
7	S	30.1	Very low	32.7	Very low	99 Å²	99	105 Å²	105	69%	0.692	60%	0.604	S	S	*	*			trans	-76.5	114.3	170.5	35.8	0	0	0	0	110.3	N5 N9	N5-S7 PolarHBondContact O-N 2.77Å; S7-N9 PolarHBondContact O-N 3.45Å
8	N	31.8	Very low	32.7	Very low	149 Å²	149	104.2 Å²	104.2	80%	0.797	60%	0.601	S	S	*	*			trans	-61.7	125.8	171.6	-77	-12.7	0	0	0	109.8	S6	S6-N8 PolarHBondContact O-N 3.14Å
9	N	31.1	Very low	32.7	Very low	148 Å²	148	104.5 Å²	104.5	79%	0.791	61%	0.607	S	S	*	*			trans	-117.9	29.2	-170.7	-121.6	-11	0	0	0	112.8	S7 Q11	S7-N9 PolarHBondContact O-N 3.45Å; N9-Q11 PolarHBondContact O-N 3.04Å
10	D	35.1	Very low	32.9	Very low	128 Å²	128	105.5 Å²	105.5	68%	0.684	61%	0.61	S	S	*	*			trans	-87.9	78.6	176.4	-71.5	-47	0	0	0	111.3
11	Q	30.4	Very low	32.8	Very low	161 Å²	161	108.4 Å²	108.4	75%	0.752	62%	0.623	S	S	*	*			trans	-118.7	39.9	172.2	-72.2	-164.7	-12.3	0	0	112.8	N9	N9-Q11 PolarHBondContact O-N 3.04Å
12	N	35.9	Very low	32.8	Very low	62 Å²	62	101.2 Å²	101.2	33%	0.332	61%	0.605	S	S	.	*			trans	-114	17.7	-179.3	-103.2	31.5	0	0	0	113.8	R470 R503	N12-R470 PolarHBondContact O-NE 3.25Å; N12-R503 PolarHBondContact ND2-O 3.14Å
13	S	34.4	Very low	32.5	Very low	18 Å²	18	103 Å²	103	13%	0.126	61%	0.605	C	S	.	*			trans	-84.2	136.1	172.5	60.6	0	0	0	0	111.7	I15 T16	S13-I15 VanDerWaalsContact C-N 3.33Å; S13-T16 WeakPolarHBondContact OG-CG2 3.28Å; S13-T16 PolarHBondContact OG-OG1 2.83Å
14	W	40	Very low	32.6	Very low	32 Å²	32	99.3 Å²	99.3	12%	0.121	60%	0.599	C	S	.	*	S	Bend	trans	-73.6	-27	169.5	-73.8	99.9	0	0	0	112.9	Q356 F357 D484 L487	W14-Q356 HydrophobicContact CH2-CB 3.5Å; W14-Q356 HydrophobicContact CH2-CG 4.36Å; W14-Q356 HydrophobicContact CZ2-CB 4.39Å; W14-Q356 HydrophobicContact CZ3-CB 3.57Å; W14-F357 HydrophobicContact CE3-CD2 4.22Å; W14-F357 HydrophobicContact CE3-CE2 4.42Å; W14-F357 AromaticContact CH2-CD2 3.67Å; W14-F357 HydrophobicContact CH2-CD2 3.67Å; W14-F357 HydrophobicContact CH2-CE1 4.48Å; W14-F357 AromaticContact CH2-CE2 3.25Å; W14-F357 HydrophobicContact CH2-CE2 3.25Å; W14-F357 HydrophobicContact CH2-CG 4.4Å; W14-F357 AromaticContact CH2-CZ 3.73Å; W14-F357 HydrophobicContact CH2-CZ 3.73Å; W14-F357 HydrophobicContact CZ2-CE2 4.29Å; W14-F357 AromaticContact CZ3-CD2 3.23Å; W14-F357 HydrophobicContact CZ3-CD2 3.23Å; W14-F357 AromaticContact CZ3-CE2 3.34Å; W14-F357 HydrophobicContact CZ3-CE2 3.34Å; W14-F357 AromaticContact CZ3-CG 3.97Å; W14-F357 HydrophobicContact CZ3-CG 3.97Å; W14-F357 HydrophobicContact CZ3-CZ 4.19Å; W14-D484 HydrophobicContact CB-CB 4.23Å; W14-D484 WeakPolarHBondContact CB-OD1 3.31Å; W14-D484 WeakPolarHBondContact CB-OD2 3.42Å; W14-D484 HydrophobicContact CG-CB 4.19Å; W14-L487 HydrophobicContact CD2-CD1 3.79Å; W14-L487 HydrophobicContact CE3-CD1 3.86Å; W14-L487 HydrophobicContact CG-CD1 4.32Å; W14-L487 HydrophobicContact CH2-CD1 4.25Å; W14-L487 HydrophobicContact CZ2-CB 4.46Å; W14-L487 HydrophobicContact CZ2-CD1 4.22Å; W14-L487 HydrophobicContact CZ3-CD1 4.09Å
15	I	35.4	Very low	32.5	Very low	19 Å²	19	100.2 Å²	100.2	10%	0.097	60%	0.602	C	S	.	*			trans	-139.1	104.3	170.3	-43.6	-173.8	0	0	0	109.9	S13 V17 V360 L473	S13-I15 VanDerWaalsContact C-N 3.33Å; I15-V17 HydrophobicContact CG2-CG2 3.62Å; I15-V360 HydrophobicContact CD1-CG1 4.49Å; I15-V360 HydrophobicContact CD1-CG2 4.46Å; I15-V360 HydrophobicContact CG1-CG2 4.19Å; I15-L473 HydrophobicContact CD1-CD1 4.13Å; I15-L473 HydrophobicContact CD1-CD2 4.31Å
16	T	32.3	Very low	32.6	Very low	62 Å²	62	101 Å²	101	38%	0.38	60%	0.602	S	S	.	*			trans	-92	95.4	161.7	2.3	0	0	0	0	108.8	S13 T18 I352	S13-T16 WeakPolarHBondContact OG-CG2 3.28Å; S13-T16 PolarHBondContact OG-OG1 2.83Å; T16-T18 PolarHBondContact O-N 3.06Å; T16-I352 CarbonylContact C-O 3.56Å; T16-I352 VanDerWaalsContact O-O 3.13Å
17	V	34.1	Very low	32.8	Very low	22 Å²	22	105.4 Å²	105.4	13%	0.133	61%	0.608	C	S	.	*			trans	-76.2	107.1	168.8	-173	0	0	0	0	108.3	I15 P19 I352 N428	I15-V17 HydrophobicContact CG2-CG2 3.62Å; V17-P19 WeakPolarHBondContact O-CD 3.47Å; V17-I352 WeakPolarHBondContact CA-O 3.4Å; V17-I352 HydrophobicContact CG1-CB 4.45Å; V17-I352 HydrophobicContact CG2-CB 4.49Å; V17-I352 WeakPolarHBondContact CG2-O 3.28Å; V17-I352 PolarHBondContact N-O 3.21Å; V17-N428 PolarHBondContact O-ND2 2.87Å
18	T	32.3	Very low	32.9	Very low	90 Å²	90	109.3 Å²	109.3	55%	0.552	62%	0.616	S	S	*	*			trans	-65.1	124	168.3	48	0	0	0	0	109	T16 N20	T16-T18 PolarHBondContact O-N 3.06Å; T18-N20 PolarHBondContact O-N 2.88Å
19	P	32.9	Very low	32.9	Very low	111 Å²	111	107.8 Å²	107.8	72%	0.721	61%	0.614	S	S	*	*			trans	-64.6	120.5	172.5	-16.2	29.9	0	0	0	109.4	V17	V17-P19 WeakPolarHBondContact O-CD 3.47Å
20	N	37.9	Very low	33	Very low	124 Å²	124	106.1 Å²	106.1	66%	0.663	61%	0.614	S	S	*	*			trans	-110.9	139.9	162.2	-86.7	-16.3	0	0	0	107.6	T18 A22	T18-N20 PolarHBondContact O-N 2.88Å; N20-A22 PolarHBondContact O-N 3.42Å
21	D	30.3	Very low	32.6	Very low	166 Å²	166	107.8 Å²	107.8	89%	0.888	62%	0.622	S	S	*	*			trans	-57.1	123.4	-172.1	-65.9	-58.3	0	0	0	113.2
22	A	30.3	Very low	32.6	Very low	105 Å²	105	111.6 Å²	111.6	87%	0.868	63%	0.629	S	S	*	*			trans	-100.1	88.1	179.7	0	0	0	0	0	111.2	N20	N20-A22 PolarHBondContact O-N 3.42Å
23	S	29.9	Very low	32.2	Very low	112 Å²	112	113.4 Å²	113.4	78%	0.783	65%	0.647	S	S	*	*			trans	-152.5	75.7	170.6	53.3	0	0	0	0	114.3
24	A	29.6	Very low	32	Very low	95 Å²	95	118.7 Å²	118.7	79%	0.785	68%	0.679	S	S	*	*			trans	-165.6	129.1	154.3	0	0	0	0	0	111.9
25	P	31.1	Very low	31.6	Very low	131 Å²	131	123.2 Å²	123.2	85%	0.851	71%	0.709	S	S	*	*			trans	-79.6	159.6	166.9	33.1	-33	0	0	0	112
26	M	29.9	Very low	31.2	Very low	177 Å²	177	130.4 Å²	130.4	87%	0.872	74%	0.743	S	S	*	*			trans	-70.9	147.4	-176.1	-57.2	-166.3	-59.4	0	0	114
27	F	34.3	Very low	31.1	Very low	202 Å²	202	139.2 Å²	139.2	89%	0.886	77%	0.769	S	S	*	*			trans	-162.2	125.8	134.8	-106.8	-73	0	0	0	113
28	E	31.5	Very low	30.8	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	81%	0.807	S	S	*	*			trans	48.4	157.4	159.5	-77.2	-164.6	144.1	0	0	126.1
29	P	31.9	Very low	30.9	Very low	117 Å²	117	150.8 Å²	150.8	76%	0.76	81%	0.814	S	S	*	*			trans	-122.3	148.4	-170.1	40.1	-24.7	0	0	0	116.5
30	S	33.1	Very low	30.9	Very low	113 Å²	113	153.5 Å²	153.5	79%	0.79	82%	0.821	S	S	*	*			trans	-157.3	120.6	156.7	67.3	0	0	0	0	116
31	L	27.4	Very low	30.6	Very low	164 Å²	164	156.6 Å²	156.6	86%	0.859	83%	0.829	S	S	*	*			trans	8.5	120.3	146.6	-62.3	160.7	0	0	0	119.8
32	R	31	Very low	30.9	Very low	240 Å²	240	154.4 Å²	154.4	91%	0.906	82%	0.824	S	S	*	*				178.4	144.2	101.1	-94.7	177.4	-176.2	-179.5	1.8	114.3
33	S	27.2	Very low	30.9	Very low	101 Å²	101	154.3 Å²	154.3	71%	0.706	82%	0.816	S	S	*	*			trans	-43.3	154.6	170.4	51	0	0	0	0	118.5
34	V	29.8	Very low	31.2	Very low	129 Å²	129	158.5 Å²	158.5	78%	0.782	82%	0.82	S	S	*	*				170.4	130.6	110.9	150.8	0	0	0	0	114.2
35	V	31.4	Very low	31.4	Very low	127 Å²	127	161.4 Å²	161.4	77%	0.77	82%	0.823	S	S	*	*			trans	75.3	132.3	152.7	166.9	0	0	0	0	123.7
36	E	26.9	Very low	31.6	Very low	170 Å²	170	159.9 Å²	159.9	79%	0.794	82%	0.816	S	S	*	*			trans	-66.5	163.5	178.2	-49.9	159.4	119.4	0	0	116.1
37	R	30.4	Very low	31.8	Very low	246 Å²	246	158.4 Å²	158.4	93%	0.928	81%	0.81	S	S	*	*				-162.2	153.1	114.2	-102	163.6	-163.9	-140.2	3	112.2
38	R	28.3	Very low	31.9	Very low	246 Å²	246	155.6 Å²	155.6	93%	0.928	81%	0.805	S	S	*	*			trans	-115.9	174.3	-170.8	-105.5	-161.6	-176.5	-170.6	4.4	112.2
39	P	34.8	Very low	31.9	Very low	109 Å²	109	154.4 Å²	154.4	71%	0.708	80%	0.804	S	S	*	*			trans	-102.1	179.8	-148.1	41.6	-40.3	0	0	0	115.8
40	I	32.4	Very low	32	Very low	169 Å²	169	152.3 Å²	152.3	87%	0.867	80%	0.803	S	S	*	*			trans	-135.4	125.2	173.6	-63.4	-179.7	0	0	0	111.2
41	F	31.3	Very low	32	Very low	189 Å²	189	156.1 Å²	156.1	83%	0.829	81%	0.809	S	S	*	*			trans	-88	168.7	162.8	-92.2	-78.8	0	0	0	109.1
42	P	36	Very low	32.3	Very low	120 Å²	120	152.8 Å²	152.8	78%	0.779	81%	0.805	S	S	*	*				-158.9	-165.1	50.1	43.7	-18.7	0	0	0	118.9
43	S	31	Very low	32.4	Very low	102 Å²	102	145.7 Å²	145.7	71%	0.713	79%	0.792	S	S	*	*			trans	-74.1	163.7	-173.5	54.9	0	0	0	0	119.4
44	K	36.8	Very low	32.6	Very low	200 Å²	200	148 Å²	148	87%	0.87	80%	0.797	S	S	*	*			trans	-160.3	116.8	140.9	-98.8	164.5	-174.2	-179.6	0	108.3
45	N	33.8	Very low	32.8	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	79%	0.793	S	S	*	*				76.7	119.9	80.1	-93	10.8	0	0	0	116.8
46	S	35.7	Very low	32.9	Very low	100 Å²	100	148.9 Å²	148.9	70%	0.699	80%	0.797	S	S	*	*				134.9	112	127.9	-167.8	0	0	0	0	117
47	L	33.1	Very low	33	Very low	146 Å²	146	148.5 Å²	148.5	76%	0.764	80%	0.799	S	S	*	*			trans	30.7	137	134.7	-61.8	133.9	0	0	0	119.7
48	N	35.7	Very low	33.4	Very low	143 Å²	143	142 Å²	142	77%	0.765	79%	0.789	S	S	*	*				-170.1	-179.3	63.2	-127.9	-20	0	0	0	115.9
49	N	32.5	Very low	33.4	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	79%	0.785	S	S	*	*			trans	-85.3	169.3	-165.2	-64.2	-47.2	0	0	0	118.9
50	G	34.4	Very low	33.2	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	79%	0.786	S	S	*	*			trans	144.7	92.8	159.7	0	0	0	0	0	112.2
51	Q	31.7	Very low	33.2	Very low	194 Å²	194	134.2 Å²	134.2	91%	0.907	79%	0.786	S	S	*	*			cis	84.1	127.7	49.2	-146.9	-175.9	21.5	0	0	114.8
52	A	34.1	Very low	33.1	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	78%	0.78	S	S	*	*			trans	71.4	149.3	166	0	0	0	0	0	118.8
53	S	32.6	Very low	33.2	Very low	90 Å²	90	129.2 Å²	129.2	63%	0.629	78%	0.78	S	S	*	*			cis	-177.1	160.9	-17.2	52.6	0	0	0	0	111.2
54	N	32.3	Very low	33.3	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	79%	0.786	S	S	*	*			trans	72.3	150	155.8	-60	-16.5	0	0	0	117.7
55	S	33.9	Very low	33.2	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	78%	0.775	S	S	*	*			cis	-168.4	157.8	2.8	32.9	0	0	0	0	114
56	M	32.6	Very low	33	Very low	175 Å²	175	124.1 Å²	124.1	86%	0.862	77%	0.769	S	S	*	*			trans	64.1	115.9	151.7	-69.8	169.1	154.2	0	0	120
57	L	30.8	Very low	32.8	Very low	162 Å²	162	129 Å²	129	85%	0.848	78%	0.781	S	S	*	*				57.4	151.6	55.4	-65.8	176.7	0	0	0	115.9
58	P	37	Very low	32.6	Very low	109 Å²	109	126.9 Å²	126.9	71%	0.708	78%	0.779	S	S	*	*			cis	-147.2	-171.7	-47.3	43	-25.2	0	0	0	114.8
59	A	28.8	Very low	32.4	Very low	101 Å²	101	129.7 Å²	129.7	84%	0.835	78%	0.784	S	S	*	*			trans	66.6	160.3	159.8	0	0	0	0	0	117.2
60	A	30.3	Very low	32.1	Very low	90 Å²	90	129.6 Å²	129.6	74%	0.744	78%	0.784	S	S	*	*			cis	-142.9	-165.6	-0.8	0	0	0	0	0	108.4
61	I	32.8	Very low	31.9	Very low	170 Å²	170	135 Å²	135	87%	0.872	79%	0.789	S	S	*	*			cis	-149.5	-158.5	3.7	-146.9	158.7	0	0	0	109.2
62	A	30.1	Very low	31.8	Very low	83 Å²	83	133 Å²	133	69%	0.686	78%	0.784	S	S	*	*			trans	-134.1	-149.2	-177.7	0	0	0	0	0	113.3
63	P	38.1	Very low	31.4	Very low	120 Å²	120	140 Å²	140	78%	0.779	79%	0.79	S	S	*	*				-130.5	168.7	-87.9	39	-23.6	0	0	0	116.1
64	D	32.6	Very low	31.3	Very low	159 Å²	159	145.8 Å²	145.8	85%	0.85	80%	0.799	S	S	*	*			trans	174.2	164.4	144.5	-112.7	-24.3	0	0	0	109.7
65	S	33.9	Very low	31	Very low	90 Å²	90	146.5 Å²	146.5	63%	0.629	80%	0.798	S	S	*	*			cis	-156.2	149.9	-9	47.2	0	0	0	0	110
66	S	29.5	Very low	31	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	81%	0.805	S	S	*	*			trans	29.8	118.9	156.5	61.7	0	0	0	0	122.2
67	Q	32.3	Very low	30.9	Very low	202 Å²	202	144.7 Å²	144.7	94%	0.944	80%	0.798	S	S	*	*				-159.6	142.8	118	-109.4	170.7	42.5	0	0	111.7
68	S	27.7	Very low	30.9	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	79%	0.792	S	S	*	*			trans	-97.7	131.9	-167.6	51.7	0	0	0	0	113.2
69	F	32.5	Very low	30.9	Very low	201 Å²	201	142.9 Å²	142.9	88%	0.882	80%	0.797	S	S	*	*			trans	-152.6	154.7	152.1	-94.3	-69.8	0	0	0	111
70	D	27.1	Very low	31.5	Very low	154 Å²	154	144 Å²	144	82%	0.824	79%	0.789	S	S	*	*			trans	-65	127.1	-155.4	-60.7	-77.9	0	0	0	116.5
71	Q	29.7	Very low	31.9	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.864	77%	0.773	S	S	*	*			trans	-105.9	117.5	164.2	-77.7	-169.3	-4.5	0	0	111.6	R73	Q71-R73 PolarHBondContact O-N 3.07Å
72	I	29.1	Very low	32.2	Very low	154 Å²	154	139.8 Å²	139.8	79%	0.79	75%	0.751	S	S	*	*			trans	-68.3	98.7	166.9	-60.9	175.1	0	0	0	108.6	Y74	I72-Y74 HydrophobicContact CG2-CD2 4.39Å; I72-Y74 HydrophobicContact CG2-CE2 4.39Å; I72-Y74 PolarHBondContact O-N 2.92Å; I72-Y74 VanDerWaalsContact O-N 3.15Å
73	R	26.6	Very low	32.9	Very low	239 Å²	239	138.7 Å²	138.7	90%	0.902	74%	0.739	S	S	*	*			trans	-62	110	172.9	-103	-177.8	178.8	172.7	1.2	110.7	Q71	Q71-R73 PolarHBondContact O-N 3.07Å
74	Y	30.5	Very low	33.3	Very low	212 Å²	212	136.5 Å²	136.5	83%	0.831	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-85.8	121.6	158.2	-97.6	-90.9	0	0	0	109.6	I72	I72-Y74 HydrophobicContact CG2-CD2 4.39Å; I72-Y74 HydrophobicContact CG2-CE2 4.39Å; I72-Y74 PolarHBondContact O-N 2.92Å; I72-Y74 VanDerWaalsContact O-N 3.15Å
75	Q	26.2	Very low	33.9	Very low	166 Å²	166	129 Å²	129	78%	0.776	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-70.4	141.1	176.2	-71.3	176.7	-35.3	0	0	111.4	C77	Q75-C77 PolarHBondContact O-N 2.9Å
76	P	32.3	Very low	34.8	Very low	129 Å²	129	126.9 Å²	126.9	84%	0.838	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-74.9	120.7	166.1	30.8	-31.2	0	0	0	109.7
77	C	31	Very low	35.8	Very low	108 Å²	108	128 Å²	128	73%	0.73	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-89.4	143.1	175.8	-78.5	0	0	0	0	112.4	Q75	Q75-C77 PolarHBondContact O-N 2.9Å
78	N	31.9	Very low	36.6	Very low	134 Å²	134	123.9 Å²	123.9	72%	0.717	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-51.9	154.3	-171.9	-80.7	-42.5	0	0	0	116.5	N80 Y81	N78-N80 PolarHBondContact O-N 3.34Å; N78-Y81 PolarHBondContact O-N 2.85Å
79	A	36.7	Very low	37.6	Very low	98 Å²	98	121 Å²	121	81%	0.81	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-0.1	176.9	0	0	0	0	0	116.1	Y81	A79-Y81 PolarHBondContact O-N 3.09Å
80	N	40.8	Very low	38.4	Very low	124 Å²	124	117.1 Å²	117.1	66%	0.663	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-9.5	175.7	-67.4	-8.9	0	0	0	113.3	N78 V82 S83	N78-N80 PolarHBondContact O-N 3.34Å; N80-V82 PolarHBondContact O-N 3.18Å; N80-S83 WeakPolarHBondContact O-CB 3.26Å; N80-S83 PolarHBondContact O-N 2.82Å; N80-S83 VanDerWaalsContact O-N 3.13Å
81	Y	38.6	Very low	39.1	Very low	103 Å²	103	112.4 Å²	112.4	40%	0.404	59%	0.585	S	S	.	*	H	α-helix	trans	-59.3	-22.3	-171.5	-154	-99.7	0	0	0	114.8	N78 A79 D84 V85	N78-Y81 PolarHBondContact O-N 2.85Å; A79-Y81 PolarHBondContact O-N 3.09Å; Y81-D84 PolarHBondContact O-N 3.15Å; Y81-V85 HydrophobicContact CD1-CG2 3.43Å; Y81-V85 VanDerWaalsContact CD1-CG2 3.43Å; Y81-V85 HydrophobicContact CE1-CG2 3.47Å; Y81-V85 VanDerWaalsContact CE1-CG2 3.47Å; Y81-V85 HydrophobicContact CG-CG2 4.48Å; Y81-V85 WeakPolarHBondContact O-CB 3.49Å; Y81-V85 WeakPolarHBondContact O-CG2 3.47Å; Y81-V85 PolarHBondContact O-N 3.24Å
82	V	40.1	Very low	39.7	Very low	69 Å²	69	106.3 Å²	106.3	42%	0.418	57%	0.566	S	S	.	*	H	α-helix	trans	-67.3	-37.6	178.6	-169.5	0	0	0	0	111.7	N80 D84 V86 A384	N80-V82 PolarHBondContact O-N 3.18Å; V82-D84 VanDerWaalsContact C-N 3.34Å; V82-V86 WeakPolarHBondContact O-CG2 3.35Å; V82-V86 PolarHBondContact O-N 3.36Å; V82-V86 VanDerWaalsContact O-N 3.08Å; V82-A384 HydrophobicContact CG1-CB 4.29Å; V82-A384 HydrophobicContact CG2-CB 3.61Å
83	S	44.5	Very low	40	Very low	61 Å²	61	107.3 Å²	107.3	43%	0.427	57%	0.565	S	S	.	*	H	α-helix	trans	-58.9	-48.8	171.5	167.8	0	0	0	0	110.2	N80 V85 V86 Q87	N80-S83 WeakPolarHBondContact O-CB 3.26Å; N80-S83 PolarHBondContact O-N 2.82Å; N80-S83 VanDerWaalsContact O-N 3.13Å; S83-V85 PolarHBondContact O-N 3.05Å; S83-V86 PolarHBondContact O-N 2.87Å; S83-Q87 WeakPolarHBondContact O-CB 3.35Å; S83-Q87 WeakPolarHBondContact O-CG 3.4Å; S83-Q87 PolarHBondContact O-N 3.37Å; S83-Q87 PolarHBondContact OG-NE2 2.96Å
84	D	45.4	Very low	40.3	Very low	73 Å²	73	107.7 Å²	107.7	39%	0.39	57%	0.566	S	S	.	*	H	α-helix	trans	-70.6	-33.3	-175	-58.9	-20.4	0	0	0	112.1	Y81 V82 Q87 Q88	Y81-D84 PolarHBondContact O-N 3.15Å; V82-D84 VanDerWaalsContact C-N 3.34Å; D84-Q87 PolarHBondContact O-N 3.39Å; D84-Q88 WeakPolarHBondContact O-CB 3.25Å; D84-Q88 VanDerWaalsContact O-CG 3.27Å; D84-Q88 WeakPolarHBondContact O-CG 3.39Å; D84-Q88 PolarHBondContact O-N 3.39Å
85	V	46	Very low	40.4	Very low	3 Å²	3	103.9 Å²	103.9	2%	0.018	57%	0.565	C	S	.	*	H	α-helix	trans	-62.3	-47.8	171	164	0	0	0	0	110.9	Y81 S83 Q88 I89 L387	Y81-V85 HydrophobicContact CD1-CG2 3.43Å; Y81-V85 VanDerWaalsContact CD1-CG2 3.43Å; Y81-V85 HydrophobicContact CE1-CG2 3.47Å; Y81-V85 VanDerWaalsContact CE1-CG2 3.47Å; Y81-V85 HydrophobicContact CG-CG2 4.48Å; Y81-V85 WeakPolarHBondContact O-CB 3.49Å; Y81-V85 WeakPolarHBondContact O-CG2 3.47Å; Y81-V85 PolarHBondContact O-N 3.24Å; S83-V85 PolarHBondContact O-N 3.05Å; V85-Q88 PolarHBondContact O-N 2.77Å; V85-I89 HydrophobicContact CG1-CD1 4.14Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.08Å; V85-I89 PolarHBondContact O-N 2.91Å; V85-L387 HydrophobicContact CG1-CB 3.74Å; V85-L387 HydrophobicContact CG1-CD1 4.15Å
86	V	51.6	Low	40.7	Very low	45 Å²	45	103.3 Å²	103.3	27%	0.273	57%	0.567	S	S	.	*	H	α-helix	trans	-66.4	-37.4	176.9	171.9	0	0	0	0	111.2	V82 S83 I89 K90 L387	V82-V86 WeakPolarHBondContact O-CG2 3.35Å; V82-V86 PolarHBondContact O-N 3.36Å; V82-V86 VanDerWaalsContact O-N 3.08Å; S83-V86 PolarHBondContact O-N 2.87Å; V86-I89 PolarHBondContact O-N 2.89Å; V86-K90 HydrophobicContact CG1-CD 3.88Å; V86-K90 WeakPolarHBondContact O-CB 3.35Å; V86-K90 VanDerWaalsContact O-CG 3.32Å; V86-K90 WeakPolarHBondContact O-CG 3.45Å; V86-K90 PolarHBondContact O-N 2.82Å; V86-L387 HydrophobicContact CG2-CD1 3.98Å
87	Q	50.2	Low	40.8	Very low	126 Å²	126	104.7 Å²	104.7	59%	0.589	57%	0.567	S	S	*	*	H	α-helix	trans	-71.5	-34.8	175.2	-73.3	-165.2	39.1	0	0	113.1	S83 D84 I89 K90 G91	S83-Q87 WeakPolarHBondContact O-CB 3.35Å; S83-Q87 WeakPolarHBondContact O-CG 3.4Å; S83-Q87 PolarHBondContact O-N 3.37Å; S83-Q87 PolarHBondContact OG-NE2 2.96Å; D84-Q87 PolarHBondContact O-N 3.39Å; Q87-I89 VanDerWaalsContact C-N 3.32Å; Q87-K90 CarbonylContact O-C 3.58Å; Q87-K90 PolarHBondContact O-N 2.87Å; Q87-G91 VanDerWaalsContact O-CA 3.23Å; Q87-G91 WeakPolarHBondContact O-CA 3.32Å; Q87-G91 PolarHBondContact O-N 3.3Å
88	Q	49.6	Very low	40.8	Very low	115 Å²	115	109.5 Å²	109.5	54%	0.537	58%	0.576	S	S	.	*	H	α-helix	trans	-69.4	-30.3	173.4	-77.1	178.7	15.3	0	0	112.3	D84 V85	D84-Q88 WeakPolarHBondContact O-CB 3.25Å; D84-Q88 VanDerWaalsContact O-CG 3.27Å; D84-Q88 WeakPolarHBondContact O-CG 3.39Å; D84-Q88 PolarHBondContact O-N 3.39Å; V85-Q88 PolarHBondContact O-N 2.77Å
89	I	50.2	Low	41	Very low	41 Å²	41	109.8 Å²	109.8	21%	0.21	58%	0.583	C	S	.	*	H	α-helix	trans	-73.3	-40.4	172.2	-67.6	167.1	0	0	0	110.6	V85 V86 Q87 L387	V85-I89 HydrophobicContact CG1-CD1 4.14Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.08Å; V85-I89 PolarHBondContact O-N 2.91Å; V86-I89 PolarHBondContact O-N 2.89Å; Q87-I89 VanDerWaalsContact C-N 3.32Å; I89-L387 HydrophobicContact CD1-CD2 4.15Å
90	K	47.8	Very low	40.7	Very low	120 Å²	120	108.2 Å²	108.2	52%	0.522	58%	0.576	S	S	.	*	H	α-helix	trans	-82	-15.8	178.8	-68.8	177.3	-179.2	177.8	0	114.7	V86 Q87 A92	V86-K90 HydrophobicContact CG1-CD 3.88Å; V86-K90 WeakPolarHBondContact O-CB 3.35Å; V86-K90 VanDerWaalsContact O-CG 3.32Å; V86-K90 WeakPolarHBondContact O-CG 3.45Å; V86-K90 PolarHBondContact O-N 2.82Å; Q87-K90 CarbonylContact O-C 3.58Å; Q87-K90 PolarHBondContact O-N 2.87Å; K90-A92 VanDerWaalsContact C-N 3.27Å; K90-A92 PolarHBondContact O-N 2.84Å
91	G	41.7	Very low	40.3	Very low	55 Å²	55	108.7 Å²	108.7	57%	0.567	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-9.4	-168.5	0	0	0	0	0	115.9	Q87 K93	Q87-G91 VanDerWaalsContact O-CA 3.23Å; Q87-G91 WeakPolarHBondContact O-CA 3.32Å; Q87-G91 PolarHBondContact O-N 3.3Å; G91-K93 PolarHBondContact O-N 2.86Å; G91-K93 VanDerWaalsContact O-N 3.09Å
92	A	43.1	Very low	40	Very low	57 Å²	57	109.6 Å²	109.6	47%	0.471	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	17.2	178.5	0	0	0	0	0	114.6	K90	K90-A92 VanDerWaalsContact C-N 3.27Å; K90-A92 PolarHBondContact O-N 2.84Å
93	K	35.9	Very low	39.6	Very low	176 Å²	176	113.1 Å²	113.1	77%	0.765	62%	0.623	S	S	*	*			trans	-141.7	85.6	176	-73.9	-174.9	177.2	177.5	0	111.3	G91	G91-K93 PolarHBondContact O-N 2.86Å; G91-K93 VanDerWaalsContact O-N 3.09Å
94	R	32.5	Very low	39.1	Very low	246 Å²	246	116 Å²	116	93%	0.928	64%	0.639	S	S	*	*			trans	-164.2	70.8	163	-114.5	175.7	-167.9	-165.8	2.7	113.2
95	T	33	Very low	38.4	Very low	132 Å²	132	121.1 Å²	121.1	81%	0.81	66%	0.664	S	S	*	*			trans	-148.3	158.1	152.8	46	0	0	0	0	108.5
96	N	32.5	Very low	37.8	Very low	154 Å²	154	124.6 Å²	124.6	82%	0.824	70%	0.7	S	S	*	*			trans	79.8	64.2	-177.2	-55	4.7	0	0	0	115.8
97	D	33.3	Very low	36.9	Very low	158 Å²	158	128.8 Å²	128.8	85%	0.845	72%	0.721	S	S	*	*			trans	-79.3	108.4	139	-74.3	-47.6	0	0	0	108.3
98	F	32.2	Very low	36.1	Very low	209 Å²	209	130.8 Å²	130.8	92%	0.917	73%	0.728	S	S	*	*			trans	-153.2	132.4	149.2	-123.9	-82.7	0	0	0	108.9
99	V	34.7	Very low	35.3	Very low	141 Å²	141	130.4 Å²	130.4	86%	0.855	74%	0.738	S	S	*	*			trans	-101.9	131.9	-160.2	173.3	0	0	0	0	112.5
100	G	31.6	Very low	34.5	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	76%	0.76	S	S	*	*			trans	80.5	160	153.3	0	0	0	0	0	116.9
101	V	32.1	Very low	34	Very low	134 Å²	134	135.9 Å²	135.9	81%	0.812	78%	0.779	S	S	*	*			cis	-151	146.1	-7.9	173.9	0	0	0	0	106
102	P	31.3	Very low	33.6	Very low	122 Å²	122	136.8 Å²	136.8	79%	0.792	79%	0.788	S	S	*	*			trans	-86	152.4	-171.5	34.4	-36.5	0	0	0	114.3
103	V	31.7	Very low	33.1	Very low	142 Å²	142	141.7 Å²	141.7	86%	0.861	81%	0.807	S	S	*	*			trans	-140.5	136	165.2	-178.6	0	0	0	0	111.1
104	T	35	Very low	33.1	Very low	123 Å²	123	139.4 Å²	139.4	76%	0.755	81%	0.813	S	S	*	*			trans	-87.4	142.9	173.6	42.6	0	0	0	0	113
105	I	30.6	Very low	33.2	Very low	179 Å²	179	132.9 Å²	132.9	92%	0.918	81%	0.805	S	S	*	*			trans	23.5	111.3	149	-49.3	176.9	0	0	0	116.9
106	G	33	Very low	33.1	Very low	76 Å²	76	132.5 Å²	132.5	78%	0.784	81%	0.806	S	S	*	*			trans	-179.4	112.4	168.2	0	0	0	0	0	114.2
107	D	32.5	Very low	33.1	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	81%	0.809	S	S	*	*			trans	-27.1	143.1	174.8	-98.3	-4.2	0	0	0	121
108	K	34.1	Very low	33.7	Very low	169 Å²	169	130.4 Å²	130.4	74%	0.735	80%	0.799	S	S	*	*			trans	79	124.7	138.4	-68.6	169.1	-179.5	128.2	0	122.8
109	S	33.3	Very low	33.8	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	79%	0.794	S	S	*	*			trans	75.1	110.7	138.6	56.7	0	0	0	0	123.1
110	S	33.7	Very low	33.9	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	79%	0.786	S	S	*	*				77.1	113.3	127.5	60.8	0	0	0	0	124.2
111	I	35.9	Very low	34.4	Very low	179 Å²	179	132.6 Å²	132.6	92%	0.918	80%	0.798	S	S	*	*				71.3	125	129.2	-56.5	166.6	0	0	0	119.8
112	G	33.5	Very low	34.6	Very low	73 Å²	73	134.8 Å²	134.8	75%	0.753	80%	0.799	S	S	*	*			trans	156	117	154.4	0	0	0	0	0	116
113	N	33.5	Very low	34.8	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	79%	0.794	S	S	*	*			trans	-88	152.2	178.7	-69.5	-27.7	0	0	0	113.3
114	S	36.1	Very low	35.1	Very low	128 Å²	128	133.3 Å²	133.3	90%	0.895	79%	0.793	S	S	*	*				162.5	164.3	115.7	-70.1	0	0	0	0	114.3
115	S	33.2	Very low	35	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	79%	0.793	S	S	*	*			trans	-102.9	164	-162.4	50.3	0	0	0	0	116.1
116	C	31.1	Very low	35.2	Very low	125 Å²	125	136 Å²	136	85%	0.845	79%	0.794	S	S	*	*				171.6	159.7	125	-85.5	0	0	0	0	114.6
117	L	33.5	Very low	35.2	Very low	167 Å²	167	137.1 Å²	137.1	87%	0.874	79%	0.79	S	S	*	*			trans	-142.3	-174.1	-176.8	-87.4	172.6	0	0	0	108
118	P	45.6	Very low	35.8	Very low	100 Å²	100	136.5 Å²	136.5	65%	0.649	79%	0.793	S	S	*	*			cis	-134.2	-167.6	-36.6	35.8	-15.9	0	0	0	112.9
119	N	34.9	Very low	35.9	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	80%	0.802	S	S	*	*			trans	-174.7	122.6	147.5	-93.8	-23.4	0	0	0	109.2
120	T	36	Very low	36	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.693	80%	0.801	S	S	*	*				80	122.4	61.6	57.7	0	0	0	0	117.2
121	H	41.6	Very low	36	Very low	199 Å²	199	140.8 Å²	140.8	92%	0.921	80%	0.804	S	S	*	*			trans	-156.5	145.7	151.9	-102.3	-74.5	0	0	0	110.7
122	Q	36.8	Very low	36.1	Very low	181 Å²	181	138.1 Å²	138.1	85%	0.846	80%	0.798	S	S	*	*			trans	-102.9	156.7	-169.5	-59.9	166.5	-21.1	0	0	111.7
123	S	36.1	Very low	36	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	80%	0.797	S	S	*	*				162.9	166.7	86.9	-81.1	0	0	0	0	108.4
124	T	36.8	Very low	36.3	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	80%	0.796	S	S	*	*			cis	-155.7	-179.1	3.1	-1.7	0	0	0	0	110.1
125	N	33.1	Very low	36.2	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	79%	0.791	S	S	*	*			trans	-109.2	164.7	-174.7	-65.3	-40.3	0	0	0	115.4
126	F	34.5	Very low	36.3	Very low	215 Å²	215	144.2 Å²	144.2	94%	0.943	80%	0.798	S	S	*	*			trans	-149.9	149.3	133.8	-99.8	-74.8	0	0	0	110.7
127	S	33.3	Very low	36.3	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	79%	0.793	S	S	*	*			trans	-152.5	-164.5	-169.8	-49.8	0	0	0	0	111.8
128	P	44.4	Very low	36.4	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	79%	0.791	S	S	*	*				-126.4	-172.7	-110.4	38	-17.1	0	0	0	115.6
129	T	37.7	Very low	35.7	Very low	148 Å²	148	144.5 Å²	144.5	91%	0.908	80%	0.795	S	S	*	*			trans	-137.8	160.9	174.8	-20.2	0	0	0	0	112.9
130	Q	34.3	Very low	35.5	Very low	154 Å²	154	144.4 Å²	144.4	72%	0.72	80%	0.8	S	S	*	*			trans	-128	165	-156.3	-49.3	179.1	7.3	0	0	116.1
131	Q	33.7	Very low	35.3	Very low	162 Å²	162	143.5 Å²	143.5	76%	0.757	80%	0.804	S	S	*	*			trans	69.9	164.4	144.4	-80.8	179.3	41.9	0	0	121.1
132	P	37.6	Very low	34.7	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	80%	0.798	S	S	*	*			cis	-133.6	-164.4	-28	34.9	-14.4	0	0	0	113.9
133	A	32.6	Very low	34.4	Very low	89 Å²	89	141.5 Å²	141.5	74%	0.736	80%	0.796	S	S	*	*			trans	-98.4	168.6	-167	0	0	0	0	0	116.8
134	N	38.9	Very low	34	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	81%	0.805	S	S	*	*			trans	-163.7	159	144.4	-102.4	-27.8	0	0	0	115.3
135	F	33.5	Very low	33.7	Very low	180 Å²	180	147.2 Å²	147.2	79%	0.789	80%	0.797	S	S	*	*			trans	-75.7	151.1	-161.2	-62.4	-106.5	0	0	0	118.1
136	L	35.4	Very low	33.4	Very low	173 Å²	173	147.3 Å²	147.3	91%	0.906	80%	0.797	S	S	*	*				-175.9	153.1	110.1	-100.4	156.3	0	0	0	113.6
137	N	31.7	Very low	33.2	Very low	137 Å²	137	141.3 Å²	141.3	73%	0.733	78%	0.78	S	S	*	*			trans	-90.9	147.9	-164.8	-71.4	-38.1	0	0	0	115.1
138	N	34.9	Very low	33.1	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	78%	0.78	S	S	*	*				-165.9	101.9	123.1	-103.7	-22.3	0	0	0	114.1
139	S	30.9	Very low	32.7	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	78%	0.776	S	S	*	*			trans	49	82.6	130.6	-49.6	0	0	0	0	121.4
140	V	31.1	Very low	32.3	Very low	147 Å²	147	142.9 Å²	142.9	89%	0.891	77%	0.771	S	S	*	*				-147.6	126.8	113.5	-179.8	0	0	0	0	107.8
141	A	31.4	Very low	32.1	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	76%	0.764	S	S	*	*			trans	-75.6	144.1	-172.1	0	0	0	0	0	113.8	M143	A141-M143 PolarHBondContact O-N 2.89Å
142	H	30.3	Very low	32	Very low	175 Å²	175	137.3 Å²	137.3	81%	0.81	77%	0.765	S	S	*	*			trans	-63.6	124.1	167.9	-79.6	-68.1	0	0	0	111.6
143	M	29.8	Very low	31.8	Very low	162 Å²	162	140.7 Å²	140.7	80%	0.798	77%	0.77	S	S	*	*			trans	-105.9	85.8	145.6	-77.1	-142.7	178.2	0	0	109.9	A141 N145	A141-M143 PolarHBondContact O-N 2.89Å; M143-N145 PolarHBondContact O-N 2.62Å
144	R	27.7	Very low	32.4	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	75%	0.751	S	S	*	*			trans	-81.9	65.6	147.9	-82.6	-173.1	175.2	171.8	0	108	N146	R144-N146 PolarHBondContact O-N 2.69Å
145	N	30.5	Very low	32.5	Very low	124 Å²	124	136.7 Å²	136.7	66%	0.663	74%	0.74	S	S	*	*			trans	-83	110.3	164	-89.9	-7.6	0	0	0	107.6	M143 P147	M143-N145 PolarHBondContact O-N 2.62Å; N145-P147 WeakPolarHBondContact O-CD 3.46Å
146	N	28	Very low	33.2	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	74%	0.742	S	S	*	*			trans	-63.4	110.1	162.9	-170	29.1	0	0	0	106.8	R144 S148	R144-N146 PolarHBondContact O-N 2.69Å; N146-S148 VanDerWaalsContact C-N 3.29Å; N146-S148 PolarHBondContact O-N 3.25Å
147	P	30.3	Very low	34.1	Very low	89 Å²	89	134.9 Å²	134.9	58%	0.578	74%	0.739	S	S	*	*			trans	-72.2	100.9	163.9	30.9	-25.9	0	0	0	105.2	N145 H149	N145-P147 WeakPolarHBondContact O-CD 3.46Å; P147-H149 PolarHBondContact O-N 3.21Å
148	S	29.9	Very low	36.3	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	72%	0.723	S	S	*	*			trans	-58.7	79.1	142.1	53.4	0	0	0	0	106.2	N146 N150	N146-S148 VanDerWaalsContact C-N 3.29Å; N146-S148 PolarHBondContact O-N 3.25Å; S148-N150 VanDerWaalsContact C-N 3.27Å; S148-N150 PolarHBondContact O-N 2.83Å
149	H	35.4	Very low	39.1	Very low	150 Å²	150	127.4 Å²	127.4	69%	0.694	71%	0.705	S	S	*	*			trans	-63.7	102.2	169.4	-111.4	-68.4	0	0	0	104.5	P147 S151	P147-H149 PolarHBondContact O-N 3.21Å; H149-S151 PolarHBondContact O-N 2.86Å
150	N	30.4	Very low	42.2	Very low	149 Å²	149	123.1 Å²	123.1	80%	0.797	67%	0.673	S	S	*	*			trans	-58.6	79.2	145.5	-74.9	-10.9	0	0	0	105.9	S148	S148-N150 VanDerWaalsContact C-N 3.27Å; S148-N150 PolarHBondContact O-N 2.83Å
151	S	29.4	Very low	45.2	Very low	83 Å²	83	117 Å²	117	58%	0.58	64%	0.636	S	S	*	*			trans	-45	126.9	148.4	-60.9	0	0	0	0	105.1	H149 Q153	H149-S151 PolarHBondContact O-N 2.86Å; S151-Q153 PolarHBondContact O-N 3.48Å
152	P	32.5	Very low	48.2	Very low	117 Å²	117	112.7 Å²	112.7	76%	0.76	60%	0.6	S	S	*	*			trans	-53	117.1	177.6	21.2	-31.4	0	0	0	107	I154	P152-I154 VanDerWaalsContact C-N 3.3Å; P152-I154 PolarHBondContact O-N 2.97Å
153	Q	33.2	Very low	51.1	Low	192 Å²	192	106.3 Å²	106.3	90%	0.897	57%	0.572	S	S	*	*			trans	-60.8	103.5	173.8	-79.9	-175.7	-24	0	0	105.4	S151	S151-Q153 PolarHBondContact O-N 3.48Å
154	I	45.8	Very low	53.9	Low	66 Å²	66	99.6 Å²	99.6	34%	0.338	54%	0.539	S	S	.	.			trans	-57.7	127	175.7	-58.2	176.9	0	0	0	105	P152 T156 F160 W193	P152-I154 VanDerWaalsContact C-N 3.3Å; P152-I154 PolarHBondContact O-N 2.97Å; I154-T156 PolarHBondContact O-N 2.86Å; I154-F160 HydrophobicContact CG2-CZ 3.8Å; I154-W193 HydrophobicContact CD1-CH2 3.57Å; I154-W193 HydrophobicContact CD1-CZ2 3.82Å
155	P	40.2	Very low	56.9	Low	96 Å²	96	93.7 Å²	93.7	62%	0.623	52%	0.524	S	S	*	.			trans	-49.2	121.9	-176.9	-29.3	35.2	0	0	0	109.9	E157	P155-E157 PolarHBondContact O-N 3.44Å
156	T	48.1	Very low	59.7	Low	134 Å²	134	88.2 Å²	88.2	82%	0.822	49%	0.494	S	S	*	.	S	Bend	trans	-65.4	-5.4	177.2	42.8	0	0	0	0	112.3	I154	I154-T156 PolarHBondContact O-N 2.86Å
157	E	55.5	Low	62.7	Low	182 Å²	182	86.2 Å²	86.2	85%	0.85	49%	0.487	S	S	*	.	S	Bend	trans	-107.2	93.5	169.3	-62.7	-177.5	152.9	0	0	109.2	P155	P155-E157 PolarHBondContact O-N 3.44Å
158	G	77.9	Confident	65.5	Low	38 Å²	38	85.4 Å²	85.4	39%	0.392	47%	0.474	S	S	.	.			trans	-172	131.8	177.3	0	0	0	0	0	112.3	F160	G158-F160 VanDerWaalsContact O-CD2 3.32Å; G158-F160 WeakPolarHBondContact O-CD2 3.29Å; G158-F160 WeakPolarHBondContact O-CE2 3.2Å
159	Q	93.1	Very high	68.4	Low	98 Å²	98	81.7 Å²	81.7	46%	0.458	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.1	167.9	-79	-176.6	-17.9	0	0	110.2	I181 V214	Q159-I181 HydrophobicContact CB-CG2 3.69Å; Q159-I181 HydrophobicContact CG-CG2 3.92Å; Q159-V214 HydrophobicContact CB-CG2 4.04Å; Q159-V214 WeakPolarHBondContact O-CG2 3.21Å; Q159-V214 PolarHBondContact O-N 2.63Å
160	F	95.6	Very high	70.9	Confident	15 Å²	15	75.8 Å²	75.8	7%	0.066	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.2	179.3	-70.5	-103.2	0	0	0	110.6	I154 G158 I181 F182 I184 W193 L211 A212 A213	I154-F160 HydrophobicContact CG2-CZ 3.8Å; G158-F160 VanDerWaalsContact O-CD2 3.32Å; G158-F160 WeakPolarHBondContact O-CD2 3.29Å; G158-F160 WeakPolarHBondContact O-CE2 3.2Å; F160-I181 CarbonylContact O-C 3.6Å; F160-I181 VanDerWaalsContact O-CA 3.29Å; F160-I181 WeakPolarHBondContact O-CA 3.36Å; F160-F182 PolarHBondContact N-O 2.72Å; F160-F182 PolarHBondContact O-N 2.88Å; F160-I184 HydrophobicContact CB-CD1 4.42Å; F160-I184 HydrophobicContact CD2-CD1 4.14Å; F160-I184 HydrophobicContact CD2-CG1 3.46Å; F160-I184 VanDerWaalsContact CD2-CG1 3.46Å; F160-I184 HydrophobicContact CE2-CG1 3.75Å; F160-I184 HydrophobicContact CG-CD1 4.28Å; F160-I184 HydrophobicContact CG-CG1 4.05Å; F160-W193 HydrophobicContact CD1-CZ3 4.18Å; F160-W193 HydrophobicContact CE1-CH2 4.37Å; F160-W193 AromaticContact CE1-CZ3 3.88Å; F160-W193 HydrophobicContact CE1-CZ3 3.88Å; F160-W193 HydrophobicContact CZ-CZ3 4.3Å; F160-L211 HydrophobicContact CB-CB 4.31Å; F160-L211 HydrophobicContact CB-CD2 4.18Å; F160-L211 HydrophobicContact CD1-CB 4.26Å; F160-A212 CarbonylContact C-O 3.56Å; F160-A212 WeakPolarHBondContact CA-O 3.36Å; F160-A212 VanDerWaalsContact CD1-C 3.49Å; F160-A213 HydrophobicContact CD1-CB 4.29Å; F160-A213 HydrophobicContact CE1-CB 3.94Å; F160-A213 HydrophobicContact CZ-CB 4.25Å
161	V	94.9	Very high	73.7	Confident	19 Å²	19	75.6 Å²	75.6	12%	0.115	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.4	176.1	62.5	0	0	0	0	110.8	L163 Q180 I181 L211 A212 V214	V161-L163 HydrophobicContact CG1-CD2 4.4Å; V161-L163 PolarHBondContact O-N 2.75Å; V161-Q180 CarbonylContact C-O 3.56Å; V161-Q180 WeakPolarHBondContact CA-O 3.43Å; V161-I181 HydrophobicContact CB-CD1 3.8Å; V161-I181 HydrophobicContact CG2-CD1 3.89Å; V161-L211 WeakPolarHBondContact O-CA 3.04Å; V161-A212 PolarHBondContact N-O 3.06Å; V161-A212 PolarHBondContact O-N 3.19Å; V161-A212 VanDerWaalsContact O-N 3.14Å; V161-V214 HydrophobicContact CB-CG2 4.15Å
162	A	94.6	Very high	76.7	Confident	2 Å²	2	74 Å²	74	2%	0.017	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.6	168.1	0	0	0	0	0	110.8	H164 M176 T177 G179 Q180 F182 H210	A162-H164 VanDerWaalsContact C-N 3.34Å; A162-M176 HydrophobicContact CB-CB 4.21Å; A162-M176 HydrophobicContact CB-CE 3.53Å; A162-T177 WeakPolarHBondContact CB-O 3.49Å; A162-G179 PolarHBondContact O-N 2.9Å; A162-Q180 PolarHBondContact N-O 2.95Å; A162-F182 HydrophobicContact CB-CE2 3.84Å; A162-H210 WeakPolarHBondContact CA-O 3.23Å
163	L	90.7	Very high	79.5	Confident	41 Å²	41	68.7 Å²	68.7	22%	0.215	37%	0.369	C	S	.	.	S	Bend	trans	-75.5	-25.8	176.8	-58.8	-178.8	0	0	0	112.7	V161 K178 H210 A212 E218	V161-L163 HydrophobicContact CG1-CD2 4.4Å; V161-L163 PolarHBondContact O-N 2.75Å; L163-K178 WeakPolarHBondContact O-CE 3.32Å; L163-K178 WeakPolarHBondContact O-CG 3.44Å; L163-H210 PolarHBondContact N-O 2.73Å; L163-A212 HydrophobicContact CD1-CB 4.19Å; L163-A212 HydrophobicContact CD2-CB 3.79Å; L163-A212 HydrophobicContact CG-CB 4.23Å; L163-E218 WeakPolarHBondContact CD2-O 3.39Å
164	H	87.2	Confident	82.4	Confident	22 Å²	22	60.3 Å²	60.3	10%	0.102	33%	0.33	C	S	.	.	S	Bend	trans	-144.4	159.7	-173.2	-51.8	112.7	0	0	0	110.2	A162 H325 P326	A162-H164 VanDerWaalsContact C-N 3.34Å; H164-H325 AromaticContact CD2-CE1 3.58Å; H164-H325 AromaticContact CD2-CG 3.9Å; H164-H325 AromaticContact CD2-ND1 2.99Å; H164-H325 PolarHBondContact CD2-ND1 3.47Å; H164-H325 AromaticContact CG-ND1 3.77Å; H164-H325 AromaticContact NE2-ND1 3.23Å; H164-H325 PolarHBondContact NE2-ND1 2.83Å; H164-P326 WeakPolarHBondContact CE1-CD 3.39Å
165	D	90.8	Very high	84.6	Confident	106 Å²	106	61 Å²	61	57%	0.567	34%	0.335	S	S	*	.			trans	-68.3	140.1	165.5	-63.3	-27.3	0	0	0	109.5	M176 T177 K178	D165-M176 WeakPolarHBondContact CA-O 3.4Å; D165-T177 VanDerWaalsContact OD1-CA 3.28Å; D165-T177 WeakPolarHBondContact OD1-CA 3.31Å; D165-T177 WeakPolarHBondContact OD1-CG2 3.2Å; D165-K178 PolarHBondContact OD1-N 3.32Å
166	Y	90.8	Very high	87.2	Confident	8 Å²	8	56.7 Å²	56.7	3%	0.031	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-137.2	119.3	172.7	167.2	-97.9	0	0	0	109.3	R169 D173 L174 N175 M176 W192 P207 P328	Y166-R169 HydrophobicContact CE2-CG 4.11Å; Y166-R169 PolarHBondContact OH-N 3.32Å; Y166-D173 HydrophobicContact CE1-CB 4.22Å; Y166-D173 PolarHBondContact OH-OD2 3.22Å; Y166-D173 VanDerWaalsContact OH-OD2 3.04Å; Y166-L174 VanDerWaalsContact CD1-O 3.32Å; Y166-L174 WeakPolarHBondContact CD1-O 3.38Å; Y166-L174 WeakPolarHBondContact CE1-O 3.33Å; Y166-N175 WeakPolarHBondContact O-CA 3.41Å; Y166-M176 HydrophobicContact CD1-CG 4.19Å; Y166-M176 HydrophobicContact CD1-SD 4.07Å; Y166-M176 HydrophobicContact CG-SD 4.29Å; Y166-M176 PolarHBondContact N-O 3.44Å; Y166-M176 PolarHBondContact O-N 3.35Å; Y166-W192 HydrophobicContact CE2-CH2 4.25Å; Y166-W192 HydrophobicContact CE2-CZ3 4.5Å; Y166-W192 AromaticContact CZ-CZ3 3.92Å; Y166-W192 WeakPolarHBondContact OH-CH2 3.48Å; Y166-W192 WeakPolarHBondContact OH-CZ3 3.5Å; Y166-P207 HydrophobicContact CD1-CG 4.28Å; Y166-P207 HydrophobicContact CD2-CG 3.85Å; Y166-P207 HydrophobicContact CE2-CG 4.11Å; Y166-P207 HydrophobicContact CG-CG 3.96Å; Y166-P328 HydrophobicContact CD2-CG 4.03Å; Y166-P328 HydrophobicContact CE2-CG 3.83Å
167	V	90	Very high	89.4	Confident	103 Å²	103	53.9 Å²	53.9	62%	0.624	29%	0.288	S	S	*	.			trans	-89.1	124.8	174.7	-177.9	0	0	0	0	108.5
168	K	90.6	Very high	91.1	Very high	71 Å²	71	49.6 Å²	49.6	31%	0.309	27%	0.267	S	S	.	.			trans	-55.2	136	-176.8	77	172.5	-162.5	156.7	0	111.7	D171 D173 N175	K168-D171 PolarHBondContact NZ-O 2.96Å; K168-D173 HydrophobicContact CB-CB 3.85Å; K168-D173 WeakPolarHBondContact CD-O 3.2Å; K168-N175 WeakPolarHBondContact CB-OD1 3.32Å; K168-N175 WeakPolarHBondContact CG-OD1 3.42Å; K168-N175 PolarHBondContact N-OD1 2.86Å
169	R	88.9	Confident	91.8	Very high	24 Å²	24	50 Å²	50	9%	0.091	27%	0.272	C	S	.	.	S	Bend	trans	-105.1	-25.6	-173.4	-58.3	177.4	175	-176.2	-8.9	113.6	Y166 D173 E327 L331 W365 N366 T369	Y166-R169 HydrophobicContact CE2-CG 4.11Å; Y166-R169 PolarHBondContact OH-N 3.32Å; R169-D173 PolarHBondContact N-OD2 3.09Å; R169-D173 VanDerWaalsContact N-OD2 3.11Å; R169-E327 IonicContact CZ-OE2 3.59Å; R169-E327 IonicContact NH1-OE2 3.57Å; R169-E327 IonicContact NH2-OE1 3.9Å; R169-E327 IonicContact NH2-OE2 2.7Å; R169-E327 PolarHBondContact NH2-OE2 2.61Å; R169-L331 WeakPolarHBondContact CD-O 3.25Å; R169-W365 HydrophobicContact CB-CH2 4.32Å; R169-W365 HydrophobicContact CB-CZ3 3.65Å; R169-W365 HydrophobicContact CG-CZ3 4.49Å; R169-N366 PolarHBondContact O-ND2 2.87Å; R169-T369 WeakPolarHBondContact CD-OG1 3.26Å; R169-T369 WeakPolarHBondContact CG-OG1 3.42Å
170	V	88.7	Confident	92	Very high	25 Å²	25	47.6 Å²	47.6	15%	0.152	26%	0.261	C	S	.	.	S	Bend	trans	-126.2	169.8	164.4	-68.9	0	0	0	0	111.2	D172 D173 W365 N366	V170-D172 VanDerWaalsContact C-N 3.25Å; V170-D172 VanDerWaalsContact CG2-OD1 3.27Å; V170-D172 WeakPolarHBondContact CG2-OD1 3.06Å; V170-D172 PolarHBondContact O-N 3.1Å; V170-D173 HydrophobicContact CG2-CB 4.39Å; V170-D173 WeakPolarHBondContact CG2-OD1 3.45Å; V170-D173 WeakPolarHBondContact CG2-OD2 3.38Å; V170-D173 PolarHBondContact N-OD2 3.46Å; V170-D173 PolarHBondContact O-N 3.44Å; V170-W365 HydrophobicContact CG1-CH2 3.84Å; V170-W365 HydrophobicContact CG1-CZ2 4.18Å; V170-N366 WeakPolarHBondContact CG1-ND2 3.49Å
171	D	89.3	Confident	92	Very high	145 Å²	145	49.1 Å²	49.1	78%	0.775	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30	-171.8	-72	-46.7	0	0	0	114.5	K168	K168-D171 PolarHBondContact NZ-O 2.96Å
172	D	91.5	Very high	92.1	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.9	-179.7	56.7	-33	0	0	0	114.8	V170 G204 Y205 H333 K334	V170-D172 VanDerWaalsContact C-N 3.25Å; V170-D172 VanDerWaalsContact CG2-OD1 3.27Å; V170-D172 WeakPolarHBondContact CG2-OD1 3.06Å; V170-D172 PolarHBondContact O-N 3.1Å; D172-G204 CarbonylContact O-C 3.57Å; D172-G204 WeakPolarHBondContact O-CA 3.48Å; D172-Y205 PolarHBondContact O-N 3.45Å; D172-H333 IonicContact OD1-CE1 3.89Å; D172-H333 IonicContact OD2-CE1 3.3Å; D172-H333 PolarHBondContact OD2-CE1 2.8Å; D172-H333 VanDerWaalsContact OD2-CE1 3.3Å; D172-H333 IonicContact OD2-NE2 3.54Å; D172-K334 IonicContact OD1-NZ 2.69Å; D172-K334 PolarHBondContact OD1-NZ 2.71Å; D172-K334 WeakPolarHBondContact OD2-CE 3.29Å; D172-K334 IonicContact OD2-NZ 2.62Å; D172-K334 PolarHBondContact OD2-NZ 3.3Å
173	D	92.3	Very high	92.2	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.027	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-78.5	152.3	160.7	-59.3	-27.7	0	0	0	109.5	Y166 K168 R169 V170 Y205 H333	Y166-D173 HydrophobicContact CE1-CB 4.22Å; Y166-D173 PolarHBondContact OH-OD2 3.22Å; Y166-D173 VanDerWaalsContact OH-OD2 3.04Å; K168-D173 HydrophobicContact CB-CB 3.85Å; K168-D173 WeakPolarHBondContact CD-O 3.2Å; R169-D173 PolarHBondContact N-OD2 3.09Å; R169-D173 VanDerWaalsContact N-OD2 3.11Å; V170-D173 HydrophobicContact CG2-CB 4.39Å; V170-D173 WeakPolarHBondContact CG2-OD1 3.45Å; V170-D173 WeakPolarHBondContact CG2-OD2 3.38Å; V170-D173 PolarHBondContact N-OD2 3.46Å; V170-D173 PolarHBondContact O-N 3.44Å; D173-Y205 CarbonylContact C-O 3.49Å; D173-Y205 WeakPolarHBondContact CA-O 3.27Å; D173-H333 IonicContact OD1-ND1 3.59Å
174	L	93.6	Very high	92.4	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-102.6	134.9	177.9	-173.7	55.9	0	0	0	110.3	Y166 F182 C197 N202 Y205 V206	Y166-L174 VanDerWaalsContact CD1-O 3.32Å; Y166-L174 WeakPolarHBondContact CD1-O 3.38Å; Y166-L174 WeakPolarHBondContact CE1-O 3.33Å; L174-F182 HydrophobicContact CD2-CD1 4.14Å; L174-F182 HydrophobicContact CD2-CE1 3.72Å; L174-F182 HydrophobicContact CG-CE1 4.32Å; L174-C197 HydrophobicContact CD2-CB 4.1Å; L174-N202 HydrophobicContact CD1-CB 3.66Å; L174-N202 WeakPolarHBondContact CD2-O 3.49Å; L174-Y205 PolarHBondContact N-O 3.24Å; L174-V206 HydrophobicContact CB-CG1 3.86Å; L174-V206 HydrophobicContact CD2-CG1 4.36Å; L174-V206 HydrophobicContact CG-CG1 4.46Å
175	N	93.2	Very high	92.7	Very high	81 Å²	81	53.3 Å²	53.3	43%	0.433	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-66.3	137.9	169.5	-72.4	-47	0	0	0	109.5	Y166 K168	Y166-N175 WeakPolarHBondContact O-CA 3.41Å; K168-N175 WeakPolarHBondContact CB-OD1 3.32Å; K168-N175 WeakPolarHBondContact CG-OD1 3.42Å; K168-N175 PolarHBondContact N-OD1 2.86Å
176	M	93.9	Very high	92.8	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.025	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-119.8	136.7	173.2	-51.3	165.5	59.4	0	0	109.1	A162 D165 Y166 F182 V206 P207 H210 L211	A162-M176 HydrophobicContact CB-CB 4.21Å; A162-M176 HydrophobicContact CB-CE 3.53Å; D165-M176 WeakPolarHBondContact CA-O 3.4Å; Y166-M176 HydrophobicContact CD1-CG 4.19Å; Y166-M176 HydrophobicContact CD1-SD 4.07Å; Y166-M176 HydrophobicContact CG-SD 4.29Å; Y166-M176 PolarHBondContact N-O 3.44Å; Y166-M176 PolarHBondContact O-N 3.35Å; M176-F182 HydrophobicContact CB-CE2 4.47Å; M176-F182 HydrophobicContact CB-CZ 4.02Å; M176-F182 HydrophobicContact CE-CE2 4.33Å; M176-F182 HydrophobicContact CG-CE1 4.26Å; M176-F182 HydrophobicContact CG-CE2 4.35Å; M176-F182 HydrophobicContact CG-CZ 3.75Å; M176-V206 HydrophobicContact CG-CG1 3.82Å; M176-V206 HydrophobicContact SD-CB 3.72Å; M176-V206 HydrophobicContact SD-CG1 3.69Å; M176-P207 HydrophobicContact SD-CG 4.33Å; M176-H210 HydrophobicContact CE-CB 3.81Å; M176-H210 HydrophobicContact SD-CB 4.3Å; M176-L211 HydrophobicContact CE-CD2 3.56Å; M176-L211 HydrophobicContact CE-CG 4.07Å
177	T	94.4	Very high	92.9	Very high	74 Å²	74	54.4 Å²	54.4	45%	0.454	30%	0.297	S	S	.	.			trans	-108	137.4	162.4	-52.9	0	0	0	0	108.3	A162 D165 G179 Q180	A162-T177 WeakPolarHBondContact CB-O 3.49Å; D165-T177 VanDerWaalsContact OD1-CA 3.28Å; D165-T177 WeakPolarHBondContact OD1-CA 3.31Å; D165-T177 WeakPolarHBondContact OD1-CG2 3.2Å; T177-G179 PolarHBondContact O-N 3.45Å; T177-Q180 WeakPolarHBondContact O-CB 3.43Å; T177-Q180 VanDerWaalsContact O-CG 3.31Å; T177-Q180 WeakPolarHBondContact O-CG 3.33Å; T177-Q180 PolarHBondContact O-N 2.81Å
178	K	92	Very high	92.9	Very high	92 Å²	92	54 Å²	54	40%	0.4	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	133.5	176.3	-176.9	177.6	-179.4	-157.3	0	111.1	L163 D165 Q180 E221	L163-K178 WeakPolarHBondContact O-CE 3.32Å; L163-K178 WeakPolarHBondContact O-CG 3.44Å; D165-K178 PolarHBondContact OD1-N 3.32Å; K178-Q180 VanDerWaalsContact C-N 3.32Å; K178-Q180 PolarHBondContact O-N 3.14Å; K178-E221 WeakPolarHBondContact CE-OE1 3.41Å; K178-E221 IonicContact NZ-OE1 3.77Å; K178-E221 PolarHBondContact NZ-OE1 2.89Å; K178-E221 IonicContact NZ-OE2 2.87Å; K178-E221 PolarHBondContact NZ-OE2 2.91Å
179	G	92.8	Very high	92.7	Very high	48 Å²	48	52.8 Å²	52.8	50%	0.495	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-10	-175.5	0	0	0	0	0	115.5	A162 T177	A162-G179 PolarHBondContact O-N 2.9Å; T177-G179 PolarHBondContact O-N 3.45Å
180	Q	95.5	Very high	92.4	Very high	47 Å²	47	55 Å²	55	22%	0.22	31%	0.312	C	S	.	.			trans	-65.6	146.3	172.1	-75	177.9	-17.1	0	0	111.5	V161 A162 T177 K178 F182	V161-Q180 CarbonylContact C-O 3.56Å; V161-Q180 WeakPolarHBondContact CA-O 3.43Å; A162-Q180 PolarHBondContact N-O 2.95Å; T177-Q180 WeakPolarHBondContact O-CB 3.43Å; T177-Q180 VanDerWaalsContact O-CG 3.31Å; T177-Q180 WeakPolarHBondContact O-CG 3.33Å; T177-Q180 PolarHBondContact O-N 2.81Å; K178-Q180 VanDerWaalsContact C-N 3.32Å; K178-Q180 PolarHBondContact O-N 3.14Å; Q180-F182 HydrophobicContact CB-CE2 3.58Å; Q180-F182 HydrophobicContact CB-CZ 3.98Å; Q180-F182 WeakPolarHBondContact O-CD2 3.4Å; Q180-F182 WeakPolarHBondContact O-CE2 3.4Å
181	I	96.6	Very high	92.3	Very high	47 Å²	47	56.1 Å²	56.1	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.9	-178.8	-51.5	-56.3	0	0	0	110.5	Q159 F160 V161 V198 V214	Q159-I181 HydrophobicContact CB-CG2 3.69Å; Q159-I181 HydrophobicContact CG-CG2 3.92Å; F160-I181 CarbonylContact O-C 3.6Å; F160-I181 VanDerWaalsContact O-CA 3.29Å; F160-I181 WeakPolarHBondContact O-CA 3.36Å; V161-I181 HydrophobicContact CB-CD1 3.8Å; V161-I181 HydrophobicContact CG2-CD1 3.89Å; I181-V198 HydrophobicContact CB-CB 4.29Å; I181-V198 HydrophobicContact CB-CG2 4.29Å; I181-V198 HydrophobicContact CG2-CB 4.42Å; I181-V198 HydrophobicContact CG2-CG2 3.94Å; I181-V198 WeakPolarHBondContact O-CB 3.15Å; I181-V198 WeakPolarHBondContact O-CG2 3.41Å; I181-V198 PolarHBondContact O-N 2.88Å; I181-V214 HydrophobicContact CD1-CG2 3.83Å
182	F	96.8	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.4	-176.1	-63.7	-95.7	0	0	0	111.3	F160 A162 L174 M176 Q180 A195 E196 C197 V206 L211	F160-F182 PolarHBondContact N-O 2.72Å; F160-F182 PolarHBondContact O-N 2.88Å; A162-F182 HydrophobicContact CB-CE2 3.84Å; L174-F182 HydrophobicContact CD2-CD1 4.14Å; L174-F182 HydrophobicContact CD2-CE1 3.72Å; L174-F182 HydrophobicContact CG-CE1 4.32Å; M176-F182 HydrophobicContact CB-CE2 4.47Å; M176-F182 HydrophobicContact CB-CZ 4.02Å; M176-F182 HydrophobicContact CE-CE2 4.33Å; M176-F182 HydrophobicContact CG-CE1 4.26Å; M176-F182 HydrophobicContact CG-CE2 4.35Å; M176-F182 HydrophobicContact CG-CZ 3.75Å; Q180-F182 HydrophobicContact CB-CE2 3.58Å; Q180-F182 HydrophobicContact CB-CZ 3.98Å; Q180-F182 WeakPolarHBondContact O-CD2 3.4Å; Q180-F182 WeakPolarHBondContact O-CE2 3.4Å; F182-A195 HydrophobicContact CB-CB 4.29Å; F182-A195 HydrophobicContact CD1-CB 4.19Å; F182-E196 CarbonylContact C-O 3.49Å; F182-E196 VanDerWaalsContact CA-O 3.25Å; F182-E196 WeakPolarHBondContact CA-O 3.41Å; F182-C197 HydrophobicContact CD1-CB 4.01Å; F182-C197 HydrophobicContact CE1-CB 3.65Å; F182-C197 HydrophobicContact CZ-CB 4.32Å; F182-V206 HydrophobicContact CE1-CG1 4.33Å; F182-L211 HydrophobicContact CD2-CD2 3.95Å; F182-L211 HydrophobicContact CG-CD2 4.38Å
183	N	96.3	Very high	92.6	Very high	53 Å²	53	47.4 Å²	47.4	28%	0.283	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.2	162.6	-61.6	-31.6	0	0	0	107.8	A195 E196 V198	N183-A195 CarbonylContact O-C 3.56Å; N183-A195 VanDerWaalsContact O-CA 3.28Å; N183-A195 WeakPolarHBondContact O-CA 3.25Å; N183-E196 HydrophobicContact CB-CB 4.41Å; N183-E196 PolarHBondContact N-O 3.14Å; N183-E196 PolarHBondContact ND2-OE2 2.97Å; N183-E196 PolarHBondContact O-N 3.33Å; N183-V198 WeakPolarHBondContact OD1-CG2 3.23Å
184	I	95.3	Very high	92.7	Very high	38 Å²	38	51 Å²	51	20%	0.195	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.7	176.3	-50.7	-54.8	0	0	0	108.9	F160 N187 W193 A195 L211	F160-I184 HydrophobicContact CB-CD1 4.42Å; F160-I184 HydrophobicContact CD2-CD1 4.14Å; F160-I184 HydrophobicContact CD2-CG1 3.46Å; F160-I184 VanDerWaalsContact CD2-CG1 3.46Å; F160-I184 HydrophobicContact CE2-CG1 3.75Å; F160-I184 HydrophobicContact CG-CD1 4.28Å; F160-I184 HydrophobicContact CG-CG1 4.05Å; I184-N187 HydrophobicContact CG2-CB 3.95Å; I184-W193 HydrophobicContact CD1-CE3 3.93Å; I184-W193 HydrophobicContact CG1-CE3 4.07Å; I184-W193 HydrophobicContact CG1-CZ3 4.43Å; I184-W193 HydrophobicContact CG2-CB 4.12Å; I184-W193 HydrophobicContact CG2-CD2 4.35Å; I184-W193 HydrophobicContact CG2-CE3 4.25Å; I184-W193 HydrophobicContact CG2-CG 4.36Å; I184-A195 HydrophobicContact CD1-CB 3.93Å; I184-L211 HydrophobicContact CD1-CD1 3.81Å
185	L	94.4	Very high	92.8	Very high	80 Å²	80	50.3 Å²	50.3	42%	0.419	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-34.1	-178.6	-59.1	-177	0	0	0	111.9	Y194 E196 R203	L185-Y194 HydrophobicContact CB-CD1 4.03Å; L185-Y194 HydrophobicContact CD1-CD1 4.04Å; L185-Y194 HydrophobicContact CD1-CE1 4.03Å; L185-Y194 PolarHBondContact N-O 3.32Å; L185-E196 HydrophobicContact CD1-CB 4.05Å; L185-E196 HydrophobicContact CD2-CB 4.42Å; L185-E196 HydrophobicContact CG-CB 4.23Å; L185-R203 HydrophobicContact CD1-CG 4.08Å
186	D	93.2	Very high	93	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	128.8	171.7	-175.7	8.9	0	0	0	110.1	S188 W193 Y194	D186-S188 VanDerWaalsContact CG-OG 3.23Å; D186-S188 WeakPolarHBondContact OD1-CB 3.43Å; D186-S188 PolarHBondContact OD1-N 2.97Å; D186-S188 PolarHBondContact OD1-OG 2.99Å; D186-S188 PolarHBondContact OD2-OG 2.82Å; D186-W193 CarbonylContact O-C 3.55Å; D186-W193 WeakPolarHBondContact O-CA 3.47Å; D186-Y194 PolarHBondContact N-O 3.18Å; D186-Y194 PolarHBondContact O-N 3.23Å
187	N	92	Very high	93.1	Very high	72 Å²	72	48 Å²	48	39%	0.385	27%	0.267	S	S	.	.			trans	-117.3	11.7	177.3	66.4	8.2	0	0	0	113.5	I184 H189 W193	I184-N187 HydrophobicContact CG2-CB 3.95Å; N187-H189 VanDerWaalsContact C-N 3.3Å; N187-H189 PolarHBondContact O-N 2.84Å; N187-W193 VanDerWaalsContact CA-CD1 3.48Å; N187-W193 HydrophobicContact CB-CD2 4.13Å; N187-W193 HydrophobicContact CB-CG 4.15Å; N187-W193 HydrophobicContact CB-CZ2 4.29Å; N187-W193 PolarHBondContact O-NE1 3.07Å
188	S	89.3	Confident	93.2	Very high	93 Å²	93	47.6 Å²	47.6	65%	0.65	26%	0.264	S	S	*	.			trans	-61.2	-34.3	-176.3	64.5	0	0	0	0	113.7	D186	D186-S188 VanDerWaalsContact CG-OG 3.23Å; D186-S188 WeakPolarHBondContact OD1-CB 3.43Å; D186-S188 PolarHBondContact OD1-N 2.97Å; D186-S188 PolarHBondContact OD1-OG 2.99Å; D186-S188 PolarHBondContact OD2-OG 2.82Å
189	H	86.2	Confident	93.3	Very high	46 Å²	46	47.4 Å²	47.4	21%	0.213	27%	0.274	C	S	.	.	S	Bend	trans	-81.2	134.9	176.1	-178.3	-41.3	0	0	0	110.4	N187 D191 W192 W193 I336	N187-H189 VanDerWaalsContact C-N 3.3Å; N187-H189 PolarHBondContact O-N 2.84Å; H189-D191 PolarHBondContact ND1-N 3.11Å; H189-D191 PolarHBondContact O-N 3.41Å; H189-W192 VanDerWaalsContact CB-O 3.27Å; H189-W192 WeakPolarHBondContact CB-O 3.49Å; H189-W192 AromaticContact CE1-CD1 3.95Å; H189-W192 PolarHBondContact ND1-N 2.88Å; H189-W193 VanDerWaalsContact O-CD1 3.24Å; H189-W193 PolarHBondContact O-NE1 3.04Å; H189-I336 VanDerWaalsContact CE1-CD1 3.43Å; H189-I336 WeakPolarHBondContact CE1-CD1 3.27Å
190	C	83.1	Confident	93.4	Very high	72 Å²	72	48.6 Å²	48.6	49%	0.486	27%	0.272	S	S	.	.	S	Bend	trans	-62	-43.7	-168.4	48.7	0	0	0	0	115.7	K208	C190-K208 WeakPolarHBondContact O-CD 3.41Å; C190-K208 PolarHBondContact O-NZ 2.87Å; C190-K208 VanDerWaalsContact O-NZ 3.08Å
191	D	87.3	Confident	93.4	Very high	47 Å²	47	48.6 Å²	48.6	25%	0.251	28%	0.284	S	S	.	.	S	Bend	trans	-113.8	-11.7	-173.3	-54.6	-65.1	0	0	0	115.5	H189 K208 V329 I336	H189-D191 PolarHBondContact ND1-N 3.11Å; H189-D191 PolarHBondContact O-N 3.41Å; D191-K208 VanDerWaalsContact O-CB 3.27Å; D191-K208 WeakPolarHBondContact O-CB 3.27Å; D191-K208 PolarHBondContact O-N 3.43Å; D191-V329 HydrophobicContact CB-CB 3.75Å; D191-V329 HydrophobicContact CB-CG1 4.34Å; D191-V329 HydrophobicContact CB-CG2 4.01Å; D191-I336 HydrophobicContact CB-CD1 4.28Å
192	W	91.6	Very high	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.9	-179.2	-67.3	80.3	0	0	0	108.3	Y166 H189 Y205 V206 P207 P328 V329 H333	Y166-W192 HydrophobicContact CE2-CH2 4.25Å; Y166-W192 HydrophobicContact CE2-CZ3 4.5Å; Y166-W192 AromaticContact CZ-CZ3 3.92Å; Y166-W192 WeakPolarHBondContact OH-CH2 3.48Å; Y166-W192 WeakPolarHBondContact OH-CZ3 3.5Å; H189-W192 VanDerWaalsContact CB-O 3.27Å; H189-W192 WeakPolarHBondContact CB-O 3.49Å; H189-W192 AromaticContact CE1-CD1 3.95Å; H189-W192 PolarHBondContact ND1-N 2.88Å; W192-Y205 HydrophobicContact CB-CD1 4.4Å; W192-V206 WeakPolarHBondContact CA-O 3.42Å; W192-P207 HydrophobicContact CE3-CB 4.3Å; W192-P207 HydrophobicContact CH2-CB 4.31Å; W192-P207 HydrophobicContact CZ3-CB 4.17Å; W192-P207 HydrophobicContact CZ3-CG 4.4Å; W192-P328 HydrophobicContact CH2-CB 3.79Å; W192-P328 HydrophobicContact CH2-CG 4.38Å; W192-P328 HydrophobicContact CZ2-CB 3.52Å; W192-V329 PolarHBondContact NE1-O 3.4Å; W192-H333 HydrophobicContact CB-CB 3.62Å; W192-H333 HydrophobicContact CD2-CB 4.1Å; W192-H333 HydrophobicContact CG-CB 3.64Å
193	W	94.7	Very high	93.3	Very high	14 Å²	14	57.7 Å²	57.7	5%	0.053	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.4	-179.5	-69.6	-15.9	0	0	0	110.2	I154 F160 I184 D186 N187 H189 Y205 V206 K208 L211	I154-W193 HydrophobicContact CD1-CH2 3.57Å; I154-W193 HydrophobicContact CD1-CZ2 3.82Å; F160-W193 HydrophobicContact CD1-CZ3 4.18Å; F160-W193 HydrophobicContact CE1-CH2 4.37Å; F160-W193 AromaticContact CE1-CZ3 3.88Å; F160-W193 HydrophobicContact CE1-CZ3 3.88Å; F160-W193 HydrophobicContact CZ-CZ3 4.3Å; I184-W193 HydrophobicContact CD1-CE3 3.93Å; I184-W193 HydrophobicContact CG1-CE3 4.07Å; I184-W193 HydrophobicContact CG1-CZ3 4.43Å; I184-W193 HydrophobicContact CG2-CB 4.12Å; I184-W193 HydrophobicContact CG2-CD2 4.35Å; I184-W193 HydrophobicContact CG2-CE3 4.25Å; I184-W193 HydrophobicContact CG2-CG 4.36Å; D186-W193 CarbonylContact O-C 3.55Å; D186-W193 WeakPolarHBondContact O-CA 3.47Å; N187-W193 VanDerWaalsContact CA-CD1 3.48Å; N187-W193 HydrophobicContact CB-CD2 4.13Å; N187-W193 HydrophobicContact CB-CG 4.15Å; N187-W193 HydrophobicContact CB-CZ2 4.29Å; N187-W193 PolarHBondContact O-NE1 3.07Å; H189-W193 VanDerWaalsContact O-CD1 3.24Å; H189-W193 PolarHBondContact O-NE1 3.04Å; W193-Y205 CarbonylContact O-C 3.52Å; W193-Y205 WeakPolarHBondContact O-CA 3.4Å; W193-V206 HydrophobicContact CB-CG2 4.48Å; W193-V206 PolarHBondContact N-O 2.75Å; W193-V206 WeakPolarHBondContact O-CG2 3.37Å; W193-V206 PolarHBondContact O-N 2.98Å; W193-K208 HydrophobicContact CD2-CB 4.1Å; W193-K208 HydrophobicContact CD2-CD 4.36Å; W193-K208 HydrophobicContact CD2-CG 3.97Å; W193-K208 HydrophobicContact CE3-CB 4.43Å; W193-K208 HydrophobicContact CE3-CG 4.14Å; W193-K208 HydrophobicContact CG-CB 4.41Å; W193-K208 HydrophobicContact CH2-CD 4.18Å; W193-K208 HydrophobicContact CH2-CG 3.86Å; W193-K208 HydrophobicContact CZ2-CD 3.54Å; W193-K208 VanDerWaalsContact CZ2-CE 3.45Å; W193-K208 HydrophobicContact CZ2-CG 3.67Å; W193-K208 HydrophobicContact CZ3-CG 4.09Å; W193-L211 HydrophobicContact CE3-CD1 4.04Å
194	Y	95.3	Very high	93.3	Very high	81 Å²	81	55.2 Å²	55.2	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.2	171.7	-163.1	-109.1	0	0	0	108.4	L185 D186 R203 Y205	L185-Y194 HydrophobicContact CB-CD1 4.03Å; L185-Y194 HydrophobicContact CD1-CD1 4.04Å; L185-Y194 HydrophobicContact CD1-CE1 4.03Å; L185-Y194 PolarHBondContact N-O 3.32Å; D186-Y194 PolarHBondContact N-O 3.18Å; D186-Y194 PolarHBondContact O-N 3.23Å; Y194-R203 HydrophobicContact CE1-CB 4.2Å; Y194-Y205 HydrophobicContact CD2-CD1 4.25Å; Y194-Y205 AromaticContact CD2-CD2 3.84Å; Y194-Y205 HydrophobicContact CD2-CD2 3.84Å; Y194-Y205 HydrophobicContact CD2-CE1 4.19Å; Y194-Y205 AromaticContact CD2-CE2 3.78Å; Y194-Y205 HydrophobicContact CD2-CE2 3.78Å; Y194-Y205 HydrophobicContact CD2-CG 4.09Å; Y194-Y205 AromaticContact CD2-CZ 3.97Å; Y194-Y205 HydrophobicContact CE2-CD2 4.29Å; Y194-Y205 HydrophobicContact CE2-CE2 4.23Å
195	A	96.2	Very high	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.2	-170.5	0	0	0	0	0	112.4	F182 N183 I184 R203 G204 V206	F182-A195 HydrophobicContact CB-CB 4.29Å; F182-A195 HydrophobicContact CD1-CB 4.19Å; N183-A195 CarbonylContact O-C 3.56Å; N183-A195 VanDerWaalsContact O-CA 3.28Å; N183-A195 WeakPolarHBondContact O-CA 3.25Å; I184-A195 HydrophobicContact CD1-CB 3.93Å; A195-R203 VanDerWaalsContact O-CA 3.26Å; A195-R203 WeakPolarHBondContact O-CA 3.48Å; A195-G204 PolarHBondContact N-O 2.95Å; A195-G204 PolarHBondContact O-N 3.31Å; A195-G204 VanDerWaalsContact O-N 3.07Å; A195-V206 HydrophobicContact CB-CG1 4.46Å; A195-V206 HydrophobicContact CB-CG2 3.54Å
196	E	96.9	Very high	93.3	Very high	37 Å²	37	52.2 Å²	52.2	17%	0.173	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.6	171.7	-178.9	178	-104.4	0	0	109.4	F182 N183 L185 V198 N202 R203	F182-E196 CarbonylContact C-O 3.49Å; F182-E196 VanDerWaalsContact CA-O 3.25Å; F182-E196 WeakPolarHBondContact CA-O 3.41Å; N183-E196 HydrophobicContact CB-CB 4.41Å; N183-E196 PolarHBondContact N-O 3.14Å; N183-E196 PolarHBondContact ND2-OE2 2.97Å; N183-E196 PolarHBondContact O-N 3.33Å; L185-E196 HydrophobicContact CD1-CB 4.05Å; L185-E196 HydrophobicContact CD2-CB 4.42Å; L185-E196 HydrophobicContact CG-CB 4.23Å; E196-V198 PolarHBondContact O-N 2.92Å; E196-N202 WeakPolarHBondContact CA-O 3.5Å; E196-R203 HydrophobicContact CB-CG 3.98Å; E196-R203 HydrophobicContact CG-CG 4.01Å; E196-R203 IonicContact OE1-CZ 3.16Å; E196-R203 IonicContact OE1-NE 2.77Å; E196-R203 PolarHBondContact OE1-NE 2.75Å; E196-R203 IonicContact OE1-NH2 2.7Å; E196-R203 PolarHBondContact OE1-NH2 3.08Å
197	C	96.4	Very high	93.3	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.4	174.4	178.2	0	0	0	0	109.9	L174 F182 S199 T200 G201 N202	L174-C197 HydrophobicContact CD2-CB 4.1Å; F182-C197 HydrophobicContact CD1-CB 4.01Å; F182-C197 HydrophobicContact CE1-CB 3.65Å; F182-C197 HydrophobicContact CZ-CB 4.32Å; C197-S199 PolarHBondContact O-N 3.46Å; C197-S199 PolarHBondContact SG-OG 3.39Å; C197-S199 VanDerWaalsContact SG-OG 3.39Å; C197-T200 WeakPolarHBondContact CB-OG1 3.28Å; C197-T200 PolarHBondContact O-N 3.38Å; C197-T200 VanDerWaalsContact O-N 3.09Å; C197-T200 PolarHBondContact SG-OG1 3.1Å; C197-T200 VanDerWaalsContact SG-OG1 3.39Å; C197-G201 PolarHBondContact O-N 2.98Å; C197-N202 PolarHBondContact N-O 3.22Å
198	V	95.4	Very high	93.3	Very high	65 Å²	65	49.5 Å²	49.5	39%	0.394	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.3	-172.4	176.4	0	0	0	0	112.6	I181 N183 E196	I181-V198 HydrophobicContact CB-CB 4.29Å; I181-V198 HydrophobicContact CB-CG2 4.29Å; I181-V198 HydrophobicContact CG2-CB 4.42Å; I181-V198 HydrophobicContact CG2-CG2 3.94Å; I181-V198 WeakPolarHBondContact O-CB 3.15Å; I181-V198 WeakPolarHBondContact O-CG2 3.41Å; I181-V198 PolarHBondContact O-N 2.88Å; N183-V198 WeakPolarHBondContact OD1-CG2 3.23Å; E196-V198 PolarHBondContact O-N 2.92Å
199	S	94.8	Very high	93.3	Very high	87 Å²	87	47.7 Å²	47.7	61%	0.608	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.2	-178.7	56.5	0	0	0	0	114.6	C197	C197-S199 PolarHBondContact O-N 3.46Å; C197-S199 PolarHBondContact SG-OG 3.39Å; C197-S199 VanDerWaalsContact SG-OG 3.39Å
200	T	94.8	Very high	93.5	Very high	74 Å²	74	46 Å²	46	45%	0.454	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-13.9	-175.4	66	0	0	0	0	114.8	C197 N202	C197-T200 WeakPolarHBondContact CB-OG1 3.28Å; C197-T200 PolarHBondContact O-N 3.38Å; C197-T200 VanDerWaalsContact O-N 3.09Å; C197-T200 PolarHBondContact SG-OG1 3.1Å; C197-T200 VanDerWaalsContact SG-OG1 3.39Å; T200-N202 WeakPolarHBondContact CB-ND2 3.46Å; T200-N202 PolarHBondContact O-N 3.1Å; T200-N202 VanDerWaalsContact O-N 3.14Å; T200-N202 PolarHBondContact OG1-N 3.05Å; T200-N202 PolarHBondContact OG1-ND2 2.81Å; T200-N202 VanDerWaalsContact OG1-ND2 3.15Å
201	G	94.9	Very high	94	Very high	46 Å²	46	43.4 Å²	43.4	47%	0.474	23%	0.229	S	C	.	.			trans	68.8	-1.6	-173.3	0	0	0	0	0	114.6	C197	C197-G201 PolarHBondContact O-N 2.98Å
202	N	96	Very high	94.3	Very high	92 Å²	92	41.5 Å²	41.5	49%	0.492	22%	0.219	S	C	.	.			trans	-70.3	141.6	179.7	-70	-48.5	0	0	0	111	L174 E196 C197 T200	L174-N202 HydrophobicContact CD1-CB 3.66Å; L174-N202 WeakPolarHBondContact CD2-O 3.49Å; E196-N202 WeakPolarHBondContact CA-O 3.5Å; C197-N202 PolarHBondContact N-O 3.22Å; T200-N202 WeakPolarHBondContact CB-ND2 3.46Å; T200-N202 PolarHBondContact O-N 3.1Å; T200-N202 VanDerWaalsContact O-N 3.14Å; T200-N202 PolarHBondContact OG1-N 3.05Å; T200-N202 PolarHBondContact OG1-ND2 2.81Å; T200-N202 VanDerWaalsContact OG1-ND2 3.15Å
203	R	96.2	Very high	94.4	Very high	146 Å²	146	42.8 Å²	42.8	55%	0.551	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.2	-177.7	-61.3	178.5	179.6	-177.2	-3.1	111.5	L185 Y194 A195 E196	L185-R203 HydrophobicContact CD1-CG 4.08Å; Y194-R203 HydrophobicContact CE1-CB 4.2Å; A195-R203 VanDerWaalsContact O-CA 3.26Å; A195-R203 WeakPolarHBondContact O-CA 3.48Å; E196-R203 HydrophobicContact CB-CG 3.98Å; E196-R203 HydrophobicContact CG-CG 4.01Å; E196-R203 IonicContact OE1-CZ 3.16Å; E196-R203 IonicContact OE1-NE 2.77Å; E196-R203 PolarHBondContact OE1-NE 2.75Å; E196-R203 IonicContact OE1-NH2 2.7Å; E196-R203 PolarHBondContact OE1-NH2 3.08Å
204	G	95.8	Very high	94.3	Very high	2 Å²	2	45 Å²	45	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	178.8	177.9	0	0	0	0	0	112	D172 A195	D172-G204 CarbonylContact O-C 3.57Å; D172-G204 WeakPolarHBondContact O-CA 3.48Å; A195-G204 PolarHBondContact N-O 2.95Å; A195-G204 PolarHBondContact O-N 3.31Å; A195-G204 VanDerWaalsContact O-N 3.07Å
205	Y	95.2	Very high	93.9	Very high	55 Å²	55	47.6 Å²	47.6	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.9	174.5	-72.7	-84.4	0	0	0	111.8	D172 D173 L174 W192 W193 Y194 H333	D172-Y205 PolarHBondContact O-N 3.45Å; D173-Y205 CarbonylContact C-O 3.49Å; D173-Y205 WeakPolarHBondContact CA-O 3.27Å; L174-Y205 PolarHBondContact N-O 3.24Å; W192-Y205 HydrophobicContact CB-CD1 4.4Å; W193-Y205 CarbonylContact O-C 3.52Å; W193-Y205 WeakPolarHBondContact O-CA 3.4Å; Y194-Y205 HydrophobicContact CD2-CD1 4.25Å; Y194-Y205 AromaticContact CD2-CD2 3.84Å; Y194-Y205 HydrophobicContact CD2-CD2 3.84Å; Y194-Y205 HydrophobicContact CD2-CE1 4.19Å; Y194-Y205 AromaticContact CD2-CE2 3.78Å; Y194-Y205 HydrophobicContact CD2-CE2 3.78Å; Y194-Y205 HydrophobicContact CD2-CG 4.09Å; Y194-Y205 AromaticContact CD2-CZ 3.97Å; Y194-Y205 HydrophobicContact CE2-CD2 4.29Å; Y194-Y205 HydrophobicContact CE2-CE2 4.23Å; Y205-H333 HydrophobicContact CD1-CB 4.25Å; Y205-H333 AromaticContact CD1-CG 3.97Å; Y205-H333 AromaticContact CD2-CD2 3.98Å; Y205-H333 AromaticContact CD2-CE1 3.2Å; Y205-H333 WeakPolarHBondContact CD2-CE1 3.37Å; Y205-H333 AromaticContact CD2-CG 3.96Å; Y205-H333 AromaticContact CD2-ND1 3.49Å; Y205-H333 WeakPolarHBondContact CD2-ND1 3.41Å; Y205-H333 AromaticContact CD2-NE2 3.56Å; Y205-H333 AromaticContact CE2-CD2 3.77Å; Y205-H333 AromaticContact CE2-CE1 3.53Å; Y205-H333 AromaticContact CE2-NE2 3.36Å; Y205-H333 WeakPolarHBondContact CE2-NE2 3.29Å; Y205-H333 HydrophobicContact CG-CB 4.45Å; Y205-H333 AromaticContact CG-CE1 3.75Å; Y205-H333 AromaticContact CG-CG 3.82Å; Y205-H333 AromaticContact CG-ND1 3.52Å; Y205-H333 AromaticContact CZ-CD2 3.82Å; Y205-H333 AromaticContact CZ-NE2 3.87Å
206	V	94.5	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.2	175.9	-69.5	0	0	0	0	110	L174 M176 F182 W192 W193 A195 K208 L211	L174-V206 HydrophobicContact CB-CG1 3.86Å; L174-V206 HydrophobicContact CD2-CG1 4.36Å; L174-V206 HydrophobicContact CG-CG1 4.46Å; M176-V206 HydrophobicContact CG-CG1 3.82Å; M176-V206 HydrophobicContact SD-CB 3.72Å; M176-V206 HydrophobicContact SD-CG1 3.69Å; F182-V206 HydrophobicContact CE1-CG1 4.33Å; W192-V206 WeakPolarHBondContact CA-O 3.42Å; W193-V206 HydrophobicContact CB-CG2 4.48Å; W193-V206 PolarHBondContact N-O 2.75Å; W193-V206 WeakPolarHBondContact O-CG2 3.37Å; W193-V206 PolarHBondContact O-N 2.98Å; A195-V206 HydrophobicContact CB-CG1 4.46Å; A195-V206 HydrophobicContact CB-CG2 3.54Å; V206-K208 PolarHBondContact O-N 3.43Å; V206-L211 HydrophobicContact CG2-CD1 3.72Å
207	P	93	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.9	176.4	28.1	-34.4	0	0	0	110.6	Y166 M176 W192 N209 H210 P328	Y166-P207 HydrophobicContact CD1-CG 4.28Å; Y166-P207 HydrophobicContact CD2-CG 3.85Å; Y166-P207 HydrophobicContact CE2-CG 4.11Å; Y166-P207 HydrophobicContact CG-CG 3.96Å; M176-P207 HydrophobicContact SD-CG 4.33Å; W192-P207 HydrophobicContact CE3-CB 4.3Å; W192-P207 HydrophobicContact CH2-CB 4.31Å; W192-P207 HydrophobicContact CZ3-CB 4.17Å; W192-P207 HydrophobicContact CZ3-CG 4.4Å; P207-N209 PolarHBondContact O-N 3.46Å; P207-H210 HydrophobicContact CG-CB 4.03Å; P207-H210 WeakPolarHBondContact CG-ND1 3.32Å; P207-H210 WeakPolarHBondContact O-CB 3.15Å; P207-H210 PolarHBondContact O-N 3.35Å; P207-P328 HydrophobicContact CB-CB 3.85Å; P207-P328 HydrophobicContact CB-CG 3.99Å; P207-P328 HydrophobicContact CG-CB 4.47Å; P207-P328 HydrophobicContact CG-CG 4.09Å
208	K	92.1	Very high	93.2	Very high	81 Å²	81	52.7 Å²	52.7	35%	0.352	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-55.2	-38.3	-176.2	172.6	-173.6	174.5	-175.8	0	113	C190 D191 W193 V206 H210 L211	C190-K208 WeakPolarHBondContact O-CD 3.41Å; C190-K208 PolarHBondContact O-NZ 2.87Å; C190-K208 VanDerWaalsContact O-NZ 3.08Å; D191-K208 VanDerWaalsContact O-CB 3.27Å; D191-K208 WeakPolarHBondContact O-CB 3.27Å; D191-K208 PolarHBondContact O-N 3.43Å; W193-K208 HydrophobicContact CD2-CB 4.1Å; W193-K208 HydrophobicContact CD2-CD 4.36Å; W193-K208 HydrophobicContact CD2-CG 3.97Å; W193-K208 HydrophobicContact CE3-CB 4.43Å; W193-K208 HydrophobicContact CE3-CG 4.14Å; W193-K208 HydrophobicContact CG-CB 4.41Å; W193-K208 HydrophobicContact CH2-CD 4.18Å; W193-K208 HydrophobicContact CH2-CG 3.86Å; W193-K208 HydrophobicContact CZ2-CD 3.54Å; W193-K208 VanDerWaalsContact CZ2-CE 3.45Å; W193-K208 HydrophobicContact CZ2-CG 3.67Å; W193-K208 HydrophobicContact CZ3-CG 4.09Å; V206-K208 PolarHBondContact O-N 3.43Å; K208-H210 PolarHBondContact O-N 3.43Å; K208-L211 PolarHBondContact O-N 2.87Å
209	N	89	Confident	93	Very high	54 Å²	54	51 Å²	51	29%	0.289	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.9	-3	-179.4	67.7	-13.1	0	0	0	114.3	P207 E327	P207-N209 PolarHBondContact O-N 3.46Å; N209-E327 PolarHBondContact ND2-O 3.07Å
210	H	91.1	Very high	92.9	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.051	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-96.8	1.3	169.6	-66.7	51.1	0	0	0	112.7	A162 L163 M176 P207 K208 P326	A162-H210 WeakPolarHBondContact CA-O 3.23Å; L163-H210 PolarHBondContact N-O 2.73Å; M176-H210 HydrophobicContact CE-CB 3.81Å; M176-H210 HydrophobicContact SD-CB 4.3Å; P207-H210 HydrophobicContact CG-CB 4.03Å; P207-H210 WeakPolarHBondContact CG-ND1 3.32Å; P207-H210 WeakPolarHBondContact O-CB 3.15Å; P207-H210 PolarHBondContact O-N 3.35Å; K208-H210 PolarHBondContact O-N 3.43Å; H210-P326 PolarHBondContact CE1-O 3.19Å
211	L	93.3	Very high	92.7	Very high	18 Å²	18	50 Å²	50	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.6	-177.3	-66.5	173.1	0	0	0	111.7	F160 V161 M176 F182 I184 W193 V206 K208	F160-L211 HydrophobicContact CB-CB 4.31Å; F160-L211 HydrophobicContact CB-CD2 4.18Å; F160-L211 HydrophobicContact CD1-CB 4.26Å; V161-L211 WeakPolarHBondContact O-CA 3.04Å; M176-L211 HydrophobicContact CE-CD2 3.56Å; M176-L211 HydrophobicContact CE-CG 4.07Å; F182-L211 HydrophobicContact CD2-CD2 3.95Å; F182-L211 HydrophobicContact CG-CD2 4.38Å; I184-L211 HydrophobicContact CD1-CD1 3.81Å; W193-L211 HydrophobicContact CE3-CD1 4.04Å; V206-L211 HydrophobicContact CG2-CD1 3.72Å; K208-L211 PolarHBondContact O-N 2.87Å
212	A	93.2	Very high	92.7	Very high	6 Å²	6	48.7 Å²	48.7	5%	0.05	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.2	162.9	0	0	0	0	0	110	F160 V161 L163 V214 E218	F160-A212 CarbonylContact C-O 3.56Å; F160-A212 WeakPolarHBondContact CA-O 3.36Å; F160-A212 VanDerWaalsContact CD1-C 3.49Å; V161-A212 PolarHBondContact N-O 3.06Å; V161-A212 PolarHBondContact O-N 3.19Å; V161-A212 VanDerWaalsContact O-N 3.14Å; L163-A212 HydrophobicContact CD1-CB 4.19Å; L163-A212 HydrophobicContact CD2-CB 3.79Å; L163-A212 HydrophobicContact CG-CB 4.23Å; A212-V214 PolarHBondContact O-N 3.15Å; A212-E218 VanDerWaalsContact CB-C 3.44Å; A212-E218 HydrophobicContact CB-CB 3.63Å
213	A	93.9	Very high	92.6	Very high	27 Å²	27	44.9 Å²	44.9	22%	0.223	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.6	170.6	0	0	0	0	0	109.1	F160 T215 S216	F160-A213 HydrophobicContact CD1-CB 4.29Å; F160-A213 HydrophobicContact CE1-CB 3.94Å; F160-A213 HydrophobicContact CZ-CB 4.25Å; A213-T215 PolarHBondContact O-N 3.28Å; A213-T215 VanDerWaalsContact O-N 3.1Å; A213-S216 VanDerWaalsContact O-CB 3.25Å; A213-S216 WeakPolarHBondContact O-CB 3.25Å; A213-S216 PolarHBondContact O-N 2.93Å; A213-S216 PolarHBondContact O-OG 2.94Å
214	V	91.6	Very high	92.5	Very high	62 Å²	62	38.7 Å²	38.7	38%	0.376	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.7	-173.9	169.1	0	0	0	0	112.3	Q159 V161 I181 A212 S216 S219	Q159-V214 HydrophobicContact CB-CG2 4.04Å; Q159-V214 WeakPolarHBondContact O-CG2 3.21Å; Q159-V214 PolarHBondContact O-N 2.63Å; V161-V214 HydrophobicContact CB-CG2 4.15Å; I181-V214 HydrophobicContact CD1-CG2 3.83Å; A212-V214 PolarHBondContact O-N 3.15Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.92Å; V214-S219 PolarHBondContact O-OG 3.3Å
215	T	88	Confident	92.3	Very high	135 Å²	135	39.3 Å²	39.3	83%	0.828	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.3	-178.9	51.9	0	0	0	0	115.3	A213	A213-T215 PolarHBondContact O-N 3.28Å; A213-T215 VanDerWaalsContact O-N 3.1Å
216	S	91.3	Very high	92	Very high	24 Å²	24	45.2 Å²	45.2	17%	0.168	24%	0.241	C	C	.	.	S	Bend	trans	-79.4	177.1	-175.6	72.3	0	0	0	0	112.9	A213 V214 E218 S219 N220 Q299	A213-S216 VanDerWaalsContact O-CB 3.25Å; A213-S216 WeakPolarHBondContact O-CB 3.25Å; A213-S216 PolarHBondContact O-N 2.93Å; A213-S216 PolarHBondContact O-OG 2.94Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.92Å; S216-E218 VanDerWaalsContact CB-OE2 3.25Å; S216-E218 WeakPolarHBondContact CB-OE2 3.15Å; S216-E218 PolarHBondContact OG-N 2.8Å; S216-S219 PolarHBondContact O-OG 3.47Å; S216-S219 PolarHBondContact OG-N 2.94Å; S216-N220 PolarHBondContact O-ND2 3.39Å; S216-Q299 PolarHBondContact O-NE2 3.36Å
217	L	91.6	Very high	91.7	Very high	24 Å²	24	45.9 Å²	45.9	13%	0.126	25%	0.245	C	C	.	.	S	Bend	trans	-80.1	-33.3	169.1	-77.4	165.1	0	0	0	110.4	S219 N220 W222 Y223 Y258 I298	L217-S219 PolarHBondContact O-N 3.06Å; L217-S219 VanDerWaalsContact O-N 3.15Å; L217-N220 VanDerWaalsContact O-CB 3.3Å; L217-N220 WeakPolarHBondContact O-CB 3.3Å; L217-N220 PolarHBondContact O-N 3.5Å; L217-N220 PolarHBondContact O-ND2 3.01Å; L217-W222 HydrophobicContact CD2-CH2 4.2Å; L217-W222 HydrophobicContact CD2-CZ3 4.49Å; L217-Y223 HydrophobicContact CB-CD1 3.77Å; L217-Y223 HydrophobicContact CB-CD2 4.09Å; L217-Y223 HydrophobicContact CB-CE1 3.79Å; L217-Y223 HydrophobicContact CB-CE2 4.14Å; L217-Y223 HydrophobicContact CB-CG 3.88Å; L217-Y223 HydrophobicContact CD1-CE2 4.22Å; L217-Y223 WeakPolarHBondContact O-CB 3.31Å; L217-Y258 HydrophobicContact CD1-CE1 3.82Å; L217-Y258 WeakPolarHBondContact CD1-OH 3.27Å; L217-I298 HydrophobicContact CD1-CD1 4Å; L217-I298 HydrophobicContact CD2-CB 3.87Å; L217-I298 HydrophobicContact CD2-CD1 4.09Å; L217-I298 HydrophobicContact CD2-CG1 4.36Å; L217-I298 HydrophobicContact CD2-CG2 4.41Å
218	E	91	Very high	91.5	Very high	98 Å²	98	48.7 Å²	48.7	46%	0.458	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.5	179.3	-65.4	76.4	-177.2	0	0	113.1	L163 A212 S216 N220 Y223	L163-E218 WeakPolarHBondContact CD2-O 3.39Å; A212-E218 VanDerWaalsContact CB-C 3.44Å; A212-E218 HydrophobicContact CB-CB 3.63Å; S216-E218 VanDerWaalsContact CB-OE2 3.25Å; S216-E218 WeakPolarHBondContact CB-OE2 3.15Å; S216-E218 PolarHBondContact OG-N 2.8Å; E218-N220 PolarHBondContact O-N 3.45Å; E218-Y223 HydrophobicContact CG-CD1 4.32Å; E218-Y223 HydrophobicContact CG-CE1 4.02Å
219	S	91.5	Very high	91.3	Very high	30 Å²	30	46 Å²	46	21%	0.21	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.6	172.2	61.7	0	0	0	0	114.6	V214 S216 L217	V214-S219 PolarHBondContact O-OG 3.3Å; S216-S219 PolarHBondContact O-OG 3.47Å; S216-S219 PolarHBondContact OG-N 2.94Å; L217-S219 PolarHBondContact O-N 3.06Å; L217-S219 VanDerWaalsContact O-N 3.15Å
220	N	92.3	Very high	91	Very high	32 Å²	32	44.2 Å²	44.2	17%	0.171	24%	0.235	C	C	.	.	S	Bend	trans	-101.5	124.6	-173	-59.1	-97.6	0	0	0	110.4	S216 L217 E218 W222 Y223 Q299	S216-N220 PolarHBondContact O-ND2 3.39Å; L217-N220 VanDerWaalsContact O-CB 3.3Å; L217-N220 WeakPolarHBondContact O-CB 3.3Å; L217-N220 PolarHBondContact O-N 3.5Å; L217-N220 PolarHBondContact O-ND2 3.01Å; E218-N220 PolarHBondContact O-N 3.45Å; N220-W222 HydrophobicContact CB-CD2 3.9Å; N220-W222 VanDerWaalsContact CB-CE2 3.49Å; N220-W222 HydrophobicContact CB-CE3 4.32Å; N220-W222 HydrophobicContact CB-CG 4.45Å; N220-W222 HydrophobicContact CB-CH2 4.01Å; N220-W222 HydrophobicContact CB-CZ2 3.56Å; N220-W222 HydrophobicContact CB-CZ3 4.37Å; N220-W222 PolarHBondContact O-N 3.24Å; N220-W222 VanDerWaalsContact O-N 3.12Å; N220-W222 WeakPolarHBondContact OD1-CZ2 3.36Å; N220-Y223 WeakPolarHBondContact O-CB 3.4Å; N220-Y223 PolarHBondContact O-N 3.27Å; N220-Q299 PolarHBondContact ND2-NE2 2.99Å
221	E	90.8	Very high	90.8	Very high	107 Å²	107	45.3 Å²	45.3	50%	0.5	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.3	-174.4	-53	-167.6	-171.8	0	0	113.7	K178 Y223 P319 R322	K178-E221 WeakPolarHBondContact CE-OE1 3.41Å; K178-E221 IonicContact NZ-OE1 3.77Å; K178-E221 PolarHBondContact NZ-OE1 2.89Å; K178-E221 IonicContact NZ-OE2 2.87Å; K178-E221 PolarHBondContact NZ-OE2 2.91Å; E221-Y223 VanDerWaalsContact C-N 3.26Å; E221-Y223 PolarHBondContact O-N 2.96Å; E221-P319 HydrophobicContact CB-CB 4.24Å; E221-P319 HydrophobicContact CB-CG 4.36Å; E221-R322 PolarHBondContact O-NH2 2.87Å
222	W	94.5	Very high	90.7	Very high	18 Å²	18	44.4 Å²	44.4	7%	0.068	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.3	178.1	49.6	-103.9	0	0	0	114.1	L217 N220 F246 L247 V248 I298 Q299 V302 P319	L217-W222 HydrophobicContact CD2-CH2 4.2Å; L217-W222 HydrophobicContact CD2-CZ3 4.49Å; N220-W222 HydrophobicContact CB-CD2 3.9Å; N220-W222 VanDerWaalsContact CB-CE2 3.49Å; N220-W222 HydrophobicContact CB-CE3 4.32Å; N220-W222 HydrophobicContact CB-CG 4.45Å; N220-W222 HydrophobicContact CB-CH2 4.01Å; N220-W222 HydrophobicContact CB-CZ2 3.56Å; N220-W222 HydrophobicContact CB-CZ3 4.37Å; N220-W222 PolarHBondContact O-N 3.24Å; N220-W222 VanDerWaalsContact O-N 3.12Å; N220-W222 WeakPolarHBondContact OD1-CZ2 3.36Å; W222-F246 HydrophobicContact CB-CD2 4.19Å; W222-F246 HydrophobicContact CB-CE2 3.46Å; W222-F246 VanDerWaalsContact CB-CE2 3.46Å; W222-F246 HydrophobicContact CB-CZ 3.7Å; W222-F246 AromaticContact CD1-CZ 3.86Å; W222-F246 HydrophobicContact CD2-CE2 4.26Å; W222-F246 AromaticContact CG-CE2 3.67Å; W222-F246 HydrophobicContact CG-CE2 3.67Å; W222-F246 AromaticContact CG-CZ 3.83Å; W222-F246 HydrophobicContact CG-CZ 3.83Å; W222-L247 CarbonylContact O-C 3.55Å; W222-L247 WeakPolarHBondContact O-CA 3.47Å; W222-V248 HydrophobicContact CE3-CB 3.74Å; W222-V248 HydrophobicContact CE3-CG2 3.59Å; W222-V248 HydrophobicContact CZ3-CB 3.89Å; W222-V248 HydrophobicContact CZ3-CG1 4.44Å; W222-V248 HydrophobicContact CZ3-CG2 3.81Å; W222-V248 PolarHBondContact O-N 2.59Å; W222-I298 HydrophobicContact CH2-CB 4.44Å; W222-I298 HydrophobicContact CH2-CG2 3.86Å; W222-I298 HydrophobicContact CZ3-CG2 3.85Å; W222-Q299 HydrophobicContact CH2-CG 4.21Å; W222-Q299 HydrophobicContact CZ2-CB 4.45Å; W222-Q299 HydrophobicContact CZ2-CG 4.03Å; W222-V302 HydrophobicContact CD2-CG1 4.23Å; W222-V302 HydrophobicContact CD2-CG2 4.14Å; W222-V302 HydrophobicContact CE3-CG2 4.08Å; W222-V302 HydrophobicContact CG-CG1 4.41Å; W222-V302 HydrophobicContact CH2-CG2 3.94Å; W222-V302 HydrophobicContact CZ2-CB 4.09Å; W222-V302 HydrophobicContact CZ2-CG1 4.29Å; W222-V302 HydrophobicContact CZ2-CG2 3.96Å; W222-V302 HydrophobicContact CZ3-CG2 3.99Å; W222-P319 HydrophobicContact CB-CB 3.97Å; W222-P319 HydrophobicContact CB-CG 4.22Å
223	Y	95	Very high	90.6	Very high	13 Å²	13	45.7 Å²	45.7	5%	0.051	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-92.6	111.3	179.8	-179.6	-107.4	0	0	0	111.7	L217 E218 N220 E221 V248 Y258 R322	L217-Y223 HydrophobicContact CB-CD1 3.77Å; L217-Y223 HydrophobicContact CB-CD2 4.09Å; L217-Y223 HydrophobicContact CB-CE1 3.79Å; L217-Y223 HydrophobicContact CB-CE2 4.14Å; L217-Y223 HydrophobicContact CB-CG 3.88Å; L217-Y223 HydrophobicContact CD1-CE2 4.22Å; L217-Y223 WeakPolarHBondContact O-CB 3.31Å; E218-Y223 HydrophobicContact CG-CD1 4.32Å; E218-Y223 HydrophobicContact CG-CE1 4.02Å; N220-Y223 WeakPolarHBondContact O-CB 3.4Å; N220-Y223 PolarHBondContact O-N 3.27Å; E221-Y223 VanDerWaalsContact C-N 3.26Å; E221-Y223 PolarHBondContact O-N 2.96Å; Y223-V248 CarbonylContact C-O 3.57Å; Y223-V248 WeakPolarHBondContact CA-O 3.38Å; Y223-V248 HydrophobicContact CD2-CB 4.41Å; Y223-V248 HydrophobicContact CD2-CG1 4.28Å; Y223-Y258 AromaticContact CE2-CD1 3.93Å; Y223-Y258 HydrophobicContact CE2-CD1 3.93Å; Y223-Y258 AromaticContact CE2-CE1 3.75Å; Y223-Y258 HydrophobicContact CE2-CE1 3.75Å; Y223-R322 PolarHBondContact O-NH2 3.25Å
224	F	93	Very high	90.3	Very high	15 Å²	15	45.6 Å²	45.6	7%	0.066	24%	0.235	C	C	.	.			trans	-97.2	1	-174.7	-82	-117.8	0	0	0	114	L227 Y235 L247 V248 C320 R322	F224-L227 HydrophobicContact CB-CB 4.13Å; F224-L227 HydrophobicContact CB-CD2 3.84Å; F224-L227 HydrophobicContact CD1-CD2 3.77Å; F224-L227 HydrophobicContact CG-CD2 4.09Å; F224-Y235 HydrophobicContact CD1-CD2 4.07Å; F224-Y235 HydrophobicContact CD1-CE2 4.34Å; F224-Y235 AromaticContact CE1-CD2 3.8Å; F224-Y235 HydrophobicContact CE1-CD2 3.8Å; F224-Y235 HydrophobicContact CE1-CE2 4.32Å; F224-L247 HydrophobicContact CB-CD1 4.44Å; F224-L247 HydrophobicContact CD1-CD2 4.33Å; F224-L247 HydrophobicContact CD2-CB 3.56Å; F224-L247 HydrophobicContact CD2-CD2 4.31Å; F224-L247 HydrophobicContact CD2-CG 4.4Å; F224-L247 HydrophobicContact CE1-CD2 4.38Å; F224-L247 HydrophobicContact CE2-CB 3.81Å; F224-L247 HydrophobicContact CE2-CD2 4.4Å; F224-L247 HydrophobicContact CG-CB 4.2Å; F224-L247 HydrophobicContact CG-CD2 4.28Å; F224-L247 HydrophobicContact CZ-CD2 4.42Å; F224-V248 PolarHBondContact N-O 3.37Å; F224-C320 HydrophobicContact CE2-CB 4.11Å; F224-C320 HydrophobicContact CZ-CB 3.95Å; F224-R322 HydrophobicContact CD1-CG 4.47Å; F224-R322 HydrophobicContact CE1-CB 3.95Å; F224-R322 HydrophobicContact CE1-CG 3.72Å; F224-R322 HydrophobicContact CZ-CB 3.76Å; F224-R322 HydrophobicContact CZ-CG 4.03Å
225	G	91.9	Very high	90.3	Very high	15 Å²	15	43.8 Å²	43.8	16%	0.155	22%	0.222	C	C	.	.	S	Bend	trans	65.6	-134.3	177.4	0	0	0	0	0	112.6	L227 R249 I250	G225-L227 PolarHBondContact O-N 2.81Å; G225-L227 VanDerWaalsContact O-N 3.17Å; G225-R249 CarbonylContact O-C 3.58Å; G225-R249 WeakPolarHBondContact O-CA 3.45Å; G225-I250 PolarHBondContact O-N 2.7Å
226	E	89.3	Confident	90.5	Very high	179 Å²	179	37.4 Å²	37.4	84%	0.836	18%	0.183	S	C	*	.	S	Bend	trans	-72.1	100.7	169.3	-64.8	-175.9	-173.8	0	0	109.3	I250	E226-I250 HydrophobicContact CG-CD1 3.79Å
227	L	89.3	Confident	90.5	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.073	19%	0.193	C	C	.	.			trans	-135.8	129.3	174	-171.3	72.5	0	0	0	108.9	F224 G225 E231 A232 Y235 L247 R249	F224-L227 HydrophobicContact CB-CB 4.13Å; F224-L227 HydrophobicContact CB-CD2 3.84Å; F224-L227 HydrophobicContact CD1-CD2 3.77Å; F224-L227 HydrophobicContact CG-CD2 4.09Å; G225-L227 PolarHBondContact O-N 2.81Å; G225-L227 VanDerWaalsContact O-N 3.17Å; L227-E231 HydrophobicContact CD1-CB 3.58Å; L227-E231 HydrophobicContact CD1-CG 4.5Å; L227-E231 HydrophobicContact CG-CB 4Å; L227-A232 HydrophobicContact CD2-CB 3.78Å; L227-A232 HydrophobicContact CG-CB 4.46Å; L227-Y235 HydrophobicContact CD1-CD2 4.12Å; L227-Y235 HydrophobicContact CD1-CE2 3.46Å; L227-Y235 VanDerWaalsContact CD1-CE2 3.46Å; L227-Y235 HydrophobicContact CD2-CD2 4.01Å; L227-Y235 HydrophobicContact CD2-CE2 4.19Å; L227-Y235 HydrophobicContact CG-CE2 4.48Å; L227-L247 HydrophobicContact CD2-CD1 3.98Å; L227-L247 HydrophobicContact CD2-CD2 3.95Å; L227-R249 HydrophobicContact CB-CB 3.95Å; L227-R249 WeakPolarHBondContact O-CD 3.32Å; L227-R249 PolarHBondContact O-NH1 2.87Å
228	K	87.2	Confident	90.3	Very high	60 Å²	60	40.2 Å²	40.2	26%	0.261	19%	0.193	S	C	.	.			trans	-65.3	154.9	174.7	-66.8	-63.6	-166.9	128.7	0	111	I230 E231 A232 E252 E597 E601	K228-I230 HydrophobicContact CB-CG2 4.23Å; K228-I230 PolarHBondContact O-N 3.02Å; K228-E231 HydrophobicContact CB-CB 4.49Å; K228-E231 HydrophobicContact CB-CG 4.21Å; K228-E231 PolarHBondContact O-N 2.83Å; K228-A232 PolarHBondContact O-N 3.25Å; K228-E252 VanDerWaalsContact CA-OE2 3.28Å; K228-E252 WeakPolarHBondContact CA-OE2 3.39Å; K228-E252 HydrophobicContact CD-CG 3.89Å; K228-E252 WeakPolarHBondContact CD-OE2 3.45Å; K228-E597 WeakPolarHBondContact CE-OE1 3.44Å; K228-E597 IonicContact NZ-OE1 3.63Å; K228-E597 PolarHBondContact NZ-OE1 2.96Å; K228-E601 IonicContact NZ-OE1 2.73Å; K228-E601 PolarHBondContact NZ-OE1 2.72Å
229	R	87.9	Confident	90.1	Very high	23 Å²	23	41.3 Å²	41.3	9%	0.087	21%	0.209	C	C	.	.	H	α-helix	trans	-55.3	-46.6	176.8	-178.4	167.4	176.5	-178.7	-14.3	110.5	E231 A232 E233 R249 E252 H270 P605	R229-E231 PolarHBondContact O-N 3.03Å; R229-A232 WeakPolarHBondContact O-CB 3.38Å; R229-A232 PolarHBondContact O-N 2.79Å; R229-A232 VanDerWaalsContact O-N 3.16Å; R229-E233 IonicContact NE-OE1 3.06Å; R229-E233 IonicContact NH2-OE1 3.01Å; R229-E233 WeakPolarHBondContact O-CG 3.43Å; R229-E233 PolarHBondContact O-N 3.49Å; R229-R249 VanDerWaalsContact CA-NH2 3.32Å; R229-R249 VanDerWaalsContact CB-NH2 3.3Å; R229-E252 WeakPolarHBondContact CB-OE1 3.47Å; R229-E252 VanDerWaalsContact N-CD 3.27Å; R229-E252 PolarHBondContact N-OE1 2.85Å; R229-E252 PolarHBondContact N-OE2 3.27Å; R229-H270 PolarHBondContact NE-CD2 2.65Å; R229-H270 PolarHBondContact NE-NE2 3.47Å; R229-H270 PolarHBondContact NH2-CD2 3.01Å; R229-P605 VanDerWaalsContact CZ-O 3.22Å; R229-P605 PolarHBondContact NH1-O 3.34Å; R229-P605 PolarHBondContact NH2-O 3.18Å
230	I	84.1	Confident	90.1	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-39.2	-176.8	-163	128.8	0	0	0	113.2	K228 A232 E233 H234 Q441 C600	K228-I230 HydrophobicContact CB-CG2 4.23Å; K228-I230 PolarHBondContact O-N 3.02Å; I230-A232 VanDerWaalsContact C-N 3.3Å; I230-A232 PolarHBondContact O-N 2.92Å; I230-E233 PolarHBondContact O-N 3.09Å; I230-H234 WeakPolarHBondContact O-CB 3.03Å; I230-H234 PolarHBondContact O-N 2.92Å; I230-Q441 HydrophobicContact CD1-CG 3.27Å; I230-Q441 VanDerWaalsContact CD1-OE1 3.31Å; I230-Q441 HydrophobicContact CG1-CG 4.09Å; I230-C600 HydrophobicContact CB-CB 4.09Å; I230-C600 HydrophobicContact CD1-CB 3.53Å; I230-C600 WeakPolarHBondContact CD1-O 3.34Å; I230-C600 HydrophobicContact CG1-CB 4.25Å; I230-C600 HydrophobicContact CG2-CB 3.84Å
231	E	87	Confident	90.1	Very high	34 Å²	34	40.6 Å²	40.6	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-37	174.5	-63.5	-171.7	104.9	0	0	110.7	L227 K228 R229 H234 Y235 M445 K449	L227-E231 HydrophobicContact CD1-CB 3.58Å; L227-E231 HydrophobicContact CD1-CG 4.5Å; L227-E231 HydrophobicContact CG-CB 4Å; K228-E231 HydrophobicContact CB-CB 4.49Å; K228-E231 HydrophobicContact CB-CG 4.21Å; K228-E231 PolarHBondContact O-N 2.83Å; R229-E231 PolarHBondContact O-N 3.03Å; E231-H234 PolarHBondContact O-N 2.94Å; E231-Y235 HydrophobicContact CB-CE1 4.28Å; E231-Y235 VanDerWaalsContact O-CB 3.26Å; E231-Y235 WeakPolarHBondContact O-CB 3.32Å; E231-Y235 WeakPolarHBondContact O-CD1 3.34Å; E231-Y235 PolarHBondContact O-N 2.82Å; E231-Y235 PolarHBondContact OE1-OH 2.91Å; E231-M445 HydrophobicContact CG-SD 3.84Å; E231-K449 WeakPolarHBondContact OE1-CE 3.2Å; E231-K449 IonicContact OE1-NZ 3.68Å; E231-K449 PolarHBondContact OE1-NZ 3.42Å
232	A	91.6	Very high	90.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-42.5	172.2	0	0	0	0	0	113	L227 K228 R229 I230 L236 L247	L227-A232 HydrophobicContact CD2-CB 3.78Å; L227-A232 HydrophobicContact CG-CB 4.46Å; K228-A232 PolarHBondContact O-N 3.25Å; R229-A232 WeakPolarHBondContact O-CB 3.38Å; R229-A232 PolarHBondContact O-N 2.79Å; R229-A232 VanDerWaalsContact O-N 3.16Å; I230-A232 VanDerWaalsContact C-N 3.3Å; I230-A232 PolarHBondContact O-N 2.92Å; A232-L236 VanDerWaalsContact O-CB 3.29Å; A232-L236 WeakPolarHBondContact O-CB 3.24Å; A232-L236 WeakPolarHBondContact O-CD1 3.32Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.35Å; A232-L236 PolarHBondContact O-N 3.33Å; A232-L247 HydrophobicContact CB-CD1 3.82Å; A232-L247 HydrophobicContact CB-CD2 4.07Å; A232-L247 HydrophobicContact CB-CG 4.42Å
233	E	90.6	Very high	90.4	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-49.3	176.2	-66	-171.3	146.5	0	0	111	R229 I230 Y235 L236 Q237 V268 H270 Q604	R229-E233 IonicContact NE-OE1 3.06Å; R229-E233 IonicContact NH2-OE1 3.01Å; R229-E233 WeakPolarHBondContact O-CG 3.43Å; R229-E233 PolarHBondContact O-N 3.49Å; I230-E233 PolarHBondContact O-N 3.09Å; E233-Y235 PolarHBondContact O-N 2.98Å; E233-L236 PolarHBondContact O-N 3.18Å; E233-Q237 WeakPolarHBondContact O-CB 3.4Å; E233-Q237 WeakPolarHBondContact O-CG 3.39Å; E233-Q237 PolarHBondContact O-N 3.47Å; E233-V268 HydrophobicContact CB-CB 4.34Å; E233-V268 HydrophobicContact CB-CG2 4.37Å; E233-V268 HydrophobicContact CG-CB 3.89Å; E233-V268 HydrophobicContact CG-CG1 3.98Å; E233-V268 HydrophobicContact CG-CG2 4.46Å; E233-H270 VanDerWaalsContact CG-NE2 3.3Å; E233-H270 WeakPolarHBondContact CG-NE2 3.49Å; E233-H270 IonicContact OE1-CD2 3.91Å; E233-H270 IonicContact OE1-NE2 2.67Å; E233-H270 PolarHBondContact OE1-NE2 3.48Å; E233-Q604 PolarHBondContact OE1-OE1 3.47Å; E233-Q604 VanDerWaalsContact OE1-OE1 3.04Å; E233-Q604 PolarHBondContact OE2-NE2 2.89Å; E233-Q604 PolarHBondContact OE2-OE1 2.92Å
234	H	86.7	Confident	90.5	Very high	24 Å²	24	43.1 Å²	43.1	11%	0.111	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-50.7	177.3	-176.6	68.5	0	0	0	112.2	I230 E231 L236 Q237 L238 C442 M445 H478	I230-H234 WeakPolarHBondContact O-CB 3.03Å; I230-H234 PolarHBondContact O-N 2.92Å; E231-H234 PolarHBondContact O-N 2.94Å; H234-L236 VanDerWaalsContact C-N 3.33Å; H234-L236 PolarHBondContact O-N 3.47Å; H234-Q237 PolarHBondContact O-N 3.37Å; H234-Q237 VanDerWaalsContact O-N 3.08Å; H234-L238 PolarHBondContact O-N 2.91Å; H234-L238 VanDerWaalsContact O-N 3.07Å; H234-C442 VanDerWaalsContact CE1-SG 3.57Å; H234-M445 HydrophobicContact CB-CE 4.08Å; H234-H478 AromaticContact CE1-CE1 3.49Å; H234-H478 PolarHBondContact CE1-CE1 2.76Å; H234-H478 VanDerWaalsContact CE1-CE1 3.49Å; H234-H478 AromaticContact CE1-ND1 3.21Å; H234-H478 PolarHBondContact CE1-ND1 3.49Å; H234-H478 AromaticContact NE2-CE1 3.51Å; H234-H478 AromaticContact NE2-ND1 2.91Å; H234-H478 PolarHBondContact NE2-ND1 3.2Å
235	Y	91	Very high	90.8	Very high	25 Å²	25	42.4 Å²	42.4	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-42.7	-179.2	-67	1.4	0	0	0	111.2	F224 L227 E231 E233 Q237 L238 N241 P323	F224-Y235 HydrophobicContact CD1-CD2 4.07Å; F224-Y235 HydrophobicContact CD1-CE2 4.34Å; F224-Y235 AromaticContact CE1-CD2 3.8Å; F224-Y235 HydrophobicContact CE1-CD2 3.8Å; F224-Y235 HydrophobicContact CE1-CE2 4.32Å; L227-Y235 HydrophobicContact CD1-CD2 4.12Å; L227-Y235 HydrophobicContact CD1-CE2 3.46Å; L227-Y235 VanDerWaalsContact CD1-CE2 3.46Å; L227-Y235 HydrophobicContact CD2-CD2 4.01Å; L227-Y235 HydrophobicContact CD2-CE2 4.19Å; L227-Y235 HydrophobicContact CG-CE2 4.48Å; E231-Y235 HydrophobicContact CB-CE1 4.28Å; E231-Y235 VanDerWaalsContact O-CB 3.26Å; E231-Y235 WeakPolarHBondContact O-CB 3.32Å; E231-Y235 WeakPolarHBondContact O-CD1 3.34Å; E231-Y235 PolarHBondContact O-N 2.82Å; E231-Y235 PolarHBondContact OE1-OH 2.91Å; E233-Y235 PolarHBondContact O-N 2.98Å; Y235-Q237 VanDerWaalsContact C-N 3.29Å; Y235-Q237 PolarHBondContact O-N 2.82Å; Y235-L238 WeakPolarHBondContact O-CB 3.35Å; Y235-L238 PolarHBondContact O-N 2.86Å; Y235-N241 PolarHBondContact O-ND2 3.42Å; Y235-P323 HydrophobicContact CD1-CG 3.67Å; Y235-P323 HydrophobicContact CD2-CG 3.78Å; Y235-P323 HydrophobicContact CE1-CG 3.56Å; Y235-P323 HydrophobicContact CE2-CG 3.65Å; Y235-P323 HydrophobicContact CG-CG 3.8Å
236	L	93.5	Very high	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-32.3	176.1	-77.5	168.9	0	0	0	112.3	A232 E233 H234 N241 S245 L247 R263 V268 C320	A232-L236 VanDerWaalsContact O-CB 3.29Å; A232-L236 WeakPolarHBondContact O-CB 3.24Å; A232-L236 WeakPolarHBondContact O-CD1 3.32Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.35Å; A232-L236 PolarHBondContact O-N 3.33Å; E233-L236 PolarHBondContact O-N 3.18Å; H234-L236 VanDerWaalsContact C-N 3.33Å; H234-L236 PolarHBondContact O-N 3.47Å; L236-N241 WeakPolarHBondContact O-CB 3.19Å; L236-S245 VanDerWaalsContact CD2-O 3.32Å; L236-S245 WeakPolarHBondContact CD2-O 3.25Å; L236-L247 HydrophobicContact CD1-CD2 4.31Å; L236-L247 HydrophobicContact CD1-CG 4.36Å; L236-L247 HydrophobicContact CG-CD2 4.08Å; L236-R263 HydrophobicContact CB-CB 4.49Å; L236-R263 VanDerWaalsContact O-CD 3.29Å; L236-R263 WeakPolarHBondContact O-CD 3.32Å; L236-R263 PolarHBondContact O-NH1 3.13Å; L236-V268 HydrophobicContact CB-CG2 3.87Å; L236-V268 HydrophobicContact CD1-CG1 3.62Å; L236-V268 HydrophobicContact CD1-CG2 4.23Å; L236-C320 HydrophobicContact CD2-CB 3.7Å; L236-C320 HydrophobicContact CG-CB 4.43Å
237	Q	90.3	Very high	91.5	Very high	83 Å²	83	33.2 Å²	33.2	39%	0.388	18%	0.179	S	C	.	.	H	α-helix	trans	-77.1	-20	177.5	-75.8	173.3	-23.5	0	0	114.1	E233 H234 Y235 R263 N266 V268	E233-Q237 WeakPolarHBondContact O-CB 3.4Å; E233-Q237 WeakPolarHBondContact O-CG 3.39Å; E233-Q237 PolarHBondContact O-N 3.47Å; H234-Q237 PolarHBondContact O-N 3.37Å; H234-Q237 VanDerWaalsContact O-N 3.08Å; Y235-Q237 VanDerWaalsContact C-N 3.29Å; Y235-Q237 PolarHBondContact O-N 2.82Å; Q237-R263 PolarHBondContact O-NH1 3.47Å; Q237-R263 VanDerWaalsContact O-NH1 3.13Å; Q237-N266 PolarHBondContact NE2-O 3.02Å; Q237-V268 HydrophobicContact CG-CG2 4.34Å
238	L	87.6	Confident	91.8	Very high	24 Å²	24	32.5 Å²	32.5	13%	0.126	18%	0.175	C	C	.	.	S	Bend	trans	-52.5	149.4	178.3	-70.5	176.2	0	0	0	113.1	H234 Y235 N241 P323 Q477	H234-L238 PolarHBondContact O-N 2.91Å; H234-L238 VanDerWaalsContact O-N 3.07Å; Y235-L238 WeakPolarHBondContact O-CB 3.35Å; Y235-L238 PolarHBondContact O-N 2.86Å; L238-N241 PolarHBondContact O-N 2.77Å; L238-P323 HydrophobicContact CD1-CB 4.04Å; L238-Q477 HydrophobicContact CD1-CB 4.16Å; L238-Q477 HydrophobicContact CD1-CG 4.19Å
239	P	87.9	Confident	92.2	Very high	121 Å²	121	29.7 Å²	29.7	79%	0.786	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	141.5	174.1	-26.3	35.1	0	0	0	112.7
240	G	90.3	Very high	92.5	Very high	42 Å²	42	30.4 Å²	30.4	43%	0.433	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-11.1	-177.4	0	0	0	0	0	114.6	K318 I321	G240-K318 WeakPolarHBondContact O-CE 3.41Å; G240-K318 PolarHBondContact O-NZ 2.92Å; G240-I321 WeakPolarHBondContact O-CD1 3.48Å
241	N	93.8	Very high	92.9	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.032	16%	0.164	C	C	.	.			trans	-89.5	137.8	164.7	-69.2	-61.9	0	0	0	110.7	Y235 L236 L238 R263 C320 I321	Y235-N241 PolarHBondContact O-ND2 3.42Å; L236-N241 WeakPolarHBondContact O-CB 3.19Å; L238-N241 PolarHBondContact O-N 2.77Å; N241-R263 PolarHBondContact O-NH1 2.72Å; N241-C320 WeakPolarHBondContact OD1-CA 3.13Å; N241-I321 PolarHBondContact OD1-N 3.22Å
242	D	94.8	Very high	92.7	Very high	94 Å²	94	31.2 Å²	31.2	50%	0.503	17%	0.171	S	C	.	.			trans	-112.9	172.8	-178.1	-56.7	-51.6	0	0	0	111.8	G244 S245 K318	D242-G244 PolarHBondContact O-N 3.2Å; D242-S245 PolarHBondContact N-OG 3.19Å; D242-S245 WeakPolarHBondContact O-CB 2.93Å; D242-S245 PolarHBondContact O-N 3.34Å; D242-S245 PolarHBondContact O-OG 3.3Å; D242-K318 WeakPolarHBondContact OD2-CE 3.26Å; D242-K318 IonicContact OD2-NZ 2.78Å; D242-K318 PolarHBondContact OD2-NZ 2.69Å
243	H	96.5	Very high	92.1	Very high	95 Å²	95	34.6 Å²	34.6	44%	0.44	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	134	169.2	179.2	109.8	0	0	0	111	S245 E265 C314	H243-S245 VanDerWaalsContact C-N 3.3Å; H243-E265 PolarHBondContact ND1-N 2.9Å; H243-C314 WeakPolarHBondContact NE2-CB 3.36Å; H243-C314 PolarHBondContact NE2-SG 2.95Å; H243-C314 VanDerWaalsContact NE2-SG 3.45Å
244	G	97	Very high	91.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-8.4	-174.1	0	0	0	0	0	114.6	D242 R263 G317	D242-G244 PolarHBondContact O-N 3.2Å; G244-R263 PolarHBondContact N-O 3.18Å; G244-G317 PolarHBondContact O-N 3Å
245	S	97.8	Very high	91.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.			trans	-60.1	141.4	174.6	-52.9	0	0	0	0	110.5	L236 D242 H243 V262 R263 K318	L236-S245 VanDerWaalsContact CD2-O 3.32Å; L236-S245 WeakPolarHBondContact CD2-O 3.25Å; D242-S245 PolarHBondContact N-OG 3.19Å; D242-S245 WeakPolarHBondContact O-CB 2.93Å; D242-S245 PolarHBondContact O-N 3.34Å; D242-S245 PolarHBondContact O-OG 3.3Å; H243-S245 VanDerWaalsContact C-N 3.3Å; S245-V262 WeakPolarHBondContact O-CA 3.43Å; S245-R263 PolarHBondContact O-N 2.99Å; S245-K318 VanDerWaalsContact CA-O 3.27Å; S245-K318 WeakPolarHBondContact CA-O 3.31Å
246	F	98.3	Very high	91	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.1	-166.9	78.8	-77.4	0	0	0	114.5	W222 L260 S261 V262 V302 L306 L316 G317 K318 P319 C320	W222-F246 HydrophobicContact CB-CD2 4.19Å; W222-F246 HydrophobicContact CB-CE2 3.46Å; W222-F246 VanDerWaalsContact CB-CE2 3.46Å; W222-F246 HydrophobicContact CB-CZ 3.7Å; W222-F246 AromaticContact CD1-CZ 3.86Å; W222-F246 HydrophobicContact CD2-CE2 4.26Å; W222-F246 AromaticContact CG-CE2 3.67Å; W222-F246 HydrophobicContact CG-CE2 3.67Å; W222-F246 AromaticContact CG-CZ 3.83Å; W222-F246 HydrophobicContact CG-CZ 3.83Å; F246-L260 HydrophobicContact CB-CD1 4.21Å; F246-L260 HydrophobicContact CD2-CD1 3.7Å; F246-L260 HydrophobicContact CG-CD1 4.37Å; F246-S261 CarbonylContact C-O 3.48Å; F246-S261 WeakPolarHBondContact CA-O 3.48Å; F246-S261 WeakPolarHBondContact CB-O 3.48Å; F246-V262 HydrophobicContact CB-CG1 4.49Å; F246-V262 HydrophobicContact CB-CG2 4.26Å; F246-V302 HydrophobicContact CE2-CG1 3.56Å; F246-V302 HydrophobicContact CE2-CG2 4.31Å; F246-V302 HydrophobicContact CZ-CG1 3.6Å; F246-L306 HydrophobicContact CE1-CD2 3.87Å; F246-L306 HydrophobicContact CZ-CD2 4.25Å; F246-L316 HydrophobicContact CB-CD2 3.83Å; F246-L316 HydrophobicContact CD1-CB 3.84Å; F246-L316 HydrophobicContact CD1-CD1 4.42Å; F246-L316 HydrophobicContact CD1-CD2 4.42Å; F246-L316 HydrophobicContact CD1-CG 4.44Å; F246-L316 HydrophobicContact CD2-CD1 3.91Å; F246-L316 HydrophobicContact CD2-CD2 4.42Å; F246-L316 HydrophobicContact CE1-CB 4.1Å; F246-L316 HydrophobicContact CE2-CD1 4.02Å; F246-L316 HydrophobicContact CG-CB 4.2Å; F246-L316 HydrophobicContact CG-CD1 4.11Å; F246-L316 HydrophobicContact CG-CD2 3.97Å; F246-L316 HydrophobicContact CG-CG 4.3Å; F246-L316 HydrophobicContact CZ-CD1 4.35Å; F246-G317 WeakPolarHBondContact CE1-O 3.4Å; F246-K318 WeakPolarHBondContact CD1-O 3.29Å; F246-K318 PolarHBondContact N-O 2.75Å; F246-P319 HydrophobicContact CE1-CG 4.38Å; F246-P319 CarbonylContact O-C 3.28Å; F246-C320 WeakPolarHBondContact O-CB 3.26Å; F246-C320 PolarHBondContact O-N 2.64Å
247	L	97.7	Very high	90.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.2	168.2	61.9	87.3	0	0	0	111.3	W222 F224 L227 A232 L236 R249 L260 S261 C320	W222-L247 CarbonylContact O-C 3.55Å; W222-L247 WeakPolarHBondContact O-CA 3.47Å; F224-L247 HydrophobicContact CB-CD1 4.44Å; F224-L247 HydrophobicContact CD1-CD2 4.33Å; F224-L247 HydrophobicContact CD2-CB 3.56Å; F224-L247 HydrophobicContact CD2-CD2 4.31Å; F224-L247 HydrophobicContact CD2-CG 4.4Å; F224-L247 HydrophobicContact CE1-CD2 4.38Å; F224-L247 HydrophobicContact CE2-CB 3.81Å; F224-L247 HydrophobicContact CE2-CD2 4.4Å; F224-L247 HydrophobicContact CG-CB 4.2Å; F224-L247 HydrophobicContact CG-CD2 4.28Å; F224-L247 HydrophobicContact CZ-CD2 4.42Å; L227-L247 HydrophobicContact CD2-CD1 3.98Å; L227-L247 HydrophobicContact CD2-CD2 3.95Å; A232-L247 HydrophobicContact CB-CD1 3.82Å; A232-L247 HydrophobicContact CB-CD2 4.07Å; A232-L247 HydrophobicContact CB-CG 4.42Å; L236-L247 HydrophobicContact CD1-CD2 4.31Å; L236-L247 HydrophobicContact CD1-CG 4.36Å; L236-L247 HydrophobicContact CG-CD2 4.08Å; L247-R249 HydrophobicContact CD1-CB 4.14Å; L247-R249 HydrophobicContact CD1-CG 4.11Å; L247-L260 WeakPolarHBondContact O-CA 3.45Å; L247-S261 PolarHBondContact N-O 3.12Å; L247-S261 PolarHBondContact O-N 2.88Å; L247-C320 HydrophobicContact CB-CB 4.03Å; L247-C320 HydrophobicContact CD2-CB 3.92Å; L247-C320 HydrophobicContact CG-CB 4.46Å
248	V	97.4	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.3	169.4	-178.4	0	0	0	0	108.9	W222 Y223 F224 Y258 S259 L260 I273 I298 V302	W222-V248 HydrophobicContact CE3-CB 3.74Å; W222-V248 HydrophobicContact CE3-CG2 3.59Å; W222-V248 HydrophobicContact CZ3-CB 3.89Å; W222-V248 HydrophobicContact CZ3-CG1 4.44Å; W222-V248 HydrophobicContact CZ3-CG2 3.81Å; W222-V248 PolarHBondContact O-N 2.59Å; Y223-V248 CarbonylContact C-O 3.57Å; Y223-V248 WeakPolarHBondContact CA-O 3.38Å; Y223-V248 HydrophobicContact CD2-CB 4.41Å; Y223-V248 HydrophobicContact CD2-CG1 4.28Å; F224-V248 PolarHBondContact N-O 3.37Å; V248-Y258 HydrophobicContact CG1-CD1 4.45Å; V248-S259 WeakPolarHBondContact CA-O 3.32Å; V248-L260 HydrophobicContact CG2-CD1 4.03Å; V248-I273 HydrophobicContact CG1-CD1 3.83Å; V248-I273 HydrophobicContact CG2-CD1 4.23Å; V248-I298 HydrophobicContact CG1-CG2 4.25Å; V248-I298 HydrophobicContact CG2-CG2 4.47Å; V248-V302 HydrophobicContact CG2-CG2 3.99Å
249	R	95.6	Very high	91.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.7	-179.4	60.6	-166.6	-171.9	76.5	1.3	110.3	G225 L227 R229 L247 E252 Y258 S259 S261	G225-R249 CarbonylContact O-C 3.58Å; G225-R249 WeakPolarHBondContact O-CA 3.45Å; L227-R249 HydrophobicContact CB-CB 3.95Å; L227-R249 WeakPolarHBondContact O-CD 3.32Å; L227-R249 PolarHBondContact O-NH1 2.87Å; R229-R249 VanDerWaalsContact CA-NH2 3.32Å; R229-R249 VanDerWaalsContact CB-NH2 3.3Å; L247-R249 HydrophobicContact CD1-CB 4.14Å; L247-R249 HydrophobicContact CD1-CG 4.11Å; R249-E252 IonicContact CZ-OE1 2.71Å; R249-E252 VanDerWaalsContact CZ-OE1 3.29Å; R249-E252 IonicContact NH1-OE1 3.29Å; R249-E252 PolarHBondContact NH1-OE1 3.37Å; R249-E252 IonicContact NH2-OE1 2.63Å; R249-E252 PolarHBondContact NH2-OE1 3.29Å; R249-Y258 CarbonylContact O-C 3.55Å; R249-Y258 VanDerWaalsContact O-CA 3.29Å; R249-Y258 WeakPolarHBondContact O-CA 3.45Å; R249-Y258 WeakPolarHBondContact O-CB 3.47Å; R249-S259 PolarHBondContact N-O 3.12Å; R249-S259 PolarHBondContact O-N 2.86Å; R249-S261 PolarHBondContact NE-OG 3.1Å
250	I	94.1	Very high	92	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.195	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	142.4	169.9	-65.7	168	0	0	0	108.7	G225 E226 E252 Y258	G225-I250 PolarHBondContact O-N 2.7Å; E226-I250 HydrophobicContact CG-CD1 3.79Å; I250-E252 PolarHBondContact O-N 3.24Å; I250-Y258 HydrophobicContact CG1-CD1 4.26Å; I250-Y258 HydrophobicContact CG1-CE1 4.1Å
251	S	91	Very high	92.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.1	178.2	-166.5	0	0	0	0	110.7	S253 Q254 E257 S259	S251-S253 PolarHBondContact O-N 3.32Å; S251-S253 PolarHBondContact OG-OG 3.41Å; S251-S253 VanDerWaalsContact OG-OG 3.08Å; S251-Q254 CarbonylContact O-C 3.55Å; S251-Q254 PolarHBondContact O-N 3.25Å; S251-Q254 VanDerWaalsContact O-O 3.1Å; S251-E257 PolarHBondContact N-O 2.83Å; S251-S259 WeakPolarHBondContact CB-OG 3.42Å; S251-S259 PolarHBondContact OG-OG 3.24Å
252	E	82.6	Confident	92.5	Very high	68 Å²	68	33.5 Å²	33.5	32%	0.318	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-38.6	176.1	-65.7	137.3	-67.8	0	0	112.3	K228 R229 R249 I250 Q254	K228-E252 VanDerWaalsContact CA-OE2 3.28Å; K228-E252 WeakPolarHBondContact CA-OE2 3.39Å; K228-E252 HydrophobicContact CD-CG 3.89Å; K228-E252 WeakPolarHBondContact CD-OE2 3.45Å; R229-E252 WeakPolarHBondContact CB-OE1 3.47Å; R229-E252 VanDerWaalsContact N-CD 3.27Å; R229-E252 PolarHBondContact N-OE1 2.85Å; R229-E252 PolarHBondContact N-OE2 3.27Å; R249-E252 IonicContact CZ-OE1 2.71Å; R249-E252 VanDerWaalsContact CZ-OE1 3.29Å; R249-E252 IonicContact NH1-OE1 3.29Å; R249-E252 PolarHBondContact NH1-OE1 3.37Å; R249-E252 IonicContact NH2-OE1 2.63Å; R249-E252 PolarHBondContact NH2-OE1 3.29Å; I250-E252 PolarHBondContact O-N 3.24Å; E252-Q254 PolarHBondContact O-N 3.08Å
253	S	80	Confident	92.6	Very high	71 Å²	71	30.9 Å²	30.9	50%	0.497	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.2	-178.8	66	0	0	0	0	114.6	S251 R272	S251-S253 PolarHBondContact O-N 3.32Å; S251-S253 PolarHBondContact OG-OG 3.41Å; S251-S253 VanDerWaalsContact OG-OG 3.08Å; S253-R272 PolarHBondContact OG-NH1 3.13Å; S253-R272 PolarHBondContact OG-NH2 2.9Å
254	Q	82.7	Confident	92.5	Very high	91 Å²	91	28.7 Å²	28.7	43%	0.425	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	105.5	177.1	-62.1	-179.8	7.9	0	0	109.7	S251 E252 S256 E257 R272	S251-Q254 CarbonylContact O-C 3.55Å; S251-Q254 PolarHBondContact O-N 3.25Å; S251-Q254 VanDerWaalsContact O-O 3.1Å; E252-Q254 PolarHBondContact O-N 3.08Å; Q254-S256 PolarHBondContact O-N 3.47Å; Q254-E257 HydrophobicContact CB-CB 4.47Å; Q254-E257 PolarHBondContact O-N 2.87Å; Q254-E257 PolarHBondContact OE1-OE2 3.04Å; Q254-R272 VanDerWaalsContact CB-NH2 3.3Å
255	S	79.2	Confident	92.1	Very high	107 Å²	107	35 Å²	35	75%	0.748	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	-13.9	-176.8	53.8	0	0	0	0	115.6
256	S	82.5	Confident	91.6	Very high	73 Å²	73	41.1 Å²	41.1	51%	0.51	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-3.1	176.4	63.1	0	0	0	0	114.4	Q254	Q254-S256 PolarHBondContact O-N 3.47Å
257	E	91.4	Very high	91.3	Very high	18 Å²	18	44 Å²	44	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	167.5	179.5	-64.9	-160.5	141	0	0	111.8	S251 Q254 R272 R274 S275	S251-E257 PolarHBondContact N-O 2.83Å; Q254-E257 HydrophobicContact CB-CB 4.47Å; Q254-E257 PolarHBondContact O-N 2.87Å; Q254-E257 PolarHBondContact OE1-OE2 3.04Å; E257-R272 IonicContact OE2-CZ 2.7Å; E257-R272 IonicContact OE2-NE 2.8Å; E257-R272 PolarHBondContact OE2-NE 3.05Å; E257-R272 IonicContact OE2-NH2 3.19Å; E257-R272 PolarHBondContact OE2-NH2 3.2Å; E257-R274 WeakPolarHBondContact OE1-CA 3.34Å; E257-R274 VanDerWaalsContact OE1-CB 3.24Å; E257-R274 WeakPolarHBondContact OE1-CB 3.19Å; E257-R274 WeakPolarHBondContact OE1-CG 3.36Å; E257-S275 PolarHBondContact OE1-N 3.39Å
258	Y	95.7	Very high	91.1	Very high	46 Å²	46	44.6 Å²	44.6	18%	0.18	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	165.2	-176.4	-58.3	-95.3	0	0	0	111	L217 Y223 V248 R249 I250 I273 F287 I298	L217-Y258 HydrophobicContact CD1-CE1 3.82Å; L217-Y258 WeakPolarHBondContact CD1-OH 3.27Å; Y223-Y258 AromaticContact CE2-CD1 3.93Å; Y223-Y258 HydrophobicContact CE2-CD1 3.93Å; Y223-Y258 AromaticContact CE2-CE1 3.75Å; Y223-Y258 HydrophobicContact CE2-CE1 3.75Å; V248-Y258 HydrophobicContact CG1-CD1 4.45Å; R249-Y258 CarbonylContact O-C 3.55Å; R249-Y258 VanDerWaalsContact O-CA 3.29Å; R249-Y258 WeakPolarHBondContact O-CA 3.45Å; R249-Y258 WeakPolarHBondContact O-CB 3.47Å; I250-Y258 HydrophobicContact CG1-CD1 4.26Å; I250-Y258 HydrophobicContact CG1-CE1 4.1Å; Y258-I273 PolarHBondContact N-O 3.32Å; Y258-I273 PolarHBondContact O-N 2.85Å; Y258-F287 HydrophobicContact CD2-CE1 4.38Å; Y258-F287 HydrophobicContact CE2-CE1 4.1Å; Y258-I298 HydrophobicContact CD1-CD1 4Å; Y258-I298 HydrophobicContact CD2-CD1 3.38Å; Y258-I298 HydrophobicContact CE1-CD1 4.14Å; Y258-I298 HydrophobicContact CE2-CD1 3.56Å; Y258-I298 HydrophobicContact CG-CD1 3.62Å
259	S	96.3	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.5	178.4	-62.1	0	0	0	0	109.9	V248 R249 S251 Y271 Y607	V248-S259 WeakPolarHBondContact CA-O 3.32Å; R249-S259 PolarHBondContact N-O 3.12Å; R249-S259 PolarHBondContact O-N 2.86Å; S251-S259 WeakPolarHBondContact CB-OG 3.42Å; S251-S259 PolarHBondContact OG-OG 3.24Å; S259-Y271 WeakPolarHBondContact CA-O 3.31Å; S259-Y607 PolarHBondContact OG-OH 3.23Å
260	L	97.2	Very high	90.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.7	168.8	172.2	66.1	0	0	0	108	F246 L247 V248 V262 H270 Y271 I273 I289 L312 L316	F246-L260 HydrophobicContact CB-CD1 4.21Å; F246-L260 HydrophobicContact CD2-CD1 3.7Å; F246-L260 HydrophobicContact CG-CD1 4.37Å; L247-L260 WeakPolarHBondContact O-CA 3.45Å; V248-L260 HydrophobicContact CG2-CD1 4.03Å; L260-V262 HydrophobicContact CD1-CG2 4.1Å; L260-V262 HydrophobicContact CD2-CG2 4.13Å; L260-V262 HydrophobicContact CG-CG2 3.76Å; L260-H270 CarbonylContact O-C 3.44Å; L260-H270 WeakPolarHBondContact O-CA 3.42Å; L260-Y271 PolarHBondContact N-O 3.34Å; L260-Y271 PolarHBondContact O-N 3.47Å; L260-I273 HydrophobicContact CB-CD1 4.01Å; L260-I273 HydrophobicContact CB-CG1 4.25Å; L260-I289 HydrophobicContact CB-CD1 4.34Å; L260-I289 HydrophobicContact CD2-CD1 3.61Å; L260-L312 HydrophobicContact CD2-CD1 3.89Å; L260-L312 HydrophobicContact CD2-CD2 4.43Å; L260-L316 HydrophobicContact CD1-CD1 4.27Å; L260-L316 HydrophobicContact CD1-CD2 4.26Å; L260-L316 HydrophobicContact CD2-CD1 4.44Å; L260-L316 HydrophobicContact CD2-CD2 4.28Å
261	S	97.3	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	176.7	-46.7	0	0	0	0	108.2	F246 L247 R249 K269 H270	F246-S261 CarbonylContact C-O 3.48Å; F246-S261 WeakPolarHBondContact CA-O 3.48Å; F246-S261 WeakPolarHBondContact CB-O 3.48Å; L247-S261 PolarHBondContact N-O 3.12Å; L247-S261 PolarHBondContact O-N 2.88Å; R249-S261 PolarHBondContact NE-OG 3.1Å; S261-K269 CarbonylContact C-O 3.59Å; S261-K269 WeakPolarHBondContact CA-O 3.39Å; S261-H270 WeakPolarHBondContact CB-ND1 3.43Å; S261-H270 PolarHBondContact OG-CE1 2.85Å; S261-H270 PolarHBondContact OG-ND1 2.81Å
262	V	97.7	Very high	91.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.9	-171.4	-168.7	0	0	0	0	110.2	S245 F246 L260 E264 V268 K269 Y271 L316	S245-V262 WeakPolarHBondContact O-CA 3.43Å; F246-V262 HydrophobicContact CB-CG1 4.49Å; F246-V262 HydrophobicContact CB-CG2 4.26Å; L260-V262 HydrophobicContact CD1-CG2 4.1Å; L260-V262 HydrophobicContact CD2-CG2 4.13Å; L260-V262 HydrophobicContact CG-CG2 3.76Å; V262-E264 PolarHBondContact O-N 2.87Å; V262-V268 CarbonylContact O-C 3.5Å; V262-V268 WeakPolarHBondContact O-CA 3.31Å; V262-K269 PolarHBondContact N-O 3.1Å; V262-K269 PolarHBondContact O-N 3.39Å; V262-Y271 HydrophobicContact CG2-CD2 4.34Å; V262-Y271 HydrophobicContact CG2-CE2 4.45Å; V262-L316 HydrophobicContact CB-CD2 4.47Å; V262-L316 HydrophobicContact CG1-CD2 3.97Å; V262-L316 HydrophobicContact CG2-CD2 3.61Å
263	R	96.5	Very high	91.7	Very high	39 Å²	39	43.6 Å²	43.6	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.6	174.1	-176.6	170.1	-177.4	160.1	-5.9	111.2	L236 Q237 N241 G244 S245 E265	L236-R263 HydrophobicContact CB-CB 4.49Å; L236-R263 VanDerWaalsContact O-CD 3.29Å; L236-R263 WeakPolarHBondContact O-CD 3.32Å; L236-R263 PolarHBondContact O-NH1 3.13Å; Q237-R263 PolarHBondContact O-NH1 3.47Å; Q237-R263 VanDerWaalsContact O-NH1 3.13Å; N241-R263 PolarHBondContact O-NH1 2.72Å; G244-R263 PolarHBondContact N-O 3.18Å; S245-R263 PolarHBondContact O-N 2.99Å; R263-E265 WeakPolarHBondContact CG-O 3.35Å; R263-E265 PolarHBondContact NE-O 2.88Å
264	E	94.5	Very high	92.3	Very high	50 Å²	50	44.3 Å²	44.3	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	92.7	167.8	-175.9	177.7	-115.4	0	0	107.6	V262 N266 T267 K269 C313 R608	V262-E264 PolarHBondContact O-N 2.87Å; E264-N266 PolarHBondContact O-N 2.73Å; E264-N266 VanDerWaalsContact O-N 3.1Å; E264-T267 CarbonylContact C-O 3.56Å; E264-T267 PolarHBondContact N-O 2.83Å; E264-T267 PolarHBondContact O-N 2.94Å; E264-T267 VanDerWaalsContact O-O 3.08Å; E264-T267 PolarHBondContact O-OG1 2.84Å; E264-K269 HydrophobicContact CB-CG 4.12Å; E264-K269 WeakPolarHBondContact OE2-CE 3.35Å; E264-K269 IonicContact OE2-NZ 3.29Å; E264-C313 HydrophobicContact CB-CB 4.37Å; E264-C313 HydrophobicContact CG-CB 4.38Å; E264-C313 WeakPolarHBondContact OE1-CB 3.47Å; E264-R608 IonicContact OE2-NH1 3.72Å
265	E	89.3	Confident	92.7	Very high	133 Å²	133	41.3 Å²	41.3	62%	0.621	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	-104.8	-177.1	-55.5	179.8	167.4	0	0	113	H243 R263	H243-E265 PolarHBondContact ND1-N 2.9Å; R263-E265 WeakPolarHBondContact CG-O 3.35Å; R263-E265 PolarHBondContact NE-O 2.88Å
266	N	86.4	Confident	93.2	Very high	129 Å²	129	40.7 Å²	40.7	69%	0.69	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.2	178.7	-64.6	-23.9	0	0	0	112.9	Q237 E264	Q237-N266 PolarHBondContact NE2-O 3.02Å; E264-N266 PolarHBondContact O-N 2.73Å; E264-N266 VanDerWaalsContact O-N 3.1Å
267	T	91.2	Very high	93.4	Very high	61 Å²	61	44.2 Å²	44.2	37%	0.374	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	164.3	-179.9	72.9	0	0	0	0	111.1	E264 K269	E264-T267 CarbonylContact C-O 3.56Å; E264-T267 PolarHBondContact N-O 2.83Å; E264-T267 PolarHBondContact O-N 2.94Å; E264-T267 VanDerWaalsContact O-O 3.08Å; E264-T267 PolarHBondContact O-OG1 2.84Å; T267-K269 WeakPolarHBondContact OG1-CE 3.35Å; T267-K269 PolarHBondContact OG1-NZ 3Å
268	V	93.6	Very high	93	Very high	12 Å²	12	44.9 Å²	44.9	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.4	173.7	177.2	0	0	0	0	109.2	E233 L236 Q237 V262	E233-V268 HydrophobicContact CB-CB 4.34Å; E233-V268 HydrophobicContact CB-CG2 4.37Å; E233-V268 HydrophobicContact CG-CB 3.89Å; E233-V268 HydrophobicContact CG-CG1 3.98Å; E233-V268 HydrophobicContact CG-CG2 4.46Å; L236-V268 HydrophobicContact CB-CG2 3.87Å; L236-V268 HydrophobicContact CD1-CG1 3.62Å; L236-V268 HydrophobicContact CD1-CG2 4.23Å; Q237-V268 HydrophobicContact CG-CG2 4.34Å; V262-V268 CarbonylContact O-C 3.5Å; V262-V268 WeakPolarHBondContact O-CA 3.31Å
269	K	94.7	Very high	92.3	Very high	36 Å²	36	54.8 Å²	54.8	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.9	178	-54.9	-53	178.4	-145.9	0	109.7	S261 V262 E264 T267 Y271 C313	S261-K269 CarbonylContact C-O 3.59Å; S261-K269 WeakPolarHBondContact CA-O 3.39Å; V262-K269 PolarHBondContact N-O 3.1Å; V262-K269 PolarHBondContact O-N 3.39Å; E264-K269 HydrophobicContact CB-CG 4.12Å; E264-K269 WeakPolarHBondContact OE2-CE 3.35Å; E264-K269 IonicContact OE2-NZ 3.29Å; T267-K269 WeakPolarHBondContact OG1-CE 3.35Å; T267-K269 PolarHBondContact OG1-NZ 3Å; K269-Y271 HydrophobicContact CB-CE2 3.8Å; K269-C313 HydrophobicContact CG-CB 4.06Å
270	H	94.6	Very high	91.6	Very high	5 Å²	5	61 Å²	61	2%	0.023	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.8	-180	-54.5	-87.2	0	0	0	111.5	R229 E233 L260 S261 Y607 R608	R229-H270 PolarHBondContact NE-CD2 2.65Å; R229-H270 PolarHBondContact NE-NE2 3.47Å; R229-H270 PolarHBondContact NH2-CD2 3.01Å; E233-H270 VanDerWaalsContact CG-NE2 3.3Å; E233-H270 WeakPolarHBondContact CG-NE2 3.49Å; E233-H270 IonicContact OE1-CD2 3.91Å; E233-H270 IonicContact OE1-NE2 2.67Å; E233-H270 PolarHBondContact OE1-NE2 3.48Å; L260-H270 CarbonylContact O-C 3.44Å; L260-H270 WeakPolarHBondContact O-CA 3.42Å; S261-H270 WeakPolarHBondContact CB-ND1 3.43Å; S261-H270 PolarHBondContact OG-CE1 2.85Å; S261-H270 PolarHBondContact OG-ND1 2.81Å; H270-Y607 HydrophobicContact CB-CD1 3.79Å; H270-Y607 HydrophobicContact CB-CE1 3.82Å; H270-R608 PolarHBondContact O-N 2.86Å; H270-R608 VanDerWaalsContact O-N 3.11Å
271	Y	95.2	Very high	91	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.8	179.1	-62.4	-87.2	0	0	0	109.4	S259 L260 V262 K269 I273 I289 L312 C313 R608	S259-Y271 WeakPolarHBondContact CA-O 3.31Å; L260-Y271 PolarHBondContact N-O 3.34Å; L260-Y271 PolarHBondContact O-N 3.47Å; V262-Y271 HydrophobicContact CG2-CD2 4.34Å; V262-Y271 HydrophobicContact CG2-CE2 4.45Å; K269-Y271 HydrophobicContact CB-CE2 3.8Å; Y271-I273 PolarHBondContact O-N 2.94Å; Y271-I289 HydrophobicContact CD1-CG2 4.13Å; Y271-I289 HydrophobicContact CG-CG2 4.49Å; Y271-L312 HydrophobicContact CD1-CD2 3.66Å; Y271-L312 HydrophobicContact CD2-CD2 3.85Å; Y271-L312 HydrophobicContact CE1-CD2 3.77Å; Y271-L312 HydrophobicContact CE2-CD2 3.97Å; Y271-L312 HydrophobicContact CG-CD2 3.7Å; Y271-C313 WeakPolarHBondContact OH-CB 3.32Å; Y271-C313 PolarHBondContact OH-N 2.95Å; Y271-R608 HydrophobicContact CD1-CB 4.29Å; Y271-R608 HydrophobicContact CE1-CB 3.8Å
272	R	93.8	Very high	90.3	Very high	39 Å²	39	68.4 Å²	68.4	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.9	-178.6	-169.1	178.1	-177.8	98.4	34.9	109.9	S253 Q254 E257 R274 Y607	S253-R272 PolarHBondContact OG-NH1 3.13Å; S253-R272 PolarHBondContact OG-NH2 2.9Å; Q254-R272 VanDerWaalsContact CB-NH2 3.3Å; E257-R272 IonicContact OE2-CZ 2.7Å; E257-R272 IonicContact OE2-NE 2.8Å; E257-R272 PolarHBondContact OE2-NE 3.05Å; E257-R272 IonicContact OE2-NH2 3.19Å; E257-R272 PolarHBondContact OE2-NH2 3.2Å; R272-R274 HydrophobicContact CG-CG 4.03Å; R272-R274 PolarHBondContact O-N 3.02Å; R272-Y607 HydrophobicContact CB-CD1 4.01Å; R272-Y607 HydrophobicContact CB-CE1 4.44Å; R272-Y607 HydrophobicContact CB-CG 4.41Å
273	I	95.3	Very high	89.7	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	100.2	172.3	-59.7	164.6	0	0	0	107.3	V248 Y258 L260 Y271 F287 I289 I298 L301	V248-I273 HydrophobicContact CG1-CD1 3.83Å; V248-I273 HydrophobicContact CG2-CD1 4.23Å; Y258-I273 PolarHBondContact N-O 3.32Å; Y258-I273 PolarHBondContact O-N 2.85Å; L260-I273 HydrophobicContact CB-CD1 4.01Å; L260-I273 HydrophobicContact CB-CG1 4.25Å; Y271-I273 PolarHBondContact O-N 2.94Å; I273-F287 HydrophobicContact CG2-CB 4.17Å; I273-F287 HydrophobicContact CG2-CD1 4.35Å; I273-I289 HydrophobicContact CG1-CD1 4.17Å; I273-I289 HydrophobicContact CG1-CG1 3.92Å; I273-I298 HydrophobicContact CD1-CG2 4.35Å; I273-L301 HydrophobicContact CD1-CD2 4.22Å; I273-L301 HydrophobicContact CG1-CD1 4.36Å; I273-L301 HydrophobicContact CG1-CD2 4.36Å; I273-L301 HydrophobicContact CG2-CD1 3.83Å
274	R	93.8	Very high	89.1	Confident	87 Å²	87	75.5 Å²	75.5	33%	0.328	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	164.3	177.8	-57.7	-168.1	-162.5	-162.8	3.1	111	E257 R272 F287 Y288	E257-R274 WeakPolarHBondContact OE1-CA 3.34Å; E257-R274 VanDerWaalsContact OE1-CB 3.24Å; E257-R274 WeakPolarHBondContact OE1-CB 3.19Å; E257-R274 WeakPolarHBondContact OE1-CG 3.36Å; R272-R274 HydrophobicContact CG-CG 4.03Å; R272-R274 PolarHBondContact O-N 3.02Å; R274-F287 WeakPolarHBondContact O-CA 3.48Å; R274-Y288 HydrophobicContact CB-CD2 4.34Å; R274-Y288 HydrophobicContact CB-CE1 4.17Å; R274-Y288 HydrophobicContact CB-CE2 3.8Å; R274-Y288 HydrophobicContact CG-CE2 4.47Å; R274-Y288 PolarHBondContact N-O 2.78Å; R274-Y288 PolarHBondContact O-N 3.08Å
275	S	90.9	Very high	88.9	Confident	28 Å²	28	76.2 Å²	76.2	20%	0.196	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.2	175.1	66.8	0	0	0	0	113.3	E257 K285 R286	E257-S275 PolarHBondContact OE1-N 3.39Å; S275-K285 WeakPolarHBondContact OG-CE 3.28Å; S275-R286 CarbonylContact C-O 3.6Å; S275-R286 VanDerWaalsContact CA-O 3.25Å; S275-R286 WeakPolarHBondContact CA-O 3.43Å
276	R	89.8	Confident	89	Confident	94 Å²	94	73.8 Å²	73.8	36%	0.355	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.4	173.4	66.2	-174.7	-179.1	-159.3	-2.1	110.3	R286 Y288 R291	R276-R286 HydrophobicContact CG-CB 4.36Å; R276-R286 PolarHBondContact N-O 3.39Å; R276-R286 PolarHBondContact O-N 3.25Å; R276-Y288 HydrophobicContact CB-CE1 4.12Å; R276-Y288 HydrophobicContact CG-CD1 4.32Å; R276-Y288 HydrophobicContact CG-CE1 3.81Å; R276-R291 PolarHBondContact NH1-O 2.84Å; R276-R291 PolarHBondContact NH2-O 3.06Å
277	Y	87.4	Confident	89.4	Confident	147 Å²	147	68.9 Å²	68.9	58%	0.576	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	151	166.8	-66.7	-78.1	0	0	0	110.5	P282 L284 K285	Y277-P282 WeakPolarHBondContact CD1-O 3.37Å; Y277-L284 CarbonylContact C-O 3.46Å; Y277-K285 HydrophobicContact CD1-CB 4.27Å; Y277-K285 HydrophobicContact CE1-CB 4.18Å; Y277-K285 HydrophobicContact CE1-CD 4.45Å; Y277-K285 HydrophobicContact CE1-CG 4.44Å
278	S	81.6	Confident	89.6	Confident	32 Å²	32	66.6 Å²	66.6	22%	0.224	32%	0.317	C	S	.	.			trans	-68.4	143.2	174.4	-171.4	0	0	0	0	110.2	T280 D281 L284	S278-T280 PolarHBondContact O-N 3.17Å; S278-T280 PolarHBondContact OG-N 2.84Å; S278-T280 PolarHBondContact OG-OG1 2.77Å; S278-T280 VanDerWaalsContact OG-OG1 3.05Å; S278-D281 VanDerWaalsContact CB-O 3.32Å; S278-D281 WeakPolarHBondContact CB-O 3.11Å; S278-D281 CarbonylContact O-C 3.56Å; S278-L284 PolarHBondContact N-O 2.98Å
279	R	80.9	Confident	89.7	Confident	253 Å²	253	66.9 Å²	66.9	96%	0.955	32%	0.317	S	S	*	.	S	Bend	trans	-71.2	-21.9	173.7	-71.1	-179.3	173.4	167.2	-5.6	112.9
280	T	82.8	Confident	89.5	Confident	131 Å²	131	65.2 Å²	65.2	80%	0.804	31%	0.31	S	S	*	.	S	Bend	trans	-97.9	-18.2	-178.3	59.1	0	0	0	0	113.2	S278	S278-T280 PolarHBondContact O-N 3.17Å; S278-T280 PolarHBondContact OG-N 2.84Å; S278-T280 PolarHBondContact OG-OG1 2.77Å; S278-T280 VanDerWaalsContact OG-OG1 3.05Å
281	D	83.9	Confident	89.2	Confident	52 Å²	52	72.4 Å²	72.4	28%	0.278	34%	0.337	S	S	.	.			trans	-151	100.1	-176.9	-175.3	-18.9	0	0	0	109.1	S278 T283 L284	S278-D281 VanDerWaalsContact CB-O 3.32Å; S278-D281 WeakPolarHBondContact CB-O 3.11Å; S278-D281 CarbonylContact O-C 3.56Å; D281-T283 PolarHBondContact O-N 3.38Å; D281-T283 VanDerWaalsContact O-N 3.1Å; D281-T283 WeakPolarHBondContact OD1-CB 3.12Å; D281-T283 PolarHBondContact OD1-N 2.96Å; D281-T283 PolarHBondContact OD1-OG1 2.93Å; D281-T283 PolarHBondContact OD2-OG1 3.13Å; D281-L284 HydrophobicContact CB-CB 4.31Å; D281-L284 HydrophobicContact CB-CD1 3.97Å; D281-L284 HydrophobicContact CB-CG 4.12Å; D281-L284 PolarHBondContact O-N 3.07Å; D281-L284 VanDerWaalsContact O-N 3.1Å; D281-L284 WeakPolarHBondContact OD2-CD1 3.15Å; D281-L284 WeakPolarHBondContact OD2-CG 3.24Å
282	P	83	Confident	89	Confident	103 Å²	103	78.7 Å²	78.7	67%	0.669	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.4	179.5	-25.3	35.8	0	0	0	114.7	Y277	Y277-P282 WeakPolarHBondContact CD1-O 3.37Å
283	T	84	Confident	88.9	Confident	114 Å²	114	79.5 Å²	79.5	70%	0.699	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-26.5	176.6	75	0	0	0	0	112.2	D281 K285	D281-T283 PolarHBondContact O-N 3.38Å; D281-T283 VanDerWaalsContact O-N 3.1Å; D281-T283 WeakPolarHBondContact OD1-CB 3.12Å; D281-T283 PolarHBondContact OD1-N 2.96Å; D281-T283 PolarHBondContact OD1-OG1 2.93Å; D281-T283 PolarHBondContact OD2-OG1 3.13Å; T283-K285 PolarHBondContact O-N 3.4Å
284	L	84.7	Confident	88.8	Confident	74 Å²	74	81.7 Å²	81.7	39%	0.387	39%	0.388	S	S	.	.			trans	-87.2	106.5	-176.1	-67.3	179	0	0	0	112.1	Y277 S278 D281	Y277-L284 CarbonylContact C-O 3.46Å; S278-L284 PolarHBondContact N-O 2.98Å; D281-L284 HydrophobicContact CB-CB 4.31Å; D281-L284 HydrophobicContact CB-CD1 3.97Å; D281-L284 HydrophobicContact CB-CG 4.12Å; D281-L284 PolarHBondContact O-N 3.07Å; D281-L284 VanDerWaalsContact O-N 3.1Å; D281-L284 WeakPolarHBondContact OD2-CD1 3.15Å; D281-L284 WeakPolarHBondContact OD2-CG 3.24Å
285	K	89.8	Confident	88.9	Confident	66 Å²	66	78.6 Å²	78.6	29%	0.287	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.1	169.1	-165.4	169.5	178	178.3	0	110.2	S275 Y277 T283 F287	S275-K285 WeakPolarHBondContact OG-CE 3.28Å; Y277-K285 HydrophobicContact CD1-CB 4.27Å; Y277-K285 HydrophobicContact CE1-CB 4.18Å; Y277-K285 HydrophobicContact CE1-CD 4.45Å; Y277-K285 HydrophobicContact CE1-CG 4.44Å; T283-K285 PolarHBondContact O-N 3.4Å; K285-F287 HydrophobicContact CD-CZ 4.03Å; K285-F287 HydrophobicContact CG-CE2 4.29Å; K285-F287 HydrophobicContact CG-CZ 4.12Å
286	R	92.8	Very high	89	Confident	82 Å²	82	80.3 Å²	80.3	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.9	177	-65.1	-68.3	-175.1	137	-3.3	110.3	S275 R276 P294 F295	S275-R286 CarbonylContact C-O 3.6Å; S275-R286 VanDerWaalsContact CA-O 3.25Å; S275-R286 WeakPolarHBondContact CA-O 3.43Å; R276-R286 HydrophobicContact CG-CB 4.36Å; R276-R286 PolarHBondContact N-O 3.39Å; R276-R286 PolarHBondContact O-N 3.25Å; R286-P294 HydrophobicContact CB-CB 4.34Å; R286-F295 VanDerWaalsContact CA-O 3.29Å; R286-F295 WeakPolarHBondContact CA-O 3.49Å; R286-F295 VanDerWaalsContact CD-O 3.23Å; R286-F295 WeakPolarHBondContact CD-O 3.48Å
287	F	94.8	Very high	89.1	Confident	26 Å²	26	78.5 Å²	78.5	11%	0.114	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143	-176.1	-61.3	-92.7	0	0	0	111.1	Y258 I273 R274 K285 F295 I298 L301	Y258-F287 HydrophobicContact CD2-CE1 4.38Å; Y258-F287 HydrophobicContact CE2-CE1 4.1Å; I273-F287 HydrophobicContact CG2-CB 4.17Å; I273-F287 HydrophobicContact CG2-CD1 4.35Å; R274-F287 WeakPolarHBondContact O-CA 3.48Å; K285-F287 HydrophobicContact CD-CZ 4.03Å; K285-F287 HydrophobicContact CG-CE2 4.29Å; K285-F287 HydrophobicContact CG-CZ 4.12Å; F287-F295 PolarHBondContact N-O 3.05Å; F287-F295 PolarHBondContact O-N 3.01Å; F287-I298 HydrophobicContact CB-CG1 4.45Å; F287-I298 HydrophobicContact CD1-CD1 4.21Å; F287-I298 HydrophobicContact CD1-CG1 3.87Å; F287-I298 HydrophobicContact CD2-CG1 4.48Å; F287-I298 HydrophobicContact CE1-CD1 4.25Å; F287-I298 HydrophobicContact CE1-CG1 4.21Å; F287-I298 HydrophobicContact CG-CG1 4.01Å; F287-L301 HydrophobicContact CB-CD1 4.37Å
288	Y	95	Very high	89.5	Confident	13 Å²	13	71.7 Å²	71.7	5%	0.051	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	152.6	-177.9	63.9	-89.7	0	0	0	113.7	R274 R276 S290 R291	R274-Y288 HydrophobicContact CB-CD2 4.34Å; R274-Y288 HydrophobicContact CB-CE1 4.17Å; R274-Y288 HydrophobicContact CB-CE2 3.8Å; R274-Y288 HydrophobicContact CG-CE2 4.47Å; R274-Y288 PolarHBondContact N-O 2.78Å; R274-Y288 PolarHBondContact O-N 3.08Å; R276-Y288 HydrophobicContact CB-CE1 4.12Å; R276-Y288 HydrophobicContact CG-CD1 4.32Å; R276-Y288 HydrophobicContact CG-CE1 3.81Å; Y288-S290 WeakPolarHBondContact CB-O 3.37Å; Y288-R291 HydrophobicContact CD2-CG 4.15Å; Y288-R291 HydrophobicContact CE2-CB 4.41Å; Y288-R291 HydrophobicContact CE2-CG 3.54Å
289	I	94.7	Very high	90.1	Very high	17 Å²	17	72.1 Å²	72.1	9%	0.087	36%	0.356	C	S	.	.	S	Bend	trans	-97.8	-56.6	162.9	-64.6	171.6	0	0	0	108.9	L260 Y271 I273 L301 Y305 L312 A610	L260-I289 HydrophobicContact CB-CD1 4.34Å; L260-I289 HydrophobicContact CD2-CD1 3.61Å; Y271-I289 HydrophobicContact CD1-CG2 4.13Å; Y271-I289 HydrophobicContact CG-CG2 4.49Å; I273-I289 HydrophobicContact CG1-CD1 4.17Å; I273-I289 HydrophobicContact CG1-CG1 3.92Å; I289-L301 HydrophobicContact CD1-CD2 4.21Å; I289-L301 HydrophobicContact CG1-CD1 4.45Å; I289-Y305 HydrophobicContact CB-CE2 4.49Å; I289-Y305 HydrophobicContact CD1-CD2 4.38Å; I289-Y305 HydrophobicContact CD1-CE2 3.84Å; I289-Y305 HydrophobicContact CG1-CE2 4.43Å; I289-L312 HydrophobicContact CD1-CD2 4.11Å; I289-L312 HydrophobicContact CG2-CD2 4.5Å; I289-A610 HydrophobicContact CG2-CB 3.8Å
290	S	92	Very high	90.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.007	33%	0.33	C	S	.	.	S	Bend	trans	-88.4	134.6	166.6	172.9	0	0	0	0	111.2	Y288 Q292 L293 N611	Y288-S290 WeakPolarHBondContact CB-O 3.37Å; S290-Q292 PolarHBondContact O-N 2.9Å; S290-Q292 PolarHBondContact OG-N 3.04Å; S290-L293 PolarHBondContact O-N 2.78Å; S290-N611 PolarHBondContact OG-OD1 3.49Å; S290-N611 VanDerWaalsContact OG-OD1 3.13Å
291	R	88.1	Confident	91.4	Very high	157 Å²	157	58 Å²	58	59%	0.592	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.2	177.6	-74.2	-177.3	-179.6	-120.4	3.1	113.9	R276 Y288	R276-R291 PolarHBondContact NH1-O 2.84Å; R276-R291 PolarHBondContact NH2-O 3.06Å; Y288-R291 HydrophobicContact CD2-CG 4.15Å; Y288-R291 HydrophobicContact CE2-CB 4.41Å; Y288-R291 HydrophobicContact CE2-CG 3.54Å
292	Q	90.2	Very high	92	Very high	137 Å²	137	55.5 Å²	55.5	64%	0.64	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.9	178.3	-66.1	175.2	-17.8	0	0	112.9	S290 P294 I614	S290-Q292 PolarHBondContact O-N 2.9Å; S290-Q292 PolarHBondContact OG-N 3.04Å; Q292-P294 WeakPolarHBondContact O-CD 3.4Å; Q292-I614 VanDerWaalsContact OE1-CD1 3.24Å
293	L	92.3	Very high	92.7	Very high	55 Å²	55	54.8 Å²	54.8	29%	0.288	27%	0.269	S	S	.	.			trans	-128.7	81.7	-172.5	-166.3	67.1	0	0	0	112	S290 F295 H304	S290-L293 PolarHBondContact O-N 2.78Å; L293-F295 HydrophobicContact CD1-CZ 4.34Å; L293-F295 HydrophobicContact CD2-CE2 4.04Å; L293-F295 HydrophobicContact CD2-CZ 3.62Å; L293-F295 HydrophobicContact CG-CE1 4.39Å; L293-F295 HydrophobicContact CG-CE2 3.82Å; L293-F295 HydrophobicContact CG-CZ 3.55Å; L293-F295 WeakPolarHBondContact O-CE2 3.41Å; L293-H304 WeakPolarHBondContact CD2-NE2 3.19Å
294	P	93.4	Very high	93.3	Very high	47 Å²	47	51.4 Å²	51.4	31%	0.305	25%	0.245	S	C	.	.			trans	-94	130.4	-179.4	36.2	-34.6	0	0	0	113.9	R286 Q292	R286-P294 HydrophobicContact CB-CB 4.34Å; Q292-P294 WeakPolarHBondContact O-CD 3.4Å
295	F	94.8	Very high	93.9	Very high	21 Å²	21	47.9 Å²	47.9	9%	0.092	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-103.7	160.1	179.4	-57.6	-83.5	0	0	0	112.2	R286 F287 L293 N297 Q300 L301 H304 Y305	R286-F295 VanDerWaalsContact CA-O 3.29Å; R286-F295 WeakPolarHBondContact CA-O 3.49Å; R286-F295 VanDerWaalsContact CD-O 3.23Å; R286-F295 WeakPolarHBondContact CD-O 3.48Å; F287-F295 PolarHBondContact N-O 3.05Å; F287-F295 PolarHBondContact O-N 3.01Å; L293-F295 HydrophobicContact CD1-CZ 4.34Å; L293-F295 HydrophobicContact CD2-CE2 4.04Å; L293-F295 HydrophobicContact CD2-CZ 3.62Å; L293-F295 HydrophobicContact CG-CE1 4.39Å; L293-F295 HydrophobicContact CG-CE2 3.82Å; L293-F295 HydrophobicContact CG-CZ 3.55Å; L293-F295 WeakPolarHBondContact O-CE2 3.41Å; F295-N297 WeakPolarHBondContact CB-O 3.39Å; F295-Q300 HydrophobicContact CB-CB 4.16Å; F295-Q300 HydrophobicContact CD1-CB 4.09Å; F295-L301 HydrophobicContact CB-CB 4.04Å; F295-L301 HydrophobicContact CD1-CB 4.49Å; F295-L301 HydrophobicContact CD2-CB 3.49Å; F295-L301 VanDerWaalsContact CD2-CB 3.49Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 3.63Å; F295-L301 HydrophobicContact CE2-CB 4.01Å; F295-L301 HydrophobicContact CE2-CD1 4.28Å; F295-L301 HydrophobicContact CE2-CG 3.83Å; F295-L301 HydrophobicContact CG-CB 3.74Å; F295-L301 HydrophobicContact CG-CG 4.4Å; F295-H304 HydrophobicContact CD1-CB 4.49Å; F295-H304 HydrophobicContact CE1-CB 3.4Å; F295-H304 VanDerWaalsContact CE1-CB 3.4Å; F295-H304 AromaticContact CE1-CG 3.73Å; F295-H304 HydrophobicContact CZ-CB 3.49Å; F295-H304 VanDerWaalsContact CZ-CB 3.49Å; F295-H304 AromaticContact CZ-CD2 3.93Å; F295-H304 AromaticContact CZ-CG 3.5Å; F295-Y305 HydrophobicContact CE2-CE2 4.31Å
296	V	92.5	Very high	94.2	Very high	64 Å²	64	47.5 Å²	47.5	39%	0.388	23%	0.227	S	C	.	.	S	Bend	trans	-73.2	-40.1	177	-175.5	0	0	0	0	110.9	Q300	V296-Q300 VanDerWaalsContact CB-OE1 3.25Å; V296-Q300 VanDerWaalsContact N-OE1 3.15Å
297	N	92.5	Very high	94.4	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	24%	0.243	S	C	.	.	S	Bend	trans	-141.8	176.1	178	61.6	24.2	0	0	0	110.7	F295 Q299 Q300 L301	F295-N297 WeakPolarHBondContact CB-O 3.39Å; N297-Q299 PolarHBondContact OD1-N 3.28Å; N297-Q300 WeakPolarHBondContact OD1-CB 3.49Å; N297-Q300 VanDerWaalsContact OD1-CG 3.31Å; N297-Q300 WeakPolarHBondContact OD1-CG 3.01Å; N297-Q300 PolarHBondContact OD1-N 3.49Å; N297-L301 PolarHBondContact O-N 2.99Å
298	I	95.2	Very high	94.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-73.8	-30.8	-177.9	-57.9	178.8	0	0	0	111	L217 W222 V248 Y258 I273 F287 Q300 L301 V302	L217-I298 HydrophobicContact CD1-CD1 4Å; L217-I298 HydrophobicContact CD2-CB 3.87Å; L217-I298 HydrophobicContact CD2-CD1 4.09Å; L217-I298 HydrophobicContact CD2-CG1 4.36Å; L217-I298 HydrophobicContact CD2-CG2 4.41Å; W222-I298 HydrophobicContact CH2-CB 4.44Å; W222-I298 HydrophobicContact CH2-CG2 3.86Å; W222-I298 HydrophobicContact CZ3-CG2 3.85Å; V248-I298 HydrophobicContact CG1-CG2 4.25Å; V248-I298 HydrophobicContact CG2-CG2 4.47Å; Y258-I298 HydrophobicContact CD1-CD1 4Å; Y258-I298 HydrophobicContact CD2-CD1 3.38Å; Y258-I298 HydrophobicContact CE1-CD1 4.14Å; Y258-I298 HydrophobicContact CE2-CD1 3.56Å; Y258-I298 HydrophobicContact CG-CD1 3.62Å; I273-I298 HydrophobicContact CD1-CG2 4.35Å; F287-I298 HydrophobicContact CB-CG1 4.45Å; F287-I298 HydrophobicContact CD1-CD1 4.21Å; F287-I298 HydrophobicContact CD1-CG1 3.87Å; F287-I298 HydrophobicContact CD2-CG1 4.48Å; F287-I298 HydrophobicContact CE1-CD1 4.25Å; F287-I298 HydrophobicContact CE1-CG1 4.21Å; F287-I298 HydrophobicContact CG-CG1 4.01Å; I298-Q300 PolarHBondContact O-N 3.34Å; I298-L301 WeakPolarHBondContact O-CB 3.22Å; I298-L301 PolarHBondContact O-N 3.32Å; I298-L301 VanDerWaalsContact O-N 3.13Å; I298-V302 HydrophobicContact CG2-CG2 4.25Å; I298-V302 WeakPolarHBondContact O-CG2 3.4Å; I298-V302 PolarHBondContact O-N 2.99Å
299	Q	94.5	Very high	94.3	Very high	42 Å²	42	56.1 Å²	56.1	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-46.2	176.2	-64	81.9	-8.6	0	0	111.2	S216 N220 W222 N297 L301 V302 N303	S216-Q299 PolarHBondContact O-NE2 3.36Å; N220-Q299 PolarHBondContact ND2-NE2 2.99Å; W222-Q299 HydrophobicContact CH2-CG 4.21Å; W222-Q299 HydrophobicContact CZ2-CB 4.45Å; W222-Q299 HydrophobicContact CZ2-CG 4.03Å; N297-Q299 PolarHBondContact OD1-N 3.28Å; Q299-L301 VanDerWaalsContact C-N 3.35Å; Q299-L301 PolarHBondContact O-N 2.93Å; Q299-V302 PolarHBondContact O-N 3.3Å; Q299-N303 WeakPolarHBondContact O-CB 3.25Å; Q299-N303 PolarHBondContact O-N 3.49Å; Q299-N303 PolarHBondContact O-OD1 3.26Å
300	Q	95	Very high	94.2	Very high	87 Å²	87	57.4 Å²	57.4	41%	0.407	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-37.6	173.7	-75.2	177.9	-2.8	0	0	112.9	F295 V296 N297 I298 H304	F295-Q300 HydrophobicContact CB-CB 4.16Å; F295-Q300 HydrophobicContact CD1-CB 4.09Å; V296-Q300 VanDerWaalsContact CB-OE1 3.25Å; V296-Q300 VanDerWaalsContact N-OE1 3.15Å; N297-Q300 WeakPolarHBondContact OD1-CB 3.49Å; N297-Q300 VanDerWaalsContact OD1-CG 3.31Å; N297-Q300 WeakPolarHBondContact OD1-CG 3.01Å; N297-Q300 PolarHBondContact OD1-N 3.49Å; I298-Q300 PolarHBondContact O-N 3.34Å; Q300-H304 PolarHBondContact O-N 2.99Å
301	L	96.9	Very high	94.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-46.9	175.1	-177.9	155.8	0	0	0	110.8	I273 F287 I289 F295 N297 I298 Q299 H304 Y305	I273-L301 HydrophobicContact CD1-CD2 4.22Å; I273-L301 HydrophobicContact CG1-CD1 4.36Å; I273-L301 HydrophobicContact CG1-CD2 4.36Å; I273-L301 HydrophobicContact CG2-CD1 3.83Å; F287-L301 HydrophobicContact CB-CD1 4.37Å; I289-L301 HydrophobicContact CD1-CD2 4.21Å; I289-L301 HydrophobicContact CG1-CD1 4.45Å; F295-L301 HydrophobicContact CB-CB 4.04Å; F295-L301 HydrophobicContact CD1-CB 4.49Å; F295-L301 HydrophobicContact CD2-CB 3.49Å; F295-L301 VanDerWaalsContact CD2-CB 3.49Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 3.63Å; F295-L301 HydrophobicContact CE2-CB 4.01Å; F295-L301 HydrophobicContact CE2-CD1 4.28Å; F295-L301 HydrophobicContact CE2-CG 3.83Å; F295-L301 HydrophobicContact CG-CB 3.74Å; F295-L301 HydrophobicContact CG-CG 4.4Å; N297-L301 PolarHBondContact O-N 2.99Å; I298-L301 WeakPolarHBondContact O-CB 3.22Å; I298-L301 PolarHBondContact O-N 3.32Å; I298-L301 VanDerWaalsContact O-N 3.13Å; Q299-L301 VanDerWaalsContact C-N 3.35Å; Q299-L301 PolarHBondContact O-N 2.93Å; L301-H304 PolarHBondContact O-N 3.4Å; L301-Y305 HydrophobicContact CD2-CD2 3.78Å; L301-Y305 HydrophobicContact CD2-CE2 4.04Å; L301-Y305 HydrophobicContact CG-CD2 4.08Å; L301-Y305 HydrophobicContact CG-CE2 4.05Å; L301-Y305 WeakPolarHBondContact O-CD2 3.49Å; L301-Y305 PolarHBondContact O-N 3.25Å
302	V	96.9	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-46.5	177.9	170.2	0	0	0	0	111	W222 F246 V248 I298 Q299 H304 Y305 L306 L316	W222-V302 HydrophobicContact CD2-CG1 4.23Å; W222-V302 HydrophobicContact CD2-CG2 4.14Å; W222-V302 HydrophobicContact CE3-CG2 4.08Å; W222-V302 HydrophobicContact CG-CG1 4.41Å; W222-V302 HydrophobicContact CH2-CG2 3.94Å; W222-V302 HydrophobicContact CZ2-CB 4.09Å; W222-V302 HydrophobicContact CZ2-CG1 4.29Å; W222-V302 HydrophobicContact CZ2-CG2 3.96Å; W222-V302 HydrophobicContact CZ3-CG2 3.99Å; F246-V302 HydrophobicContact CE2-CG1 3.56Å; F246-V302 HydrophobicContact CE2-CG2 4.31Å; F246-V302 HydrophobicContact CZ-CG1 3.6Å; V248-V302 HydrophobicContact CG2-CG2 3.99Å; I298-V302 HydrophobicContact CG2-CG2 4.25Å; I298-V302 WeakPolarHBondContact O-CG2 3.4Å; I298-V302 PolarHBondContact O-N 2.99Å; Q299-V302 PolarHBondContact O-N 3.3Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-H304 PolarHBondContact O-N 2.81Å; V302-Y305 CarbonylContact O-C 3.54Å; V302-Y305 PolarHBondContact O-N 2.69Å; V302-Y305 VanDerWaalsContact O-N 3.1Å; V302-L306 HydrophobicContact CG1-CD1 3.84Å; V302-L306 HydrophobicContact CG1-CG 4.25Å; V302-L306 WeakPolarHBondContact O-CG 3.37Å; V302-L306 PolarHBondContact O-N 2.78Å; V302-L316 HydrophobicContact CG1-CD1 4.45Å
303	N	96	Very high	94.6	Very high	88 Å²	88	45.2 Å²	45.2	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-57.9	-43.6	177.7	-69.1	-1.7	0	0	0	112.2	Q299 Y305 L306 E307	Q299-N303 WeakPolarHBondContact O-CB 3.25Å; Q299-N303 PolarHBondContact O-N 3.49Å; Q299-N303 PolarHBondContact O-OD1 3.26Å; N303-Y305 VanDerWaalsContact C-N 3.34Å; N303-Y305 PolarHBondContact O-N 3.29Å; N303-L306 WeakPolarHBondContact O-CB 3.33Å; N303-L306 PolarHBondContact O-N 2.98Å; N303-E307 PolarHBondContact O-N 2.78Å
304	H	97.3	Very high	94.7	Very high	42 Å²	42	43 Å²	43	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-45.3	174.7	177.8	92.2	0	0	0	112.2	L293 F295 Q300 L301 V302 L306 E307 N308 S310	L293-H304 WeakPolarHBondContact CD2-NE2 3.19Å; F295-H304 HydrophobicContact CD1-CB 4.49Å; F295-H304 HydrophobicContact CE1-CB 3.4Å; F295-H304 VanDerWaalsContact CE1-CB 3.4Å; F295-H304 AromaticContact CE1-CG 3.73Å; F295-H304 HydrophobicContact CZ-CB 3.49Å; F295-H304 VanDerWaalsContact CZ-CB 3.49Å; F295-H304 AromaticContact CZ-CD2 3.93Å; F295-H304 AromaticContact CZ-CG 3.5Å; Q300-H304 PolarHBondContact O-N 2.99Å; L301-H304 PolarHBondContact O-N 3.4Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-H304 PolarHBondContact O-N 2.81Å; H304-L306 VanDerWaalsContact C-N 3.35Å; H304-E307 PolarHBondContact O-N 2.79Å; H304-N308 WeakPolarHBondContact O-CB 3.41Å; H304-N308 PolarHBondContact O-N 3.28Å; H304-N308 PolarHBondContact O-ND2 3.1Å; H304-S310 PolarHBondContact NE2-OG 3.44Å
305	Y	97.6	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-78.6	-15.6	-177.3	-75.4	-64.6	0	0	0	114.2	I289 F295 L301 V302 N303 N308 L312 R315 L316	I289-Y305 HydrophobicContact CB-CE2 4.49Å; I289-Y305 HydrophobicContact CD1-CD2 4.38Å; I289-Y305 HydrophobicContact CD1-CE2 3.84Å; I289-Y305 HydrophobicContact CG1-CE2 4.43Å; F295-Y305 HydrophobicContact CE2-CE2 4.31Å; L301-Y305 HydrophobicContact CD2-CD2 3.78Å; L301-Y305 HydrophobicContact CD2-CE2 4.04Å; L301-Y305 HydrophobicContact CG-CD2 4.08Å; L301-Y305 HydrophobicContact CG-CE2 4.05Å; L301-Y305 WeakPolarHBondContact O-CD2 3.49Å; L301-Y305 PolarHBondContact O-N 3.25Å; V302-Y305 CarbonylContact O-C 3.54Å; V302-Y305 PolarHBondContact O-N 2.69Å; V302-Y305 VanDerWaalsContact O-N 3.1Å; N303-Y305 VanDerWaalsContact C-N 3.34Å; N303-Y305 PolarHBondContact O-N 3.29Å; Y305-N308 WeakPolarHBondContact CA-O 3.39Å; Y305-L312 HydrophobicContact CD1-CD1 3.36Å; Y305-L312 HydrophobicContact CD1-CD2 4.44Å; Y305-L312 HydrophobicContact CD1-CG 3.59Å; Y305-L312 HydrophobicContact CD2-CD1 4.35Å; Y305-L312 HydrophobicContact CE1-CD1 3.85Å; Y305-L312 HydrophobicContact CE1-CD2 4.09Å; Y305-L312 HydrophobicContact CE1-CG 3.58Å; Y305-L312 HydrophobicContact CG-CD1 3.64Å; Y305-L312 HydrophobicContact CG-CG 4.32Å; Y305-R315 WeakPolarHBondContact O-CG 3.47Å; Y305-L316 WeakPolarHBondContact O-CG 3.22Å; Y305-L316 PolarHBondContact O-N 3.27Å
306	L	96.6	Very high	95.1	Very high	59 Å²	59	47.3 Å²	47.3	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-70.6	-31.5	165.1	-77.2	165.5	0	0	0	112.2	F246 V302 N303 H304 R315 L316 G317	F246-L306 HydrophobicContact CE1-CD2 3.87Å; F246-L306 HydrophobicContact CZ-CD2 4.25Å; V302-L306 HydrophobicContact CG1-CD1 3.84Å; V302-L306 HydrophobicContact CG1-CG 4.25Å; V302-L306 WeakPolarHBondContact O-CG 3.37Å; V302-L306 PolarHBondContact O-N 2.78Å; N303-L306 WeakPolarHBondContact O-CB 3.33Å; N303-L306 PolarHBondContact O-N 2.98Å; H304-L306 VanDerWaalsContact C-N 3.35Å; L306-R315 WeakPolarHBondContact O-CD 3.36Å; L306-R315 VanDerWaalsContact O-CG 3.24Å; L306-R315 WeakPolarHBondContact O-CG 3.29Å; L306-L316 HydrophobicContact CD2-CB 3.8Å; L306-L316 HydrophobicContact CG-CB 4.14Å; L306-G317 WeakPolarHBondContact CD2-O 3.48Å
307	E	96.1	Very high	95.3	Very high	139 Å²	139	45.8 Å²	45.8	65%	0.65	24%	0.236	S	C	*	.	H	α-helix	trans	-90.4	-36.7	178.1	-68.3	174.5	-175.1	0	0	112.4	N303 H304 R315	N303-E307 PolarHBondContact O-N 2.78Å; H304-E307 PolarHBondContact O-N 2.79Å; E307-R315 VanDerWaalsContact C-CD 3.47Å; E307-R315 WeakPolarHBondContact O-CD 3.45Å
308	N	95.4	Very high	95.4	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	24%	0.24	S	C	.	.			trans	-131.4	137.8	-167.5	-57.8	-87.1	0	0	0	112.4	H304 Y305	H304-N308 WeakPolarHBondContact O-CB 3.41Å; H304-N308 PolarHBondContact O-N 3.28Å; H304-N308 PolarHBondContact O-ND2 3.1Å; Y305-N308 WeakPolarHBondContact CA-O 3.39Å
309	Q	93.3	Very high	95.5	Very high	95 Å²	95	49 Å²	49	44%	0.444	25%	0.251	S	S	.	.			trans	-68.4	-42.4	175.4	-179.1	177.3	2.4	0	0	112.8	G311 L312 C313	Q309-G311 VanDerWaalsContact C-N 3.26Å; Q309-G311 PolarHBondContact O-N 2.86Å; Q309-L312 VanDerWaalsContact CG-O 3.26Å; Q309-L312 WeakPolarHBondContact CG-O 3.49Å; Q309-L312 PolarHBondContact NE2-O 3.39Å; Q309-L312 WeakPolarHBondContact O-CB 3.45Å; Q309-L312 WeakPolarHBondContact O-CG 3.33Å; Q309-L312 PolarHBondContact O-N 2.93Å; Q309-C313 PolarHBondContact NE2-O 3.12Å
310	S	92.2	Very high	95.5	Very high	45 Å²	45	47.2 Å²	47.2	32%	0.315	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.8	46.2	174.1	-64	0	0	0	0	116.1	H304	H304-S310 PolarHBondContact NE2-OG 3.44Å
311	G	90.3	Very high	95.3	Very high	14 Å²	14	47 Å²	47	14%	0.144	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	0.1	177	0	0	0	0	0	116.5	Q309	Q309-G311 VanDerWaalsContact C-N 3.26Å; Q309-G311 PolarHBondContact O-N 2.86Å
312	L	94.4	Very high	94.7	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.258	C	S	.	.	S	Bend	trans	-73.8	167.1	166.3	-58.3	-172.4	0	0	0	111.4	L260 Y271 I289 Y305 Q309 C314 L316	L260-L312 HydrophobicContact CD2-CD1 3.89Å; L260-L312 HydrophobicContact CD2-CD2 4.43Å; Y271-L312 HydrophobicContact CD1-CD2 3.66Å; Y271-L312 HydrophobicContact CD2-CD2 3.85Å; Y271-L312 HydrophobicContact CE1-CD2 3.77Å; Y271-L312 HydrophobicContact CE2-CD2 3.97Å; Y271-L312 HydrophobicContact CG-CD2 3.7Å; I289-L312 HydrophobicContact CD1-CD2 4.11Å; I289-L312 HydrophobicContact CG2-CD2 4.5Å; Y305-L312 HydrophobicContact CD1-CD1 3.36Å; Y305-L312 HydrophobicContact CD1-CD2 4.44Å; Y305-L312 HydrophobicContact CD1-CG 3.59Å; Y305-L312 HydrophobicContact CD2-CD1 4.35Å; Y305-L312 HydrophobicContact CE1-CD1 3.85Å; Y305-L312 HydrophobicContact CE1-CD2 4.09Å; Y305-L312 HydrophobicContact CE1-CG 3.58Å; Y305-L312 HydrophobicContact CG-CD1 3.64Å; Y305-L312 HydrophobicContact CG-CG 4.32Å; Q309-L312 VanDerWaalsContact CG-O 3.26Å; Q309-L312 WeakPolarHBondContact CG-O 3.49Å; Q309-L312 PolarHBondContact NE2-O 3.39Å; Q309-L312 WeakPolarHBondContact O-CB 3.45Å; Q309-L312 WeakPolarHBondContact O-CG 3.33Å; Q309-L312 PolarHBondContact O-N 2.93Å; L312-C314 WeakPolarHBondContact CB-O 3.47Å; L312-C314 PolarHBondContact O-N 2.99Å; L312-L316 HydrophobicContact CD1-CD2 4.02Å; L312-L316 HydrophobicContact CD1-CG 4.35Å
313	C	93.7	Very high	93.5	Very high	21 Å²	21	50.8 Å²	50.8	14%	0.142	26%	0.26	C	S	.	.	S	Bend	trans	-55.2	-42.5	172.5	45.9	0	0	0	0	111.9	E264 K269 Y271 Q309	E264-C313 HydrophobicContact CB-CB 4.37Å; E264-C313 HydrophobicContact CG-CB 4.38Å; E264-C313 WeakPolarHBondContact OE1-CB 3.47Å; K269-C313 HydrophobicContact CG-CB 4.06Å; Y271-C313 WeakPolarHBondContact OH-CB 3.32Å; Y271-C313 PolarHBondContact OH-N 2.95Å; Q309-C313 PolarHBondContact NE2-O 3.12Å
314	C	95.3	Very high	92.1	Very high	10 Å²	10	49.8 Å²	49.8	7%	0.068	26%	0.257	C	S	.	.	S	Bend	trans	-152	167.5	177	52.4	0	0	0	0	109.7	H243 L312	H243-C314 WeakPolarHBondContact NE2-CB 3.36Å; H243-C314 PolarHBondContact NE2-SG 2.95Å; H243-C314 VanDerWaalsContact NE2-SG 3.45Å; L312-C314 WeakPolarHBondContact CB-O 3.47Å; L312-C314 PolarHBondContact O-N 2.99Å
315	R	96.9	Very high	90.7	Very high	153 Å²	153	53.4 Å²	53.4	58%	0.577	27%	0.274	S	S	*	.			trans	-66.9	144.1	167.6	-172.8	-179.3	69.2	-170.1	-2.3	109.1	Y305 L306 E307	Y305-R315 WeakPolarHBondContact O-CG 3.47Å; L306-R315 WeakPolarHBondContact O-CD 3.36Å; L306-R315 VanDerWaalsContact O-CG 3.24Å; L306-R315 WeakPolarHBondContact O-CG 3.29Å; E307-R315 VanDerWaalsContact C-CD 3.47Å; E307-R315 WeakPolarHBondContact O-CD 3.45Å
316	L	97.7	Very high	89.4	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.289	C	S	.	.			trans	-65.8	139.6	177.4	-54.9	-179.3	0	0	0	110.4	F246 L260 V262 V302 Y305 L306 L312	F246-L316 HydrophobicContact CB-CD2 3.83Å; F246-L316 HydrophobicContact CD1-CB 3.84Å; F246-L316 HydrophobicContact CD1-CD1 4.42Å; F246-L316 HydrophobicContact CD1-CD2 4.42Å; F246-L316 HydrophobicContact CD1-CG 4.44Å; F246-L316 HydrophobicContact CD2-CD1 3.91Å; F246-L316 HydrophobicContact CD2-CD2 4.42Å; F246-L316 HydrophobicContact CE1-CB 4.1Å; F246-L316 HydrophobicContact CE2-CD1 4.02Å; F246-L316 HydrophobicContact CG-CB 4.2Å; F246-L316 HydrophobicContact CG-CD1 4.11Å; F246-L316 HydrophobicContact CG-CD2 3.97Å; F246-L316 HydrophobicContact CG-CG 4.3Å; F246-L316 HydrophobicContact CZ-CD1 4.35Å; L260-L316 HydrophobicContact CD1-CD1 4.27Å; L260-L316 HydrophobicContact CD1-CD2 4.26Å; L260-L316 HydrophobicContact CD2-CD1 4.44Å; L260-L316 HydrophobicContact CD2-CD2 4.28Å; V262-L316 HydrophobicContact CB-CD2 4.47Å; V262-L316 HydrophobicContact CG1-CD2 3.97Å; V262-L316 HydrophobicContact CG2-CD2 3.61Å; V302-L316 HydrophobicContact CG1-CD1 4.45Å; Y305-L316 WeakPolarHBondContact O-CG 3.22Å; Y305-L316 PolarHBondContact O-N 3.27Å; L306-L316 HydrophobicContact CD2-CB 3.8Å; L306-L316 HydrophobicContact CG-CB 4.14Å; L312-L316 HydrophobicContact CD1-CD2 4.02Å; L312-L316 HydrophobicContact CD1-CG 4.35Å
317	G	96.7	Very high	88.3	Confident	32 Å²	32	57.8 Å²	57.8	33%	0.33	30%	0.297	S	S	.	.			trans	-102.1	-133.2	175.2	0	0	0	0	0	110.8	G244 F246 L306	G244-G317 PolarHBondContact O-N 3Å; F246-G317 WeakPolarHBondContact CE1-O 3.4Å; L306-G317 WeakPolarHBondContact CD2-O 3.48Å
318	K	95.8	Very high	87.5	Confident	86 Å²	86	51.3 Å²	51.3	37%	0.374	27%	0.267	S	S	.	.	S	Bend	trans	-75	152	175.9	66.2	-165.7	-173.5	-167.4	0	112.2	G240 D242 S245 F246	G240-K318 WeakPolarHBondContact O-CE 3.41Å; G240-K318 PolarHBondContact O-NZ 2.92Å; D242-K318 WeakPolarHBondContact OD2-CE 3.26Å; D242-K318 IonicContact OD2-NZ 2.78Å; D242-K318 PolarHBondContact OD2-NZ 2.69Å; S245-K318 VanDerWaalsContact CA-O 3.27Å; S245-K318 WeakPolarHBondContact CA-O 3.31Å; F246-K318 WeakPolarHBondContact CD1-O 3.29Å; F246-K318 PolarHBondContact N-O 2.75Å
319	P	96.3	Very high	86.6	Confident	40 Å²	40	50.7 Å²	50.7	26%	0.26	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-51.9	145.8	165.2	-27.5	36.8	0	0	0	111.7	E221 W222 F246 I321	E221-P319 HydrophobicContact CB-CB 4.24Å; E221-P319 HydrophobicContact CB-CG 4.36Å; W222-P319 HydrophobicContact CB-CB 3.97Å; W222-P319 HydrophobicContact CB-CG 4.22Å; F246-P319 HydrophobicContact CE1-CG 4.38Å; F246-P319 CarbonylContact O-C 3.28Å; P319-I321 PolarHBondContact O-N 3.37Å
320	C	95.8	Very high	86.1	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.041	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-55.9	132.2	172.8	-174.3	0	0	0	0	109.9	F224 L236 N241 F246 L247 R322	F224-C320 HydrophobicContact CE2-CB 4.11Å; F224-C320 HydrophobicContact CZ-CB 3.95Å; L236-C320 HydrophobicContact CD2-CB 3.7Å; L236-C320 HydrophobicContact CG-CB 4.43Å; N241-C320 WeakPolarHBondContact OD1-CA 3.13Å; F246-C320 WeakPolarHBondContact O-CB 3.26Å; F246-C320 PolarHBondContact O-N 2.64Å; L247-C320 HydrophobicContact CB-CB 4.03Å; L247-C320 HydrophobicContact CD2-CB 3.92Å; L247-C320 HydrophobicContact CG-CB 4.46Å; C320-R322 PolarHBondContact O-N 2.8Å; C320-R322 VanDerWaalsContact O-N 3.12Å
321	I	90.1	Very high	85.6	Confident	83 Å²	83	44.6 Å²	44.6	43%	0.426	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-59.9	120	168.9	-59.7	177.2	0	0	0	107.2	G240 N241 P319	G240-I321 WeakPolarHBondContact O-CD1 3.48Å; N241-I321 PolarHBondContact OD1-N 3.22Å; P319-I321 PolarHBondContact O-N 3.37Å
322	R	84.3	Confident	85.4	Confident	72 Å²	72	44 Å²	44	27%	0.272	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-75.3	122.7	174.3	-168.2	172.2	-57.6	-114	1	107.5	E221 Y223 F224 C320	E221-R322 PolarHBondContact O-NH2 2.87Å; Y223-R322 PolarHBondContact O-NH2 3.25Å; F224-R322 HydrophobicContact CD1-CG 4.47Å; F224-R322 HydrophobicContact CE1-CB 3.95Å; F224-R322 HydrophobicContact CE1-CG 3.72Å; F224-R322 HydrophobicContact CZ-CB 3.76Å; F224-R322 HydrophobicContact CZ-CG 4.03Å; C320-R322 PolarHBondContact O-N 2.8Å; C320-R322 VanDerWaalsContact O-N 3.12Å
323	P	71.8	Confident	84.7	Confident	7 Å²	7	44.9 Å²	44.9	5%	0.045	23%	0.233	C	C	.	.	S	Bend	trans	-62.1	-65.9	-175.6	18.7	-28.7	0	0	0	111.1	Y235 L238 Q477	Y235-P323 HydrophobicContact CD1-CG 3.67Å; Y235-P323 HydrophobicContact CD2-CG 3.78Å; Y235-P323 HydrophobicContact CE1-CG 3.56Å; Y235-P323 HydrophobicContact CE2-CG 3.65Å; Y235-P323 HydrophobicContact CG-CG 3.8Å; L238-P323 HydrophobicContact CD1-CB 4.04Å; P323-Q477 VanDerWaalsContact CA-CD 3.46Å; P323-Q477 HydrophobicContact CB-CB 3.36Å; P323-Q477 HydrophobicContact CB-CG 3.44Å; P323-Q477 VanDerWaalsContact CB-CG 3.44Å; P323-Q477 PolarHBondContact O-NE2 2.79Å; P323-Q477 PolarHBondContact O-OE1 2.88Å
324	T	67.1	Low	84.2	Confident	66 Å²	66	48.7 Å²	48.7	41%	0.405	25%	0.247	S	C	.	.			trans	-92.8	127	-178.2	49.1	0	0	0	0	110.5	A479	T324-A479 HydrophobicContact CG2-CB 4.14Å
325	H	68.1	Low	83.5	Confident	118 Å²	118	49.3 Å²	49.3	55%	0.546	25%	0.249	S	C	.	.			trans	-76.5	137	157.6	-61.6	-51.9	0	0	0	108.1	H164 E327	H164-H325 AromaticContact CD2-CE1 3.58Å; H164-H325 AromaticContact CD2-CG 3.9Å; H164-H325 AromaticContact CD2-ND1 2.99Å; H164-H325 PolarHBondContact CD2-ND1 3.47Å; H164-H325 AromaticContact CG-ND1 3.77Å; H164-H325 AromaticContact NE2-ND1 3.23Å; H164-H325 PolarHBondContact NE2-ND1 2.83Å; H325-E327 PolarHBondContact O-N 2.7Å; H325-E327 VanDerWaalsContact O-N 3.1Å
326	P	69.4	Low	82.3	Confident	49 Å²	49	43.6 Å²	43.6	32%	0.318	23%	0.23	S	C	.	.			trans	-67.9	111.3	178.2	28.6	-33	0	0	0	108.7	H164 H210	H164-P326 WeakPolarHBondContact CE1-CD 3.39Å; H210-P326 PolarHBondContact CE1-O 3.19Å
327	E	74.1	Confident	80.9	Confident	102 Å²	102	49.4 Å²	49.4	48%	0.477	26%	0.261	S	S	.	.			trans	-56.4	143.7	172.1	-84.1	-69.1	142.7	0	0	110.6	R169 N209 H325	R169-E327 IonicContact CZ-OE2 3.59Å; R169-E327 IonicContact NH1-OE2 3.57Å; R169-E327 IonicContact NH2-OE1 3.9Å; R169-E327 IonicContact NH2-OE2 2.7Å; R169-E327 PolarHBondContact NH2-OE2 2.61Å; N209-E327 PolarHBondContact ND2-O 3.07Å; H325-E327 PolarHBondContact O-N 2.7Å; H325-E327 VanDerWaalsContact O-N 3.1Å
328	P	78.2	Confident	79.9	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.026	27%	0.269	C	S	.	.			trans	-52.7	143.4	168.9	-27.1	36.9	0	0	0	111.6	Y166 W192 P207 G330	Y166-P328 HydrophobicContact CD2-CG 4.03Å; Y166-P328 HydrophobicContact CE2-CG 3.83Å; W192-P328 HydrophobicContact CH2-CB 3.79Å; W192-P328 HydrophobicContact CH2-CG 4.38Å; W192-P328 HydrophobicContact CZ2-CB 3.52Å; P207-P328 HydrophobicContact CB-CB 3.85Å; P207-P328 HydrophobicContact CB-CG 3.99Å; P207-P328 HydrophobicContact CG-CB 4.47Å; P207-P328 HydrophobicContact CG-CG 4.09Å; P328-G330 PolarHBondContact O-N 3.49Å
329	V	78.1	Confident	79.2	Confident	54 Å²	54	50.8 Å²	50.8	33%	0.327	26%	0.257	S	S	.	.	S	Bend	trans	-69.3	107.6	175	-176.3	0	0	0	0	108.4	D191 W192	D191-V329 HydrophobicContact CB-CB 3.75Å; D191-V329 HydrophobicContact CB-CG1 4.34Å; D191-V329 HydrophobicContact CB-CG2 4.01Å; W192-V329 PolarHBondContact NE1-O 3.4Å
330	G	81.3	Confident	78.9	Confident	12 Å²	12	51.3 Å²	51.3	12%	0.124	26%	0.256	C	S	.	.	S	Bend	trans	73.8	-174.5	-174.9	0	0	0	0	0	114	P328	P328-G330 PolarHBondContact O-N 3.49Å
331	L	83.2	Confident	78.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-80.2	-39.2	-174.9	-73.5	177.7	0	0	0	113.4	R169 L335 W365 T369 V371 Y405 A406	R169-L331 WeakPolarHBondContact CD-O 3.25Å; L331-L335 HydrophobicContact CB-CD1 3.68Å; L331-L335 HydrophobicContact CD1-CD1 4.26Å; L331-W365 HydrophobicContact CB-CD2 4.37Å; L331-W365 HydrophobicContact CB-CE3 3.95Å; L331-W365 HydrophobicContact CB-CH2 3.71Å; L331-W365 HydrophobicContact CB-CZ2 4.18Å; L331-W365 HydrophobicContact CB-CZ3 3.57Å; L331-W365 HydrophobicContact CD1-CD2 3.84Å; L331-W365 HydrophobicContact CD1-CE3 4.12Å; L331-W365 HydrophobicContact CD1-CG 4.08Å; L331-W365 HydrophobicContact CD2-CD2 4.18Å; L331-W365 HydrophobicContact CD2-CE3 3.68Å; L331-W365 HydrophobicContact CD2-CZ3 4.08Å; L331-W365 HydrophobicContact CG-CD2 4.35Å; L331-W365 HydrophobicContact CG-CE3 4.11Å; L331-W365 HydrophobicContact CG-CZ3 4.24Å; L331-W365 WeakPolarHBondContact O-CZ3 3.49Å; L331-T369 HydrophobicContact CD2-CG2 4.02Å; L331-V371 HydrophobicContact CD2-CG1 4.05Å; L331-Y405 HydrophobicContact CD2-CD2 3.54Å; L331-Y405 HydrophobicContact CD2-CE2 3.99Å; L331-Y405 HydrophobicContact CD2-CG 3.96Å; L331-Y405 HydrophobicContact CG-CD2 4.01Å; L331-Y405 HydrophobicContact CG-CG 3.9Å; L331-A406 HydrophobicContact CD1-CB 4.12Å
332	S	84.4	Confident	78.8	Confident	1 Å²	1	50 Å²	50	1%	0.007	25%	0.253	C	S	.	.			trans	-162.4	165.3	170.6	67.5	0	0	0	0	110.8	K334 L335	S332-K334 PolarHBondContact O-N 3.32Å; S332-K334 VanDerWaalsContact O-N 3.07Å; S332-L335 PolarHBondContact O-N 2.71Å
333	H	81.5	Confident	79.2	Confident	22 Å²	22	48.8 Å²	48.8	10%	0.102	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-32.4	176.6	72.2	-85.2	0	0	0	113.6	D172 D173 W192 Y205 L335	D172-H333 IonicContact OD1-CE1 3.89Å; D172-H333 IonicContact OD2-CE1 3.3Å; D172-H333 PolarHBondContact OD2-CE1 2.8Å; D172-H333 VanDerWaalsContact OD2-CE1 3.3Å; D172-H333 IonicContact OD2-NE2 3.54Å; D173-H333 IonicContact OD1-ND1 3.59Å; W192-H333 HydrophobicContact CB-CB 3.62Å; W192-H333 HydrophobicContact CD2-CB 4.1Å; W192-H333 HydrophobicContact CG-CB 3.64Å; Y205-H333 HydrophobicContact CD1-CB 4.25Å; Y205-H333 AromaticContact CD1-CG 3.97Å; Y205-H333 AromaticContact CD2-CD2 3.98Å; Y205-H333 AromaticContact CD2-CE1 3.2Å; Y205-H333 WeakPolarHBondContact CD2-CE1 3.37Å; Y205-H333 AromaticContact CD2-CG 3.96Å; Y205-H333 AromaticContact CD2-ND1 3.49Å; Y205-H333 WeakPolarHBondContact CD2-ND1 3.41Å; Y205-H333 AromaticContact CD2-NE2 3.56Å; Y205-H333 AromaticContact CE2-CD2 3.77Å; Y205-H333 AromaticContact CE2-CE1 3.53Å; Y205-H333 AromaticContact CE2-NE2 3.36Å; Y205-H333 WeakPolarHBondContact CE2-NE2 3.29Å; Y205-H333 HydrophobicContact CG-CB 4.45Å; Y205-H333 AromaticContact CG-CE1 3.75Å; Y205-H333 AromaticContact CG-CG 3.82Å; Y205-H333 AromaticContact CG-ND1 3.52Å; Y205-H333 AromaticContact CZ-CD2 3.82Å; Y205-H333 AromaticContact CZ-NE2 3.87Å; H333-L335 VanDerWaalsContact C-N 3.27Å; H333-L335 PolarHBondContact O-N 3.47Å
334	K	82.3	Confident	80.3	Confident	101 Å²	101	53.7 Å²	53.7	44%	0.439	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.6	179.2	-66.5	179.6	175.8	150.7	0	114	D172 S332 K338	D172-K334 IonicContact OD1-NZ 2.69Å; D172-K334 PolarHBondContact OD1-NZ 2.71Å; D172-K334 WeakPolarHBondContact OD2-CE 3.29Å; D172-K334 IonicContact OD2-NZ 2.62Å; D172-K334 PolarHBondContact OD2-NZ 3.3Å; S332-K334 PolarHBondContact O-N 3.32Å; S332-K334 VanDerWaalsContact O-N 3.07Å; K334-K338 WeakPolarHBondContact O-CB 3.27Å
335	L	80.2	Confident	81.6	Confident	22 Å²	22	51.2 Å²	51.2	12%	0.115	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.9	-165.4	-62.6	176.9	0	0	0	113.9	L331 S332 H333 D337 K338 W339 I341 W365	L331-L335 HydrophobicContact CB-CD1 3.68Å; L331-L335 HydrophobicContact CD1-CD1 4.26Å; S332-L335 PolarHBondContact O-N 2.71Å; H333-L335 VanDerWaalsContact C-N 3.27Å; H333-L335 PolarHBondContact O-N 3.47Å; L335-D337 VanDerWaalsContact C-N 3.26Å; L335-D337 PolarHBondContact O-N 3.26Å; L335-K338 WeakPolarHBondContact CA-O 3.21Å; L335-K338 WeakPolarHBondContact CD2-O 3.43Å; L335-K338 CarbonylContact O-C 3.12Å; L335-K338 VanDerWaalsContact O-C 3.28Å; L335-K338 PolarHBondContact O-N 3.18Å; L335-K338 VanDerWaalsContact O-N 3.14Å; L335-W339 PolarHBondContact O-N 2.82Å; L335-I341 HydrophobicContact CD1-CG2 3.82Å; L335-I341 HydrophobicContact CD2-CG2 3.58Å; L335-I341 HydrophobicContact CG-CG2 4.36Å; L335-W365 HydrophobicContact CD1-CH2 4.04Å; L335-W365 HydrophobicContact CD1-CZ2 3.62Å
336	I	71.4	Confident	82.9	Confident	34 Å²	34	46.4 Å²	46.4	17%	0.174	25%	0.248	C	C	.	.	S	Bend	trans	-58.1	-36.1	-178.5	-74.2	171.7	0	0	0	112.4	H189 D191 W339	H189-I336 VanDerWaalsContact CE1-CD1 3.43Å; H189-I336 WeakPolarHBondContact CE1-CD1 3.27Å; D191-I336 HydrophobicContact CB-CD1 4.28Å; I336-W339 PolarHBondContact O-NE1 3.08Å
337	D	69.9	Low	84.2	Confident	126 Å²	126	47.2 Å²	47.2	67%	0.674	25%	0.249	S	C	*	.	S	Bend	trans	-99.3	-25.4	169.7	-72	-43.7	0	0	0	113.6	L335	L335-D337 VanDerWaalsContact C-N 3.26Å; L335-D337 PolarHBondContact O-N 3.26Å
338	K	75.4	Confident	85.3	Confident	116 Å²	116	45 Å²	45	50%	0.504	24%	0.24	S	C	.	.			trans	-113.2	78	-172.7	-63.7	169.1	-178.6	162.6	0	110.8	K334 L335 E340	K334-K338 WeakPolarHBondContact O-CB 3.27Å; L335-K338 WeakPolarHBondContact CA-O 3.21Å; L335-K338 WeakPolarHBondContact CD2-O 3.43Å; L335-K338 CarbonylContact O-C 3.12Å; L335-K338 VanDerWaalsContact O-C 3.28Å; L335-K338 PolarHBondContact O-N 3.18Å; L335-K338 VanDerWaalsContact O-N 3.14Å; K338-E340 PolarHBondContact O-N 3.13Å
339	W	80.7	Confident	86.1	Confident	31 Å²	31	50.8 Å²	50.8	12%	0.117	27%	0.265	C	S	.	.			trans	-71.8	-13.5	-171.7	-62.3	64.6	0	0	0	114.1	L335 I336 K394 H397 L404 A406 V407	L335-W339 PolarHBondContact O-N 2.82Å; I336-W339 PolarHBondContact O-NE1 3.08Å; W339-K394 HydrophobicContact CD2-CD 3.96Å; W339-K394 HydrophobicContact CD2-CG 4.19Å; W339-K394 HydrophobicContact CG-CD 3.96Å; W339-K394 HydrophobicContact CH2-CG 4.44Å; W339-K394 HydrophobicContact CZ2-CD 4.41Å; W339-K394 HydrophobicContact CZ2-CG 3.92Å; W339-H397 AromaticContact CH2-NE2 3.84Å; W339-L404 HydrophobicContact CD2-CD2 4.41Å; W339-L404 HydrophobicContact CE3-CB 4.38Å; W339-L404 HydrophobicContact CE3-CD2 3.45Å; W339-L404 VanDerWaalsContact CE3-CD2 3.45Å; W339-L404 HydrophobicContact CE3-CG 3.69Å; W339-L404 HydrophobicContact CZ3-CB 3.73Å; W339-L404 HydrophobicContact CZ3-CD2 3.56Å; W339-L404 HydrophobicContact CZ3-CG 3.56Å; W339-L404 VanDerWaalsContact CZ3-O 3.31Å; W339-L404 WeakPolarHBondContact CZ3-O 3.4Å; W339-A406 CarbonylContact O-C 3.55Å; W339-A406 VanDerWaalsContact O-CA 3.24Å; W339-A406 WeakPolarHBondContact O-CA 3.28Å; W339-A406 WeakPolarHBondContact O-CB 3.33Å; W339-V407 PolarHBondContact O-N 3.44Å
340	E	89.2	Confident	86.9	Confident	51 Å²	51	52.1 Å²	52.1	24%	0.238	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-85	117.4	-179.3	-173.9	173.1	-138.5	0	0	111.1	K338 V407 T409 Q410	K338-E340 PolarHBondContact O-N 3.13Å; E340-V407 WeakPolarHBondContact CA-O 3.38Å; E340-V407 HydrophobicContact CB-CG2 4.49Å; E340-T409 VanDerWaalsContact CD-OG1 3.28Å; E340-T409 PolarHBondContact OE1-OG1 3.26Å; E340-Q410 HydrophobicContact CG-CG 4.17Å; E340-Q410 WeakPolarHBondContact OE1-CG 3.35Å; E340-Q410 PolarHBondContact OE1-N 3.47Å
341	I	91.3	Very high	87.5	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	28%	0.279	C	S	.	.			trans	-111.9	152.1	175.7	65.1	176.2	0	0	0	111.2	L335 I346 A406 V407 C408 V417	L335-I341 HydrophobicContact CD1-CG2 3.82Å; L335-I341 HydrophobicContact CD2-CG2 3.58Å; L335-I341 HydrophobicContact CG-CG2 4.36Å; I341-I346 HydrophobicContact CD1-CD1 3.87Å; I341-I346 HydrophobicContact CD1-CG1 3.91Å; I341-A406 HydrophobicContact CB-CB 4.44Å; I341-A406 HydrophobicContact CD1-CB 3.59Å; I341-A406 HydrophobicContact CG1-CB 3.8Å; I341-A406 HydrophobicContact CG2-CB 3.88Å; I341-V407 PolarHBondContact N-O 3.15Å; I341-C408 VanDerWaalsContact CG1-SG 3.58Å; I341-V417 HydrophobicContact CD1-CG2 4.24Å
342	P	92.4	Very high	87.9	Confident	60 Å²	60	56.3 Å²	56.3	39%	0.39	28%	0.283	S	S	.	.			trans	-72.5	138.3	173.2	30.9	-34.6	0	0	0	110.2	S344 S345	P342-S344 PolarHBondContact O-N 3.28Å; P342-S344 VanDerWaalsContact O-N 3.09Å; P342-S345 WeakPolarHBondContact O-CB 3.46Å; P342-S345 PolarHBondContact O-N 3.17Å; P342-S345 PolarHBondContact O-OG 3.37Å
343	K	93.2	Very high	88	Confident	45 Å²	45	56.5 Å²	56.5	20%	0.196	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-56.1	-28.4	178	-72.4	-176.8	177.8	167.8	0	114.1	S345 I346 C408 T411 E412 P413 Y415	K343-S345 PolarHBondContact O-N 3.02Å; K343-I346 PolarHBondContact O-N 2.66Å; K343-C408 HydrophobicContact CG-CB 3.61Å; K343-T411 VanDerWaalsContact CE-O 3.22Å; K343-T411 WeakPolarHBondContact CE-O 3.42Å; K343-T411 PolarHBondContact NZ-O 3.19Å; K343-T411 PolarHBondContact NZ-OG1 2.88Å; K343-E412 PolarHBondContact NZ-O 3.1Å; K343-P413 WeakPolarHBondContact CE-O 3.42Å; K343-P413 PolarHBondContact NZ-O 2.96Å; K343-Y415 HydrophobicContact CB-CE2 4.42Å; K343-Y415 HydrophobicContact CD-CD2 4.5Å; K343-Y415 HydrophobicContact CD-CE2 4.03Å; K343-Y415 HydrophobicContact CG-CD2 4.1Å; K343-Y415 HydrophobicContact CG-CE2 3.93Å
344	S	94.4	Very high	88	Confident	111 Å²	111	60.2 Å²	60.2	78%	0.776	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.1	-17.4	176	50	0	0	0	0	113.8	P342 I346	P342-S344 PolarHBondContact O-N 3.28Å; P342-S344 VanDerWaalsContact O-N 3.09Å; S344-I346 VanDerWaalsContact C-N 3.31Å
345	S	93.9	Very high	87.3	Confident	14 Å²	14	56.1 Å²	56.1	10%	0.098	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-78.8	-10.2	170.7	67.5	0	0	0	0	113.8	P342 K343 W365 N366	P342-S345 WeakPolarHBondContact O-CB 3.46Å; P342-S345 PolarHBondContact O-N 3.17Å; P342-S345 PolarHBondContact O-OG 3.37Å; K343-S345 PolarHBondContact O-N 3.02Å; S345-W365 CarbonylContact O-C 3.58Å; S345-W365 VanDerWaalsContact O-CA 3.32Å; S345-W365 WeakPolarHBondContact O-CA 3.12Å; S345-W365 PolarHBondContact OG-NE1 2.93Å; S345-N366 WeakPolarHBondContact CB-OD1 3.4Å; S345-N366 PolarHBondContact O-N 3.15Å
346	I	96.4	Very high	86.6	Confident	16 Å²	16	60.9 Å²	60.9	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.6	-176.4	-64.1	-68.1	0	0	0	110.2	I341 K343 S344 L348 A363 W365 V371 V373 Y415 V417	I341-I346 HydrophobicContact CD1-CD1 3.87Å; I341-I346 HydrophobicContact CD1-CG1 3.91Å; K343-I346 PolarHBondContact O-N 2.66Å; S344-I346 VanDerWaalsContact C-N 3.31Å; I346-L348 HydrophobicContact CG2-CD2 3.85Å; I346-A363 HydrophobicContact CG2-CB 3.99Å; I346-W365 HydrophobicContact CD1-CB 3.83Å; I346-W365 HydrophobicContact CD1-CG 4.18Å; I346-V371 HydrophobicContact CD1-CG2 4.21Å; I346-V373 HydrophobicContact CG2-CG2 3.99Å; I346-Y415 HydrophobicContact CG2-CD2 4.5Å; I346-Y415 HydrophobicContact CG2-CE2 4.47Å; I346-V417 HydrophobicContact CD1-CG1 4.24Å; I346-V417 HydrophobicContact CD1-CG2 4.18Å
347	I	96.7	Very high	86.3	Confident	66 Å²	66	59.5 Å²	59.5	34%	0.338	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	101.5	171.4	-55.6	175.6	0	0	0	108	K349 A363 V364 K367	I347-K349 HydrophobicContact CG2-CD 4.33Å; I347-A363 CarbonylContact O-C 3.6Å; I347-A363 VanDerWaalsContact O-CA 3.25Å; I347-A363 WeakPolarHBondContact O-CA 3.5Å; I347-A363 WeakPolarHBondContact O-CB 3.39Å; I347-V364 PolarHBondContact N-O 3.16Å; I347-V364 PolarHBondContact O-N 3.48Å; I347-K367 HydrophobicContact CD1-CG 3.87Å
348	L	96.1	Very high	86.6	Confident	57 Å²	57	53.6 Å²	53.6	30%	0.298	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	141.4	172	-56.9	-177.1	0	0	0	110.2	I346 F361 A363 V373	I346-L348 HydrophobicContact CG2-CD2 3.85Å; L348-F361 HydrophobicContact CD1-CD2 4.34Å; L348-F361 HydrophobicContact CD1-CG 4.45Å; L348-F361 HydrophobicContact CD2-CB 4.1Å; L348-F361 HydrophobicContact CD2-CG 4.4Å; L348-A363 HydrophobicContact CD2-CB 3.97Å; L348-V373 HydrophobicContact CD2-CB 3.91Å; L348-V373 HydrophobicContact CD2-CG1 3.81Å; L348-V373 HydrophobicContact CD2-CG2 4.21Å
349	K	96.4	Very high	87.3	Confident	125 Å²	125	51.1 Å²	51.1	54%	0.543	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-119.6	178.1	-59.4	-65.1	-173.4	172.6	0	109.3	I347 K362 V364	I347-K349 HydrophobicContact CG2-CD 4.33Å; K349-K362 WeakPolarHBondContact CA-O 3.34Å; K349-K362 WeakPolarHBondContact CB-O 2.97Å; K349-K362 PolarHBondContact N-O 3.24Å; K349-V364 HydrophobicContact CG-CG2 4.2Å
350	E	94.6	Very high	87.9	Confident	82 Å²	82	49.9 Å²	49.9	38%	0.383	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.5	178.7	58.1	-167.7	148.1	0	0	112.1	I352 F361 K362	E350-I352 HydrophobicContact CG-CG2 3.96Å; E350-I352 PolarHBondContact O-N 2.84Å; E350-F361 CarbonylContact O-C 3.44Å; E350-F361 VanDerWaalsContact O-CA 3.28Å; E350-F361 WeakPolarHBondContact O-CA 3.38Å; E350-K362 HydrophobicContact CG-CB 3.85Å; E350-K362 HydrophobicContact CG-CD 3.84Å; E350-K362 PolarHBondContact O-N 2.67Å; E350-K362 WeakPolarHBondContact OE1-CD 3.28Å; E350-K362 WeakPolarHBondContact OE1-CE 3.41Å; E350-K362 IonicContact OE1-NZ 2.64Å; E350-K362 PolarHBondContact OE1-NZ 3.35Å
351	K	94.4	Very high	88.2	Confident	85 Å²	85	49 Å²	49	37%	0.37	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.4	168.7	179.1	178.2	169.5	179.5	0	108.2	G353 E359 V360 F361	K351-G353 WeakPolarHBondContact CE-O 3.41Å; K351-E359 HydrophobicContact CD-CB 4.49Å; K351-E359 HydrophobicContact CD-CG 4.42Å; K351-E359 VanDerWaalsContact CE-OE1 3.29Å; K351-E359 WeakPolarHBondContact CE-OE1 3.43Å; K351-E359 IonicContact NZ-OE1 2.86Å; K351-E359 PolarHBondContact NZ-OE1 3.41Å; K351-V360 CarbonylContact C-O 3.55Å; K351-F361 HydrophobicContact CB-CD1 3.93Å; K351-F361 HydrophobicContact CB-CE1 3.78Å; K351-F361 HydrophobicContact CB-CZ 4.48Å; K351-F361 HydrophobicContact CG-CE1 4.36Å
352	I	92	Very high	88.4	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	2.5	-179.4	65.4	177.3	0	0	0	112.8	T16 V17 E350 V360 K362 A372 Y420	T16-I352 CarbonylContact C-O 3.56Å; T16-I352 VanDerWaalsContact O-O 3.13Å; V17-I352 WeakPolarHBondContact CA-O 3.4Å; V17-I352 HydrophobicContact CG1-CB 4.45Å; V17-I352 HydrophobicContact CG2-CB 4.49Å; V17-I352 WeakPolarHBondContact CG2-O 3.28Å; V17-I352 PolarHBondContact N-O 3.21Å; E350-I352 HydrophobicContact CG-CG2 3.96Å; E350-I352 PolarHBondContact O-N 2.84Å; I352-V360 HydrophobicContact CD1-CG1 3.93Å; I352-V360 HydrophobicContact CG1-CB 4.11Å; I352-V360 HydrophobicContact CG1-CG1 3.75Å; I352-V360 WeakPolarHBondContact CG1-O 3.24Å; I352-V360 PolarHBondContact N-O 3.19Å; I352-K362 HydrophobicContact CD1-CB 4.41Å; I352-K362 HydrophobicContact CG2-CB 3.82Å; I352-A372 HydrophobicContact CD1-CB 4.32Å; I352-Y420 HydrophobicContact CD1-CD2 3.95Å; I352-Y420 HydrophobicContact CD1-CE2 3.72Å; I352-Y420 HydrophobicContact CG2-CE2 4.44Å
353	G	84.9	Confident	88.6	Confident	5 Å²	5	48.5 Å²	48.5	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	169.1	176.5	0	0	0	0	0	114	K351 V360	K351-G353 WeakPolarHBondContact CE-O 3.41Å; G353-V360 PolarHBondContact N-O 3.43Å; G353-V360 PolarHBondContact O-N 3.39Å
354	Q	82	Confident	88.8	Confident	101 Å²	101	47.6 Å²	47.6	47%	0.472	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	125.6	171.7	-178.3	172.8	-31.8	0	0	109.1
355	G	68.7	Low	88.8	Confident	15 Å²	15	42.7 Å²	42.7	16%	0.155	21%	0.208	C	C	.	.			trans	-118.7	-166.1	174.3	0	0	0	0	0	111.7	G358 K377	G355-G358 PolarHBondContact N-O 3.32Å; G355-K377 PolarHBondContact O-NZ 2.86Å
356	Q	65.1	Low	88.7	Confident	122 Å²	122	44.9 Å²	44.9	57%	0.57	22%	0.218	S	C	*	.	S	Bend	trans	-63.1	-56.4	178.6	-173.8	-176.6	-33.6	0	0	111.2	W14 G358 K377	W14-Q356 HydrophobicContact CH2-CB 3.5Å; W14-Q356 HydrophobicContact CH2-CG 4.36Å; W14-Q356 HydrophobicContact CZ2-CB 4.39Å; W14-Q356 HydrophobicContact CZ3-CB 3.57Å; Q356-G358 VanDerWaalsContact C-N 3.29Å; Q356-G358 PolarHBondContact O-N 2.82Å; Q356-K377 PolarHBondContact O-NZ 2.85Å
357	F	65.1	Low	88.5	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.018	25%	0.251	C	S	.	.	S	Bend	trans	-65.1	-27.6	-176.2	-58.4	-50.8	0	0	0	114.1	W14 L376 K377 D382 L487	W14-F357 HydrophobicContact CE3-CD2 4.22Å; W14-F357 HydrophobicContact CE3-CE2 4.42Å; W14-F357 AromaticContact CH2-CD2 3.67Å; W14-F357 HydrophobicContact CH2-CD2 3.67Å; W14-F357 HydrophobicContact CH2-CE1 4.48Å; W14-F357 AromaticContact CH2-CE2 3.25Å; W14-F357 HydrophobicContact CH2-CE2 3.25Å; W14-F357 HydrophobicContact CH2-CG 4.4Å; W14-F357 AromaticContact CH2-CZ 3.73Å; W14-F357 HydrophobicContact CH2-CZ 3.73Å; W14-F357 HydrophobicContact CZ2-CE2 4.29Å; W14-F357 AromaticContact CZ3-CD2 3.23Å; W14-F357 HydrophobicContact CZ3-CD2 3.23Å; W14-F357 AromaticContact CZ3-CE2 3.34Å; W14-F357 HydrophobicContact CZ3-CE2 3.34Å; W14-F357 AromaticContact CZ3-CG 3.97Å; W14-F357 HydrophobicContact CZ3-CG 3.97Å; W14-F357 HydrophobicContact CZ3-CZ 4.19Å; F357-L376 HydrophobicContact CB-CD1 4.16Å; F357-K377 PolarHBondContact O-N 3.38Å; F357-D382 HydrophobicContact CD1-CB 3.6Å; F357-D382 WeakPolarHBondContact CD1-OD2 2.97Å; F357-D382 HydrophobicContact CE1-CB 3.75Å; F357-L487 HydrophobicContact CD2-CD2 4.35Å; F357-L487 HydrophobicContact CE2-CD1 4.08Å; F357-L487 HydrophobicContact CE2-CD2 3.58Å; F357-L487 HydrophobicContact CE2-CG 4.3Å; F357-L487 HydrophobicContact CZ-CD2 4.42Å
358	G	76.4	Confident	88.1	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	25%	0.254	C	S	.	.			trans	165.1	-143	178.9	0	0	0	0	0	114.2	G355 Q356 T375	G355-G358 PolarHBondContact N-O 3.32Å; Q356-G358 VanDerWaalsContact C-N 3.29Å; Q356-G358 PolarHBondContact O-N 2.82Å; G358-T375 VanDerWaalsContact CA-O 3.27Å; G358-T375 WeakPolarHBondContact CA-O 3.36Å
359	E	89.2	Confident	87.9	Confident	65 Å²	65	50.1 Å²	50.1	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149	-170.6	-61.3	179.7	125.6	0	0	109.9	K351 F361 T375	K351-E359 HydrophobicContact CD-CB 4.49Å; K351-E359 HydrophobicContact CD-CG 4.42Å; K351-E359 VanDerWaalsContact CE-OE1 3.29Å; K351-E359 WeakPolarHBondContact CE-OE1 3.43Å; K351-E359 IonicContact NZ-OE1 2.86Å; K351-E359 PolarHBondContact NZ-OE1 3.41Å; E359-F361 HydrophobicContact CB-CD2 4.28Å; E359-F361 HydrophobicContact CB-CE2 3.54Å; E359-F361 HydrophobicContact CB-CZ 4.04Å; E359-T375 PolarHBondContact N-O 2.66Å; E359-T375 PolarHBondContact N-OG1 3.04Å; E359-T375 PolarHBondContact O-N 2.65Å; E359-T375 PolarHBondContact O-OG1 2.76Å
360	V	92.2	Very high	87.7	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.9	173.9	-169.6	0	0	0	0	107.9	I15 K351 I352 G353 V373 K374	I15-V360 HydrophobicContact CD1-CG1 4.49Å; I15-V360 HydrophobicContact CD1-CG2 4.46Å; I15-V360 HydrophobicContact CG1-CG2 4.19Å; K351-V360 CarbonylContact C-O 3.55Å; I352-V360 HydrophobicContact CD1-CG1 3.93Å; I352-V360 HydrophobicContact CG1-CB 4.11Å; I352-V360 HydrophobicContact CG1-CG1 3.75Å; I352-V360 WeakPolarHBondContact CG1-O 3.24Å; I352-V360 PolarHBondContact N-O 3.19Å; G353-V360 PolarHBondContact N-O 3.43Å; G353-V360 PolarHBondContact O-N 3.39Å; V360-V373 WeakPolarHBondContact CA-O 3.21Å; V360-K374 HydrophobicContact CG2-CB 4.48Å; V360-K374 HydrophobicContact CG2-CG 4.18Å
361	F	95.6	Very high	87.8	Confident	31 Å²	31	44.9 Å²	44.9	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.9	177.2	-63.7	-96.2	0	0	0	110	L348 E350 K351 E359 A372 V373 T375	L348-F361 HydrophobicContact CD1-CD2 4.34Å; L348-F361 HydrophobicContact CD1-CG 4.45Å; L348-F361 HydrophobicContact CD2-CB 4.1Å; L348-F361 HydrophobicContact CD2-CG 4.4Å; E350-F361 CarbonylContact O-C 3.44Å; E350-F361 VanDerWaalsContact O-CA 3.28Å; E350-F361 WeakPolarHBondContact O-CA 3.38Å; K351-F361 HydrophobicContact CB-CD1 3.93Å; K351-F361 HydrophobicContact CB-CE1 3.78Å; K351-F361 HydrophobicContact CB-CZ 4.48Å; K351-F361 HydrophobicContact CG-CE1 4.36Å; E359-F361 HydrophobicContact CB-CD2 4.28Å; E359-F361 HydrophobicContact CB-CE2 3.54Å; E359-F361 HydrophobicContact CB-CZ 4.04Å; F361-A372 CarbonylContact O-C 3.6Å; F361-A372 WeakPolarHBondContact O-CA 3.47Å; F361-V373 PolarHBondContact N-O 3.49Å; F361-V373 PolarHBondContact O-N 2.99Å; F361-T375 HydrophobicContact CD2-CG2 3.73Å; F361-T375 HydrophobicContact CE2-CG2 3.76Å
362	K	96.6	Very high	87.8	Confident	53 Å²	53	41.2 Å²	41.2	23%	0.23	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.7	153.5	-175.7	-174.4	-172.4	171.9	0	107	K349 E350 I352 I370 Y420	K349-K362 WeakPolarHBondContact CA-O 3.34Å; K349-K362 WeakPolarHBondContact CB-O 2.97Å; K349-K362 PolarHBondContact N-O 3.24Å; E350-K362 HydrophobicContact CG-CB 3.85Å; E350-K362 HydrophobicContact CG-CD 3.84Å; E350-K362 PolarHBondContact O-N 2.67Å; E350-K362 WeakPolarHBondContact OE1-CD 3.28Å; E350-K362 WeakPolarHBondContact OE1-CE 3.41Å; E350-K362 IonicContact OE1-NZ 2.64Å; E350-K362 PolarHBondContact OE1-NZ 3.35Å; I352-K362 HydrophobicContact CD1-CB 4.41Å; I352-K362 HydrophobicContact CG2-CB 3.82Å; K362-I370 HydrophobicContact CG-CG2 4.01Å; K362-Y420 HydrophobicContact CB-CD2 4.24Å; K362-Y420 HydrophobicContact CB-CE2 3.9Å; K362-Y420 HydrophobicContact CD-CE1 4.5Å; K362-Y420 HydrophobicContact CD-CE2 3.93Å; K362-Y420 HydrophobicContact CG-CD2 3.95Å; K362-Y420 HydrophobicContact CG-CE2 3.72Å
363	A	97.2	Very high	88	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	170.8	-179.9	0	0	0	0	0	110.4	I346 I347 L348 I370 V371 V373	I346-A363 HydrophobicContact CG2-CB 3.99Å; I347-A363 CarbonylContact O-C 3.6Å; I347-A363 VanDerWaalsContact O-CA 3.25Å; I347-A363 WeakPolarHBondContact O-CA 3.5Å; I347-A363 WeakPolarHBondContact O-CB 3.39Å; L348-A363 HydrophobicContact CD2-CB 3.97Å; A363-I370 WeakPolarHBondContact O-CA 3.43Å; A363-V371 HydrophobicContact CB-CG2 4Å; A363-V371 PolarHBondContact N-O 2.97Å; A363-V371 PolarHBondContact O-N 2.9Å; A363-V373 HydrophobicContact CB-CB 4.32Å; A363-V373 HydrophobicContact CB-CG2 3.54Å
364	V	96.3	Very high	88.3	Confident	27 Å²	27	41.2 Å²	41.2	16%	0.164	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.6	172.5	-170.1	0	0	0	0	109	I347 K349 K367 T369	I347-V364 PolarHBondContact N-O 3.16Å; I347-V364 PolarHBondContact O-N 3.48Å; K349-V364 HydrophobicContact CG-CG2 4.2Å; V364-K367 VanDerWaalsContact CG1-C 3.43Å; V364-T369 CarbonylContact C-O 3.44Å; V364-T369 WeakPolarHBondContact CA-O 3.38Å
365	W	94.7	Very high	88.6	Confident	7 Å²	7	37 Å²	37	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.8	169.5	177.7	67.1	0	0	0	110.5	R169 V170 L331 L335 S345 I346 K367 T368 T369 V371	R169-W365 HydrophobicContact CB-CH2 4.32Å; R169-W365 HydrophobicContact CB-CZ3 3.65Å; R169-W365 HydrophobicContact CG-CZ3 4.49Å; V170-W365 HydrophobicContact CG1-CH2 3.84Å; V170-W365 HydrophobicContact CG1-CZ2 4.18Å; L331-W365 HydrophobicContact CB-CD2 4.37Å; L331-W365 HydrophobicContact CB-CE3 3.95Å; L331-W365 HydrophobicContact CB-CH2 3.71Å; L331-W365 HydrophobicContact CB-CZ2 4.18Å; L331-W365 HydrophobicContact CB-CZ3 3.57Å; L331-W365 HydrophobicContact CD1-CD2 3.84Å; L331-W365 HydrophobicContact CD1-CE3 4.12Å; L331-W365 HydrophobicContact CD1-CG 4.08Å; L331-W365 HydrophobicContact CD2-CD2 4.18Å; L331-W365 HydrophobicContact CD2-CE3 3.68Å; L331-W365 HydrophobicContact CD2-CZ3 4.08Å; L331-W365 HydrophobicContact CG-CD2 4.35Å; L331-W365 HydrophobicContact CG-CE3 4.11Å; L331-W365 HydrophobicContact CG-CZ3 4.24Å; L331-W365 WeakPolarHBondContact O-CZ3 3.49Å; L335-W365 HydrophobicContact CD1-CH2 4.04Å; L335-W365 HydrophobicContact CD1-CZ2 3.62Å; S345-W365 CarbonylContact O-C 3.58Å; S345-W365 VanDerWaalsContact O-CA 3.32Å; S345-W365 WeakPolarHBondContact O-CA 3.12Å; S345-W365 PolarHBondContact OG-NE1 2.93Å; I346-W365 HydrophobicContact CD1-CB 3.83Å; I346-W365 HydrophobicContact CD1-CG 4.18Å; W365-K367 PolarHBondContact O-N 3.39Å; W365-T368 PolarHBondContact O-N 3.45Å; W365-T368 PolarHBondContact O-OG1 2.85Å; W365-T369 PolarHBondContact N-O 2.88Å; W365-T369 PolarHBondContact O-N 2.9Å; W365-V371 HydrophobicContact CB-CG1 4.2Å; W365-V371 HydrophobicContact CB-CG2 4.31Å
366	N	91.7	Very high	89.2	Confident	60 Å²	60	36.5 Å²	36.5	32%	0.321	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	21	179.7	-83.1	0.5	0	0	0	115.8	R169 V170 S345 T368	R169-N366 PolarHBondContact O-ND2 2.87Å; V170-N366 WeakPolarHBondContact CG1-ND2 3.49Å; S345-N366 WeakPolarHBondContact CB-OD1 3.4Å; S345-N366 PolarHBondContact O-N 3.15Å; N366-T368 PolarHBondContact O-N 2.96Å
367	K	91.7	Very high	89.5	Confident	177 Å²	177	34.7 Å²	34.7	77%	0.77	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	5.4	-170.6	-48.3	170.5	-175.8	172.5	0	114.7	I347 V364 W365	I347-K367 HydrophobicContact CD1-CG 3.87Å; V364-K367 VanDerWaalsContact CG1-C 3.43Å; W365-K367 PolarHBondContact O-N 3.39Å
368	T	89.1	Confident	89.6	Confident	64 Å²	64	38.4 Å²	38.4	39%	0.393	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-42.1	-174.7	54	0	0	0	0	113.3	W365 N366	W365-T368 PolarHBondContact O-N 3.45Å; W365-T368 PolarHBondContact O-OG1 2.85Å; N366-T368 PolarHBondContact O-N 2.96Å
369	T	90.9	Very high	88.8	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.5	-163.7	-49.4	0	0	0	0	110.8	R169 L331 V364 W365 V371	R169-T369 WeakPolarHBondContact CD-OG1 3.26Å; R169-T369 WeakPolarHBondContact CG-OG1 3.42Å; L331-T369 HydrophobicContact CD2-CG2 4.02Å; V364-T369 CarbonylContact C-O 3.44Å; V364-T369 WeakPolarHBondContact CA-O 3.38Å; W365-T369 PolarHBondContact N-O 2.88Å; W365-T369 PolarHBondContact O-N 2.9Å; T369-V371 HydrophobicContact CG2-CG1 4.28Å
370	I	93.8	Very high	87.5	Confident	96 Å²	96	42.2 Å²	42.2	49%	0.492	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.9	174.5	-57.4	177.1	0	0	0	108.9	K362 A363 Y420	K362-I370 HydrophobicContact CG-CG2 4.01Å; A363-I370 WeakPolarHBondContact O-CA 3.43Å; I370-Y420 HydrophobicContact CG2-CD1 3.82Å; I370-Y420 HydrophobicContact CG2-CG 3.85Å
371	V	95.3	Very high	85.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156.6	-177.6	-62.9	0	0	0	0	110.2	L331 I346 A363 W365 T369 V373 Y405 V417 T418	L331-V371 HydrophobicContact CD2-CG1 4.05Å; I346-V371 HydrophobicContact CD1-CG2 4.21Å; A363-V371 HydrophobicContact CB-CG2 4Å; A363-V371 PolarHBondContact N-O 2.97Å; A363-V371 PolarHBondContact O-N 2.9Å; W365-V371 HydrophobicContact CB-CG1 4.2Å; W365-V371 HydrophobicContact CB-CG2 4.31Å; T369-V371 HydrophobicContact CG2-CG1 4.28Å; V371-V373 HydrophobicContact CG2-CG2 4.06Å; V371-Y405 HydrophobicContact CG1-CD2 3.88Å; V371-Y405 HydrophobicContact CG1-CE2 4.25Å; V371-V417 HydrophobicContact CB-CG1 3.7Å; V371-V417 HydrophobicContact CG1-CG1 4.02Å; V371-V417 HydrophobicContact CG2-CG1 3.72Å; V371-T418 WeakPolarHBondContact CA-O 2.99Å; V371-T418 WeakPolarHBondContact CB-O 3.33Å
372	A	95.7	Very high	84.4	Confident	9 Å²	9	47.9 Å²	47.9	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.7	165.5	0	0	0	0	0	109.6	I352 F361 V417 T418 Y420	I352-A372 HydrophobicContact CD1-CB 4.32Å; F361-A372 CarbonylContact O-C 3.6Å; F361-A372 WeakPolarHBondContact O-CA 3.47Å; A372-V417 WeakPolarHBondContact O-CA 3.44Å; A372-T418 PolarHBondContact N-O 3.2Å; A372-T418 PolarHBondContact O-N 2.8Å; A372-Y420 HydrophobicContact CB-CD2 4.37Å
373	V	94.8	Very high	83.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.5	-177.6	178.5	0	0	0	0	109.6	I346 L348 V360 F361 A363 V371 T375 Y415 I416 V417	I346-V373 HydrophobicContact CG2-CG2 3.99Å; L348-V373 HydrophobicContact CD2-CB 3.91Å; L348-V373 HydrophobicContact CD2-CG1 3.81Å; L348-V373 HydrophobicContact CD2-CG2 4.21Å; V360-V373 WeakPolarHBondContact CA-O 3.21Å; F361-V373 PolarHBondContact N-O 3.49Å; F361-V373 PolarHBondContact O-N 2.99Å; A363-V373 HydrophobicContact CB-CB 4.32Å; A363-V373 HydrophobicContact CB-CG2 3.54Å; V371-V373 HydrophobicContact CG2-CG2 4.06Å; V373-T375 HydrophobicContact CG1-CG2 4.24Å; V373-Y415 HydrophobicContact CG1-CD1 4.1Å; V373-Y415 HydrophobicContact CG1-CD2 3.99Å; V373-Y415 HydrophobicContact CG1-CG 3.71Å; V373-I416 WeakPolarHBondContact CA-O 3.45Å; V373-V417 HydrophobicContact CG2-CG1 4.36Å; V373-V417 HydrophobicContact CG2-CG2 4.28Å
374	K	91.4	Very high	82.4	Confident	19 Å²	19	47.2 Å²	47.2	8%	0.083	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.7	169.4	-164.5	175.2	-167.4	167.2	0	107.5	V360 F386 E389 Y415 I416 D484 L487	V360-K374 HydrophobicContact CG2-CB 4.48Å; V360-K374 HydrophobicContact CG2-CG 4.18Å; K374-F386 HydrophobicContact CG-CE2 4.2Å; K374-F386 WeakPolarHBondContact O-CZ 3.47Å; K374-E389 IonicContact NZ-OE1 3.51Å; K374-E389 PolarHBondContact NZ-OE1 2.66Å; K374-E389 IonicContact NZ-OE2 3.78Å; K374-E389 PolarHBondContact NZ-OE2 2.78Å; K374-Y415 WeakPolarHBondContact O-CA 3.18Å; K374-I416 HydrophobicContact CB-CB 4.28Å; K374-I416 PolarHBondContact N-O 3.09Å; K374-I416 PolarHBondContact O-N 3.18Å; K374-D484 IonicContact NZ-OD1 3.95Å; K374-D484 PolarHBondContact NZ-OD1 3.03Å; K374-L487 VanDerWaalsContact NZ-CD1 3.34Å
375	T	89.5	Confident	81.3	Confident	13 Å²	13	46.9 Å²	46.9	8%	0.08	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.6	177.4	70	0	0	0	0	110	G358 E359 F361 V373 Y415	G358-T375 VanDerWaalsContact CA-O 3.27Å; G358-T375 WeakPolarHBondContact CA-O 3.36Å; E359-T375 PolarHBondContact N-O 2.66Å; E359-T375 PolarHBondContact N-OG1 3.04Å; E359-T375 PolarHBondContact O-N 2.65Å; E359-T375 PolarHBondContact O-OG1 2.76Å; F361-T375 HydrophobicContact CD2-CG2 3.73Å; F361-T375 HydrophobicContact CE2-CG2 3.76Å; V373-T375 HydrophobicContact CG1-CG2 4.24Å; T375-Y415 HydrophobicContact CG2-CD1 3.73Å; T375-Y415 HydrophobicContact CG2-CE1 3.6Å
376	L	80.1	Confident	80.4	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-83.9	130.1	168.7	-175.1	65.5	0	0	0	109.7	F357 S380 D382 A383 F386 P413 F414	F357-L376 HydrophobicContact CB-CD1 4.16Å; L376-S380 WeakPolarHBondContact CD1-OG 3.37Å; L376-S380 VanDerWaalsContact CG-OG 3.28Å; L376-S380 WeakPolarHBondContact CG-OG 3.41Å; L376-D382 HydrophobicContact CD1-CB 4.45Å; L376-A383 HydrophobicContact CD2-CB 3.7Å; L376-F386 HydrophobicContact CB-CD1 4.16Å; L376-F386 HydrophobicContact CB-CD2 4Å; L376-F386 HydrophobicContact CB-CE1 4.14Å; L376-F386 HydrophobicContact CB-CE2 3.96Å; L376-F386 HydrophobicContact CB-CG 4.08Å; L376-F386 HydrophobicContact CB-CZ 4.02Å; L376-F386 HydrophobicContact CD1-CB 3.94Å; L376-F386 HydrophobicContact CD1-CD2 3.91Å; L376-F386 HydrophobicContact CD1-CG 3.99Å; L376-F386 HydrophobicContact CD2-CB 4.24Å; L376-F386 HydrophobicContact CD2-CD1 4.35Å; L376-F386 HydrophobicContact CD2-CG 4.27Å; L376-F386 HydrophobicContact CG-CD2 4.46Å; L376-F386 HydrophobicContact CG-CG 4.34Å; L376-P413 WeakPolarHBondContact O-CB 3.33Å; L376-F414 HydrophobicContact CB-CB 4.36Å; L376-F414 HydrophobicContact CD2-CB 4.48Å; L376-F414 HydrophobicContact CD2-CD2 4.05Å; L376-F414 PolarHBondContact N-O 3.48Å
377	K	72.4	Confident	79.9	Confident	84 Å²	84	44 Å²	44	37%	0.365	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-58.4	130.7	172.6	-79.7	161.3	-176.9	150.4	0	110.3	G355 Q356 F357 S380	G355-K377 PolarHBondContact O-NZ 2.86Å; Q356-K377 PolarHBondContact O-NZ 2.85Å; F357-K377 PolarHBondContact O-N 3.38Å; K377-S380 WeakPolarHBondContact O-CB 3.49Å; K377-S380 PolarHBondContact O-N 2.99Å; K377-S380 PolarHBondContact O-OG 2.83Å
378	P	66.5	Low	79.3	Confident	82 Å²	82	39.4 Å²	39.4	53%	0.532	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	143.2	169.5	-25.1	34.2	0	0	0	111	S380 P413	P378-S380 PolarHBondContact O-N 2.87Å; P378-P413 HydrophobicContact CG-CB 4.34Å
379	S	60.4	Low	78.8	Confident	117 Å²	117	36.8 Å²	36.8	82%	0.818	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	14.3	-177.9	68.5	0	0	0	0	116.7
380	S	60.5	Low	78.5	Confident	30 Å²	30	36.6 Å²	36.6	21%	0.21	22%	0.216	C	C	.	.			trans	-68.8	137.2	164.6	55.7	0	0	0	0	110.4	L376 K377 P378 D382	L376-S380 WeakPolarHBondContact CD1-OG 3.37Å; L376-S380 VanDerWaalsContact CG-OG 3.28Å; L376-S380 WeakPolarHBondContact CG-OG 3.41Å; K377-S380 WeakPolarHBondContact O-CB 3.49Å; K377-S380 PolarHBondContact O-N 2.99Å; K377-S380 PolarHBondContact O-OG 2.83Å; P378-S380 PolarHBondContact O-N 2.87Å; S380-D382 PolarHBondContact O-N 3.49Å; S380-D382 VanDerWaalsContact O-N 3.1Å
381	C	56.3	Low	78.1	Confident	122 Å²	122	33.3 Å²	33.3	82%	0.824	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.6	170.9	-64.9	0	0	0	0	112.3	A383	C381-A383 VanDerWaalsContact C-N 3.33Å; C381-A383 PolarHBondContact O-N 3.06Å
382	D	68.2	Low	77.5	Confident	33 Å²	33	34.6 Å²	34.6	18%	0.176	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.4	-163.8	-48.7	-21.2	0	0	0	113.3	F357 L376 S380 A384 D385 F386	F357-D382 HydrophobicContact CD1-CB 3.6Å; F357-D382 WeakPolarHBondContact CD1-OD2 2.97Å; F357-D382 HydrophobicContact CE1-CB 3.75Å; L376-D382 HydrophobicContact CD1-CB 4.45Å; S380-D382 PolarHBondContact O-N 3.49Å; S380-D382 VanDerWaalsContact O-N 3.1Å; D382-A384 VanDerWaalsContact C-N 3.26Å; D382-A384 PolarHBondContact O-N 3.41Å; D382-D385 WeakPolarHBondContact CA-OD2 3.35Å; D382-D385 WeakPolarHBondContact O-CA 3.26Å; D382-D385 WeakPolarHBondContact O-CB 3.39Å; D382-D385 PolarHBondContact O-N 2.85Å; D382-F386 PolarHBondContact O-N 2.83Å
383	A	75.6	Confident	77.1	Confident	22 Å²	22	34.6 Å²	34.6	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-37.5	-178.7	0	0	0	0	0	113	L376 C381 D385 L387 F414	L376-A383 HydrophobicContact CD2-CB 3.7Å; C381-A383 VanDerWaalsContact C-N 3.33Å; C381-A383 PolarHBondContact O-N 3.06Å; A383-D385 PolarHBondContact O-N 3.33Å; A383-L387 VanDerWaalsContact O-CG 3.25Å; A383-L387 WeakPolarHBondContact O-CG 3.38Å; A383-L387 PolarHBondContact O-N 3.45Å; A383-L387 VanDerWaalsContact O-N 3.1Å; A383-F414 HydrophobicContact CB-CD2 4.44Å; A383-F414 HydrophobicContact CB-CE2 4.14Å
384	A	76.5	Confident	76.6	Confident	18 Å²	18	38.9 Å²	38.9	15%	0.149	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-27.2	173.8	0	0	0	0	0	112.6	V82 D382 R388	V82-A384 HydrophobicContact CG1-CB 4.29Å; V82-A384 HydrophobicContact CG2-CB 3.61Å; D382-A384 VanDerWaalsContact C-N 3.26Å; D382-A384 PolarHBondContact O-N 3.41Å; A384-R388 VanDerWaalsContact O-CG 3.31Å; A384-R388 WeakPolarHBondContact O-CG 3.15Å; A384-R388 PolarHBondContact O-N 3.48Å; A384-R388 PolarHBondContact O-NH1 3.21Å
385	D	71.4	Confident	76.3	Confident	19 Å²	19	44.9 Å²	44.9	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-93.8	-41	-169	-41.6	-46.9	0	0	0	109.8	D382 A383 L387 R388 E389 M490	D382-D385 WeakPolarHBondContact CA-OD2 3.35Å; D382-D385 WeakPolarHBondContact O-CA 3.26Å; D382-D385 WeakPolarHBondContact O-CB 3.39Å; D382-D385 PolarHBondContact O-N 2.85Å; A383-D385 PolarHBondContact O-N 3.33Å; D385-L387 VanDerWaalsContact C-N 3.3Å; D385-L387 PolarHBondContact O-N 3.07Å; D385-R388 CarbonylContact O-C 3.59Å; D385-R388 WeakPolarHBondContact O-CA 3.43Å; D385-R388 PolarHBondContact O-N 2.68Å; D385-R388 IonicContact OD1-CZ 2.66Å; D385-R388 IonicContact OD1-NH1 3.03Å; D385-R388 PolarHBondContact OD1-NH1 3.1Å; D385-R388 IonicContact OD1-NH2 2.67Å; D385-R388 PolarHBondContact OD1-NH2 3.14Å; D385-E389 PolarHBondContact O-N 3.3Å; D385-M490 HydrophobicContact CB-CE 4.17Å; D385-M490 HydrophobicContact CB-CG 3.86Å; D385-M490 HydrophobicContact CB-SD 3.78Å; D385-M490 VanDerWaalsContact CG-CE 3.44Å; D385-M490 WeakPolarHBondContact OD2-CE 3.31Å
386	F	76.7	Confident	76.2	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-54.1	-43.2	164.4	-170	-97	0	0	0	112	K374 L376 D382 R388 E389 A390 F414 I416	K374-F386 HydrophobicContact CG-CE2 4.2Å; K374-F386 WeakPolarHBondContact O-CZ 3.47Å; L376-F386 HydrophobicContact CB-CD1 4.16Å; L376-F386 HydrophobicContact CB-CD2 4Å; L376-F386 HydrophobicContact CB-CE1 4.14Å; L376-F386 HydrophobicContact CB-CE2 3.96Å; L376-F386 HydrophobicContact CB-CG 4.08Å; L376-F386 HydrophobicContact CB-CZ 4.02Å; L376-F386 HydrophobicContact CD1-CB 3.94Å; L376-F386 HydrophobicContact CD1-CD2 3.91Å; L376-F386 HydrophobicContact CD1-CG 3.99Å; L376-F386 HydrophobicContact CD2-CB 4.24Å; L376-F386 HydrophobicContact CD2-CD1 4.35Å; L376-F386 HydrophobicContact CD2-CG 4.27Å; L376-F386 HydrophobicContact CG-CD2 4.46Å; L376-F386 HydrophobicContact CG-CG 4.34Å; D382-F386 PolarHBondContact O-N 2.83Å; F386-R388 PolarHBondContact O-N 2.85Å; F386-E389 WeakPolarHBondContact O-CB 3.35Å; F386-E389 PolarHBondContact O-N 3.42Å; F386-A390 PolarHBondContact O-N 2.96Å; F386-F414 HydrophobicContact CD1-CB 3.85Å; F386-F414 HydrophobicContact CE1-CB 3.49Å; F386-F414 VanDerWaalsContact CE1-CB 3.49Å; F386-F414 HydrophobicContact CZ-CB 4.47Å; F386-F414 WeakPolarHBondContact CZ-O 3.13Å; F386-I416 HydrophobicContact CD1-CD1 4.07Å; F386-I416 HydrophobicContact CD1-CG1 4.23Å; F386-I416 HydrophobicContact CD2-CD1 3.88Å; F386-I416 HydrophobicContact CE1-CD1 3.89Å; F386-I416 HydrophobicContact CE1-CG1 3.65Å; F386-I416 HydrophobicContact CE2-CD1 3.72Å; F386-I416 HydrophobicContact CE2-CG1 4.12Å; F386-I416 HydrophobicContact CG-CD1 4.06Å; F386-I416 HydrophobicContact CZ-CB 4.06Å; F386-I416 HydrophobicContact CZ-CD1 3.73Å; F386-I416 HydrophobicContact CZ-CG1 3.61Å; F386-I416 WeakPolarHBondContact O-CD1 3.28Å
387	L	80.4	Confident	76.6	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-31.4	174.3	-66.2	177.7	0	0	0	112.9	V85 V86 I89 A383 D385 A390 Q391 T409 F414	V85-L387 HydrophobicContact CG1-CB 3.74Å; V85-L387 HydrophobicContact CG1-CD1 4.15Å; V86-L387 HydrophobicContact CG2-CD1 3.98Å; I89-L387 HydrophobicContact CD1-CD2 4.15Å; A383-L387 VanDerWaalsContact O-CG 3.25Å; A383-L387 WeakPolarHBondContact O-CG 3.38Å; A383-L387 PolarHBondContact O-N 3.45Å; A383-L387 VanDerWaalsContact O-N 3.1Å; D385-L387 VanDerWaalsContact C-N 3.3Å; D385-L387 PolarHBondContact O-N 3.07Å; L387-A390 PolarHBondContact O-N 2.93Å; L387-Q391 WeakPolarHBondContact O-CG 3.26Å; L387-Q391 PolarHBondContact O-N 2.88Å; L387-T409 HydrophobicContact CD2-CG2 3.4Å; L387-T409 VanDerWaalsContact CD2-CG2 3.4Å; L387-F414 HydrophobicContact CD1-CE2 4.22Å; L387-F414 HydrophobicContact CD2-CD2 4.3Å; L387-F414 HydrophobicContact CG-CD2 4.42Å
388	R	79.5	Confident	77.5	Confident	81 Å²	81	46.5 Å²	46.5	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-72.3	-30.5	173.9	-75.1	-169.7	-39.9	-88.9	9.3	113	A384 D385 F386 T392 M490	A384-R388 VanDerWaalsContact O-CG 3.31Å; A384-R388 WeakPolarHBondContact O-CG 3.15Å; A384-R388 PolarHBondContact O-N 3.48Å; A384-R388 PolarHBondContact O-NH1 3.21Å; D385-R388 CarbonylContact O-C 3.59Å; D385-R388 WeakPolarHBondContact O-CA 3.43Å; D385-R388 PolarHBondContact O-N 2.68Å; D385-R388 IonicContact OD1-CZ 2.66Å; D385-R388 IonicContact OD1-NH1 3.03Å; D385-R388 PolarHBondContact OD1-NH1 3.1Å; D385-R388 IonicContact OD1-NH2 2.67Å; D385-R388 PolarHBondContact OD1-NH2 3.14Å; F386-R388 PolarHBondContact O-N 2.85Å; R388-T392 WeakPolarHBondContact O-CB 3.48Å; R388-T392 PolarHBondContact O-N 3.24Å; R388-T392 PolarHBondContact O-OG1 3.49Å; R388-M490 PolarHBondContact NH2-SD 2.84Å
389	E	79.7	Confident	78.7	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-57.1	167.9	-177	-179.5	-169.8	0	0	109.5	K374 D385 F386 Q391 T392 M393 I416 L487	K374-E389 IonicContact NZ-OE1 3.51Å; K374-E389 PolarHBondContact NZ-OE1 2.66Å; K374-E389 IonicContact NZ-OE2 3.78Å; K374-E389 PolarHBondContact NZ-OE2 2.78Å; D385-E389 PolarHBondContact O-N 3.3Å; F386-E389 WeakPolarHBondContact O-CB 3.35Å; F386-E389 PolarHBondContact O-N 3.42Å; E389-Q391 PolarHBondContact O-N 3.1Å; E389-T392 WeakPolarHBondContact O-CA 3.29Å; E389-T392 VanDerWaalsContact O-CB 3.31Å; E389-T392 WeakPolarHBondContact O-CB 3.26Å; E389-T392 PolarHBondContact O-N 3.32Å; E389-M393 HydrophobicContact CG-SD 4.12Å; E389-M393 WeakPolarHBondContact O-CG 3.43Å; E389-M393 PolarHBondContact O-N 2.86Å; E389-I416 HydrophobicContact CB-CD1 4.1Å; E389-I416 HydrophobicContact CG-CD1 4.02Å; E389-I416 WeakPolarHBondContact OE2-CD1 3.36Å; E389-L487 HydrophobicContact CB-CD2 3.73Å; E389-L487 HydrophobicContact CG-CD2 3.57Å; E389-L487 HydrophobicContact CG-CG 4.36Å; E389-L487 WeakPolarHBondContact OE2-CD2 3.2Å
390	A	84.5	Confident	80.3	Confident	6 Å²	6	42.3 Å²	42.3	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-43.7	177.9	0	0	0	0	0	113.3	F386 L387 T392 M393 K394 L404 V407 I416	F386-A390 PolarHBondContact O-N 2.96Å; L387-A390 PolarHBondContact O-N 2.93Å; A390-T392 PolarHBondContact O-N 3.49Å; A390-M393 PolarHBondContact O-N 3.39Å; A390-K394 WeakPolarHBondContact O-CB 3.1Å; A390-K394 PolarHBondContact O-N 3.39Å; A390-L404 HydrophobicContact CB-CD2 4.44Å; A390-L404 WeakPolarHBondContact O-CD2 3.4Å; A390-V407 HydrophobicContact CB-CG1 3.57Å; A390-I416 HydrophobicContact CB-CD1 4.29Å; A390-I416 HydrophobicContact CB-CG1 4.11Å
391	Q	84	Confident	81.9	Confident	26 Å²	26	40.9 Å²	40.9	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-30	176	-76.3	-167	-19.8	0	0	113.6	L387 E389 R395	L387-Q391 WeakPolarHBondContact O-CG 3.26Å; L387-Q391 PolarHBondContact O-N 2.88Å; E389-Q391 PolarHBondContact O-N 3.1Å; Q391-R395 WeakPolarHBondContact O-CG 2.93Å
392	T	84.1	Confident	83.7	Confident	28 Å²	28	35.4 Å²	35.4	17%	0.172	18%	0.175	C	C	.	.	H	α-helix	trans	-71.3	-51.7	176.5	-64.4	0	0	0	0	109.9	R388 E389 A390 K394 R395 L396 H462 F485	R388-T392 WeakPolarHBondContact O-CB 3.48Å; R388-T392 PolarHBondContact O-N 3.24Å; R388-T392 PolarHBondContact O-OG1 3.49Å; E389-T392 WeakPolarHBondContact O-CA 3.29Å; E389-T392 VanDerWaalsContact O-CB 3.31Å; E389-T392 WeakPolarHBondContact O-CB 3.26Å; E389-T392 PolarHBondContact O-N 3.32Å; A390-T392 PolarHBondContact O-N 3.49Å; T392-K394 VanDerWaalsContact C-N 3.33Å; T392-K394 PolarHBondContact O-N 2.95Å; T392-R395 PolarHBondContact O-N 3.3Å; T392-L396 HydrophobicContact CG2-CD1 3.77Å; T392-L396 WeakPolarHBondContact O-CG 3.32Å; T392-H462 WeakPolarHBondContact CG2-CE1 3.3Å; T392-F485 HydrophobicContact CG2-CD2 4.3Å
393	M	86.8	Confident	84.7	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-39.9	178.6	-57.1	173	72.1	0	0	112.2	E389 A390 R395 L396 I402 L404 I416 T418 F485	E389-M393 HydrophobicContact CG-SD 4.12Å; E389-M393 WeakPolarHBondContact O-CG 3.43Å; E389-M393 PolarHBondContact O-N 2.86Å; A390-M393 PolarHBondContact O-N 3.39Å; M393-R395 PolarHBondContact O-N 2.73Å; M393-L396 PolarHBondContact O-N 3.19Å; M393-L396 VanDerWaalsContact O-N 3.13Å; M393-I402 HydrophobicContact CE-CG2 3.64Å; M393-L404 HydrophobicContact CB-CB 3.7Å; M393-L404 HydrophobicContact CB-CD2 4.26Å; M393-L404 HydrophobicContact CB-CG 4.45Å; M393-L404 HydrophobicContact CE-CB 4.17Å; M393-L404 HydrophobicContact SD-CD1 4.45Å; M393-I416 HydrophobicContact SD-CG2 4.41Å; M393-T418 HydrophobicContact CE-CG2 3.64Å; M393-F485 HydrophobicContact CB-CE2 4.37Å; M393-F485 HydrophobicContact CB-CZ 4.48Å; M393-F485 HydrophobicContact CG-CE2 3.92Å; M393-F485 HydrophobicContact CG-CZ 4.07Å
394	K	83.9	Confident	85.4	Confident	90 Å²	90	34.4 Å²	34.4	39%	0.391	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.7	174.4	174.9	166	176.8	164.6	0	114.3	W339 A390 T392 H397 L404	W339-K394 HydrophobicContact CD2-CD 3.96Å; W339-K394 HydrophobicContact CD2-CG 4.19Å; W339-K394 HydrophobicContact CG-CD 3.96Å; W339-K394 HydrophobicContact CH2-CG 4.44Å; W339-K394 HydrophobicContact CZ2-CD 4.41Å; W339-K394 HydrophobicContact CZ2-CG 3.92Å; A390-K394 WeakPolarHBondContact O-CB 3.1Å; A390-K394 PolarHBondContact O-N 3.39Å; T392-K394 VanDerWaalsContact C-N 3.33Å; T392-K394 PolarHBondContact O-N 2.95Å; K394-H397 PolarHBondContact O-CE1 2.55Å; K394-L404 HydrophobicContact CB-CD2 3.97Å
395	R	85.5	Confident	86.1	Confident	145 Å²	145	34.2 Å²	34.2	55%	0.547	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.3	-176.3	-63.5	176	-174.7	-176.6	2.9	113.9	Q391 T392 M393 R460	Q391-R395 WeakPolarHBondContact O-CG 2.93Å; T392-R395 PolarHBondContact O-N 3.3Å; M393-R395 PolarHBondContact O-N 2.73Å; R395-R460 PolarHBondContact O-NH2 3.39Å
396	L	88.2	Confident	87	Confident	10 Å²	10	33.3 Å²	33.3	5%	0.052	16%	0.156	C	C	.	.			trans	-127	105	-170.4	-64.5	174.2	0	0	0	109.1	T392 M393 L401 Y456 L457 R460 H462 F485	T392-L396 HydrophobicContact CG2-CD1 3.77Å; T392-L396 WeakPolarHBondContact O-CG 3.32Å; M393-L396 PolarHBondContact O-N 3.19Å; M393-L396 VanDerWaalsContact O-N 3.13Å; L396-L401 HydrophobicContact CB-CD1 4.1Å; L396-Y456 HydrophobicContact CB-CE1 4.13Å; L396-Y456 HydrophobicContact CD2-CE1 3.85Å; L396-L457 HydrophobicContact CD1-CD2 3.77Å; L396-L457 HydrophobicContact CD2-CD2 4.28Å; L396-R460 HydrophobicContact CD2-CB 3.77Å; L396-R460 HydrophobicContact CD2-CG 3.88Å; L396-H462 HydrophobicContact CD1-CB 4.49Å; L396-F485 HydrophobicContact CB-CE2 4.05Å; L396-F485 HydrophobicContact CD1-CD2 3.77Å; L396-F485 HydrophobicContact CD1-CE2 3.69Å
397	H	88.2	Confident	87.8	Confident	86 Å²	86	33.5 Å²	33.5	40%	0.398	16%	0.157	S	C	.	.			trans	-122.2	116.3	-176.9	-65	92.9	0	0	0	108.7	W339 K394 Q403 Y456	W339-H397 AromaticContact CH2-NE2 3.84Å; K394-H397 PolarHBondContact O-CE1 2.55Å; H397-Q403 PolarHBondContact CD2-NE2 3.2Å; H397-Q403 VanDerWaalsContact CD2-NE2 3.3Å; H397-Q403 PolarHBondContact CD2-OE1 2.86Å; H397-Q403 PolarHBondContact NE2-NE2 3.47Å; H397-Y456 PolarHBondContact N-OH 3.28Å; H397-Y456 WeakPolarHBondContact O-CE2 3.22Å; H397-Y456 PolarHBondContact O-OH 2.8Å
398	H	91.3	Very high	88.3	Confident	39 Å²	39	33.3 Å²	33.3	18%	0.181	16%	0.156	C	C	.	.			trans	-160.9	141.8	179.6	-174.4	-95.6	0	0	0	109.4	N400 L401 S452 Y456	H398-N400 PolarHBondContact ND1-N 3.06Å; H398-N400 VanDerWaalsContact ND1-N 3.19Å; H398-N400 PolarHBondContact O-N 2.87Å; H398-N400 VanDerWaalsContact O-N 3.08Å; H398-L401 HydrophobicContact CB-CB 4.31Å; H398-L401 HydrophobicContact CB-CD1 4.03Å; H398-L401 HydrophobicContact CB-CG 3.92Å; H398-L401 PolarHBondContact O-N 3.3Å; H398-S452 PolarHBondContact CE1-OG 2.77Å; H398-Y456 HydrophobicContact CB-CD1 3.75Å; H398-Y456 HydrophobicContact CB-CD2 4.16Å; H398-Y456 HydrophobicContact CB-CE1 4.09Å; H398-Y456 HydrophobicContact CB-CE2 4.46Å; H398-Y456 HydrophobicContact CB-CG 3.78Å; H398-Y456 AromaticContact CD2-CD2 3.8Å; H398-Y456 AromaticContact CD2-CG 3.71Å; H398-Y456 AromaticContact CG-CG 3.82Å
399	P	90.3	Very high	88.7	Confident	88 Å²	88	30.2 Å²	30.2	57%	0.571	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.6	-177.4	20	-34.3	0	0	0	114.6	K481	P399-K481 WeakPolarHBondContact O-CE 3.32Å
400	N	94.6	Very high	89	Confident	22 Å²	22	35.4 Å²	35.4	12%	0.118	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	19.9	178.3	-53.8	104.9	0	0	0	114.7	H398 K449 V480 K481 I482	H398-N400 PolarHBondContact ND1-N 3.06Å; H398-N400 VanDerWaalsContact ND1-N 3.19Å; H398-N400 PolarHBondContact O-N 2.87Å; H398-N400 VanDerWaalsContact O-N 3.08Å; N400-K449 WeakPolarHBondContact CB-O 3.08Å; N400-K449 PolarHBondContact OD1-O 3.48Å; N400-V480 PolarHBondContact ND2-O 3.26Å; N400-K481 WeakPolarHBondContact O-CA 3.41Å; N400-I482 PolarHBondContact O-N 2.89Å
401	L	94.6	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-114.9	145.6	166.8	-66	-174.3	0	0	0	109.6	L396 H398 Q403 Y456 L457 I482 F485	L396-L401 HydrophobicContact CB-CD1 4.1Å; H398-L401 HydrophobicContact CB-CB 4.31Å; H398-L401 HydrophobicContact CB-CD1 4.03Å; H398-L401 HydrophobicContact CB-CG 3.92Å; H398-L401 PolarHBondContact O-N 3.3Å; L401-Q403 PolarHBondContact O-N 2.73Å; L401-Y456 HydrophobicContact CD1-CD1 3.63Å; L401-Y456 HydrophobicContact CD1-CE1 3.79Å; L401-L457 HydrophobicContact CD1-CD2 3.69Å; L401-L457 HydrophobicContact CD1-CG 4.21Å; L401-L457 HydrophobicContact CD2-CD1 4.03Å; L401-L457 HydrophobicContact CD2-CD2 4.29Å; L401-L457 HydrophobicContact CD2-CG 4.09Å; L401-I482 HydrophobicContact CD2-CB 3.81Å; L401-I482 HydrophobicContact CD2-CD1 3.95Å; L401-I482 HydrophobicContact CD2-CG1 4.36Å; L401-I482 HydrophobicContact CD2-CG2 4.46Å; L401-F485 HydrophobicContact CB-CE1 3.8Å; L401-F485 HydrophobicContact CB-CZ 4.05Å; L401-F485 HydrophobicContact CD1-CE1 4.38Å; L401-F485 HydrophobicContact CD1-CZ 4.21Å; L401-F485 HydrophobicContact CD2-CD1 4.07Å; L401-F485 HydrophobicContact CD2-CE1 4.04Å; L401-F485 HydrophobicContact CG-CE1 4.28Å
402	I	93.1	Very high	89.1	Confident	7 Å²	7	43 Å²	43	4%	0.036	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-67.1	121.7	176.4	-158	70.3	0	0	0	110.4	M393 E419 M421 L473 K481 I482 A483 F485	M393-I402 HydrophobicContact CE-CG2 3.64Å; I402-E419 HydrophobicContact CD1-CG 3.36Å; I402-E419 HydrophobicContact CG1-CG 4.01Å; I402-M421 HydrophobicContact CD1-CG 3.41Å; I402-M421 VanDerWaalsContact CD1-CG 3.41Å; I402-M421 HydrophobicContact CD1-SD 3.98Å; I402-L473 HydrophobicContact CD1-CD1 3.9Å; I402-L473 HydrophobicContact CG1-CD1 4.25Å; I402-K481 HydrophobicContact CD1-CB 4.36Å; I402-K481 HydrophobicContact CD1-CD 4.31Å; I402-I482 PolarHBondContact N-O 2.92Å; I402-A483 HydrophobicContact CB-CB 4.25Å; I402-A483 HydrophobicContact CG2-CB 3.93Å; I402-F485 HydrophobicContact CG2-CE1 3.92Å
403	Q	89.7	Confident	89.2	Confident	31 Å²	31	43.5 Å²	43.5	15%	0.145	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-80.9	126.1	-173.1	-174.6	54.2	55.3	0	0	110.8	H397 L401 Y405 T418 E419	H397-Q403 PolarHBondContact CD2-NE2 3.2Å; H397-Q403 VanDerWaalsContact CD2-NE2 3.3Å; H397-Q403 PolarHBondContact CD2-OE1 2.86Å; H397-Q403 PolarHBondContact NE2-NE2 3.47Å; L401-Q403 PolarHBondContact O-N 2.73Å; Q403-Y405 HydrophobicContact CB-CE1 4.4Å; Q403-Y405 HydrophobicContact CG-CD1 4.07Å; Q403-Y405 HydrophobicContact CG-CE1 3.99Å; Q403-T418 VanDerWaalsContact O-CA 3.29Å; Q403-T418 WeakPolarHBondContact O-CA 3.49Å; Q403-T418 VanDerWaalsContact O-CB 3.29Å; Q403-T418 WeakPolarHBondContact O-CB 3.39Å; Q403-E419 VanDerWaalsContact CB-OE1 3.26Å; Q403-E419 WeakPolarHBondContact CB-OE1 3.19Å; Q403-E419 PolarHBondContact N-OE1 2.67Å; Q403-E419 PolarHBondContact O-N 3.38Å
404	L	90.4	Very high	89.4	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139	163.9	-177.4	71.4	0	0	0	108.9	W339 A390 M393 K394 V407 I416 V417	W339-L404 HydrophobicContact CD2-CD2 4.41Å; W339-L404 HydrophobicContact CE3-CB 4.38Å; W339-L404 HydrophobicContact CE3-CD2 3.45Å; W339-L404 VanDerWaalsContact CE3-CD2 3.45Å; W339-L404 HydrophobicContact CE3-CG 3.69Å; W339-L404 HydrophobicContact CZ3-CB 3.73Å; W339-L404 HydrophobicContact CZ3-CD2 3.56Å; W339-L404 HydrophobicContact CZ3-CG 3.56Å; W339-L404 VanDerWaalsContact CZ3-O 3.31Å; W339-L404 WeakPolarHBondContact CZ3-O 3.4Å; A390-L404 HydrophobicContact CB-CD2 4.44Å; A390-L404 WeakPolarHBondContact O-CD2 3.4Å; M393-L404 HydrophobicContact CB-CB 3.7Å; M393-L404 HydrophobicContact CB-CD2 4.26Å; M393-L404 HydrophobicContact CB-CG 4.45Å; M393-L404 HydrophobicContact CE-CB 4.17Å; M393-L404 HydrophobicContact SD-CD1 4.45Å; K394-L404 HydrophobicContact CB-CD2 3.97Å; L404-V407 HydrophobicContact CD1-CG1 4.42Å; L404-I416 HydrophobicContact CD1-CG2 3.69Å; L404-V417 WeakPolarHBondContact CD1-O 3.3Å
405	Y	90.3	Very high	89.8	Confident	13 Å²	13	41.7 Å²	41.7	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-44.5	175.6	-83.3	-7.8	0	0	0	111.9	L331 V371 Q403 V417 T418 E419	L331-Y405 HydrophobicContact CD2-CD2 3.54Å; L331-Y405 HydrophobicContact CD2-CE2 3.99Å; L331-Y405 HydrophobicContact CD2-CG 3.96Å; L331-Y405 HydrophobicContact CG-CD2 4.01Å; L331-Y405 HydrophobicContact CG-CG 3.9Å; V371-Y405 HydrophobicContact CG1-CD2 3.88Å; V371-Y405 HydrophobicContact CG1-CE2 4.25Å; Q403-Y405 HydrophobicContact CB-CE1 4.4Å; Q403-Y405 HydrophobicContact CG-CD1 4.07Å; Q403-Y405 HydrophobicContact CG-CE1 3.99Å; Y405-V417 WeakPolarHBondContact CA-O 3.39Å; Y405-V417 WeakPolarHBondContact CB-O 3.27Å; Y405-V417 PolarHBondContact N-O 3.46Å; Y405-T418 VanDerWaalsContact CD2-C 3.49Å; Y405-E419 HydrophobicContact CE1-CB 4.35Å; Y405-E419 VanDerWaalsContact CE2-CA 3.49Å; Y405-E419 HydrophobicContact CE2-CB 3.85Å
406	A	91.9	Very high	90	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	173.5	-179.1	0	0	0	0	0	112	L331 W339 I341 V417	L331-A406 HydrophobicContact CD1-CB 4.12Å; W339-A406 CarbonylContact O-C 3.55Å; W339-A406 VanDerWaalsContact O-CA 3.24Å; W339-A406 WeakPolarHBondContact O-CA 3.28Å; W339-A406 WeakPolarHBondContact O-CB 3.33Å; I341-A406 HydrophobicContact CB-CB 4.44Å; I341-A406 HydrophobicContact CD1-CB 3.59Å; I341-A406 HydrophobicContact CG1-CB 3.8Å; I341-A406 HydrophobicContact CG2-CB 3.88Å; A406-V417 HydrophobicContact CB-CB 4.12Å; A406-V417 HydrophobicContact CB-CG2 4.35Å; A406-V417 PolarHBondContact N-O 2.97Å; A406-V417 VanDerWaalsContact N-O 3.12Å; A406-V417 WeakPolarHBondContact O-CB 3.46Å; A406-V417 PolarHBondContact O-N 3.3Å
407	V	91.8	Very high	90.3	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.4	167.4	-63	0	0	0	0	110.5	W339 E340 I341 A390 L404 T409 Y415 I416	W339-V407 PolarHBondContact O-N 3.44Å; E340-V407 WeakPolarHBondContact CA-O 3.38Å; E340-V407 HydrophobicContact CB-CG2 4.49Å; I341-V407 PolarHBondContact N-O 3.15Å; A390-V407 HydrophobicContact CB-CG1 3.57Å; L404-V407 HydrophobicContact CD1-CG1 4.42Å; V407-T409 HydrophobicContact CB-CG2 4.04Å; V407-T409 HydrophobicContact CG2-CG2 3.94Å; V407-Y415 CarbonylContact C-O 3.57Å; V407-Y415 VanDerWaalsContact CA-O 3.28Å; V407-Y415 WeakPolarHBondContact CA-O 3.46Å; V407-I416 HydrophobicContact CG1-CG1 4.45Å
408	C	92.3	Very high	90.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	94.8	169.5	-53.9	0	0	0	0	109.2	I341 K343 F414 Y415	I341-C408 VanDerWaalsContact CG1-SG 3.58Å; K343-C408 HydrophobicContact CG-CB 3.61Å; C408-F414 WeakPolarHBondContact O-CA 3.2Å; C408-Y415 HydrophobicContact CB-CD2 3.96Å; C408-Y415 HydrophobicContact CB-CG 4.12Å; C408-Y415 PolarHBondContact N-O 2.83Å; C408-Y415 PolarHBondContact O-N 2.94Å
409	T	88.4	Confident	90.5	Very high	15 Å²	15	30.3 Å²	30.3	9%	0.092	16%	0.16	C	C	.	.			trans	-113.8	1.3	-170.8	43.9	0	0	0	0	114.8	E340 L387 V407 T411 F414	E340-T409 VanDerWaalsContact CD-OG1 3.28Å; E340-T409 PolarHBondContact OE1-OG1 3.26Å; L387-T409 HydrophobicContact CD2-CG2 3.4Å; L387-T409 VanDerWaalsContact CD2-CG2 3.4Å; V407-T409 HydrophobicContact CB-CG2 4.04Å; V407-T409 HydrophobicContact CG2-CG2 3.94Å; T409-T411 PolarHBondContact O-N 2.78Å; T409-F414 HydrophobicContact CG2-CG 4.48Å; T409-F414 WeakPolarHBondContact O-CE1 3.37Å
410	Q	85.8	Confident	90.7	Very high	118 Å²	118	28.8 Å²	28.8	55%	0.551	14%	0.144	S	C	*	.	S	Bend	trans	-70	-31.3	-178.6	-59	-179.6	11.2	0	0	113.1	E340	E340-Q410 HydrophobicContact CG-CG 4.17Å; E340-Q410 WeakPolarHBondContact OE1-CG 3.35Å; E340-Q410 PolarHBondContact OE1-N 3.47Å
411	T	85.8	Confident	90.7	Very high	82 Å²	82	28.5 Å²	28.5	50%	0.503	14%	0.141	S	C	.	.	S	Bend	trans	-144	153.3	178.2	61.4	0	0	0	0	110.4	K343 T409 F414	K343-T411 VanDerWaalsContact CE-O 3.22Å; K343-T411 WeakPolarHBondContact CE-O 3.42Å; K343-T411 PolarHBondContact NZ-O 3.19Å; K343-T411 PolarHBondContact NZ-OG1 2.88Å; T409-T411 PolarHBondContact O-N 2.78Å; T411-F414 WeakPolarHBondContact O-CD1 3.29Å
412	E	84.6	Confident	90.6	Very high	110 Å²	110	30.2 Å²	30.2	51%	0.514	15%	0.154	S	C	.	.	S	Bend	trans	-75.2	157.2	168.3	-76.2	-173.4	-160	0	0	112.1	K343 F414	K343-E412 PolarHBondContact NZ-O 3.1Å; E412-F414 HydrophobicContact CG-CD1 4.24Å; E412-F414 HydrophobicContact CG-CE1 3.92Å; E412-F414 HydrophobicContact CG-CZ 4.15Å
413	P	86.7	Confident	90.6	Very high	38 Å²	38	32.7 Å²	32.7	25%	0.247	16%	0.164	C	C	.	.	S	Bend	cis	-63.6	139.9	-14.5	27.3	-35.1	0	0	0	111.5	K343 L376 P378 Y415	K343-P413 WeakPolarHBondContact CE-O 3.42Å; K343-P413 PolarHBondContact NZ-O 2.96Å; L376-P413 WeakPolarHBondContact O-CB 3.33Å; P378-P413 HydrophobicContact CG-CB 4.34Å; P413-Y415 HydrophobicContact CG-CE1 4.02Å
414	F	89.1	Confident	90.9	Very high	29 Å²	29	31.2 Å²	31.2	13%	0.127	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-71.2	148.1	177.5	-61.2	-30	0	0	0	111.4	L376 A383 F386 L387 C408 T409 T411 E412	L376-F414 HydrophobicContact CB-CB 4.36Å; L376-F414 HydrophobicContact CD2-CB 4.48Å; L376-F414 HydrophobicContact CD2-CD2 4.05Å; L376-F414 PolarHBondContact N-O 3.48Å; A383-F414 HydrophobicContact CB-CD2 4.44Å; A383-F414 HydrophobicContact CB-CE2 4.14Å; F386-F414 HydrophobicContact CD1-CB 3.85Å; F386-F414 HydrophobicContact CE1-CB 3.49Å; F386-F414 VanDerWaalsContact CE1-CB 3.49Å; F386-F414 HydrophobicContact CZ-CB 4.47Å; F386-F414 WeakPolarHBondContact CZ-O 3.13Å; L387-F414 HydrophobicContact CD1-CE2 4.22Å; L387-F414 HydrophobicContact CD2-CD2 4.3Å; L387-F414 HydrophobicContact CG-CD2 4.42Å; C408-F414 WeakPolarHBondContact O-CA 3.2Å; T409-F414 HydrophobicContact CG2-CG 4.48Å; T409-F414 WeakPolarHBondContact O-CE1 3.37Å; T411-F414 WeakPolarHBondContact O-CD1 3.29Å; E412-F414 HydrophobicContact CG-CD1 4.24Å; E412-F414 HydrophobicContact CG-CE1 3.92Å; E412-F414 HydrophobicContact CG-CZ 4.15Å
415	Y	92.6	Very high	91.1	Very high	31 Å²	31	31.1 Å²	31.1	12%	0.122	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.4	175.4	-58.6	-20.1	0	0	0	111.4	K343 I346 V373 K374 T375 V407 C408 P413	K343-Y415 HydrophobicContact CB-CE2 4.42Å; K343-Y415 HydrophobicContact CD-CD2 4.5Å; K343-Y415 HydrophobicContact CD-CE2 4.03Å; K343-Y415 HydrophobicContact CG-CD2 4.1Å; K343-Y415 HydrophobicContact CG-CE2 3.93Å; I346-Y415 HydrophobicContact CG2-CD2 4.5Å; I346-Y415 HydrophobicContact CG2-CE2 4.47Å; V373-Y415 HydrophobicContact CG1-CD1 4.1Å; V373-Y415 HydrophobicContact CG1-CD2 3.99Å; V373-Y415 HydrophobicContact CG1-CG 3.71Å; K374-Y415 WeakPolarHBondContact O-CA 3.18Å; T375-Y415 HydrophobicContact CG2-CD1 3.73Å; T375-Y415 HydrophobicContact CG2-CE1 3.6Å; V407-Y415 CarbonylContact C-O 3.57Å; V407-Y415 VanDerWaalsContact CA-O 3.28Å; V407-Y415 WeakPolarHBondContact CA-O 3.46Å; C408-Y415 HydrophobicContact CB-CD2 3.96Å; C408-Y415 HydrophobicContact CB-CG 4.12Å; C408-Y415 PolarHBondContact N-O 2.83Å; C408-Y415 PolarHBondContact O-N 2.94Å; P413-Y415 HydrophobicContact CG-CE1 4.02Å
416	I	91.3	Very high	91.5	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.5	159.5	-73.1	164.8	0	0	0	106.5	V373 K374 F386 E389 A390 M393 L404 V407 T418	V373-I416 WeakPolarHBondContact CA-O 3.45Å; K374-I416 HydrophobicContact CB-CB 4.28Å; K374-I416 PolarHBondContact N-O 3.09Å; K374-I416 PolarHBondContact O-N 3.18Å; F386-I416 HydrophobicContact CD1-CD1 4.07Å; F386-I416 HydrophobicContact CD1-CG1 4.23Å; F386-I416 HydrophobicContact CD2-CD1 3.88Å; F386-I416 HydrophobicContact CE1-CD1 3.89Å; F386-I416 HydrophobicContact CE1-CG1 3.65Å; F386-I416 HydrophobicContact CE2-CD1 3.72Å; F386-I416 HydrophobicContact CE2-CG1 4.12Å; F386-I416 HydrophobicContact CG-CD1 4.06Å; F386-I416 HydrophobicContact CZ-CB 4.06Å; F386-I416 HydrophobicContact CZ-CD1 3.73Å; F386-I416 HydrophobicContact CZ-CG1 3.61Å; F386-I416 WeakPolarHBondContact O-CD1 3.28Å; E389-I416 HydrophobicContact CB-CD1 4.1Å; E389-I416 HydrophobicContact CG-CD1 4.02Å; E389-I416 WeakPolarHBondContact OE2-CD1 3.36Å; A390-I416 HydrophobicContact CB-CD1 4.29Å; A390-I416 HydrophobicContact CB-CG1 4.11Å; M393-I416 HydrophobicContact SD-CG2 4.41Å; L404-I416 HydrophobicContact CD1-CG2 3.69Å; V407-I416 HydrophobicContact CG1-CG1 4.45Å; I416-T418 HydrophobicContact CG2-CG2 3.96Å
417	V	93.5	Very high	91.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.8	-179.3	-170.7	0	0	0	0	108.4	I341 I346 V371 A372 V373 L404 Y405 A406	I341-V417 HydrophobicContact CD1-CG2 4.24Å; I346-V417 HydrophobicContact CD1-CG1 4.24Å; I346-V417 HydrophobicContact CD1-CG2 4.18Å; V371-V417 HydrophobicContact CB-CG1 3.7Å; V371-V417 HydrophobicContact CG1-CG1 4.02Å; V371-V417 HydrophobicContact CG2-CG1 3.72Å; A372-V417 WeakPolarHBondContact O-CA 3.44Å; V373-V417 HydrophobicContact CG2-CG1 4.36Å; V373-V417 HydrophobicContact CG2-CG2 4.28Å; L404-V417 WeakPolarHBondContact CD1-O 3.3Å; Y405-V417 WeakPolarHBondContact CA-O 3.39Å; Y405-V417 WeakPolarHBondContact CB-O 3.27Å; Y405-V417 PolarHBondContact N-O 3.46Å; A406-V417 HydrophobicContact CB-CB 4.12Å; A406-V417 HydrophobicContact CB-CG2 4.35Å; A406-V417 PolarHBondContact N-O 2.97Å; A406-V417 VanDerWaalsContact N-O 3.12Å; A406-V417 WeakPolarHBondContact O-CB 3.46Å; A406-V417 PolarHBondContact O-N 3.3Å
418	T	93	Very high	92	Very high	20 Å²	20	33.8 Å²	33.8	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	173.6	179.5	66.1	0	0	0	0	110.4	V371 A372 M393 Q403 Y405 I416	V371-T418 WeakPolarHBondContact CA-O 2.99Å; V371-T418 WeakPolarHBondContact CB-O 3.33Å; A372-T418 PolarHBondContact N-O 3.2Å; A372-T418 PolarHBondContact O-N 2.8Å; M393-T418 HydrophobicContact CE-CG2 3.64Å; Q403-T418 VanDerWaalsContact O-CA 3.29Å; Q403-T418 WeakPolarHBondContact O-CA 3.49Å; Q403-T418 VanDerWaalsContact O-CB 3.29Å; Q403-T418 WeakPolarHBondContact O-CB 3.39Å; Y405-T418 VanDerWaalsContact CD2-C 3.49Å; I416-T418 HydrophobicContact CG2-CG2 3.96Å
419	E	91.1	Very high	92.2	Very high	19 Å²	19	33.9 Å²	33.9	9%	0.089	17%	0.172	C	C	.	.			trans	-55.8	154.6	160.3	69.4	-173.7	123.3	0	0	111.8	I402 Q403 Y405 M421 K481	I402-E419 HydrophobicContact CD1-CG 3.36Å; I402-E419 HydrophobicContact CG1-CG 4.01Å; Q403-E419 VanDerWaalsContact CB-OE1 3.26Å; Q403-E419 WeakPolarHBondContact CB-OE1 3.19Å; Q403-E419 PolarHBondContact N-OE1 2.67Å; Q403-E419 PolarHBondContact O-N 3.38Å; Y405-E419 HydrophobicContact CE1-CB 4.35Å; Y405-E419 VanDerWaalsContact CE2-CA 3.49Å; Y405-E419 HydrophobicContact CE2-CB 3.85Å; E419-M421 HydrophobicContact CG-SD 4.44Å; E419-K481 WeakPolarHBondContact OE1-CD 3.19Å; E419-K481 IonicContact OE1-NZ 2.69Å; E419-K481 PolarHBondContact OE1-NZ 3.35Å; E419-K481 VanDerWaalsContact OE2-CE 3.26Å; E419-K481 WeakPolarHBondContact OE2-CE 3.43Å; E419-K481 IonicContact OE2-NZ 2.72Å; E419-K481 PolarHBondContact OE2-NZ 3.45Å
420	Y	94.1	Very high	92.7	Very high	57 Å²	57	33.2 Å²	33.2	22%	0.224	17%	0.168	C	C	.	.			trans	-103.2	126.4	178.4	172.6	-99.7	0	0	0	110.3	I352 K362 I370 A372	I352-Y420 HydrophobicContact CD1-CD2 3.95Å; I352-Y420 HydrophobicContact CD1-CE2 3.72Å; I352-Y420 HydrophobicContact CG2-CE2 4.44Å; K362-Y420 HydrophobicContact CB-CD2 4.24Å; K362-Y420 HydrophobicContact CB-CE2 3.9Å; K362-Y420 HydrophobicContact CD-CE1 4.5Å; K362-Y420 HydrophobicContact CD-CE2 3.93Å; K362-Y420 HydrophobicContact CG-CD2 3.95Å; K362-Y420 HydrophobicContact CG-CE2 3.72Å; I370-Y420 HydrophobicContact CG2-CD1 3.82Å; I370-Y420 HydrophobicContact CG2-CG 3.85Å; A372-Y420 HydrophobicContact CB-CD2 4.37Å
421	M	93.9	Very high	93.2	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.074	17%	0.165	C	C	.	.			trans	-103.8	106.6	-178.4	-62.7	-66.6	-76.7	0	0	109.4	I402 E419 K423 G424 L473 V474 G475 A479 K481	I402-M421 HydrophobicContact CD1-CG 3.41Å; I402-M421 VanDerWaalsContact CD1-CG 3.41Å; I402-M421 HydrophobicContact CD1-SD 3.98Å; E419-M421 HydrophobicContact CG-SD 4.44Å; M421-K423 PolarHBondContact O-N 3.06Å; M421-G424 PolarHBondContact O-N 3.29Å; M421-L473 HydrophobicContact CB-CB 3.71Å; M421-L473 HydrophobicContact CB-CD1 4.21Å; M421-L473 HydrophobicContact CE-CB 4.15Å; M421-L473 WeakPolarHBondContact CE-O 3.18Å; M421-L473 HydrophobicContact CG-CB 3.66Å; M421-L473 HydrophobicContact CG-CD1 3.95Å; M421-L473 HydrophobicContact CG-CG 4.46Å; M421-V474 CarbonylContact C-O 3.57Å; M421-G475 VanDerWaalsContact CE-N 3.35Å; M421-A479 WeakPolarHBondContact CE-O 3.29Å; M421-K481 HydrophobicContact CE-CB 3.88Å; M421-K481 HydrophobicContact CE-CD 3.99Å; M421-K481 HydrophobicContact CE-CG 3.68Å; M421-K481 HydrophobicContact SD-CD 3.99Å; M421-K481 HydrophobicContact SD-CG 4.35Å
422	S	92.9	Very high	93.7	Very high	38 Å²	38	30 Å²	30	27%	0.266	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.1	-162.4	53	0	0	0	0	115.9	E476	S422-E476 WeakPolarHBondContact CB-OE1 3.26Å; S422-E476 VanDerWaalsContact OG-CD 3.3Å; S422-E476 PolarHBondContact OG-N 3.25Å; S422-E476 PolarHBondContact OG-OE1 3.22Å
423	K	94.4	Very high	94.2	Very high	58 Å²	58	30.6 Å²	30.6	25%	0.252	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	1.8	-179.6	-51.4	-69.9	-175.7	157.6	0	113	M421 Y429 E434 V474 G475 E476	M421-K423 PolarHBondContact O-N 3.06Å; K423-Y429 HydrophobicContact CB-CD2 3.75Å; K423-Y429 HydrophobicContact CB-CE2 4.18Å; K423-Y429 HydrophobicContact CB-CG 4.43Å; K423-Y429 HydrophobicContact CD-CE2 4.28Å; K423-Y429 HydrophobicContact CG-CD2 4.27Å; K423-Y429 HydrophobicContact CG-CE2 4.19Å; K423-E434 IonicContact NZ-OE1 3.35Å; K423-E434 PolarHBondContact NZ-OE1 2.92Å; K423-E434 IonicContact NZ-OE2 2.65Å; K423-E434 PolarHBondContact NZ-OE2 2.74Å; K423-V474 WeakPolarHBondContact CA-O 3.2Å; K423-V474 HydrophobicContact CB-CB 3.91Å; K423-V474 HydrophobicContact CB-CG1 3.96Å; K423-V474 WeakPolarHBondContact CB-O 3.28Å; K423-V474 HydrophobicContact CG-CG1 4.26Å; K423-V474 PolarHBondContact N-O 3.4Å; K423-G475 VanDerWaalsContact CG-O 3.28Å; K423-G475 WeakPolarHBondContact CG-O 3.23Å; K423-E476 VanDerWaalsContact CE-OE2 3.3Å; K423-E476 WeakPolarHBondContact CE-OE2 3.33Å; K423-E476 IonicContact NZ-OE2 3.94Å
424	G	94.2	Very high	94.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-144.8	176.2	0	0	0	0	0	114	M421 L473 V474	M421-G424 PolarHBondContact O-N 3.29Å; G424-L473 CarbonylContact O-C 3.54Å; G424-L473 VanDerWaalsContact O-CA 3.27Å; G424-L473 WeakPolarHBondContact O-CA 3.49Å; G424-V474 PolarHBondContact N-O 2.83Å; G424-V474 PolarHBondContact O-N 3.49Å
425	S	95.6	Very high	94.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	149.4	179.5	64.3	0	0	0	0	112	L427 N428 Y429 V472	S425-L427 PolarHBondContact O-N 3.11Å; S425-N428 PolarHBondContact O-N 3.34Å; S425-N428 VanDerWaalsContact O-N 3.12Å; S425-Y429 WeakPolarHBondContact O-CB 3.33Å; S425-Y429 PolarHBondContact O-N 2.69Å; S425-V472 CarbonylContact C-O 3.57Å; S425-V472 VanDerWaalsContact CA-O 3.3Å; S425-V472 WeakPolarHBondContact CA-O 3.46Å
426	L	98	Very high	94.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-35.3	178.6	178.1	62.8	0	0	0	111.5	Y429 L430 M446 I450 A469 V472 V474 L531 I535	L426-Y429 HydrophobicContact CD1-CD1 4.35Å; L426-Y429 PolarHBondContact O-N 3.01Å; L426-L430 HydrophobicContact CD1-CD1 4.08Å; L426-L430 HydrophobicContact CD1-CD2 4.32Å; L426-L430 HydrophobicContact CD1-CG 3.86Å; L426-L430 HydrophobicContact CG-CD1 3.89Å; L426-L430 HydrophobicContact CG-CG 4.18Å; L426-L430 WeakPolarHBondContact O-CB 3.45Å; L426-L430 WeakPolarHBondContact O-CG 3.36Å; L426-L430 PolarHBondContact O-N 3.33Å; L426-M446 HydrophobicContact CD1-CE 3.44Å; L426-M446 VanDerWaalsContact CD1-CE 3.44Å; L426-I450 HydrophobicContact CD2-CD1 3.78Å; L426-A469 HydrophobicContact CB-CB 4.39Å; L426-A469 WeakPolarHBondContact CB-O 3.48Å; L426-A469 HydrophobicContact CD2-CB 4.44Å; L426-A469 HydrophobicContact CG-CB 4.33Å; L426-A469 PolarHBondContact N-O 3.37Å; L426-V472 HydrophobicContact CB-CB 3.91Å; L426-V472 HydrophobicContact CB-CG1 4.07Å; L426-V472 HydrophobicContact CD2-CB 4.06Å; L426-V472 HydrophobicContact CD2-CG1 3.96Å; L426-V472 PolarHBondContact N-O 2.87Å; L426-V474 HydrophobicContact CB-CG2 3.88Å; L426-V474 HydrophobicContact CD1-CG2 3.78Å; L426-V474 HydrophobicContact CG-CG2 4.46Å; L426-L531 HydrophobicContact CD2-CD1 4.31Å; L426-I535 HydrophobicContact CD2-CD1 4.21Å; L426-I535 HydrophobicContact CD2-CG1 4.06Å
427	L	97.4	Very high	95	Very high	38 Å²	38	37.8 Å²	37.8	20%	0.199	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-51.3	173.1	179.5	61.3	0	0	0	112.1	S425 Y429 Q431 A469 R470 G539	S425-L427 PolarHBondContact O-N 3.11Å; L427-Y429 VanDerWaalsContact C-N 3.35Å; L427-Q431 WeakPolarHBondContact O-CG 2.93Å; L427-Q431 PolarHBondContact O-N 3.47Å; L427-A469 HydrophobicContact CB-CB 4.01Å; L427-A469 PolarHBondContact N-O 3.46Å; L427-R470 HydrophobicContact CB-CB 4.33Å; L427-R470 HydrophobicContact CD2-CB 3.98Å; L427-G539 WeakPolarHBondContact CD1-O 3.4Å
428	N	96.5	Very high	94.9	Very high	35 Å²	35	38.5 Å²	38.5	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-34.7	-179.5	-67.7	10.3	0	0	0	111.1	V17 S425 Q431 S432	V17-N428 PolarHBondContact O-ND2 2.87Å; S425-N428 PolarHBondContact O-N 3.34Å; S425-N428 VanDerWaalsContact O-N 3.12Å; N428-Q431 PolarHBondContact O-N 3.47Å; N428-S432 PolarHBondContact O-N 3.34Å
429	Y	97.5	Very high	94.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-49.3	177.9	-178.9	-112	0	0	0	112.1	K423 S425 L426 L427 Q431 S432 E434 G435 L438 M446 V474 H478	K423-Y429 HydrophobicContact CB-CD2 3.75Å; K423-Y429 HydrophobicContact CB-CE2 4.18Å; K423-Y429 HydrophobicContact CB-CG 4.43Å; K423-Y429 HydrophobicContact CD-CE2 4.28Å; K423-Y429 HydrophobicContact CG-CD2 4.27Å; K423-Y429 HydrophobicContact CG-CE2 4.19Å; S425-Y429 WeakPolarHBondContact O-CB 3.33Å; S425-Y429 PolarHBondContact O-N 2.69Å; L426-Y429 HydrophobicContact CD1-CD1 4.35Å; L426-Y429 PolarHBondContact O-N 3.01Å; L427-Y429 VanDerWaalsContact C-N 3.35Å; Y429-Q431 PolarHBondContact O-N 3.3Å; Y429-S432 VanDerWaalsContact O-CB 3.25Å; Y429-S432 WeakPolarHBondContact O-CB 3.45Å; Y429-S432 PolarHBondContact O-N 2.85Å; Y429-S432 PolarHBondContact O-OG 3.24Å; Y429-E434 HydrophobicContact CE2-CB 4.09Å; Y429-E434 HydrophobicContact CE2-CG 4Å; Y429-E434 WeakPolarHBondContact OH-CG 3.28Å; Y429-E434 PolarHBondContact OH-OE1 3.02Å; Y429-G435 VanDerWaalsContact O-CA 3.3Å; Y429-G435 WeakPolarHBondContact O-CA 3.39Å; Y429-L438 HydrophobicContact CE1-CD1 3.97Å; Y429-M446 HydrophobicContact CD1-CE 4.13Å; Y429-M446 HydrophobicContact CE1-CE 4.04Å; Y429-V474 HydrophobicContact CD1-CB 4.26Å; Y429-V474 HydrophobicContact CD1-CG1 3.79Å; Y429-V474 HydrophobicContact CD1-CG2 3.92Å; Y429-V474 HydrophobicContact CD2-CG1 4.33Å; Y429-V474 HydrophobicContact CE1-CG1 3.94Å; Y429-V474 HydrophobicContact CE2-CG1 4.49Å; Y429-V474 HydrophobicContact CG-CB 4.16Å; Y429-V474 HydrophobicContact CG-CG1 3.98Å; Y429-V474 HydrophobicContact CG-CG2 4.05Å; Y429-H478 AromaticContact CZ-CD2 3.92Å; Y429-H478 PolarHBondContact OH-CD2 3.35Å; Y429-H478 PolarHBondContact OH-NE2 3.21Å; Y429-H478 VanDerWaalsContact OH-NE2 3.17Å
430	L	97.7	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-33.6	176.6	-74.4	168.4	0	0	0	112.7	L426 G435 N436 L443 I535	L426-L430 HydrophobicContact CD1-CD1 4.08Å; L426-L430 HydrophobicContact CD1-CD2 4.32Å; L426-L430 HydrophobicContact CD1-CG 3.86Å; L426-L430 HydrophobicContact CG-CD1 3.89Å; L426-L430 HydrophobicContact CG-CG 4.18Å; L426-L430 WeakPolarHBondContact O-CB 3.45Å; L426-L430 WeakPolarHBondContact O-CG 3.36Å; L426-L430 PolarHBondContact O-N 3.33Å; L430-G435 CarbonylContact O-C 3.57Å; L430-N436 PolarHBondContact O-N 2.96Å; L430-N436 PolarHBondContact O-ND2 3.16Å; L430-L443 HydrophobicContact CD2-CD2 3.48Å; L430-L443 VanDerWaalsContact CD2-CD2 3.48Å; L430-I535 HydrophobicContact CD1-CG1 4.43Å
431	Q	96.8	Very high	94.4	Very high	107 Å²	107	41.8 Å²	41.8	50%	0.5	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.8	177.8	-66.1	176.8	1	0	0	113.8	L427 N428 Y429 N436 Y538 G539	L427-Q431 WeakPolarHBondContact O-CG 2.93Å; L427-Q431 PolarHBondContact O-N 3.47Å; N428-Q431 PolarHBondContact O-N 3.47Å; Y429-Q431 PolarHBondContact O-N 3.3Å; Q431-N436 VanDerWaalsContact C-ND2 3.27Å; Q431-N436 PolarHBondContact O-ND2 3.26Å; Q431-N436 VanDerWaalsContact O-ND2 3.12Å; Q431-Y538 WeakPolarHBondContact CG-O 3.36Å; Q431-G539 PolarHBondContact NE2-O 3.44Å
432	S	96.7	Very high	94.2	Very high	27 Å²	27	41.2 Å²	41.2	19%	0.189	23%	0.233	C	C	.	.	S	Bend	trans	-76.7	164.2	176.9	78.8	0	0	0	0	112.3	N428 Y429 E434 G435 N436	N428-S432 PolarHBondContact O-N 3.34Å; Y429-S432 VanDerWaalsContact O-CB 3.25Å; Y429-S432 WeakPolarHBondContact O-CB 3.45Å; Y429-S432 PolarHBondContact O-N 2.85Å; Y429-S432 PolarHBondContact O-OG 3.24Å; S432-E434 PolarHBondContact O-N 3.49Å; S432-E434 PolarHBondContact OG-N 3.03Å; S432-G435 PolarHBondContact O-N 3.37Å; S432-G435 PolarHBondContact OG-N 3.32Å; S432-G435 VanDerWaalsContact OG-N 3.12Å; S432-N436 WeakPolarHBondContact O-CB 3.38Å; S432-N436 PolarHBondContact O-N 3.34Å; S432-N436 PolarHBondContact O-ND2 3.05Å
433	P	96	Very high	94.3	Very high	122 Å²	122	39.5 Å²	39.5	79%	0.792	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.2	174.4	-25	35.3	0	0	0	113.7	A437	P433-A437 PolarHBondContact O-N 2.83Å
434	E	93.5	Very high	94.3	Very high	76 Å²	76	36.8 Å²	36.8	36%	0.355	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-45.4	177.8	-166.1	-178.3	167.1	0	0	111	K423 Y429 S432 A437	K423-E434 IonicContact NZ-OE1 3.35Å; K423-E434 PolarHBondContact NZ-OE1 2.92Å; K423-E434 IonicContact NZ-OE2 2.65Å; K423-E434 PolarHBondContact NZ-OE2 2.74Å; Y429-E434 HydrophobicContact CE2-CB 4.09Å; Y429-E434 HydrophobicContact CE2-CG 4Å; Y429-E434 WeakPolarHBondContact OH-CG 3.28Å; Y429-E434 PolarHBondContact OH-OE1 3.02Å; S432-E434 PolarHBondContact O-N 3.49Å; S432-E434 PolarHBondContact OG-N 3.03Å; E434-A437 PolarHBondContact O-N 3.36Å
435	G	94.6	Very high	94.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-69.2	-34.2	177.5	0	0	0	0	0	114.2	Y429 L430 S432 A437 L438 Y538	Y429-G435 VanDerWaalsContact O-CA 3.3Å; Y429-G435 WeakPolarHBondContact O-CA 3.39Å; L430-G435 CarbonylContact O-C 3.57Å; S432-G435 PolarHBondContact O-N 3.37Å; S432-G435 PolarHBondContact OG-N 3.32Å; S432-G435 VanDerWaalsContact OG-N 3.12Å; G435-A437 PolarHBondContact O-N 3.36Å; G435-L438 WeakPolarHBondContact O-CB 3.5Å; G435-L438 WeakPolarHBondContact O-CG 3.16Å; G435-L438 PolarHBondContact O-N 2.9Å; G435-Y538 WeakPolarHBondContact O-CD1 3.39Å; G435-Y538 WeakPolarHBondContact O-CE1 3.48Å
436	N	93.1	Very high	94.2	Very high	92 Å²	92	37.1 Å²	37.1	49%	0.492	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-70.1	-14.5	173.2	-79.9	-85.8	0	0	0	113.2	L430 Q431 S432	L430-N436 PolarHBondContact O-N 2.96Å; L430-N436 PolarHBondContact O-ND2 3.16Å; Q431-N436 VanDerWaalsContact C-ND2 3.27Å; Q431-N436 PolarHBondContact O-ND2 3.26Å; Q431-N436 VanDerWaalsContact O-ND2 3.12Å; S432-N436 WeakPolarHBondContact O-CB 3.38Å; S432-N436 PolarHBondContact O-N 3.34Å; S432-N436 PolarHBondContact O-ND2 3.05Å
437	A	93.5	Very high	94.2	Very high	82 Å²	82	37.1 Å²	37.1	68%	0.678	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-92.1	-2.8	177	0	0	0	0	0	113.4	P433 E434 G435	P433-A437 PolarHBondContact O-N 2.83Å; E434-A437 PolarHBondContact O-N 3.36Å; G435-A437 PolarHBondContact O-N 3.36Å
438	L	92.1	Very high	94.1	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.079	21%	0.205	C	C	.	.			trans	-69.5	140.6	176.1	-59.4	177.6	0	0	0	111	Y429 G435 C442 L443 M446 Y538	Y429-L438 HydrophobicContact CE1-CD1 3.97Å; G435-L438 WeakPolarHBondContact O-CB 3.5Å; G435-L438 WeakPolarHBondContact O-CG 3.16Å; G435-L438 PolarHBondContact O-N 2.9Å; L438-C442 HydrophobicContact CD2-CB 4.43Å; L438-L443 HydrophobicContact CB-CD2 4.19Å; L438-L443 HydrophobicContact CB-CG 4.29Å; L438-L443 HydrophobicContact CD1-CD2 3.88Å; L438-M446 HydrophobicContact CD1-SD 3.82Å; L438-Y538 PolarHBondContact O-OH 3.07Å; L438-Y538 VanDerWaalsContact O-OH 3.07Å
439	D	90.5	Very high	94	Very high	87 Å²	87	35.9 Å²	35.9	47%	0.465	20%	0.204	S	C	.	.			trans	-81.3	165.5	168	59.3	29.8	0	0	0	111.7	Q441 C442 L443	D439-Q441 PolarHBondContact O-N 3.31Å; D439-Q441 VanDerWaalsContact O-N 3.11Å; D439-Q441 PolarHBondContact OD1-N 2.96Å; D439-C442 PolarHBondContact O-N 3.12Å; D439-C442 VanDerWaalsContact OD1-CB 3.31Å; D439-C442 WeakPolarHBondContact OD1-CB 3.44Å; D439-C442 PolarHBondContact OD1-N 3.08Å; D439-L443 WeakPolarHBondContact O-CG 3.43Å; D439-L443 PolarHBondContact O-N 3.28Å; D439-L443 VanDerWaalsContact O-N 3.14Å
440	M	91.5	Very high	94	Very high	46 Å²	46	35.7 Å²	35.7	23%	0.227	20%	0.203	C	C	.	.	H	α-helix	trans	-53.9	-32.4	176.3	-174.5	57.8	57.8	0	0	111.8	L443 I444 V536 P568	M440-L443 WeakPolarHBondContact O-CB 3.5Å; M440-L443 PolarHBondContact O-N 3.31Å; M440-I444 HydrophobicContact CG-CD1 3.92Å; M440-I444 HydrophobicContact CG-CG1 4.48Å; M440-I444 VanDerWaalsContact O-CG1 3.3Å; M440-I444 WeakPolarHBondContact O-CG1 3.3Å; M440-I444 PolarHBondContact O-N 2.94Å; M440-I444 HydrophobicContact SD-CD1 4.21Å; M440-I444 HydrophobicContact SD-CG1 4.35Å; M440-V536 HydrophobicContact CE-CB 4.3Å; M440-V536 HydrophobicContact CE-CG1 4.43Å; M440-V536 HydrophobicContact SD-CB 4.44Å; M440-V536 HydrophobicContact SD-CG1 3.94Å; M440-P568 HydrophobicContact CG-CG 4.11Å; M440-P568 HydrophobicContact SD-CG 4.48Å
441	Q	86.7	Confident	94.1	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.154	20%	0.203	C	C	.	.	H	α-helix	trans	-73	-40.8	-173.9	-171.4	57.5	100.6	0	0	112.3	I230 D439 I444 M445 C600	I230-Q441 HydrophobicContact CD1-CG 3.27Å; I230-Q441 VanDerWaalsContact CD1-OE1 3.31Å; I230-Q441 HydrophobicContact CG1-CG 4.09Å; D439-Q441 PolarHBondContact O-N 3.31Å; D439-Q441 VanDerWaalsContact O-N 3.11Å; D439-Q441 PolarHBondContact OD1-N 2.96Å; Q441-I444 PolarHBondContact O-N 3.13Å; Q441-M445 PolarHBondContact O-N 2.81Å; Q441-C600 PolarHBondContact NE2-SG 3.2Å
442	C	89.9	Confident	94.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.02	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-39.4	171.7	-169.3	0	0	0	0	111.6	H234 L438 D439 I444 M445 M446 H478	H234-C442 VanDerWaalsContact CE1-SG 3.57Å; L438-C442 HydrophobicContact CD2-CB 4.43Å; D439-C442 PolarHBondContact O-N 3.12Å; D439-C442 VanDerWaalsContact OD1-CB 3.31Å; D439-C442 WeakPolarHBondContact OD1-CB 3.44Å; D439-C442 PolarHBondContact OD1-N 3.08Å; C442-I444 VanDerWaalsContact C-N 3.35Å; C442-I444 PolarHBondContact O-N 2.89Å; C442-M445 HydrophobicContact CB-CE 4.27Å; C442-M445 PolarHBondContact O-N 3.46Å; C442-M446 VanDerWaalsContact O-CG 3.31Å; C442-M446 WeakPolarHBondContact O-CG 3.48Å; C442-M446 PolarHBondContact O-N 2.73Å; C442-H478 PolarHBondContact SG-ND1 3.04Å; C442-H478 VanDerWaalsContact SG-ND1 3.42Å
443	L	95	Very high	94.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-43.1	174.8	-67.8	176.2	0	0	0	112	L430 L438 D439 M440 M446 A447 I535 Y538	L430-L443 HydrophobicContact CD2-CD2 3.48Å; L430-L443 VanDerWaalsContact CD2-CD2 3.48Å; L438-L443 HydrophobicContact CB-CD2 4.19Å; L438-L443 HydrophobicContact CB-CG 4.29Å; L438-L443 HydrophobicContact CD1-CD2 3.88Å; D439-L443 WeakPolarHBondContact O-CG 3.43Å; D439-L443 PolarHBondContact O-N 3.28Å; D439-L443 VanDerWaalsContact O-N 3.14Å; M440-L443 WeakPolarHBondContact O-CB 3.5Å; M440-L443 PolarHBondContact O-N 3.31Å; L443-M446 PolarHBondContact O-N 3.49Å; L443-A447 PolarHBondContact O-N 3.35Å; L443-I535 HydrophobicContact CB-CG2 3.75Å; L443-I535 HydrophobicContact CD2-CG2 4.05Å; L443-I535 HydrophobicContact CG-CG2 4.39Å; L443-Y538 HydrophobicContact CD1-CE1 3.94Å; L443-Y538 HydrophobicContact CD1-CE2 4.36Å
444	I	93.7	Very high	94.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-68.7	-39.4	177.1	-67.9	172.8	0	0	0	111.4	M440 Q441 C442 M446 A447 A448 L571 L596 F599	M440-I444 HydrophobicContact CG-CD1 3.92Å; M440-I444 HydrophobicContact CG-CG1 4.48Å; M440-I444 VanDerWaalsContact O-CG1 3.3Å; M440-I444 WeakPolarHBondContact O-CG1 3.3Å; M440-I444 PolarHBondContact O-N 2.94Å; M440-I444 HydrophobicContact SD-CD1 4.21Å; M440-I444 HydrophobicContact SD-CG1 4.35Å; Q441-I444 PolarHBondContact O-N 3.13Å; C442-I444 VanDerWaalsContact C-N 3.35Å; C442-I444 PolarHBondContact O-N 2.89Å; I444-M446 VanDerWaalsContact C-N 3.34Å; I444-M446 PolarHBondContact O-N 2.85Å; I444-A447 WeakPolarHBondContact O-CB 3.44Å; I444-A447 PolarHBondContact O-N 3.49Å; I444-A448 PolarHBondContact O-N 2.92Å; I444-L571 HydrophobicContact CD1-CD2 3.9Å; I444-L571 HydrophobicContact CG1-CD2 3.89Å; I444-L596 HydrophobicContact CG2-CD2 4.2Å; I444-F599 HydrophobicContact CD1-CD1 3.36Å; I444-F599 HydrophobicContact CD1-CE1 3.45Å; I444-F599 VanDerWaalsContact CD1-CE1 3.45Å; I444-F599 HydrophobicContact CD1-CG 4.2Å; I444-F599 HydrophobicContact CD1-CZ 4.35Å; I444-F599 HydrophobicContact CG2-CB 4.3Å; I444-F599 HydrophobicContact CG2-CD1 4.23Å
445	M	91.5	Very high	94.5	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-40	172.8	172	-177.9	45.5	0	0	112.2	E231 H234 Q441 C442 A448 K449	E231-M445 HydrophobicContact CG-SD 3.84Å; H234-M445 HydrophobicContact CB-CE 4.08Å; Q441-M445 PolarHBondContact O-N 2.81Å; C442-M445 HydrophobicContact CB-CE 4.27Å; C442-M445 PolarHBondContact O-N 3.46Å; M445-A448 PolarHBondContact O-N 2.78Å; M445-K449 HydrophobicContact CG-CD 4.44Å; M445-K449 WeakPolarHBondContact O-CG 3.46Å; M445-K449 PolarHBondContact O-N 2.91Å
446	M	95.3	Very high	94.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-42.1	173.7	-68.9	171.6	81.4	0	0	111	L426 Y429 L438 C442 L443 I444 A448 K449 I450 V474 H478 V480	L426-M446 HydrophobicContact CD1-CE 3.44Å; L426-M446 VanDerWaalsContact CD1-CE 3.44Å; Y429-M446 HydrophobicContact CD1-CE 4.13Å; Y429-M446 HydrophobicContact CE1-CE 4.04Å; L438-M446 HydrophobicContact CD1-SD 3.82Å; C442-M446 VanDerWaalsContact O-CG 3.31Å; C442-M446 WeakPolarHBondContact O-CG 3.48Å; C442-M446 PolarHBondContact O-N 2.73Å; L443-M446 PolarHBondContact O-N 3.49Å; I444-M446 VanDerWaalsContact C-N 3.34Å; I444-M446 PolarHBondContact O-N 2.85Å; M446-A448 PolarHBondContact O-N 3.09Å; M446-K449 PolarHBondContact O-N 3.21Å; M446-I450 WeakPolarHBondContact O-CD1 3.36Å; M446-I450 WeakPolarHBondContact O-CG1 3.34Å; M446-I450 PolarHBondContact O-N 3.07Å; M446-I450 VanDerWaalsContact O-N 3.08Å; M446-V474 HydrophobicContact CE-CG1 4.48Å; M446-V474 HydrophobicContact CE-CG2 4.4Å; M446-H478 HydrophobicContact CE-CB 4.46Å; M446-H478 HydrophobicContact CG-CB 4.38Å; M446-H478 HydrophobicContact SD-CB 4.24Å; M446-V480 HydrophobicContact CB-CG1 4.15Å; M446-V480 HydrophobicContact CE-CG1 3.43Å; M446-V480 VanDerWaalsContact CE-CG1 3.43Å; M446-V480 HydrophobicContact CG-CG1 4.1Å
447	A	97.7	Very high	94.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-41.9	174	0	0	0	0	0	112.8	L443 I444 I450 A451 L532 I535 L596	L443-A447 PolarHBondContact O-N 3.35Å; I444-A447 WeakPolarHBondContact O-CB 3.44Å; I444-A447 PolarHBondContact O-N 3.49Å; A447-I450 PolarHBondContact O-N 2.79Å; A447-A451 PolarHBondContact O-N 3.13Å; A447-L532 HydrophobicContact CB-CD2 3.58Å; A447-I535 HydrophobicContact CB-CD1 4Å; A447-L596 HydrophobicContact CB-CD1 4.15Å
448	A	95.8	Very high	94.9	Very high	9 Å²	9	18.1 Å²	18.1	7%	0.074	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-48.4	175	0	0	0	0	0	111	I444 M445 M446 I450 A451 S452 H593 L596	I444-A448 PolarHBondContact O-N 2.92Å; M445-A448 PolarHBondContact O-N 2.78Å; M446-A448 PolarHBondContact O-N 3.09Å; A448-I450 VanDerWaalsContact C-N 3.26Å; A448-I450 PolarHBondContact O-N 3.49Å; A448-A451 CarbonylContact O-C 3.52Å; A448-A451 WeakPolarHBondContact O-CA 3.17Å; A448-A451 WeakPolarHBondContact O-CB 3.49Å; A448-A451 PolarHBondContact O-N 3.42Å; A448-S452 PolarHBondContact O-N 3.08Å; A448-H593 PolarHBondContact O-CD2 3.37Å; A448-H593 VanDerWaalsContact O-CD2 3.22Å; A448-L596 HydrophobicContact CB-CB 3.83Å
449	K	94.8	Very high	95.1	Very high	38 Å²	38	21.4 Å²	21.4	17%	0.165	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-36.4	176.4	-76.4	173.6	178.9	176.9	0	112.9	E231 N400 M445 M446 S452 G453 V480	E231-K449 WeakPolarHBondContact OE1-CE 3.2Å; E231-K449 IonicContact OE1-NZ 3.68Å; E231-K449 PolarHBondContact OE1-NZ 3.42Å; N400-K449 WeakPolarHBondContact CB-O 3.08Å; N400-K449 PolarHBondContact OD1-O 3.48Å; M445-K449 HydrophobicContact CG-CD 4.44Å; M445-K449 WeakPolarHBondContact O-CG 3.46Å; M445-K449 PolarHBondContact O-N 2.91Å; M446-K449 PolarHBondContact O-N 3.21Å; K449-S452 WeakPolarHBondContact O-CB 3.4Å; K449-G453 PolarHBondContact O-N 3.35Å; K449-V480 HydrophobicContact CB-CG2 3.39Å; K449-V480 HydrophobicContact CD-CG2 4.37Å; K449-V480 HydrophobicContact CG-CG2 4.46Å
450	I	98.3	Very high	95.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.6	-43.6	173.1	-61.1	156.7	0	0	0	111.1	L426 M446 A447 A448 S452 G453 M454 V472 V480 I482 F528 L531 I535	L426-I450 HydrophobicContact CD2-CD1 3.78Å; M446-I450 WeakPolarHBondContact O-CD1 3.36Å; M446-I450 WeakPolarHBondContact O-CG1 3.34Å; M446-I450 PolarHBondContact O-N 3.07Å; M446-I450 VanDerWaalsContact O-N 3.08Å; A447-I450 PolarHBondContact O-N 2.79Å; A448-I450 VanDerWaalsContact C-N 3.26Å; A448-I450 PolarHBondContact O-N 3.49Å; I450-S452 VanDerWaalsContact C-N 3.26Å; I450-S452 PolarHBondContact O-N 3.03Å; I450-G453 PolarHBondContact O-N 3.1Å; I450-G453 VanDerWaalsContact O-N 3.16Å; I450-M454 PolarHBondContact O-N 2.93Å; I450-V472 HydrophobicContact CD1-CG1 3.93Å; I450-V472 HydrophobicContact CD1-CG2 4.2Å; I450-V472 HydrophobicContact CG1-CG1 4.01Å; I450-V472 HydrophobicContact CG1-CG2 4.36Å; I450-V472 HydrophobicContact CG2-CG2 4.36Å; I450-V480 HydrophobicContact CG1-CB 4.28Å; I450-V480 HydrophobicContact CG1-CG2 3.94Å; I450-I482 HydrophobicContact CG2-CD1 4.05Å; I450-I482 HydrophobicContact CG2-CG1 4Å; I450-F528 HydrophobicContact CB-CE2 4.21Å; I450-F528 HydrophobicContact CG2-CD2 4.29Å; I450-F528 HydrophobicContact CG2-CE2 3.93Å; I450-L531 HydrophobicContact CD1-CD2 4.31Å; I450-L531 HydrophobicContact CG2-CD2 3.83Å; I450-I535 HydrophobicContact CD1-CD1 4Å
451	A	98.5	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-37.3	175.8	0	0	0	0	0	112.2	A447 A448 M454 A455 F528 I592 H593 L596	A447-A451 PolarHBondContact O-N 3.13Å; A448-A451 CarbonylContact O-C 3.52Å; A448-A451 WeakPolarHBondContact O-CA 3.17Å; A448-A451 WeakPolarHBondContact O-CB 3.49Å; A448-A451 PolarHBondContact O-N 3.42Å; A451-M454 PolarHBondContact O-N 2.82Å; A451-A455 WeakPolarHBondContact O-CB 3.45Å; A451-A455 PolarHBondContact O-N 3.17Å; A451-F528 HydrophobicContact CB-CE2 3.99Å; A451-F528 HydrophobicContact CB-CZ 3.8Å; A451-I592 HydrophobicContact CB-CG2 3.9Å; A451-H593 HydrophobicContact CB-CB 4Å; A451-L596 HydrophobicContact CB-CD1 3.99Å
452	S	97.4	Very high	95.5	Very high	26 Å²	26	32.9 Å²	32.9	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-49.2	172.6	-172.8	0	0	0	0	111.9	H398 A448 K449 I450 M454 A455 Y456	H398-S452 PolarHBondContact CE1-OG 2.77Å; A448-S452 PolarHBondContact O-N 3.08Å; K449-S452 WeakPolarHBondContact O-CB 3.4Å; I450-S452 VanDerWaalsContact C-N 3.26Å; I450-S452 PolarHBondContact O-N 3.03Å; S452-M454 VanDerWaalsContact C-N 3.32Å; S452-M454 PolarHBondContact O-N 2.85Å; S452-A455 PolarHBondContact O-N 2.96Å; S452-Y456 PolarHBondContact O-N 3.48Å
453	G	97.5	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-39.8	174.2	0	0	0	0	0	113.5	K449 I450 Y456 L457	K449-G453 PolarHBondContact O-N 3.35Å; I450-G453 PolarHBondContact O-N 3.1Å; I450-G453 VanDerWaalsContact O-N 3.16Å; G453-Y456 WeakPolarHBondContact O-CB 3.37Å; G453-Y456 PolarHBondContact O-N 2.87Å; G453-L457 WeakPolarHBondContact O-CG 3.17Å; G453-L457 PolarHBondContact O-N 3.23Å; G453-L457 VanDerWaalsContact O-N 3.09Å
454	M	98.5	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-34.3	175.5	-71.7	-57.7	-56.1	0	0	113.3	I450 A451 S452 Y456 L457 E458 H464 L467 I482 I521 D524 F589	I450-M454 PolarHBondContact O-N 2.93Å; A451-M454 PolarHBondContact O-N 2.82Å; S452-M454 VanDerWaalsContact C-N 3.32Å; S452-M454 PolarHBondContact O-N 2.85Å; M454-Y456 VanDerWaalsContact C-N 3.31Å; M454-L457 HydrophobicContact CE-CD1 4.42Å; M454-L457 PolarHBondContact O-N 3Å; M454-L457 HydrophobicContact SD-CD1 3.83Å; M454-E458 WeakPolarHBondContact O-CB 3.48Å; M454-E458 PolarHBondContact O-N 2.89Å; M454-H464 HydrophobicContact CE-CB 3.92Å; M454-H464 HydrophobicContact SD-CB 4.18Å; M454-L467 HydrophobicContact CE-CD2 4.08Å; M454-L467 HydrophobicContact CG-CD1 4.46Å; M454-L467 HydrophobicContact CG-CD2 3.78Å; M454-L467 HydrophobicContact SD-CD1 4.01Å; M454-L467 HydrophobicContact SD-CD2 3.77Å; M454-L467 HydrophobicContact SD-CG 4.44Å; M454-I482 HydrophobicContact CG-CD1 3.72Å; M454-I482 HydrophobicContact SD-CD1 3.82Å; M454-I521 HydrophobicContact CE-CD1 4.2Å; M454-D524 HydrophobicContact CE-CB 3.69Å; M454-F589 HydrophobicContact CB-CB 4.23Å; M454-F589 HydrophobicContact CB-CD1 3.3Å; M454-F589 HydrophobicContact CB-CD2 3.87Å; M454-F589 HydrophobicContact CB-CE1 3.42Å; M454-F589 VanDerWaalsContact CB-CE1 3.42Å; M454-F589 HydrophobicContact CB-CE2 3.97Å; M454-F589 HydrophobicContact CB-CG 3.54Å; M454-F589 HydrophobicContact CB-CZ 3.75Å; M454-F589 HydrophobicContact CE-CD2 4.28Å; M454-F589 HydrophobicContact CE-CE1 4.36Å; M454-F589 HydrophobicContact CE-CE2 3.52Å; M454-F589 HydrophobicContact CE-CZ 3.56Å; M454-F589 HydrophobicContact CG-CD1 4.16Å; M454-F589 HydrophobicContact CG-CE1 3.76Å; M454-F589 HydrophobicContact CG-CE2 4.48Å; M454-F589 HydrophobicContact CG-CZ 3.93Å
455	A	98.4	Very high	95.3	Very high	20 Å²	20	36.9 Å²	36.9	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-36.9	173.3	0	0	0	0	0	111.3	A451 S452 E458 S459 F589	A451-A455 WeakPolarHBondContact O-CB 3.45Å; A451-A455 PolarHBondContact O-N 3.17Å; S452-A455 PolarHBondContact O-N 2.96Å; A455-E458 PolarHBondContact O-N 3.04Å; A455-S459 PolarHBondContact O-N 3.09Å; A455-F589 HydrophobicContact CB-CB 3.85Å
456	Y	97.7	Very high	95.2	Very high	45 Å²	45	37.3 Å²	37.3	18%	0.176	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-49.7	168.4	175.9	-92.7	0	0	0	111.3	L396 H397 H398 L401 S452 G453 M454 E458 S459 R460	L396-Y456 HydrophobicContact CB-CE1 4.13Å; L396-Y456 HydrophobicContact CD2-CE1 3.85Å; H397-Y456 PolarHBondContact N-OH 3.28Å; H397-Y456 WeakPolarHBondContact O-CE2 3.22Å; H397-Y456 PolarHBondContact O-OH 2.8Å; H398-Y456 HydrophobicContact CB-CD1 3.75Å; H398-Y456 HydrophobicContact CB-CD2 4.16Å; H398-Y456 HydrophobicContact CB-CE1 4.09Å; H398-Y456 HydrophobicContact CB-CE2 4.46Å; H398-Y456 HydrophobicContact CB-CG 3.78Å; H398-Y456 AromaticContact CD2-CD2 3.8Å; H398-Y456 AromaticContact CD2-CG 3.71Å; H398-Y456 AromaticContact CG-CG 3.82Å; L401-Y456 HydrophobicContact CD1-CD1 3.63Å; L401-Y456 HydrophobicContact CD1-CE1 3.79Å; S452-Y456 PolarHBondContact O-N 3.48Å; G453-Y456 WeakPolarHBondContact O-CB 3.37Å; G453-Y456 PolarHBondContact O-N 2.87Å; M454-Y456 VanDerWaalsContact C-N 3.31Å; Y456-E458 VanDerWaalsContact C-N 3.33Å; Y456-E458 PolarHBondContact O-N 2.84Å; Y456-S459 PolarHBondContact O-N 3.46Å; Y456-S459 VanDerWaalsContact O-N 3.15Å; Y456-S459 PolarHBondContact O-OG 3.21Å; Y456-R460 HydrophobicContact CD1-CG 4.14Å; Y456-R460 HydrophobicContact CD2-CG 4.37Å; Y456-R460 HydrophobicContact CE1-CG 3.72Å; Y456-R460 HydrophobicContact CE2-CG 3.97Å; Y456-R460 HydrophobicContact CG-CG 4.45Å; Y456-R460 VanDerWaalsContact O-CG 3.28Å; Y456-R460 WeakPolarHBondContact O-CG 3.27Å; Y456-R460 PolarHBondContact O-N 3.24Å
457	L	95.7	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-41.9	176.9	-67.8	179.9	0	0	0	112.6	L396 L401 G453 M454 R460 R461 H462 F485	L396-L457 HydrophobicContact CD1-CD2 3.77Å; L396-L457 HydrophobicContact CD2-CD2 4.28Å; L401-L457 HydrophobicContact CD1-CD2 3.69Å; L401-L457 HydrophobicContact CD1-CG 4.21Å; L401-L457 HydrophobicContact CD2-CD1 4.03Å; L401-L457 HydrophobicContact CD2-CD2 4.29Å; L401-L457 HydrophobicContact CD2-CG 4.09Å; G453-L457 WeakPolarHBondContact O-CG 3.17Å; G453-L457 PolarHBondContact O-N 3.23Å; G453-L457 VanDerWaalsContact O-N 3.09Å; M454-L457 HydrophobicContact CE-CD1 4.42Å; M454-L457 PolarHBondContact O-N 3Å; M454-L457 HydrophobicContact SD-CD1 3.83Å; L457-R460 CarbonylContact O-C 3.52Å; L457-R460 PolarHBondContact O-N 2.74Å; L457-R461 PolarHBondContact O-N 2.86Å; L457-R461 VanDerWaalsContact O-N 3.1Å; L457-H462 HydrophobicContact CB-CB 4.29Å; L457-H462 HydrophobicContact CD2-CB 4.04Å; L457-H462 PolarHBondContact O-N 3.5Å; L457-F485 HydrophobicContact CD1-CB 4.14Å; L457-F485 HydrophobicContact CD2-CD2 4.49Å
458	E	95.9	Very high	95.2	Very high	46 Å²	46	37.1 Å²	37.1	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-55.6	-50.4	172.5	178.1	168.5	-121	0	0	111.3	M454 A455 Y456 R460 R461 I521 F589	M454-E458 WeakPolarHBondContact O-CB 3.48Å; M454-E458 PolarHBondContact O-N 2.89Å; A455-E458 PolarHBondContact O-N 3.04Å; Y456-E458 VanDerWaalsContact C-N 3.33Å; Y456-E458 PolarHBondContact O-N 2.84Å; E458-R460 PolarHBondContact O-N 3.16Å; E458-R461 WeakPolarHBondContact O-CA 3.38Å; E458-R461 PolarHBondContact O-N 2.97Å; E458-I521 HydrophobicContact CB-CD1 3.95Å; E458-I521 HydrophobicContact CB-CG1 3.82Å; E458-I521 HydrophobicContact CG-CG1 3.91Å; E458-F589 HydrophobicContact CB-CD2 4.47Å; E458-F589 PolarHBondContact OE2-N 3.08Å
459	S	96.5	Very high	95.3	Very high	84 Å²	84	36.7 Å²	36.7	59%	0.587	17%	0.168	S	C	*	.	H	α-helix	trans	-61.3	-31.3	177.9	81.5	0	0	0	0	113.2	A455 Y456 R461	A455-S459 PolarHBondContact O-N 3.09Å; Y456-S459 PolarHBondContact O-N 3.46Å; Y456-S459 VanDerWaalsContact O-N 3.15Å; Y456-S459 PolarHBondContact O-OG 3.21Å; S459-R461 VanDerWaalsContact C-N 3.29Å
460	R	94	Very high	95.3	Very high	139 Å²	139	35.6 Å²	35.6	53%	0.525	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.5	176.4	-56.9	-62.6	-77.2	175.3	-8	113	R395 L396 Y456 L457 E458 H462	R395-R460 PolarHBondContact O-NH2 3.39Å; L396-R460 HydrophobicContact CD2-CB 3.77Å; L396-R460 HydrophobicContact CD2-CG 3.88Å; Y456-R460 HydrophobicContact CD1-CG 4.14Å; Y456-R460 HydrophobicContact CD2-CG 4.37Å; Y456-R460 HydrophobicContact CE1-CG 3.72Å; Y456-R460 HydrophobicContact CE2-CG 3.97Å; Y456-R460 HydrophobicContact CG-CG 4.45Å; Y456-R460 VanDerWaalsContact O-CG 3.28Å; Y456-R460 WeakPolarHBondContact O-CG 3.27Å; Y456-R460 PolarHBondContact O-N 3.24Å; L457-R460 CarbonylContact O-C 3.52Å; L457-R460 PolarHBondContact O-N 2.74Å; E458-R460 PolarHBondContact O-N 3.16Å; R460-H462 PolarHBondContact O-N 3.4Å
461	R	91.8	Very high	95.1	Very high	239 Å²	239	35.6 Å²	35.6	90%	0.902	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	34.6	-177	-55.9	177.6	-178.4	-106.4	0.2	112.5	L457 E458 S459	L457-R461 PolarHBondContact O-N 2.86Å; L457-R461 VanDerWaalsContact O-N 3.1Å; E458-R461 WeakPolarHBondContact O-CA 3.38Å; E458-R461 PolarHBondContact O-N 2.97Å; S459-R461 VanDerWaalsContact C-N 3.29Å
462	H	90.8	Very high	95	Very high	28 Å²	28	35.6 Å²	35.6	13%	0.13	16%	0.163	C	C	.	.			trans	-99.5	141.7	177.6	-163.1	80.3	0	0	0	110.2	T392 L396 L457 R460 G486	T392-H462 WeakPolarHBondContact CG2-CE1 3.3Å; L396-H462 HydrophobicContact CD1-CB 4.49Å; L457-H462 HydrophobicContact CB-CB 4.29Å; L457-H462 HydrophobicContact CD2-CB 4.04Å; L457-H462 PolarHBondContact O-N 3.5Å; R460-H462 PolarHBondContact O-N 3.4Å; H462-G486 WeakPolarHBondContact NE2-CA 3.39Å; H462-G486 PolarHBondContact NE2-N 3.49Å
463	I	91.6	Very high	95	Very high	47 Å²	47	34.9 Å²	34.9	24%	0.241	16%	0.157	C	C	.	.			trans	-117.1	122.5	-178.9	-52.9	165.2	0	0	0	107.2	R465 T520 D524	I463-R465 HydrophobicContact CB-CG 4.25Å; I463-R465 HydrophobicContact CG2-CG 3.61Å; I463-T520 WeakPolarHBondContact CG2-O 3.34Å; I463-D524 WeakPolarHBondContact CA-OD2 3.49Å; I463-D524 VanDerWaalsContact CG2-OD2 3.26Å; I463-D524 WeakPolarHBondContact CG2-OD2 3.46Å
464	H	92.2	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.157	C	C	.	.			trans	-70.1	-45.5	-177.4	-167.3	-72	0	0	0	112.2	M454 D466 L467 I482 A483 F485 D524	M454-H464 HydrophobicContact CE-CB 3.92Å; M454-H464 HydrophobicContact SD-CB 4.18Å; H464-D466 PolarHBondContact CE1-O 3.34Å; H464-D466 PolarHBondContact ND1-N 3.39Å; H464-D466 PolarHBondContact ND1-O 3.14Å; H464-D466 PolarHBondContact O-N 3.45Å; H464-L467 PolarHBondContact ND1-N 3.28Å; H464-I482 VanDerWaalsContact CD2-CG2 3.4Å; H464-I482 WeakPolarHBondContact CD2-CG2 3.42Å; H464-I482 WeakPolarHBondContact NE2-CG2 3.47Å; H464-A483 PolarHBondContact NE2-O 2.92Å; H464-A483 VanDerWaalsContact NE2-O 3.13Å; H464-F485 VanDerWaalsContact CD2-CB 3.49Å; H464-F485 WeakPolarHBondContact CD2-CB 2.71Å; H464-D524 PolarHBondContact N-OD2 3.27Å
465	R	91	Very high	94.6	Very high	43 Å²	43	35.2 Å²	35.2	16%	0.162	16%	0.16	C	C	.	.	S	Bend	trans	67.2	-21.2	179.2	-52.4	176.9	171.9	-143.9	-11.3	117.3	I463 A488 F519 D524	I463-R465 HydrophobicContact CB-CG 4.25Å; I463-R465 HydrophobicContact CG2-CG 3.61Å; R465-A488 HydrophobicContact CB-CB 3.59Å; R465-A488 VanDerWaalsContact CD-O 3.23Å; R465-A488 WeakPolarHBondContact CD-O 3.29Å; R465-A488 HydrophobicContact CG-CB 4.47Å; R465-A488 PolarHBondContact NH1-O 2.89Å; R465-F519 HydrophobicContact CB-CD1 3.96Å; R465-F519 HydrophobicContact CB-CE1 4.42Å; R465-F519 HydrophobicContact CG-CB 4.06Å; R465-F519 HydrophobicContact CG-CD1 4.04Å; R465-F519 HydrophobicContact CG-CG 4.17Å; R465-D524 WeakPolarHBondContact CA-OD1 3.12Å; R465-D524 PolarHBondContact N-OD1 3.06Å
466	D	90.2	Very high	94	Very high	16 Å²	16	38.5 Å²	38.5	9%	0.086	17%	0.172	C	C	.	.			trans	-134.2	57.1	175.1	-170	19.7	0	0	0	112.7	H464 R470 N471 P505	H464-D466 PolarHBondContact CE1-O 3.34Å; H464-D466 PolarHBondContact ND1-N 3.39Å; H464-D466 PolarHBondContact ND1-O 3.14Å; H464-D466 PolarHBondContact O-N 3.45Å; D466-R470 IonicContact OD1-CZ 3.27Å; D466-R470 IonicContact OD1-NH1 2.75Å; D466-R470 IonicContact OD1-NH2 3.38Å; D466-R470 PolarHBondContact OD1-NH2 3.01Å; D466-R470 IonicContact OD2-CZ 3.56Å; D466-R470 IonicContact OD2-NH2 2.83Å; D466-R470 PolarHBondContact OD2-NH2 3.32Å; D466-N471 PolarHBondContact O-ND2 2.84Å; D466-N471 PolarHBondContact OD2-ND2 2.97Å; D466-P505 VanDerWaalsContact OD1-CG 3.3Å; D466-P505 WeakPolarHBondContact OD1-CG 3.24Å
467	L	95.9	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.178	C	C	.	.			trans	-82.8	119.4	-179.7	-176.4	65.8	0	0	0	110.5	M454 H464 I482 S527 F528 L531 F589	M454-L467 HydrophobicContact CE-CD2 4.08Å; M454-L467 HydrophobicContact CG-CD1 4.46Å; M454-L467 HydrophobicContact CG-CD2 3.78Å; M454-L467 HydrophobicContact SD-CD1 4.01Å; M454-L467 HydrophobicContact SD-CD2 3.77Å; M454-L467 HydrophobicContact SD-CG 4.44Å; H464-L467 PolarHBondContact ND1-N 3.28Å; L467-I482 HydrophobicContact CD1-CG2 4.22Å; L467-S527 WeakPolarHBondContact O-CB 3.49Å; L467-F528 HydrophobicContact CD2-CB 3.88Å; L467-F528 HydrophobicContact CD2-CD2 4.06Å; L467-F528 HydrophobicContact CD2-CG 4.5Å; L467-L531 HydrophobicContact CD1-CD2 4.21Å; L467-L531 HydrophobicContact CD2-CD2 4.48Å; L467-L531 HydrophobicContact CG-CD2 4.11Å; L467-F589 HydrophobicContact CD2-CZ 4.39Å
468	A	96.3	Very high	92.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-164	163.6	-177.7	0	0	0	0	0	110.5	R470 N471 V472 W508	A468-R470 HydrophobicContact CB-CG 4.2Å; A468-R470 PolarHBondContact O-N 3.48Å; A468-R470 VanDerWaalsContact O-N 3.12Å; A468-N471 PolarHBondContact O-N 3.09Å; A468-V472 PolarHBondContact O-N 2.73Å; A468-W508 VanDerWaalsContact CB-CD1 3.46Å; A468-W508 HydrophobicContact CB-CD2 4.28Å; A468-W508 HydrophobicContact CB-CG 4.02Å
469	A	97.8	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25	-176.8	0	0	0	0	0	112.9	L426 L427 N471 V472 L531 E534	L426-A469 HydrophobicContact CB-CB 4.39Å; L426-A469 WeakPolarHBondContact CB-O 3.48Å; L426-A469 HydrophobicContact CD2-CB 4.44Å; L426-A469 HydrophobicContact CG-CB 4.33Å; L426-A469 PolarHBondContact N-O 3.37Å; L427-A469 HydrophobicContact CB-CB 4.01Å; L427-A469 PolarHBondContact N-O 3.46Å; A469-N471 VanDerWaalsContact C-N 3.28Å; A469-N471 PolarHBondContact O-N 2.76Å; A469-V472 PolarHBondContact O-N 2.76Å; A469-L531 HydrophobicContact CB-CD1 3.76Å; A469-E534 HydrophobicContact CB-CB 3.98Å; A469-E534 VanDerWaalsContact CB-CD 3.5Å; A469-E534 HydrophobicContact CB-CG 4.38Å; A469-E534 WeakPolarHBondContact CB-OE1 3.45Å; A469-E534 PolarHBondContact N-OE2 2.84Å
470	R	94.5	Very high	92.2	Very high	14 Å²	14	35.5 Å²	35.5	5%	0.053	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.2	-18.2	174.1	72.2	-170	-169.6	-76.5	-16	114.7	N12 L427 D466 A468 P505	N12-R470 PolarHBondContact O-NE 3.25Å; L427-R470 HydrophobicContact CB-CB 4.33Å; L427-R470 HydrophobicContact CD2-CB 3.98Å; D466-R470 IonicContact OD1-CZ 3.27Å; D466-R470 IonicContact OD1-NH1 2.75Å; D466-R470 IonicContact OD1-NH2 3.38Å; D466-R470 PolarHBondContact OD1-NH2 3.01Å; D466-R470 IonicContact OD2-CZ 3.56Å; D466-R470 IonicContact OD2-NH2 2.83Å; D466-R470 PolarHBondContact OD2-NH2 3.32Å; A468-R470 HydrophobicContact CB-CG 4.2Å; A468-R470 PolarHBondContact O-N 3.48Å; A468-R470 VanDerWaalsContact O-N 3.12Å; R470-P505 VanDerWaalsContact NH2-CB 3.34Å
471	N	94.6	Very high	92.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-111.7	12.1	178.7	-61.5	-16.8	0	0	0	112	D466 A468 A469 A483	D466-N471 PolarHBondContact O-ND2 2.84Å; D466-N471 PolarHBondContact OD2-ND2 2.97Å; A468-N471 PolarHBondContact O-N 3.09Å; A469-N471 VanDerWaalsContact C-N 3.28Å; A469-N471 PolarHBondContact O-N 2.76Å; N471-A483 PolarHBondContact O-N 3.3Å
472	V	97.5	Very high	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.4	162.5	179	0	0	0	0	107	S425 L426 I450 A468 A469 V480 L531	S425-V472 CarbonylContact C-O 3.57Å; S425-V472 VanDerWaalsContact CA-O 3.3Å; S425-V472 WeakPolarHBondContact CA-O 3.46Å; L426-V472 HydrophobicContact CB-CB 3.91Å; L426-V472 HydrophobicContact CB-CG1 4.07Å; L426-V472 HydrophobicContact CD2-CB 4.06Å; L426-V472 HydrophobicContact CD2-CG1 3.96Å; L426-V472 PolarHBondContact N-O 2.87Å; I450-V472 HydrophobicContact CD1-CG1 3.93Å; I450-V472 HydrophobicContact CD1-CG2 4.2Å; I450-V472 HydrophobicContact CG1-CG1 4.01Å; I450-V472 HydrophobicContact CG1-CG2 4.36Å; I450-V472 HydrophobicContact CG2-CG2 4.36Å; A468-V472 PolarHBondContact O-N 2.73Å; A469-V472 PolarHBondContact O-N 2.76Å; V472-V480 HydrophobicContact CG1-CB 4.12Å; V472-L531 HydrophobicContact CG2-CD2 4.32Å
473	L	96.9	Very high	92.6	Very high	12 Å²	12	18.1 Å²	18.1	6%	0.063	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.6	178.6	-60.1	179.5	0	0	0	111.1	I15 I402 M421 G424 V480 K481 A483	I15-L473 HydrophobicContact CD1-CD1 4.13Å; I15-L473 HydrophobicContact CD1-CD2 4.31Å; I402-L473 HydrophobicContact CD1-CD1 3.9Å; I402-L473 HydrophobicContact CG1-CD1 4.25Å; M421-L473 HydrophobicContact CB-CB 3.71Å; M421-L473 HydrophobicContact CB-CD1 4.21Å; M421-L473 HydrophobicContact CE-CB 4.15Å; M421-L473 WeakPolarHBondContact CE-O 3.18Å; M421-L473 HydrophobicContact CG-CB 3.66Å; M421-L473 HydrophobicContact CG-CD1 3.95Å; M421-L473 HydrophobicContact CG-CG 4.46Å; G424-L473 CarbonylContact O-C 3.54Å; G424-L473 VanDerWaalsContact O-CA 3.27Å; G424-L473 WeakPolarHBondContact O-CA 3.49Å; L473-V480 WeakPolarHBondContact O-CA 3.46Å; L473-K481 PolarHBondContact N-O 3.19Å; L473-K481 PolarHBondContact O-N 2.97Å; L473-A483 HydrophobicContact CD1-CB 3.77Å; L473-A483 HydrophobicContact CG-CB 3.84Å
474	V	96.2	Very high	92.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	-177.2	-170.6	0	0	0	0	109.5	M421 K423 G424 L426 Y429 M446 A479 V480	M421-V474 CarbonylContact C-O 3.57Å; K423-V474 WeakPolarHBondContact CA-O 3.2Å; K423-V474 HydrophobicContact CB-CB 3.91Å; K423-V474 HydrophobicContact CB-CG1 3.96Å; K423-V474 WeakPolarHBondContact CB-O 3.28Å; K423-V474 HydrophobicContact CG-CG1 4.26Å; K423-V474 PolarHBondContact N-O 3.4Å; G424-V474 PolarHBondContact N-O 2.83Å; G424-V474 PolarHBondContact O-N 3.49Å; L426-V474 HydrophobicContact CB-CG2 3.88Å; L426-V474 HydrophobicContact CD1-CG2 3.78Å; L426-V474 HydrophobicContact CG-CG2 4.46Å; Y429-V474 HydrophobicContact CD1-CB 4.26Å; Y429-V474 HydrophobicContact CD1-CG1 3.79Å; Y429-V474 HydrophobicContact CD1-CG2 3.92Å; Y429-V474 HydrophobicContact CD2-CG1 4.33Å; Y429-V474 HydrophobicContact CE1-CG1 3.94Å; Y429-V474 HydrophobicContact CE2-CG1 4.49Å; Y429-V474 HydrophobicContact CG-CB 4.16Å; Y429-V474 HydrophobicContact CG-CG1 3.98Å; Y429-V474 HydrophobicContact CG-CG2 4.05Å; M446-V474 HydrophobicContact CE-CG1 4.48Å; M446-V474 HydrophobicContact CE-CG2 4.4Å; V474-A479 CarbonylContact C-O 3.52Å; V474-A479 WeakPolarHBondContact CA-O 3.48Å; V474-V480 HydrophobicContact CG2-CG1 4.35Å
475	G	91.3	Very high	91.5	Very high	6 Å²	6	16.7 Å²	16.7	6%	0.062	8%	0.083	C	C	.	.			trans	-102.7	-160.1	174.2	0	0	0	0	0	111.3	M421 K423 A479	M421-G475 VanDerWaalsContact CE-N 3.35Å; K423-G475 VanDerWaalsContact CG-O 3.28Å; K423-G475 WeakPolarHBondContact CG-O 3.23Å; G475-A479 PolarHBondContact N-O 3.39Å
476	E	85.7	Confident	90.1	Very high	90 Å²	90	15.2 Å²	15.2	42%	0.421	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-62.8	150	173.4	-61.2	-52.4	144.6	0	0	112.1	S422 K423 H478 A479	S422-E476 WeakPolarHBondContact CB-OE1 3.26Å; S422-E476 VanDerWaalsContact OG-CD 3.3Å; S422-E476 PolarHBondContact OG-N 3.25Å; S422-E476 PolarHBondContact OG-OE1 3.22Å; K423-E476 VanDerWaalsContact CE-OE2 3.3Å; K423-E476 WeakPolarHBondContact CE-OE2 3.33Å; K423-E476 IonicContact NZ-OE2 3.94Å; E476-H478 VanDerWaalsContact C-N 3.27Å; E476-H478 PolarHBondContact O-N 3.2Å; E476-H478 VanDerWaalsContact O-N 3.14Å; E476-A479 WeakPolarHBondContact O-CB 3.42Å; E476-A479 PolarHBondContact O-N 3.13Å; E476-A479 VanDerWaalsContact O-N 3.1Å
477	Q	80.3	Confident	88.5	Confident	63 Å²	63	15 Å²	15	29%	0.294	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	43.6	48	178	-43.3	97.4	-2.3	0	0	114.5	L238 P323 A479	L238-Q477 HydrophobicContact CD1-CB 4.16Å; L238-Q477 HydrophobicContact CD1-CG 4.19Å; P323-Q477 VanDerWaalsContact CA-CD 3.46Å; P323-Q477 HydrophobicContact CB-CB 3.36Å; P323-Q477 HydrophobicContact CB-CG 3.44Å; P323-Q477 VanDerWaalsContact CB-CG 3.44Å; P323-Q477 PolarHBondContact O-NE2 2.79Å; P323-Q477 PolarHBondContact O-OE1 2.88Å; Q477-A479 PolarHBondContact O-N 3.23Å
478	H	83.8	Confident	86.3	Confident	21 Å²	21	15.8 Å²	15.8	10%	0.097	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	64.8	21.6	173.1	-39	141.5	0	0	0	114.3	H234 Y429 C442 M446 E476 V480	H234-H478 AromaticContact CE1-CE1 3.49Å; H234-H478 PolarHBondContact CE1-CE1 2.76Å; H234-H478 VanDerWaalsContact CE1-CE1 3.49Å; H234-H478 AromaticContact CE1-ND1 3.21Å; H234-H478 PolarHBondContact CE1-ND1 3.49Å; H234-H478 AromaticContact NE2-CE1 3.51Å; H234-H478 AromaticContact NE2-ND1 2.91Å; H234-H478 PolarHBondContact NE2-ND1 3.2Å; Y429-H478 AromaticContact CZ-CD2 3.92Å; Y429-H478 PolarHBondContact OH-CD2 3.35Å; Y429-H478 PolarHBondContact OH-NE2 3.21Å; Y429-H478 VanDerWaalsContact OH-NE2 3.17Å; C442-H478 PolarHBondContact SG-ND1 3.04Å; C442-H478 VanDerWaalsContact SG-ND1 3.42Å; M446-H478 HydrophobicContact CE-CB 4.46Å; M446-H478 HydrophobicContact CG-CB 4.38Å; M446-H478 HydrophobicContact SD-CB 4.24Å; E476-H478 VanDerWaalsContact C-N 3.27Å; E476-H478 PolarHBondContact O-N 3.2Å; E476-H478 VanDerWaalsContact O-N 3.14Å; H478-V480 PolarHBondContact O-N 3.02Å; H478-V480 VanDerWaalsContact O-N 3.09Å
479	A	88.5	Confident	84	Confident	28 Å²	28	23.7 Å²	23.7	23%	0.231	12%	0.117	C	C	.	.			trans	-63.4	109.3	170.2	0	0	0	0	0	110.3	T324 M421 V474 G475 E476 Q477	T324-A479 HydrophobicContact CG2-CB 4.14Å; M421-A479 WeakPolarHBondContact CE-O 3.29Å; V474-A479 CarbonylContact C-O 3.52Å; V474-A479 WeakPolarHBondContact CA-O 3.48Å; G475-A479 PolarHBondContact N-O 3.39Å; E476-A479 WeakPolarHBondContact O-CB 3.42Å; E476-A479 PolarHBondContact O-N 3.13Å; E476-A479 VanDerWaalsContact O-N 3.1Å; Q477-A479 PolarHBondContact O-N 3.23Å
480	V	95.6	Very high	81.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.5	178.9	-65.8	0	0	0	0	112.2	N400 M446 K449 I450 V472 L473 V474 H478	N400-V480 PolarHBondContact ND2-O 3.26Å; M446-V480 HydrophobicContact CB-CG1 4.15Å; M446-V480 HydrophobicContact CE-CG1 3.43Å; M446-V480 VanDerWaalsContact CE-CG1 3.43Å; M446-V480 HydrophobicContact CG-CG1 4.1Å; K449-V480 HydrophobicContact CB-CG2 3.39Å; K449-V480 HydrophobicContact CD-CG2 4.37Å; K449-V480 HydrophobicContact CG-CG2 4.46Å; I450-V480 HydrophobicContact CG1-CB 4.28Å; I450-V480 HydrophobicContact CG1-CG2 3.94Å; V472-V480 HydrophobicContact CG1-CB 4.12Å; L473-V480 WeakPolarHBondContact O-CA 3.46Å; V474-V480 HydrophobicContact CG2-CG1 4.35Å; H478-V480 PolarHBondContact O-N 3.02Å; H478-V480 VanDerWaalsContact O-N 3.09Å
481	K	96.4	Very high	79.1	Confident	38 Å²	38	28.7 Å²	28.7	17%	0.165	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.9	175.8	-58.2	-169.7	174.6	-156.9	0	111.5	P399 N400 I402 E419 M421 L473	P399-K481 WeakPolarHBondContact O-CE 3.32Å; N400-K481 WeakPolarHBondContact O-CA 3.41Å; I402-K481 HydrophobicContact CD1-CB 4.36Å; I402-K481 HydrophobicContact CD1-CD 4.31Å; E419-K481 WeakPolarHBondContact OE1-CD 3.19Å; E419-K481 IonicContact OE1-NZ 2.69Å; E419-K481 PolarHBondContact OE1-NZ 3.35Å; E419-K481 VanDerWaalsContact OE2-CE 3.26Å; E419-K481 WeakPolarHBondContact OE2-CE 3.43Å; E419-K481 IonicContact OE2-NZ 2.72Å; E419-K481 PolarHBondContact OE2-NZ 3.45Å; M421-K481 HydrophobicContact CE-CB 3.88Å; M421-K481 HydrophobicContact CE-CD 3.99Å; M421-K481 HydrophobicContact CE-CG 3.68Å; M421-K481 HydrophobicContact SD-CD 3.99Å; M421-K481 HydrophobicContact SD-CG 4.35Å; L473-K481 PolarHBondContact N-O 3.19Å; L473-K481 PolarHBondContact O-N 2.97Å
482	I	96.7	Very high	76.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.8	175.8	-55	164.7	0	0	0	108.8	N400 L401 I402 I450 M454 H464 L467 F485	N400-I482 PolarHBondContact O-N 2.89Å; L401-I482 HydrophobicContact CD2-CB 3.81Å; L401-I482 HydrophobicContact CD2-CD1 3.95Å; L401-I482 HydrophobicContact CD2-CG1 4.36Å; L401-I482 HydrophobicContact CD2-CG2 4.46Å; I402-I482 PolarHBondContact N-O 2.92Å; I450-I482 HydrophobicContact CG2-CD1 4.05Å; I450-I482 HydrophobicContact CG2-CG1 4Å; M454-I482 HydrophobicContact CG-CD1 3.72Å; M454-I482 HydrophobicContact SD-CD1 3.82Å; H464-I482 VanDerWaalsContact CD2-CG2 3.4Å; H464-I482 WeakPolarHBondContact CD2-CG2 3.42Å; H464-I482 WeakPolarHBondContact NE2-CG2 3.47Å; L467-I482 HydrophobicContact CD1-CG2 4.22Å; I482-F485 HydrophobicContact CG2-CD1 4.41Å; I482-F485 WeakPolarHBondContact O-CD1 3.3Å; I482-F485 WeakPolarHBondContact O-CE1 3.38Å
483	A	92.5	Very high	73.9	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.025	21%	0.212	C	C	.	.			trans	-116.4	171.1	177.3	0	0	0	0	0	111.3	I402 H464 N471 L473 F485	I402-A483 HydrophobicContact CB-CB 4.25Å; I402-A483 HydrophobicContact CG2-CB 3.93Å; H464-A483 PolarHBondContact NE2-O 2.92Å; H464-A483 VanDerWaalsContact NE2-O 3.13Å; N471-A483 PolarHBondContact O-N 3.3Å; L473-A483 HydrophobicContact CD1-CB 3.77Å; L473-A483 HydrophobicContact CG-CB 3.84Å; A483-F485 PolarHBondContact O-N 3.46Å
484	D	84.3	Confident	71	Confident	14 Å²	14	52.6 Å²	52.6	8%	0.075	25%	0.249	C	C	.	.	S	Bend	trans	59.1	15.1	173.8	-61.9	-66.8	0	0	0	115.6	W14 K374 G486 L487	W14-D484 HydrophobicContact CB-CB 4.23Å; W14-D484 WeakPolarHBondContact CB-OD1 3.31Å; W14-D484 WeakPolarHBondContact CB-OD2 3.42Å; W14-D484 HydrophobicContact CG-CB 4.19Å; K374-D484 IonicContact NZ-OD1 3.95Å; K374-D484 PolarHBondContact NZ-OD1 3.03Å; D484-G486 PolarHBondContact O-N 3.43Å; D484-L487 HydrophobicContact CB-CD1 3.75Å; D484-L487 HydrophobicContact CB-CG 4.43Å; D484-L487 PolarHBondContact O-N 3.28Å; D484-L487 VanDerWaalsContact OD1-CD1 3.22Å; D484-L487 WeakPolarHBondContact OD1-CD1 3.31Å
485	F	76.7	Confident	68	Low	2 Å²	2	61.6 Å²	61.6	1%	0.009	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	123.4	175.4	53.4	-96	0	0	0	111.6	T392 M393 L396 L401 I402 L457 H464 I482 A483	T392-F485 HydrophobicContact CG2-CD2 4.3Å; M393-F485 HydrophobicContact CB-CE2 4.37Å; M393-F485 HydrophobicContact CB-CZ 4.48Å; M393-F485 HydrophobicContact CG-CE2 3.92Å; M393-F485 HydrophobicContact CG-CZ 4.07Å; L396-F485 HydrophobicContact CB-CE2 4.05Å; L396-F485 HydrophobicContact CD1-CD2 3.77Å; L396-F485 HydrophobicContact CD1-CE2 3.69Å; L401-F485 HydrophobicContact CB-CE1 3.8Å; L401-F485 HydrophobicContact CB-CZ 4.05Å; L401-F485 HydrophobicContact CD1-CE1 4.38Å; L401-F485 HydrophobicContact CD1-CZ 4.21Å; L401-F485 HydrophobicContact CD2-CD1 4.07Å; L401-F485 HydrophobicContact CD2-CE1 4.04Å; L401-F485 HydrophobicContact CG-CE1 4.28Å; I402-F485 HydrophobicContact CG2-CE1 3.92Å; L457-F485 HydrophobicContact CD1-CB 4.14Å; L457-F485 HydrophobicContact CD2-CD2 4.49Å; H464-F485 VanDerWaalsContact CD2-CB 3.49Å; H464-F485 WeakPolarHBondContact CD2-CB 2.71Å; I482-F485 HydrophobicContact CG2-CD1 4.41Å; I482-F485 WeakPolarHBondContact O-CD1 3.3Å; I482-F485 WeakPolarHBondContact O-CE1 3.38Å; A483-F485 PolarHBondContact O-N 3.46Å
486	G	61.4	Low	65.4	Low	13 Å²	13	66.2 Å²	66.2	13%	0.134	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-5.7	179.1	0	0	0	0	0	115.6	H462 D484	H462-G486 WeakPolarHBondContact NE2-CA 3.39Å; H462-G486 PolarHBondContact NE2-N 3.49Å; D484-G486 PolarHBondContact O-N 3.43Å
487	L	56.1	Low	63	Low	10 Å²	10	66.1 Å²	66.1	5%	0.052	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-68.6	-38.1	-179	-73.6	-174.6	0	0	0	114.7	W14 F357 K374 E389 D484 R489	W14-L487 HydrophobicContact CD2-CD1 3.79Å; W14-L487 HydrophobicContact CE3-CD1 3.86Å; W14-L487 HydrophobicContact CG-CD1 4.32Å; W14-L487 HydrophobicContact CH2-CD1 4.25Å; W14-L487 HydrophobicContact CZ2-CB 4.46Å; W14-L487 HydrophobicContact CZ2-CD1 4.22Å; W14-L487 HydrophobicContact CZ3-CD1 4.09Å; F357-L487 HydrophobicContact CD2-CD2 4.35Å; F357-L487 HydrophobicContact CE2-CD1 4.08Å; F357-L487 HydrophobicContact CE2-CD2 3.58Å; F357-L487 HydrophobicContact CE2-CG 4.3Å; F357-L487 HydrophobicContact CZ-CD2 4.42Å; K374-L487 VanDerWaalsContact NZ-CD1 3.34Å; E389-L487 HydrophobicContact CB-CD2 3.73Å; E389-L487 HydrophobicContact CG-CD2 3.57Å; E389-L487 HydrophobicContact CG-CG 4.36Å; E389-L487 WeakPolarHBondContact OE2-CD2 3.2Å; D484-L487 HydrophobicContact CB-CD1 3.75Å; D484-L487 HydrophobicContact CB-CG 4.43Å; D484-L487 PolarHBondContact O-N 3.28Å; D484-L487 VanDerWaalsContact OD1-CD1 3.22Å; D484-L487 WeakPolarHBondContact OD1-CD1 3.31Å; L487-R489 PolarHBondContact O-N 2.77Å
488	A	49	Very low	61	Low	17 Å²	17	67.2 Å²	67.2	14%	0.14	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-75.1	20.3	-177.2	0	0	0	0	0	114.2	R465 M490	R465-A488 HydrophobicContact CB-CB 3.59Å; R465-A488 VanDerWaalsContact CD-O 3.23Å; R465-A488 WeakPolarHBondContact CD-O 3.29Å; R465-A488 HydrophobicContact CG-CB 4.47Å; R465-A488 PolarHBondContact NH1-O 2.89Å; A488-M490 PolarHBondContact O-N 2.79Å
489	R	48.9	Very low	58.6	Low	166 Å²	166	72.9 Å²	72.9	63%	0.626	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-71.7	-7.6	165	-128.7	175.8	179.1	169.2	-0.3	113.4	L487	L487-R489 PolarHBondContact O-N 2.77Å
490	M	44.2	Very low	56.3	Low	64 Å²	64	77.3 Å²	77.3	32%	0.315	40%	0.396	S	S	.	.			trans	-92.2	-13.9	-165.3	-94.1	-65.2	-73.7	0	0	117.7	D385 R388 A488 H492	D385-M490 HydrophobicContact CB-CE 4.17Å; D385-M490 HydrophobicContact CB-CG 3.86Å; D385-M490 HydrophobicContact CB-SD 3.78Å; D385-M490 VanDerWaalsContact CG-CE 3.44Å; D385-M490 WeakPolarHBondContact OD2-CE 3.31Å; R388-M490 PolarHBondContact NH2-SD 2.84Å; A488-M490 PolarHBondContact O-N 2.79Å; M490-H492 PolarHBondContact O-N 3.03Å; M490-H492 VanDerWaalsContact O-N 3.13Å
491	I	44.8	Very low	53.6	Low	56 Å²	56	80.5 Å²	80.5	29%	0.287	43%	0.428	S	S	.	.	S	Bend	trans	-74.5	-2.3	-176.1	-75.4	167.3	0	0	0	112.9	N493 Y496 F504	I491-N493 PolarHBondContact O-N 2.87Å; I491-Y496 HydrophobicContact CG2-CD1 4.25Å; I491-Y496 HydrophobicContact CG2-CD2 3.52Å; I491-Y496 HydrophobicContact CG2-CE1 4.12Å; I491-Y496 HydrophobicContact CG2-CE2 3.38Å; I491-Y496 HydrophobicContact CG2-CG 3.95Å; I491-F504 HydrophobicContact CD1-CD2 3.58Å; I491-F504 HydrophobicContact CD1-CE2 3.55Å
492	H	40.8	Very low	50.9	Low	126 Å²	126	80.6 Å²	80.6	58%	0.583	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	30.8	-159.2	-128.7	53.8	0	0	0	116.3	M490	M490-H492 PolarHBondContact O-N 3.03Å; M490-H492 VanDerWaalsContact O-N 3.13Å
493	N	43	Very low	49.1	Very low	162 Å²	162	89.9 Å²	89.9	87%	0.866	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	10.1	179.8	-101.9	-20.4	0	0	0	116.8	I491	I491-N493 PolarHBondContact O-N 2.87Å
494	R	35.7	Very low	48	Very low	226 Å²	226	90.6 Å²	90.6	85%	0.853	47%	0.474	S	S	*	.	S	Bend	trans	-140.5	115.1	167.3	-66.8	-171.2	-177.2	-176.9	2	109.5	Y496	R494-Y496 PolarHBondContact O-N 2.86Å; R494-Y496 VanDerWaalsContact O-N 3.08Å
495	E	32	Very low	48.1	Very low	189 Å²	189	90.6 Å²	90.6	88%	0.883	48%	0.475	S	S	*	.			trans	-13.3	93.4	178.9	-64.7	172.4	152.4	0	0	115.5	V497	E495-V497 PolarHBondContact O-N 2.77Å
496	Y	37.3	Very low	48.8	Very low	102 Å²	102	91.7 Å²	91.7	40%	0.4	48%	0.48	S	S	.	.			trans	-80.5	69.8	169.7	-115.7	-111.7	0	0	0	110.1	I491 R494 A502 F504	I491-Y496 HydrophobicContact CG2-CD1 4.25Å; I491-Y496 HydrophobicContact CG2-CD2 3.52Å; I491-Y496 HydrophobicContact CG2-CE1 4.12Å; I491-Y496 HydrophobicContact CG2-CE2 3.38Å; I491-Y496 HydrophobicContact CG2-CG 3.95Å; R494-Y496 PolarHBondContact O-N 2.86Å; R494-Y496 VanDerWaalsContact O-N 3.08Å; Y496-A502 HydrophobicContact CE1-CB 3.92Å; Y496-F504 HydrophobicContact CE1-CB 4.46Å
497	V	36	Very low	50.4	Low	89 Å²	89	92.1 Å²	92.1	54%	0.539	48%	0.478	S	S	.	.			trans	-77.5	125.9	153.9	-175.7	0	0	0	0	106.3	E495 H499	E495-V497 PolarHBondContact O-N 2.77Å; V497-H499 WeakPolarHBondContact CB-ND1 3.35Å; V497-H499 WeakPolarHBondContact CG1-CE1 3.38Å; V497-H499 PolarHBondContact O-N 2.63Å; V497-H499 PolarHBondContact O-ND1 2.93Å
498	A	36.9	Very low	52.4	Low	85 Å²	85	93 Å²	93	70%	0.702	48%	0.481	S	S	*	.			trans	-70.5	57.9	-177.5	0	0	0	0	0	113.1
499	H	35	Very low	54.5	Low	141 Å²	141	92.8 Å²	92.8	65%	0.653	48%	0.478	S	S	*	.			trans	-68.1	149.4	165.2	-63.3	99.2	0	0	0	109.6	V497 G501 A502	V497-H499 WeakPolarHBondContact CB-ND1 3.35Å; V497-H499 WeakPolarHBondContact CG1-CE1 3.38Å; V497-H499 PolarHBondContact O-N 2.63Å; V497-H499 PolarHBondContact O-ND1 2.93Å; H499-G501 PolarHBondContact O-N 3.43Å; H499-A502 PolarHBondContact O-N 2.86Å
500	A	39.6	Very low	56.7	Low	121 Å²	121	84.9 Å²	84.9	100%	1	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	19.3	-170.6	0	0	0	0	0	116.8
501	G	38.2	Very low	59	Low	66 Å²	66	82.7 Å²	82.7	68%	0.68	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-3.3	176.9	0	0	0	0	0	115.5	H499 R503	H499-G501 PolarHBondContact O-N 3.43Å; G501-R503 PolarHBondContact O-N 3.12Å
502	A	39.5	Very low	61.3	Low	40 Å²	40	80.5 Å²	80.5	33%	0.331	43%	0.427	S	S	.	.			trans	-69.2	117.5	177	0	0	0	0	0	111	Y496 H499 F504	Y496-A502 HydrophobicContact CE1-CB 3.92Å; H499-A502 PolarHBondContact O-N 2.86Å; A502-F504 PolarHBondContact O-N 3.18Å
503	R	59.1	Low	63.7	Low	196 Å²	196	74.7 Å²	74.7	74%	0.74	40%	0.401	S	S	*	.			trans	-76.2	44.9	-174.2	-63.3	-175.3	177.6	-172.9	-3.1	114.1	N12 G501	N12-R503 PolarHBondContact ND2-O 3.14Å; G501-R503 PolarHBondContact O-N 3.12Å
504	F	69.4	Low	65.9	Low	18 Å²	18	68.1 Å²	68.1	8%	0.079	37%	0.369	C	S	.	.			trans	-82.6	146.8	175.2	-152.4	-103.6	0	0	0	111.2	I491 Y496 A502 I506 T509 F519	I491-F504 HydrophobicContact CD1-CD2 3.58Å; I491-F504 HydrophobicContact CD1-CE2 3.55Å; Y496-F504 HydrophobicContact CE1-CB 4.46Å; A502-F504 PolarHBondContact O-N 3.18Å; F504-I506 HydrophobicContact CB-CD1 4.08Å; F504-I506 HydrophobicContact CD1-CD1 4.44Å; F504-I506 PolarHBondContact O-N 2.84Å; F504-T509 HydrophobicContact CD1-CG2 3.96Å; F504-T509 WeakPolarHBondContact CD1-OG1 3.47Å; F504-T509 HydrophobicContact CE1-CG2 3.55Å; F504-T509 WeakPolarHBondContact CE1-OG1 3.35Å; F504-F519 HydrophobicContact CE1-CE1 4.02Å; F504-F519 AromaticContact CE1-CZ 3.93Å; F504-F519 HydrophobicContact CE1-CZ 3.93Å; F504-F519 HydrophobicContact CE2-CZ 4.08Å; F504-F519 AromaticContact CZ-CE1 3.56Å; F504-F519 HydrophobicContact CZ-CE1 3.56Å; F504-F519 AromaticContact CZ-CZ 3.45Å; F504-F519 HydrophobicContact CZ-CZ 3.45Å; F504-F519 VanDerWaalsContact CZ-CZ 3.45Å
505	P	87.3	Confident	68.3	Low	14 Å²	14	60.7 Å²	60.7	9%	0.091	35%	0.347	C	S	.	.			trans	-74.8	64	174.9	31.5	-36.9	0	0	0	112	D466 R470 K507 W508 T509	D466-P505 VanDerWaalsContact OD1-CG 3.3Å; D466-P505 WeakPolarHBondContact OD1-CG 3.24Å; R470-P505 VanDerWaalsContact NH2-CB 3.34Å; P505-K507 PolarHBondContact O-N 3.05Å; P505-W508 HydrophobicContact CB-CE3 3.96Å; P505-W508 PolarHBondContact O-N 3.38Å; P505-T509 PolarHBondContact O-N 3.12Å; P505-T509 PolarHBondContact O-OG1 3.21Å
506	I	90.9	Very high	70.9	Confident	25 Å²	25	60 Å²	60	13%	0.128	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-44.9	-44	-173.2	-65.1	-59.4	0	0	0	113.3	F504 W508 T509 N548 L552	F504-I506 HydrophobicContact CB-CD1 4.08Å; F504-I506 HydrophobicContact CD1-CD1 4.44Å; F504-I506 PolarHBondContact O-N 2.84Å; I506-W508 PolarHBondContact O-N 2.87Å; I506-T509 WeakPolarHBondContact CA-OG1 3.4Å; I506-T509 WeakPolarHBondContact O-CB 3.25Å; I506-T509 PolarHBondContact O-N 2.86Å; I506-T509 PolarHBondContact O-OG1 3.33Å; I506-N548 HydrophobicContact CB-CB 3.98Å; I506-N548 HydrophobicContact CG1-CB 4.03Å; I506-N548 HydrophobicContact CG2-CB 4.01Å; I506-L552 HydrophobicContact CD1-CD1 4.36Å; I506-L552 HydrophobicContact CG2-CD1 4.12Å; I506-L552 HydrophobicContact CG2-CD2 3.77Å; I506-L552 HydrophobicContact CG2-CG 3.63Å
507	K	95.7	Very high	73.1	Confident	22 Å²	22	56.9 Å²	56.9	10%	0.096	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-62.9	-20.7	-178.5	-68.4	-179.3	166.5	-156.9	0	115.3	P505 P542 Y543 M546 V551	P505-K507 PolarHBondContact O-N 3.05Å; K507-P542 HydrophobicContact CB-CB 4.32Å; K507-P542 VanDerWaalsContact CD-O 3.28Å; K507-P542 WeakPolarHBondContact CD-O 3.46Å; K507-P542 WeakPolarHBondContact CE-O 3.3Å; K507-P542 PolarHBondContact NZ-O 3.25Å; K507-Y543 HydrophobicContact CB-CD2 4.23Å; K507-Y543 HydrophobicContact CG-CD2 4.25Å; K507-Y543 PolarHBondContact NZ-O 3.29Å; K507-Y543 VanDerWaalsContact NZ-O 3.13Å; K507-M546 VanDerWaalsContact CE-O 3.3Å; K507-M546 WeakPolarHBondContact CE-O 3.26Å; K507-M546 PolarHBondContact NZ-O 2.86Å; K507-V551 HydrophobicContact CG-CG1 4.47Å; K507-V551 HydrophobicContact CG-CG2 4.2Å
508	W	96.4	Very high	75.6	Confident	28 Å²	28	58.4 Å²	58.4	11%	0.106	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-100.5	-5	175.6	-67.8	-99.7	0	0	0	113	A468 P505 I506 S527 I530 E534 P542	A468-W508 VanDerWaalsContact CB-CD1 3.46Å; A468-W508 HydrophobicContact CB-CD2 4.28Å; A468-W508 HydrophobicContact CB-CG 4.02Å; P505-W508 HydrophobicContact CB-CE3 3.96Å; P505-W508 PolarHBondContact O-N 3.38Å; I506-W508 PolarHBondContact O-N 2.87Å; W508-S527 WeakPolarHBondContact O-CA 3.47Å; W508-S527 WeakPolarHBondContact O-CB 3.48Å; W508-S527 PolarHBondContact O-OG 3.28Å; W508-I530 VanDerWaalsContact CD1-CG2 3.44Å; W508-I530 HydrophobicContact CD2-CG2 4.34Å; W508-I530 HydrophobicContact CG-CB 4.49Å; W508-I530 HydrophobicContact CG-CG2 3.9Å; W508-E534 HydrophobicContact CZ2-CG 4.48Å; W508-E534 WeakPolarHBondContact CZ2-OE1 3.44Å; W508-E534 PolarHBondContact NE1-OE2 3.42Å; W508-P542 HydrophobicContact CH2-CG 4.28Å; W508-P542 HydrophobicContact CZ2-CG 3.74Å
509	T	93.8	Very high	78.2	Confident	12 Å²	12	55.8 Å²	55.8	7%	0.074	30%	0.299	C	S	.	.			trans	-89	135.9	-170	-47.2	0	0	0	0	110.2	F504 P505 I506 A513 A514 W526	F504-T509 HydrophobicContact CD1-CG2 3.96Å; F504-T509 WeakPolarHBondContact CD1-OG1 3.47Å; F504-T509 HydrophobicContact CE1-CG2 3.55Å; F504-T509 WeakPolarHBondContact CE1-OG1 3.35Å; P505-T509 PolarHBondContact O-N 3.12Å; P505-T509 PolarHBondContact O-OG1 3.21Å; I506-T509 WeakPolarHBondContact CA-OG1 3.4Å; I506-T509 WeakPolarHBondContact O-CB 3.25Å; I506-T509 PolarHBondContact O-N 2.86Å; I506-T509 PolarHBondContact O-OG1 3.33Å; T509-A513 HydrophobicContact CG2-CB 3.78Å; T509-A514 HydrophobicContact CG2-CB 3.8Å; T509-W526 PolarHBondContact O-NE1 3.18Å; T509-W526 VanDerWaalsContact O-NE1 3.12Å
510	S	95	Very high	80.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.			trans	-71.4	155.5	172	65.7	0	0	0	0	111.8	E512 A513 A514 S523	S510-E512 VanDerWaalsContact C-N 3.31Å; S510-E512 WeakPolarHBondContact CB-OE1 3.5Å; S510-E512 PolarHBondContact O-N 3.12Å; S510-E512 PolarHBondContact OG-OE1 3.42Å; S510-E512 PolarHBondContact OG-OE2 3.17Å; S510-A513 PolarHBondContact O-N 3.27Å; S510-A513 VanDerWaalsContact O-N 3.1Å; S510-A513 VanDerWaalsContact OG-CB 3.25Å; S510-A513 WeakPolarHBondContact OG-CB 3.39Å; S510-A513 PolarHBondContact OG-N 3.26Å; S510-A514 PolarHBondContact O-N 2.77Å; S510-S523 WeakPolarHBondContact OG-CB 3.38Å
511	P	93.4	Very high	83.6	Confident	19 Å²	19	46.6 Å²	46.6	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-56.2	-44.1	-177.1	-25.6	35	0	0	0	112.7	A513 A514 N515 W526 V555	P511-A513 VanDerWaalsContact C-N 3.34Å; P511-A513 PolarHBondContact O-N 2.82Å; P511-A514 PolarHBondContact O-N 2.63Å; P511-N515 VanDerWaalsContact O-CB 3.31Å; P511-N515 WeakPolarHBondContact O-CB 3.48Å; P511-N515 PolarHBondContact O-N 2.93Å; P511-W526 HydrophobicContact CG-CE3 4.49Å; P511-W526 HydrophobicContact CG-CH2 3.79Å; P511-W526 HydrophobicContact CG-CZ2 4.31Å; P511-W526 HydrophobicContact CG-CZ3 3.87Å; P511-V555 HydrophobicContact CG-CG1 3.8Å
512	E	92.4	Very high	86.4	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-71.4	-27.4	-179.6	73.3	-72.1	163.7	0	0	113.7	S510 Y516 S517 R518 E583 R586	S510-E512 VanDerWaalsContact C-N 3.31Å; S510-E512 WeakPolarHBondContact CB-OE1 3.5Å; S510-E512 PolarHBondContact O-N 3.12Å; S510-E512 PolarHBondContact OG-OE1 3.42Å; S510-E512 PolarHBondContact OG-OE2 3.17Å; E512-Y516 HydrophobicContact CB-CD2 4.25Å; E512-Y516 CarbonylContact O-C 3.58Å; E512-Y516 WeakPolarHBondContact O-CA 3.39Å; E512-Y516 WeakPolarHBondContact O-CB 3.45Å; E512-Y516 PolarHBondContact O-N 3.18Å; E512-Y516 VanDerWaalsContact O-N 3.13Å; E512-S517 PolarHBondContact O-N 3.09Å; E512-R518 HydrophobicContact CG-CB 4.46Å; E512-R518 PolarHBondContact O-N 2.84Å; E512-R518 VanDerWaalsContact O-N 3.16Å; E512-E583 WeakPolarHBondContact CG-OE2 3.17Å; E512-R586 IonicContact OE1-CZ 3.41Å; E512-R586 IonicContact OE1-NH1 3.49Å; E512-R586 PolarHBondContact OE1-NH1 2.95Å; E512-R586 IonicContact OE1-NH2 2.64Å; E512-R586 IonicContact OE2-CZ 3.66Å; E512-R586 IonicContact OE2-NH1 2.68Å; E512-R586 PolarHBondContact OE2-NH1 3.21Å; E512-R586 IonicContact OE2-NH2 3.71Å; E512-R586 PolarHBondContact OE2-NH2 3.41Å
513	A	91.2	Very high	89.1	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-76.4	-37.4	173.3	0	0	0	0	0	111.5	T509 S510 P511 S517 F519	T509-A513 HydrophobicContact CG2-CB 3.78Å; S510-A513 PolarHBondContact O-N 3.27Å; S510-A513 VanDerWaalsContact O-N 3.1Å; S510-A513 VanDerWaalsContact OG-CB 3.25Å; S510-A513 WeakPolarHBondContact OG-CB 3.39Å; S510-A513 PolarHBondContact OG-N 3.26Å; P511-A513 VanDerWaalsContact C-N 3.34Å; P511-A513 PolarHBondContact O-N 2.82Å; A513-S517 WeakPolarHBondContact O-CA 3.47Å; A513-S517 PolarHBondContact O-N 2.93Å; A513-S517 VanDerWaalsContact O-N 3.15Å; A513-F519 HydrophobicContact CB-CD1 3.88Å; A513-F519 HydrophobicContact CB-CE1 3.74Å; A513-F519 HydrophobicContact CB-CG 4.38Å; A513-F519 HydrophobicContact CB-CZ 4.1Å
514	A	88.6	Confident	91	Very high	24 Å²	24	34.5 Å²	34.5	20%	0.198	17%	0.166	C	C	.	.	H	α-helix	trans	-71.1	-48	177.3	0	0	0	0	0	112.4	T509 S510 P511 L552	T509-A514 HydrophobicContact CG2-CB 3.8Å; S510-A514 PolarHBondContact O-N 2.77Å; P511-A514 PolarHBondContact O-N 2.63Å; A514-L552 HydrophobicContact CB-CD2 3.6Å
515	N	86.6	Confident	92.4	Very high	70 Å²	70	33.7 Å²	33.7	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-84.4	-31	-172.5	-68.9	-24.2	0	0	0	113.3	P511 D556	P511-N515 VanDerWaalsContact O-CB 3.31Å; P511-N515 WeakPolarHBondContact O-CB 3.48Å; P511-N515 PolarHBondContact O-N 2.93Å; N515-D556 VanDerWaalsContact ND2-CG 3.31Å; N515-D556 PolarHBondContact ND2-OD1 2.71Å; N515-D556 PolarHBondContact ND2-OD2 2.82Å
516	Y	86.7	Confident	92.9	Very high	175 Å²	175	33.1 Å²	33.1	69%	0.686	16%	0.158	S	C	*	.	H	α-helix	trans	-126.1	7	-173.2	-45.9	-62.2	0	0	0	114.1	E512 R518	E512-Y516 HydrophobicContact CB-CD2 4.25Å; E512-Y516 CarbonylContact O-C 3.58Å; E512-Y516 WeakPolarHBondContact O-CA 3.39Å; E512-Y516 WeakPolarHBondContact O-CB 3.45Å; E512-Y516 PolarHBondContact O-N 3.18Å; E512-Y516 VanDerWaalsContact O-N 3.13Å; Y516-R518 PolarHBondContact O-N 3.35Å; Y516-R518 VanDerWaalsContact O-N 3.09Å
517	S	84.4	Confident	93.2	Very high	36 Å²	36	32.1 Å²	32.1	25%	0.252	15%	0.154	S	C	.	.			trans	54.8	23.1	-173.7	-64.5	0	0	0	0	114.3	E512 A513 F519	E512-S517 PolarHBondContact O-N 3.09Å; A513-S517 WeakPolarHBondContact O-CA 3.47Å; A513-S517 PolarHBondContact O-N 2.93Å; A513-S517 VanDerWaalsContact O-N 3.15Å; S517-F519 VanDerWaalsContact O-CD2 3.27Å; S517-F519 WeakPolarHBondContact O-CD2 3.32Å; S517-F519 PolarHBondContact O-N 2.98Å; S517-F519 VanDerWaalsContact O-N 3.08Å
518	R	88.6	Confident	93.4	Very high	120 Å²	120	31.1 Å²	31.1	45%	0.453	15%	0.149	S	C	.	.			trans	-86.4	75.7	-175.8	-166.1	176.6	73.4	-160	-0.3	111.8	E512 Y516 T520 E583	E512-R518 HydrophobicContact CG-CB 4.46Å; E512-R518 PolarHBondContact O-N 2.84Å; E512-R518 VanDerWaalsContact O-N 3.16Å; Y516-R518 PolarHBondContact O-N 3.35Å; Y516-R518 VanDerWaalsContact O-N 3.09Å; R518-T520 HydrophobicContact CG-CG2 4.25Å; R518-E583 IonicContact CZ-OE1 3.59Å; R518-E583 IonicContact CZ-OE2 3.53Å; R518-E583 IonicContact NE-OE1 3.49Å; R518-E583 IonicContact NE-OE2 2.74Å; R518-E583 PolarHBondContact NE-OE2 3.21Å; R518-E583 IonicContact NH2-OE1 2.78Å; R518-E583 PolarHBondContact NH2-OE1 3.34Å; R518-E583 IonicContact NH2-OE2 2.73Å; R518-E583 PolarHBondContact NH2-OE2 3.18Å
519	F	89.9	Confident	93.5	Very high	31 Å²	31	29.8 Å²	29.8	14%	0.136	14%	0.144	C	C	.	.			trans	-75.7	125.8	175.4	-65	-85	0	0	0	112.1	R465 F504 A513 S517 S523	R465-F519 HydrophobicContact CB-CD1 3.96Å; R465-F519 HydrophobicContact CB-CE1 4.42Å; R465-F519 HydrophobicContact CG-CB 4.06Å; R465-F519 HydrophobicContact CG-CD1 4.04Å; R465-F519 HydrophobicContact CG-CG 4.17Å; F504-F519 HydrophobicContact CE1-CE1 4.02Å; F504-F519 AromaticContact CE1-CZ 3.93Å; F504-F519 HydrophobicContact CE1-CZ 3.93Å; F504-F519 HydrophobicContact CE2-CZ 4.08Å; F504-F519 AromaticContact CZ-CE1 3.56Å; F504-F519 HydrophobicContact CZ-CE1 3.56Å; F504-F519 AromaticContact CZ-CZ 3.45Å; F504-F519 HydrophobicContact CZ-CZ 3.45Å; F504-F519 VanDerWaalsContact CZ-CZ 3.45Å; A513-F519 HydrophobicContact CB-CD1 3.88Å; A513-F519 HydrophobicContact CB-CE1 3.74Å; A513-F519 HydrophobicContact CB-CG 4.38Å; A513-F519 HydrophobicContact CB-CZ 4.1Å; S517-F519 VanDerWaalsContact O-CD2 3.27Å; S517-F519 WeakPolarHBondContact O-CD2 3.32Å; S517-F519 PolarHBondContact O-N 2.98Å; S517-F519 VanDerWaalsContact O-N 3.08Å; F519-S523 WeakPolarHBondContact CA-OG 3.5Å
520	T	93.3	Very high	93.7	Very high	35 Å²	35	29.2 Å²	29.2	22%	0.215	14%	0.141	C	C	.	.			trans	-140.8	173.3	179.2	70.1	0	0	0	0	110	I463 R518 K522 S523 D524	I463-T520 WeakPolarHBondContact CG2-O 3.34Å; R518-T520 HydrophobicContact CG-CG2 4.25Å; T520-K522 PolarHBondContact O-N 3.01Å; T520-K522 WeakPolarHBondContact OG1-CB 3.27Å; T520-K522 PolarHBondContact OG1-N 3.06Å; T520-K522 VanDerWaalsContact OG1-N 3.09Å; T520-S523 PolarHBondContact N-OG 2.97Å; T520-S523 PolarHBondContact O-N 3.32Å; T520-S523 VanDerWaalsContact O-N 3.09Å; T520-S523 PolarHBondContact O-OG 3.03Å; T520-S523 PolarHBondContact OG1-N 3.16Å; T520-D524 PolarHBondContact O-N 3.02Å
521	I	95.4	Very high	93.9	Very high	34 Å²	34	29.2 Å²	29.2	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-25.9	169.9	-164.1	65.8	0	0	0	111.8	M454 E458 D524 V525 F589	M454-I521 HydrophobicContact CE-CD1 4.2Å; E458-I521 HydrophobicContact CB-CD1 3.95Å; E458-I521 HydrophobicContact CB-CG1 3.82Å; E458-I521 HydrophobicContact CG-CG1 3.91Å; I521-D524 HydrophobicContact CD1-CB 4.38Å; I521-D524 WeakPolarHBondContact O-CB 3.21Å; I521-D524 PolarHBondContact O-N 3.31Å; I521-V525 WeakPolarHBondContact O-CG2 3.5Å; I521-V525 PolarHBondContact O-N 3.08Å; I521-F589 HydrophobicContact CD1-CD2 3.84Å; I521-F589 HydrophobicContact CD1-CE2 3.73Å; I521-F589 HydrophobicContact CG1-CD2 3.86Å; I521-F589 HydrophobicContact CG1-CE2 3.95Å
522	K	98	Very high	94.2	Very high	45 Å²	45	28.4 Å²	28.4	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-74.9	-24.7	175.4	-60.1	-61.8	-171.7	172.5	0	113.1	T520 W526 E583 R586 P587	T520-K522 PolarHBondContact O-N 3.01Å; T520-K522 WeakPolarHBondContact OG1-CB 3.27Å; T520-K522 PolarHBondContact OG1-N 3.06Å; T520-K522 VanDerWaalsContact OG1-N 3.09Å; K522-W526 PolarHBondContact O-N 3.09Å; K522-E583 HydrophobicContact CB-CB 3.95Å; K522-E583 WeakPolarHBondContact CD-O 3.25Å; K522-E583 WeakPolarHBondContact CG-O 3.42Å; K522-R586 HydrophobicContact CD-CB 4.32Å; K522-R586 PolarHBondContact NZ-O 3.18Å; K522-R586 WeakPolarHBondContact O-CD 3.08Å; K522-R586 PolarHBondContact O-NH1 3.16Å; K522-P587 PolarHBondContact NZ-O 3.17Å
523	S	96.1	Very high	94.4	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-71.5	-34.6	166.1	64.7	0	0	0	0	111.3	S510 F519 T520 W526 S527	S510-S523 WeakPolarHBondContact OG-CB 3.38Å; F519-S523 WeakPolarHBondContact CA-OG 3.5Å; T520-S523 PolarHBondContact N-OG 2.97Å; T520-S523 PolarHBondContact O-N 3.32Å; T520-S523 VanDerWaalsContact O-N 3.09Å; T520-S523 PolarHBondContact O-OG 3.03Å; T520-S523 PolarHBondContact OG1-N 3.16Å; S523-W526 WeakPolarHBondContact O-CB 3.45Å; S523-W526 PolarHBondContact O-N 3.15Å; S523-S527 PolarHBondContact O-N 3.32Å; S523-S527 VanDerWaalsContact O-N 3.15Å; S523-S527 PolarHBondContact O-OG 3.02Å
524	D	97.3	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-34.6	173.6	-63.3	-24.9	0	0	0	112.2	M454 I463 H464 R465 T520 I521 W526 S527 F528 F589	M454-D524 HydrophobicContact CE-CB 3.69Å; I463-D524 WeakPolarHBondContact CA-OD2 3.49Å; I463-D524 VanDerWaalsContact CG2-OD2 3.26Å; I463-D524 WeakPolarHBondContact CG2-OD2 3.46Å; H464-D524 PolarHBondContact N-OD2 3.27Å; R465-D524 WeakPolarHBondContact CA-OD1 3.12Å; R465-D524 PolarHBondContact N-OD1 3.06Å; T520-D524 PolarHBondContact O-N 3.02Å; I521-D524 HydrophobicContact CD1-CB 4.38Å; I521-D524 WeakPolarHBondContact O-CB 3.21Å; I521-D524 PolarHBondContact O-N 3.31Å; D524-W526 VanDerWaalsContact C-N 3.31Å; D524-W526 PolarHBondContact O-N 2.82Å; D524-S527 CarbonylContact O-C 3.55Å; D524-S527 WeakPolarHBondContact O-CB 3.45Å; D524-S527 PolarHBondContact O-N 3.45Å; D524-F528 PolarHBondContact O-N 2.87Å; D524-F589 HydrophobicContact CB-CE2 3.96Å; D524-F589 HydrophobicContact CB-CZ 4.1Å
525	V	98.7	Very high	95.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-40.3	172.9	168.4	0	0	0	0	111.4	I521 F528 G529 C578 R586 P587 F589 I592	I521-V525 WeakPolarHBondContact O-CG2 3.5Å; I521-V525 PolarHBondContact O-N 3.08Å; V525-F528 WeakPolarHBondContact O-CB 3.36Å; V525-F528 PolarHBondContact O-N 2.85Å; V525-G529 PolarHBondContact O-N 3.33Å; V525-C578 HydrophobicContact CG1-CB 4.05Å; V525-C578 WeakPolarHBondContact O-CB 3.4Å; V525-R586 HydrophobicContact CG1-CB 3.85Å; V525-P587 HydrophobicContact CG1-CG 4.44Å; V525-F589 HydrophobicContact CB-CE2 4.42Å; V525-F589 HydrophobicContact CB-CZ 4.37Å; V525-F589 HydrophobicContact CG2-CD2 3.79Å; V525-F589 HydrophobicContact CG2-CE1 4.32Å; V525-F589 HydrophobicContact CG2-CE2 3.47Å; V525-F589 VanDerWaalsContact CG2-CE2 3.47Å; V525-F589 HydrophobicContact CG2-CG 4.34Å; V525-F589 HydrophobicContact CG2-CZ 3.77Å; V525-I592 HydrophobicContact CG1-CD1 3.84Å; V525-I592 HydrophobicContact CG2-CD1 4.13Å
526	W	98.6	Very high	95.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-48.8	172.1	176.1	-74	0	0	0	111.4	T509 P511 K522 S523 D524 F528 G529 I530 V555 C578 W579	T509-W526 PolarHBondContact O-NE1 3.18Å; T509-W526 VanDerWaalsContact O-NE1 3.12Å; P511-W526 HydrophobicContact CG-CE3 4.49Å; P511-W526 HydrophobicContact CG-CH2 3.79Å; P511-W526 HydrophobicContact CG-CZ2 4.31Å; P511-W526 HydrophobicContact CG-CZ3 3.87Å; K522-W526 PolarHBondContact O-N 3.09Å; S523-W526 WeakPolarHBondContact O-CB 3.45Å; S523-W526 PolarHBondContact O-N 3.15Å; D524-W526 VanDerWaalsContact C-N 3.31Å; D524-W526 PolarHBondContact O-N 2.82Å; W526-F528 PolarHBondContact O-N 3.37Å; W526-G529 WeakPolarHBondContact O-CA 3.43Å; W526-G529 PolarHBondContact O-N 3.13Å; W526-I530 PolarHBondContact O-N 3.33Å; W526-I530 VanDerWaalsContact O-N 3.1Å; W526-V555 HydrophobicContact CH2-CG1 3.53Å; W526-V555 HydrophobicContact CZ2-CG1 3.57Å; W526-C578 WeakPolarHBondContact CA-O 3.31Å; W526-W579 HydrophobicContact CD2-CB 4.49Å; W526-W579 AromaticContact CD2-CD1 3.76Å; W526-W579 HydrophobicContact CD2-CG 4.47Å; W526-W579 AromaticContact CE2-CD1 3.88Å; W526-W579 HydrophobicContact CE3-CB 4.02Å; W526-W579 HydrophobicContact CE3-CG 4.46Å; W526-W579 HydrophobicContact CH2-CB 4.03Å; W526-W579 HydrophobicContact CZ3-CB 3.78Å; W526-W579 HydrophobicContact CZ3-CG 4.5Å; W526-W579 VanDerWaalsContact CZ3-O 3.27Å; W526-W579 WeakPolarHBondContact CZ3-O 3.46Å; W526-W579 PolarHBondContact O-NE1 3.25Å
527	S	98.2	Very high	96.3	Very high	5 Å²	5	17 Å²	17	4%	0.035	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-34.6	177.2	-54	0	0	0	0	112.1	L467 W508 S523 D524 I530 L531	L467-S527 WeakPolarHBondContact O-CB 3.49Å; W508-S527 WeakPolarHBondContact O-CA 3.47Å; W508-S527 WeakPolarHBondContact O-CB 3.48Å; W508-S527 PolarHBondContact O-OG 3.28Å; S523-S527 PolarHBondContact O-N 3.32Å; S523-S527 VanDerWaalsContact O-N 3.15Å; S523-S527 PolarHBondContact O-OG 3.02Å; D524-S527 CarbonylContact O-C 3.55Å; D524-S527 WeakPolarHBondContact O-CB 3.45Å; D524-S527 PolarHBondContact O-N 3.45Å; S527-I530 PolarHBondContact O-N 3.08Å; S527-L531 WeakPolarHBondContact O-CB 3.46Å; S527-L531 PolarHBondContact O-N 2.68Å
528	F	98.8	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65	-41.5	172.1	-173.9	-90.4	0	0	0	112.3	I450 A451 L467 D524 V525 W526 I530 L531 L532 F589 I592 L596	I450-F528 HydrophobicContact CB-CE2 4.21Å; I450-F528 HydrophobicContact CG2-CD2 4.29Å; I450-F528 HydrophobicContact CG2-CE2 3.93Å; A451-F528 HydrophobicContact CB-CE2 3.99Å; A451-F528 HydrophobicContact CB-CZ 3.8Å; L467-F528 HydrophobicContact CD2-CB 3.88Å; L467-F528 HydrophobicContact CD2-CD2 4.06Å; L467-F528 HydrophobicContact CD2-CG 4.5Å; D524-F528 PolarHBondContact O-N 2.87Å; V525-F528 WeakPolarHBondContact O-CB 3.36Å; V525-F528 PolarHBondContact O-N 2.85Å; W526-F528 PolarHBondContact O-N 3.37Å; F528-I530 VanDerWaalsContact C-N 3.27Å; F528-I530 PolarHBondContact O-N 3.45Å; F528-L531 HydrophobicContact CD2-CD2 4.21Å; F528-L531 HydrophobicContact CE2-CD2 4.49Å; F528-L531 CarbonylContact O-C 3.58Å; F528-L531 WeakPolarHBondContact O-CB 3.5Å; F528-L531 PolarHBondContact O-N 3.36Å; F528-L531 VanDerWaalsContact O-N 3.12Å; F528-L532 HydrophobicContact CD1-CD1 4.03Å; F528-L532 HydrophobicContact CD1-CD2 4.45Å; F528-L532 HydrophobicContact CD1-CG 3.96Å; F528-L532 HydrophobicContact CE1-CD1 3.65Å; F528-L532 HydrophobicContact CE1-CD2 3.6Å; F528-L532 HydrophobicContact CE1-CG 3.56Å; F528-L532 HydrophobicContact CZ-CD2 3.79Å; F528-L532 HydrophobicContact CZ-CG 4.2Å; F528-L532 WeakPolarHBondContact O-CG 3.45Å; F528-L532 PolarHBondContact O-N 3.24Å; F528-F589 HydrophobicContact CB-CE1 3.63Å; F528-F589 HydrophobicContact CB-CZ 3.98Å; F528-F589 HydrophobicContact CD1-CE1 4.47Å; F528-F589 AromaticContact CD2-CE1 3.87Å; F528-F589 HydrophobicContact CD2-CE1 3.87Å; F528-F589 AromaticContact CG-CE1 3.73Å; F528-F589 HydrophobicContact CG-CE1 3.73Å; F528-I592 HydrophobicContact CD1-CD1 4.35Å; F528-I592 HydrophobicContact CD1-CG2 3.83Å; F528-I592 HydrophobicContact CE1-CG2 3.31Å; F528-I592 HydrophobicContact CZ-CG2 3.9Å; F528-L596 HydrophobicContact CE1-CD1 4Å; F528-L596 HydrophobicContact CZ-CD1 3.74Å
529	G	98.7	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.5	-39.9	172.1	0	0	0	0	0	112.4	V525 W526 L532 T533 W579	V525-G529 PolarHBondContact O-N 3.33Å; W526-G529 WeakPolarHBondContact O-CA 3.43Å; W526-G529 PolarHBondContact O-N 3.13Å; G529-L532 PolarHBondContact O-N 2.97Å; G529-T533 PolarHBondContact O-N 3.26Å; G529-W579 VanDerWaalsContact O-CZ2 3.28Å; G529-W579 WeakPolarHBondContact O-CZ2 3.27Å
530	I	98.6	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67	-43.4	173.5	-56.4	-67.1	0	0	0	111	W508 W526 S527 F528 L532 T533 E534 P542 Y543 M561 W579	W508-I530 VanDerWaalsContact CD1-CG2 3.44Å; W508-I530 HydrophobicContact CD2-CG2 4.34Å; W508-I530 HydrophobicContact CG-CB 4.49Å; W508-I530 HydrophobicContact CG-CG2 3.9Å; W526-I530 PolarHBondContact O-N 3.33Å; W526-I530 VanDerWaalsContact O-N 3.1Å; S527-I530 PolarHBondContact O-N 3.08Å; F528-I530 VanDerWaalsContact C-N 3.27Å; F528-I530 PolarHBondContact O-N 3.45Å; I530-L532 VanDerWaalsContact C-N 3.31Å; I530-L532 PolarHBondContact O-N 2.86Å; I530-T533 WeakPolarHBondContact O-CA 3.41Å; I530-T533 WeakPolarHBondContact O-CB 3.3Å; I530-T533 PolarHBondContact O-N 3.46Å; I530-T533 PolarHBondContact O-OG1 2.92Å; I530-E534 PolarHBondContact O-N 3.12Å; I530-E534 VanDerWaalsContact O-N 3.11Å; I530-P542 HydrophobicContact CG2-CB 3.84Å; I530-P542 HydrophobicContact CG2-CG 3.43Å; I530-P542 VanDerWaalsContact CG2-CG 3.43Å; I530-Y543 HydrophobicContact CD1-CE2 3.87Å; I530-M561 HydrophobicContact CD1-CE 3.48Å; I530-M561 VanDerWaalsContact CD1-CE 3.48Å; I530-W579 HydrophobicContact CD1-CZ2 3.85Å
531	L	98.7	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-38.4	175.1	169.7	61.3	0	0	0	112.6	L426 I450 L467 A469 V472 S527 F528 T533 E534 I535	L426-L531 HydrophobicContact CD2-CD1 4.31Å; I450-L531 HydrophobicContact CD1-CD2 4.31Å; I450-L531 HydrophobicContact CG2-CD2 3.83Å; L467-L531 HydrophobicContact CD1-CD2 4.21Å; L467-L531 HydrophobicContact CD2-CD2 4.48Å; L467-L531 HydrophobicContact CG-CD2 4.11Å; A469-L531 HydrophobicContact CB-CD1 3.76Å; V472-L531 HydrophobicContact CG2-CD2 4.32Å; S527-L531 WeakPolarHBondContact O-CB 3.46Å; S527-L531 PolarHBondContact O-N 2.68Å; F528-L531 HydrophobicContact CD2-CD2 4.21Å; F528-L531 HydrophobicContact CE2-CD2 4.49Å; F528-L531 CarbonylContact O-C 3.58Å; F528-L531 WeakPolarHBondContact O-CB 3.5Å; F528-L531 PolarHBondContact O-N 3.36Å; F528-L531 VanDerWaalsContact O-N 3.12Å; L531-T533 PolarHBondContact O-N 2.99Å; L531-E534 WeakPolarHBondContact O-CB 3.35Å; L531-E534 PolarHBondContact O-N 3.38Å; L531-E534 VanDerWaalsContact O-N 3.13Å; L531-I535 HydrophobicContact CD1-CD1 3.94Å; L531-I535 HydrophobicContact CD1-CG1 4.06Å; L531-I535 HydrophobicContact CG-CD1 3.93Å; L531-I535 HydrophobicContact CG-CG1 4.48Å; L531-I535 WeakPolarHBondContact O-CG1 3.4Å; L531-I535 PolarHBondContact O-N 3.11Å
532	L	98.6	Very high	97.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-57.8	-38.5	172.4	-68.8	177.8	0	0	0	111.2	A447 F528 G529 I530 I535 V536 L571 M575	A447-L532 HydrophobicContact CB-CD2 3.58Å; F528-L532 HydrophobicContact CD1-CD1 4.03Å; F528-L532 HydrophobicContact CD1-CD2 4.45Å; F528-L532 HydrophobicContact CD1-CG 3.96Å; F528-L532 HydrophobicContact CE1-CD1 3.65Å; F528-L532 HydrophobicContact CE1-CD2 3.6Å; F528-L532 HydrophobicContact CE1-CG 3.56Å; F528-L532 HydrophobicContact CZ-CD2 3.79Å; F528-L532 HydrophobicContact CZ-CG 4.2Å; F528-L532 WeakPolarHBondContact O-CG 3.45Å; F528-L532 PolarHBondContact O-N 3.24Å; G529-L532 PolarHBondContact O-N 2.97Å; I530-L532 VanDerWaalsContact C-N 3.31Å; I530-L532 PolarHBondContact O-N 2.86Å; L532-I535 PolarHBondContact O-N 2.78Å; L532-V536 WeakPolarHBondContact O-CG2 3.38Å; L532-V536 PolarHBondContact O-N 3.18Å; L532-L571 HydrophobicContact CD1-CD1 4.2Å; L532-L571 HydrophobicContact CD2-CD1 4.39Å; L532-M575 HydrophobicContact CB-CE 3.65Å; L532-M575 HydrophobicContact CB-CG 3.96Å; L532-M575 HydrophobicContact CB-SD 4.49Å; L532-M575 HydrophobicContact CD1-CG 3.98Å
533	T	98.4	Very high	97.8	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-67	-39.6	174.6	68.2	0	0	0	0	112.7	G529 I530 L531 I535 T537 M561 M575 W579	G529-T533 PolarHBondContact O-N 3.26Å; I530-T533 WeakPolarHBondContact O-CA 3.41Å; I530-T533 WeakPolarHBondContact O-CB 3.3Å; I530-T533 PolarHBondContact O-N 3.46Å; I530-T533 PolarHBondContact O-OG1 2.92Å; L531-T533 PolarHBondContact O-N 2.99Å; T533-I535 VanDerWaalsContact C-N 3.31Å; T533-I535 PolarHBondContact O-N 3.5Å; T533-T537 VanDerWaalsContact O-CB 3.3Å; T533-T537 WeakPolarHBondContact O-CB 3.37Å; T533-T537 VanDerWaalsContact O-CG2 3.28Å; T533-T537 WeakPolarHBondContact O-CG2 3.45Å; T533-T537 PolarHBondContact O-N 3.43Å; T533-T537 VanDerWaalsContact O-N 3.13Å; T533-T537 PolarHBondContact O-OG1 3.2Å; T533-M561 HydrophobicContact CG2-CE 3.91Å; T533-M575 HydrophobicContact CG2-CE 4.34Å; T533-M575 HydrophobicContact CG2-SD 3.72Å; T533-W579 HydrophobicContact CG2-CH2 3.48Å; T533-W579 VanDerWaalsContact CG2-CH2 3.48Å; T533-W579 HydrophobicContact CG2-CZ2 3.62Å
534	E	98.5	Very high	97.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-45.6	173.4	-63.8	-179.1	97.9	0	0	110.4	A469 W508 I530 L531 T537 Y538 G539 P542	A469-E534 HydrophobicContact CB-CB 3.98Å; A469-E534 VanDerWaalsContact CB-CD 3.5Å; A469-E534 HydrophobicContact CB-CG 4.38Å; A469-E534 WeakPolarHBondContact CB-OE1 3.45Å; A469-E534 PolarHBondContact N-OE2 2.84Å; W508-E534 HydrophobicContact CZ2-CG 4.48Å; W508-E534 WeakPolarHBondContact CZ2-OE1 3.44Å; W508-E534 PolarHBondContact NE1-OE2 3.42Å; I530-E534 PolarHBondContact O-N 3.12Å; I530-E534 VanDerWaalsContact O-N 3.11Å; L531-E534 WeakPolarHBondContact O-CB 3.35Å; L531-E534 PolarHBondContact O-N 3.38Å; L531-E534 VanDerWaalsContact O-N 3.13Å; E534-T537 PolarHBondContact O-N 2.79Å; E534-Y538 PolarHBondContact O-N 3.28Å; E534-G539 PolarHBondContact O-N 2.84Å; E534-P542 HydrophobicContact CG-CG 4.2Å
535	I	98.3	Very high	97.6	Very high	3 Å²	3	27 Å²	27	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-57.4	-179.9	-71.2	169.9	0	0	0	111.3	L426 L430 L443 A447 I450 L531 L532 T533 T537 Y538	L426-I535 HydrophobicContact CD2-CD1 4.21Å; L426-I535 HydrophobicContact CD2-CG1 4.06Å; L430-I535 HydrophobicContact CD1-CG1 4.43Å; L443-I535 HydrophobicContact CB-CG2 3.75Å; L443-I535 HydrophobicContact CD2-CG2 4.05Å; L443-I535 HydrophobicContact CG-CG2 4.39Å; A447-I535 HydrophobicContact CB-CD1 4Å; I450-I535 HydrophobicContact CD1-CD1 4Å; L531-I535 HydrophobicContact CD1-CD1 3.94Å; L531-I535 HydrophobicContact CD1-CG1 4.06Å; L531-I535 HydrophobicContact CG-CD1 3.93Å; L531-I535 HydrophobicContact CG-CG1 4.48Å; L531-I535 WeakPolarHBondContact O-CG1 3.4Å; L531-I535 PolarHBondContact O-N 3.11Å; L532-I535 PolarHBondContact O-N 2.78Å; T533-I535 VanDerWaalsContact C-N 3.31Å; T533-I535 PolarHBondContact O-N 3.5Å; I535-T537 PolarHBondContact O-N 3.26Å; I535-Y538 PolarHBondContact O-N 3.47Å
536	V	97.4	Very high	97.4	Very high	7 Å²	7	29 Å²	29	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-73.1	-8.6	-176.2	-53.7	0	0	0	0	114.2	M440 L532 P564 C567 L571 M575	M440-V536 HydrophobicContact CE-CB 4.3Å; M440-V536 HydrophobicContact CE-CG1 4.43Å; M440-V536 HydrophobicContact SD-CB 4.44Å; M440-V536 HydrophobicContact SD-CG1 3.94Å; L532-V536 WeakPolarHBondContact O-CG2 3.38Å; L532-V536 PolarHBondContact O-N 3.18Å; V536-P564 HydrophobicContact CG2-CB 4.05Å; V536-P564 HydrophobicContact CG2-CG 3.88Å; V536-C567 HydrophobicContact CG2-CB 4.26Å; V536-L571 HydrophobicContact CG1-CD2 3.67Å; V536-M575 HydrophobicContact CG1-CE 4.29Å; V536-M575 HydrophobicContact CG2-CE 3.89Å
537	T	97.5	Very high	97	Very high	27 Å²	27	34.7 Å²	34.7	17%	0.166	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	10	176.2	65.2	0	0	0	0	113.9	T533 E534 I535 G539 R540 P564	T533-T537 VanDerWaalsContact O-CB 3.3Å; T533-T537 WeakPolarHBondContact O-CB 3.37Å; T533-T537 VanDerWaalsContact O-CG2 3.28Å; T533-T537 WeakPolarHBondContact O-CG2 3.45Å; T533-T537 PolarHBondContact O-N 3.43Å; T533-T537 VanDerWaalsContact O-N 3.13Å; T533-T537 PolarHBondContact O-OG1 3.2Å; E534-T537 PolarHBondContact O-N 2.79Å; I535-T537 PolarHBondContact O-N 3.26Å; T537-G539 PolarHBondContact O-N 3.34Å; T537-R540 WeakPolarHBondContact O-CG 3.12Å; T537-P564 HydrophobicContact CG2-CB 3.75Å; T537-P564 HydrophobicContact CG2-CG 4.04Å
538	Y	97.8	Very high	96.6	Very high	67 Å²	67	38 Å²	38	26%	0.263	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	44.7	-179.8	-55	-94.2	0	0	0	112.8	Q431 G435 L438 L443 E534 I535	Q431-Y538 WeakPolarHBondContact CG-O 3.36Å; G435-Y538 WeakPolarHBondContact O-CD1 3.39Å; G435-Y538 WeakPolarHBondContact O-CE1 3.48Å; L438-Y538 PolarHBondContact O-OH 3.07Å; L438-Y538 VanDerWaalsContact O-OH 3.07Å; L443-Y538 HydrophobicContact CD1-CE1 3.94Å; L443-Y538 HydrophobicContact CD1-CE2 4.36Å; E534-Y538 PolarHBondContact O-N 3.28Å; I535-Y538 PolarHBondContact O-N 3.47Å
539	G	97.1	Very high	96.2	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	78	27	174.7	0	0	0	0	0	114.9	L427 Q431 E534 T537	L427-G539 WeakPolarHBondContact CD1-O 3.4Å; Q431-G539 PolarHBondContact NE2-O 3.44Å; E534-G539 PolarHBondContact O-N 2.84Å; T537-G539 PolarHBondContact O-N 3.34Å
540	R	96.7	Very high	96	Very high	177 Å²	177	42 Å²	42	67%	0.668	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-69.8	144.3	170.9	-69	177	-168.5	-174	0.2	110.5	T537	T537-R540 WeakPolarHBondContact O-CG 3.12Å
541	S	95.1	Very high	95.8	Very high	56 Å²	56	42.2 Å²	42.2	39%	0.392	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-59.5	128.1	174.7	-168.8	0	0	0	0	110.5
542	P	97.2	Very high	95.4	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.026	25%	0.254	C	S	.	.	S	Bend	trans	-57.2	155.1	174.3	-24.2	33.5	0	0	0	111.7	K507 W508 I530 E534 M561	K507-P542 HydrophobicContact CB-CB 4.32Å; K507-P542 VanDerWaalsContact CD-O 3.28Å; K507-P542 WeakPolarHBondContact CD-O 3.46Å; K507-P542 WeakPolarHBondContact CE-O 3.3Å; K507-P542 PolarHBondContact NZ-O 3.25Å; W508-P542 HydrophobicContact CH2-CG 4.28Å; W508-P542 HydrophobicContact CZ2-CG 3.74Å; I530-P542 HydrophobicContact CG2-CB 3.84Å; I530-P542 HydrophobicContact CG2-CG 3.43Å; I530-P542 VanDerWaalsContact CG2-CG 3.43Å; E534-P542 HydrophobicContact CG-CG 4.2Å; P542-M561 HydrophobicContact CB-CE 4.07Å; P542-M561 HydrophobicContact CB-SD 4.03Å
543	Y	96.9	Very high	95.2	Very high	3 Å²	3	52 Å²	52	1%	0.012	28%	0.283	C	S	.	.	S	Bend	trans	47	62	-177.3	-53.6	-88.8	0	0	0	112.2	K507 I530 G545 M546 V551 V555 Y559 M561	K507-Y543 HydrophobicContact CB-CD2 4.23Å; K507-Y543 HydrophobicContact CG-CD2 4.25Å; K507-Y543 PolarHBondContact NZ-O 3.29Å; K507-Y543 VanDerWaalsContact NZ-O 3.13Å; I530-Y543 HydrophobicContact CD1-CE2 3.87Å; Y543-G545 PolarHBondContact O-N 3.25Å; Y543-M546 HydrophobicContact CD1-SD 4.12Å; Y543-M546 PolarHBondContact O-N 3.12Å; Y543-M546 VanDerWaalsContact O-N 3.1Å; Y543-V551 HydrophobicContact CD1-CG1 4.13Å; Y543-V551 HydrophobicContact CD1-CG2 4.39Å; Y543-V551 HydrophobicContact CD2-CG1 3.67Å; Y543-V551 HydrophobicContact CD2-CG2 4.2Å; Y543-V551 HydrophobicContact CE1-CG1 4.24Å; Y543-V551 HydrophobicContact CE2-CG1 3.78Å; Y543-V551 HydrophobicContact CG-CG1 3.87Å; Y543-V551 HydrophobicContact CG-CG2 3.83Å; Y543-V555 HydrophobicContact CE1-CG2 3.76Å; Y543-V555 WeakPolarHBondContact OH-CG2 3.42Å; Y543-Y559 HydrophobicContact CD1-CD1 4.28Å; Y543-Y559 AromaticContact CD1-CE1 3.85Å; Y543-Y559 HydrophobicContact CD1-CE1 3.85Å; Y543-Y559 HydrophobicContact CE1-CD1 4.02Å; Y543-Y559 AromaticContact CE1-CE1 3.89Å; Y543-Y559 HydrophobicContact CE1-CE1 3.89Å; Y543-M561 HydrophobicContact CD1-CG 3.68Å; Y543-M561 HydrophobicContact CD1-SD 4.28Å; Y543-M561 HydrophobicContact CD2-CE 4.29Å; Y543-M561 HydrophobicContact CD2-CG 4.5Å; Y543-M561 HydrophobicContact CD2-SD 4.1Å; Y543-M561 HydrophobicContact CE1-CG 3.63Å; Y543-M561 HydrophobicContact CE1-SD 4.41Å; Y543-M561 HydrophobicContact CE2-CE 3.88Å; Y543-M561 HydrophobicContact CE2-CG 4.47Å; Y543-M561 HydrophobicContact CE2-SD 4.24Å; Y543-M561 HydrophobicContact CG-CG 4.12Å; Y543-M561 HydrophobicContact CG-SD 4.11Å; Y543-M561 PolarHBondContact N-SD 3.45Å
544	P	94.8	Very high	95.1	Very high	110 Å²	110	54.8 Å²	54.8	71%	0.714	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	134.8	-176	24.9	-34.6	0	0	0	111	M546	P544-M546 VanDerWaalsContact C-N 3.26Å; P544-M546 PolarHBondContact O-N 3.01Å
545	G	94.5	Very high	94.9	Very high	92 Å²	92	55.2 Å²	55.2	95%	0.948	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-13.6	-175.9	0	0	0	0	0	115.7	Y543	Y543-G545 PolarHBondContact O-N 3.25Å
546	M	94.2	Very high	94.6	Very high	43 Å²	43	59 Å²	59	21%	0.212	32%	0.319	C	S	.	.			trans	-91.9	135.2	176.9	-65	-177.5	157.7	0	0	112.4	K507 Y543 P544 E550 V551 Q554 Y559	K507-M546 VanDerWaalsContact CE-O 3.3Å; K507-M546 WeakPolarHBondContact CE-O 3.26Å; K507-M546 PolarHBondContact NZ-O 2.86Å; Y543-M546 HydrophobicContact CD1-SD 4.12Å; Y543-M546 PolarHBondContact O-N 3.12Å; Y543-M546 VanDerWaalsContact O-N 3.1Å; P544-M546 VanDerWaalsContact C-N 3.26Å; P544-M546 PolarHBondContact O-N 3.01Å; M546-E550 HydrophobicContact CB-CB 4.32Å; M546-E550 HydrophobicContact CB-CG 4.22Å; M546-E550 HydrophobicContact CE-CG 4.26Å; M546-E550 HydrophobicContact CG-CG 4.01Å; M546-E550 HydrophobicContact SD-CG 4.27Å; M546-V551 HydrophobicContact CB-CG2 3.56Å; M546-V551 HydrophobicContact SD-CG2 4.3Å; M546-Q554 HydrophobicContact CE-CB 4.32Å; M546-Q554 HydrophobicContact CE-CG 3.79Å; M546-Q554 HydrophobicContact SD-CG 4.49Å; M546-Y559 HydrophobicContact CE-CE1 4.41Å; M546-Y559 HydrophobicContact SD-CE1 4.5Å
547	H	91.3	Very high	94.5	Very high	121 Å²	121	62.7 Å²	62.7	56%	0.56	35%	0.35	S	S	*	.			trans	-82.9	159.4	168.9	61.8	80.5	0	0	0	111.4	A549 E550 V551	H547-A549 VanDerWaalsContact C-N 3.35Å; H547-A549 PolarHBondContact O-N 3.5Å; H547-E550 PolarHBondContact CE1-N 3.27Å; H547-E550 VanDerWaalsContact CE1-N 3.34Å; H547-E550 PolarHBondContact ND1-N 2.83Å; H547-E550 VanDerWaalsContact ND1-N 3.18Å; H547-E550 WeakPolarHBondContact O-CA 3.49Å; H547-E550 WeakPolarHBondContact O-CB 3.49Å; H547-E550 PolarHBondContact O-N 3.08Å; H547-V551 PolarHBondContact O-N 2.75Å
548	N	90.1	Very high	94.5	Very high	74 Å²	74	63.7 Å²	63.7	40%	0.396	37%	0.366	S	S	.	.	H	α-helix	trans	-52.2	-45.6	-172.7	-72.7	-0.1	0	0	0	114.3	I506 E550 V551 L552	I506-N548 HydrophobicContact CB-CB 3.98Å; I506-N548 HydrophobicContact CG1-CB 4.03Å; I506-N548 HydrophobicContact CG2-CB 4.01Å; N548-E550 VanDerWaalsContact C-N 3.28Å; N548-E550 PolarHBondContact O-N 3Å; N548-V551 PolarHBondContact O-N 3.16Å; N548-L552 PolarHBondContact O-N 3.49Å; N548-L552 VanDerWaalsContact O-N 3.11Å
549	A	90.2	Very high	94.5	Very high	53 Å²	53	64.6 Å²	64.6	44%	0.438	37%	0.369	S	S	.	.	H	α-helix	trans	-66.5	-25.3	177.1	0	0	0	0	0	113.8	H547 R553	H547-A549 VanDerWaalsContact C-N 3.35Å; H547-A549 PolarHBondContact O-N 3.5Å; A549-R553 WeakPolarHBondContact O-CG 3.46Å; A549-R553 PolarHBondContact O-N 2.73Å
550	E	94.3	Very high	94.5	Very high	33 Å²	33	66.5 Å²	66.5	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-74.4	-44.9	173	-177.6	61.3	-171.8	0	0	110.8	M546 H547 N548 L552 R553 Q554	M546-E550 HydrophobicContact CB-CB 4.32Å; M546-E550 HydrophobicContact CB-CG 4.22Å; M546-E550 HydrophobicContact CE-CG 4.26Å; M546-E550 HydrophobicContact CG-CG 4.01Å; M546-E550 HydrophobicContact SD-CG 4.27Å; H547-E550 PolarHBondContact CE1-N 3.27Å; H547-E550 VanDerWaalsContact CE1-N 3.34Å; H547-E550 PolarHBondContact ND1-N 2.83Å; H547-E550 VanDerWaalsContact ND1-N 3.18Å; H547-E550 WeakPolarHBondContact O-CA 3.49Å; H547-E550 WeakPolarHBondContact O-CB 3.49Å; H547-E550 PolarHBondContact O-N 3.08Å; N548-E550 VanDerWaalsContact C-N 3.28Å; N548-E550 PolarHBondContact O-N 3Å; E550-L552 VanDerWaalsContact C-N 3.31Å; E550-L552 PolarHBondContact O-N 2.78Å; E550-R553 PolarHBondContact O-N 3.26Å; E550-R553 IonicContact OE2-CZ 3.77Å; E550-R553 IonicContact OE2-NE 2.87Å; E550-R553 PolarHBondContact OE2-NE 2.87Å; E550-R553 IonicContact OE2-NH2 2.73Å; E550-R553 PolarHBondContact OE2-NH2 3.22Å; E550-Q554 HydrophobicContact CG-CG 4.04Å; E550-Q554 WeakPolarHBondContact O-CB 3.49Å; E550-Q554 VanDerWaalsContact O-CG 3.27Å; E550-Q554 WeakPolarHBondContact O-CG 3.4Å; E550-Q554 PolarHBondContact O-N 3.32Å; E550-Q554 VanDerWaalsContact OE1-CG 3.27Å; E550-Q554 WeakPolarHBondContact OE1-CG 3.49Å; E550-Q554 PolarHBondContact OE1-NE2 3.17Å
551	V	93.8	Very high	94.5	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-56.4	-46.2	177.9	177.9	0	0	0	0	110.8	K507 Y543 M546 H547 N548 Q554 V555	K507-V551 HydrophobicContact CG-CG1 4.47Å; K507-V551 HydrophobicContact CG-CG2 4.2Å; Y543-V551 HydrophobicContact CD1-CG1 4.13Å; Y543-V551 HydrophobicContact CD1-CG2 4.39Å; Y543-V551 HydrophobicContact CD2-CG1 3.67Å; Y543-V551 HydrophobicContact CD2-CG2 4.2Å; Y543-V551 HydrophobicContact CE1-CG1 4.24Å; Y543-V551 HydrophobicContact CE2-CG1 3.78Å; Y543-V551 HydrophobicContact CG-CG1 3.87Å; Y543-V551 HydrophobicContact CG-CG2 3.83Å; M546-V551 HydrophobicContact CB-CG2 3.56Å; M546-V551 HydrophobicContact SD-CG2 4.3Å; H547-V551 PolarHBondContact O-N 2.75Å; N548-V551 PolarHBondContact O-N 3.16Å; V551-Q554 PolarHBondContact O-N 3.03Å; V551-V555 HydrophobicContact CG1-CG2 4Å; V551-V555 WeakPolarHBondContact O-CB 3.47Å; V551-V555 WeakPolarHBondContact O-CG2 3.5Å; V551-V555 PolarHBondContact O-N 3.13Å
552	L	90.9	Very high	94.6	Very high	41 Å²	41	60.4 Å²	60.4	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-56.1	-56	175.8	-70.2	170.9	0	0	0	112	I506 A514 N548 E550 Q554 V555 D556	I506-L552 HydrophobicContact CD1-CD1 4.36Å; I506-L552 HydrophobicContact CG2-CD1 4.12Å; I506-L552 HydrophobicContact CG2-CD2 3.77Å; I506-L552 HydrophobicContact CG2-CG 3.63Å; A514-L552 HydrophobicContact CB-CD2 3.6Å; N548-L552 PolarHBondContact O-N 3.49Å; N548-L552 VanDerWaalsContact O-N 3.11Å; E550-L552 VanDerWaalsContact C-N 3.31Å; E550-L552 PolarHBondContact O-N 2.78Å; L552-Q554 VanDerWaalsContact C-N 3.34Å; L552-Q554 PolarHBondContact O-N 3.49Å; L552-V555 PolarHBondContact O-N 2.56Å; L552-D556 WeakPolarHBondContact O-CB 3.43Å; L552-D556 PolarHBondContact O-N 2.68Å
553	R	93.5	Very high	94.7	Very high	166 Å²	166	64.5 Å²	64.5	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-58.3	-44	-178.5	-67.9	-168.2	-51.7	148.4	-3.6	112.8	A549 E550 A557	A549-R553 WeakPolarHBondContact O-CG 3.46Å; A549-R553 PolarHBondContact O-N 2.73Å; E550-R553 PolarHBondContact O-N 3.26Å; E550-R553 IonicContact OE2-CZ 3.77Å; E550-R553 IonicContact OE2-NE 2.87Å; E550-R553 PolarHBondContact OE2-NE 2.87Å; E550-R553 IonicContact OE2-NH2 2.73Å; E550-R553 PolarHBondContact OE2-NH2 3.22Å; R553-A557 VanDerWaalsContact O-CB 3.29Å; R553-A557 WeakPolarHBondContact O-CB 3.47Å; R553-A557 PolarHBondContact O-N 3.49Å
554	Q	96.4	Very high	94.6	Very high	65 Å²	65	65 Å²	65	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-69.3	-45	-178	-70.1	-73.6	-3.4	0	0	111.2	M546 E550 V551 L552 D556 A557 G558 Y559	M546-Q554 HydrophobicContact CE-CB 4.32Å; M546-Q554 HydrophobicContact CE-CG 3.79Å; M546-Q554 HydrophobicContact SD-CG 4.49Å; E550-Q554 HydrophobicContact CG-CG 4.04Å; E550-Q554 WeakPolarHBondContact O-CB 3.49Å; E550-Q554 VanDerWaalsContact O-CG 3.27Å; E550-Q554 WeakPolarHBondContact O-CG 3.4Å; E550-Q554 PolarHBondContact O-N 3.32Å; E550-Q554 VanDerWaalsContact OE1-CG 3.27Å; E550-Q554 WeakPolarHBondContact OE1-CG 3.49Å; E550-Q554 PolarHBondContact OE1-NE2 3.17Å; V551-Q554 PolarHBondContact O-N 3.03Å; L552-Q554 VanDerWaalsContact C-N 3.34Å; L552-Q554 PolarHBondContact O-N 3.49Å; Q554-D556 PolarHBondContact O-N 3.12Å; Q554-A557 CarbonylContact O-C 3.44Å; Q554-A557 WeakPolarHBondContact O-CA 3.33Å; Q554-A557 WeakPolarHBondContact O-CB 3.4Å; Q554-A557 PolarHBondContact O-N 3.48Å; Q554-G558 PolarHBondContact O-N 3.15Å; Q554-Y559 HydrophobicContact CB-CD1 4.3Å; Q554-Y559 HydrophobicContact CB-CG 4.3Å; Q554-Y559 WeakPolarHBondContact O-CB 3.43Å; Q554-Y559 PolarHBondContact O-N 2.88Å
555	V	95.7	Very high	94.6	Very high	10 Å²	10	65.3 Å²	65.3	6%	0.061	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-40.2	179.5	167.6	0	0	0	0	111.6	P511 W526 Y543 V551 L552 G558 R560	P511-V555 HydrophobicContact CG-CG1 3.8Å; W526-V555 HydrophobicContact CH2-CG1 3.53Å; W526-V555 HydrophobicContact CZ2-CG1 3.57Å; Y543-V555 HydrophobicContact CE1-CG2 3.76Å; Y543-V555 WeakPolarHBondContact OH-CG2 3.42Å; V551-V555 HydrophobicContact CG1-CG2 4Å; V551-V555 WeakPolarHBondContact O-CB 3.47Å; V551-V555 WeakPolarHBondContact O-CG2 3.5Å; V551-V555 PolarHBondContact O-N 3.13Å; L552-V555 PolarHBondContact O-N 2.56Å; V555-G558 PolarHBondContact O-N 3.13Å; V555-G558 VanDerWaalsContact O-N 3.08Å; V555-R560 PolarHBondContact O-NH1 3.48Å
556	D	91.9	Very high	94.5	Very high	83 Å²	83	64.1 Å²	64.1	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-36.6	172.8	-77.8	-23.5	0	0	0	112	N515 L552 Q554 G558	N515-D556 VanDerWaalsContact ND2-CG 3.31Å; N515-D556 PolarHBondContact ND2-OD1 2.71Å; N515-D556 PolarHBondContact ND2-OD2 2.82Å; L552-D556 WeakPolarHBondContact O-CB 3.43Å; L552-D556 PolarHBondContact O-N 2.68Å; Q554-D556 PolarHBondContact O-N 3.12Å; D556-G558 PolarHBondContact O-N 3.42Å; D556-G558 VanDerWaalsContact O-N 3.17Å
557	A	95.4	Very high	94.5	Very high	84 Å²	84	62.2 Å²	62.2	69%	0.694	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	3.2	170.8	0	0	0	0	0	114.1	R553 Q554	R553-A557 VanDerWaalsContact O-CB 3.29Å; R553-A557 WeakPolarHBondContact O-CB 3.47Å; R553-A557 PolarHBondContact O-N 3.49Å; Q554-A557 CarbonylContact O-C 3.44Å; Q554-A557 WeakPolarHBondContact O-CA 3.33Å; Q554-A557 WeakPolarHBondContact O-CB 3.4Å; Q554-A557 PolarHBondContact O-N 3.48Å
558	G	96.1	Very high	94.7	Very high	48 Å²	48	57.4 Å²	57.4	50%	0.495	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-0.3	175.9	0	0	0	0	0	115.5	Q554 V555 D556	Q554-G558 PolarHBondContact O-N 3.15Å; V555-G558 PolarHBondContact O-N 3.13Å; V555-G558 VanDerWaalsContact O-N 3.08Å; D556-G558 PolarHBondContact O-N 3.42Å; D556-G558 VanDerWaalsContact O-N 3.17Å
559	Y	97.6	Very high	94.9	Very high	86 Å²	86	57 Å²	57	34%	0.337	34%	0.341	S	S	.	.			trans	-60.9	140.1	176.1	177.3	-95.7	0	0	0	111.6	Y543 M546 Q554	Y543-Y559 HydrophobicContact CD1-CD1 4.28Å; Y543-Y559 AromaticContact CD1-CE1 3.85Å; Y543-Y559 HydrophobicContact CD1-CE1 3.85Å; Y543-Y559 HydrophobicContact CE1-CD1 4.02Å; Y543-Y559 AromaticContact CE1-CE1 3.89Å; Y543-Y559 HydrophobicContact CE1-CE1 3.89Å; M546-Y559 HydrophobicContact CE-CE1 4.41Å; M546-Y559 HydrophobicContact SD-CE1 4.5Å; Q554-Y559 HydrophobicContact CB-CD1 4.3Å; Q554-Y559 HydrophobicContact CB-CG 4.3Å; Q554-Y559 WeakPolarHBondContact O-CB 3.43Å; Q554-Y559 PolarHBondContact O-N 2.88Å
560	R	97.8	Very high	95.1	Very high	44 Å²	44	59.2 Å²	59.2	17%	0.166	34%	0.342	C	S	.	.			trans	-131.4	150.8	170.2	-59.2	-61.8	178.9	-97.2	4.7	108.5	V555 L576 W579	V555-R560 PolarHBondContact O-NH1 3.48Å; R560-L576 HydrophobicContact CB-CD2 4.17Å; R560-L576 HydrophobicContact CG-CD2 4.48Å; R560-W579 HydrophobicContact CB-CE3 4.16Å; R560-W579 HydrophobicContact CG-CE3 4.48Å; R560-W579 PolarHBondContact NE-O 3.13Å; R560-W579 PolarHBondContact NH2-O 3.1Å
561	M	97.5	Very high	95.2	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.074	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-60.5	140.4	176.5	-70.3	-177.7	-78.6	0	0	110.1	I530 T533 P542 Y543 Y572 W579	I530-M561 HydrophobicContact CD1-CE 3.48Å; I530-M561 VanDerWaalsContact CD1-CE 3.48Å; T533-M561 HydrophobicContact CG2-CE 3.91Å; P542-M561 HydrophobicContact CB-CE 4.07Å; P542-M561 HydrophobicContact CB-SD 4.03Å; Y543-M561 HydrophobicContact CD1-CG 3.68Å; Y543-M561 HydrophobicContact CD1-SD 4.28Å; Y543-M561 HydrophobicContact CD2-CE 4.29Å; Y543-M561 HydrophobicContact CD2-CG 4.5Å; Y543-M561 HydrophobicContact CD2-SD 4.1Å; Y543-M561 HydrophobicContact CE1-CG 3.63Å; Y543-M561 HydrophobicContact CE1-SD 4.41Å; Y543-M561 HydrophobicContact CE2-CE 3.88Å; Y543-M561 HydrophobicContact CE2-CG 4.47Å; Y543-M561 HydrophobicContact CE2-SD 4.24Å; Y543-M561 HydrophobicContact CG-CG 4.12Å; Y543-M561 HydrophobicContact CG-SD 4.11Å; Y543-M561 PolarHBondContact N-SD 3.45Å; M561-Y572 WeakPolarHBondContact O-CE2 3.46Å; M561-Y572 PolarHBondContact O-OH 2.99Å; M561-Y572 VanDerWaalsContact O-OH 3.09Å; M561-W579 HydrophobicContact CB-CH2 4.35Å; M561-W579 HydrophobicContact CE-CH2 3.89Å; M561-W579 HydrophobicContact CE-CZ2 3.75Å
562	S	97.2	Very high	95.4	Very high	90 Å²	90	59.5 Å²	59.5	63%	0.629	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-69.1	158.6	174.9	51.7	0	0	0	0	111.9	P564	S562-P564 WeakPolarHBondContact O-CD 3.2Å
563	K	98	Very high	95.8	Very high	89 Å²	89	61.3 Å²	61.3	39%	0.387	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-56	121.7	179.3	-170.6	166.5	80.2	65.1	0	111.2	C567 Y572	K563-C567 HydrophobicContact CG-CB 4.11Å; K563-C567 PolarHBondContact NZ-O 3Å; K563-Y572 HydrophobicContact CB-CD1 3.77Å; K563-Y572 HydrophobicContact CB-CD2 3.76Å; K563-Y572 HydrophobicContact CB-CE1 3.85Å; K563-Y572 HydrophobicContact CB-CE2 3.85Å; K563-Y572 HydrophobicContact CB-CG 3.69Å; K563-Y572 HydrophobicContact CD-CD1 3.85Å; K563-Y572 HydrophobicContact CD-CG 3.76Å; K563-Y572 HydrophobicContact CG-CD1 3.95Å; K563-Y572 HydrophobicContact CG-CD2 3.87Å; K563-Y572 HydrophobicContact CG-CE2 4.48Å; K563-Y572 HydrophobicContact CG-CG 3.55Å; K563-Y572 VanDerWaalsContact N-CE2 3.29Å; K563-Y572 PolarHBondContact N-OH 3.25Å
564	P	96.1	Very high	96	Very high	13 Å²	13	53.5 Å²	53.5	8%	0.084	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-60.5	148.3	177.9	-25	34.9	0	0	0	112.6	V536 T537 S562 G566 C567	V536-P564 HydrophobicContact CG2-CB 4.05Å; V536-P564 HydrophobicContact CG2-CG 3.88Å; T537-P564 HydrophobicContact CG2-CB 3.75Å; T537-P564 HydrophobicContact CG2-CG 4.04Å; S562-P564 WeakPolarHBondContact O-CD 3.2Å; P564-G566 PolarHBondContact O-N 3.29Å; P564-C567 HydrophobicContact CB-CB 4.04Å; P564-C567 HydrophobicContact CG-CB 4.34Å; P564-C567 VanDerWaalsContact O-CB 3.28Å; P564-C567 WeakPolarHBondContact O-CB 3.33Å; P564-C567 PolarHBondContact O-N 2.91Å; P564-C567 VanDerWaalsContact O-N 3.15Å
565	P	94.2	Very high	96.1	Very high	118 Å²	118	50.4 Å²	50.4	77%	0.766	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	135.9	170.2	-23.6	34.3	0	0	0	110.9	C567	P565-C567 PolarHBondContact O-N 3.44Å
566	G	91.7	Very high	96.2	Very high	66 Å²	66	53 Å²	53	68%	0.68	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-14.9	-177.2	0	0	0	0	0	115.8	P564	P564-G566 PolarHBondContact O-N 3.29Å
567	C	95.4	Very high	96.5	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.02	32%	0.316	C	S	.	.			trans	-66.6	129.6	176.4	-176.2	0	0	0	0	111.1	V536 K563 P564 P565	V536-C567 HydrophobicContact CG2-CB 4.26Å; K563-C567 HydrophobicContact CG-CB 4.11Å; K563-C567 PolarHBondContact NZ-O 3Å; P564-C567 HydrophobicContact CB-CB 4.04Å; P564-C567 HydrophobicContact CG-CB 4.34Å; P564-C567 VanDerWaalsContact O-CB 3.28Å; P564-C567 WeakPolarHBondContact O-CB 3.33Å; P564-C567 PolarHBondContact O-N 2.91Å; P564-C567 VanDerWaalsContact O-N 3.15Å; P565-C567 PolarHBondContact O-N 3.44Å
568	P	94.6	Very high	96.7	Very high	20 Å²	20	48.4 Å²	48.4	13%	0.13	28%	0.283	C	S	.	.			trans	-57.7	147.8	170.5	-25.3	34.8	0	0	0	112.6	M440 L571 Y572 F599	M440-P568 HydrophobicContact CG-CG 4.11Å; M440-P568 HydrophobicContact SD-CG 4.48Å; P568-L571 HydrophobicContact CB-CB 4.26Å; P568-Y572 PolarHBondContact O-N 3.05Å; P568-F599 HydrophobicContact CB-CE1 4.31Å; P568-F599 HydrophobicContact CB-CE2 3.79Å; P568-F599 HydrophobicContact CB-CZ 3.35Å; P568-F599 HydrophobicContact CG-CE1 4Å; P568-F599 HydrophobicContact CG-CE2 4.35Å; P568-F599 HydrophobicContact CG-CZ 3.51Å
569	P	95.5	Very high	96.8	Very high	67 Å²	67	46.2 Å²	46.2	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-47.3	177.6	-24.2	34.5	0	0	0	113.6	L571 Y572 D573	P569-L571 VanDerWaalsContact C-N 3.31Å; P569-L571 PolarHBondContact O-N 3.1Å; P569-Y572 CarbonylContact O-C 3.55Å; P569-Y572 WeakPolarHBondContact O-CA 3.28Å; P569-Y572 WeakPolarHBondContact O-CB 3.44Å; P569-Y572 PolarHBondContact O-N 3.13Å; P569-D573 PolarHBondContact O-N 3.37Å
570	E	93.8	Very high	96.8	Very high	99 Å²	99	43.1 Å²	43.1	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-70.4	-31.4	-171.3	-50.8	69.3	-156.5	0	0	111.5	L574 F599	E570-L574 PolarHBondContact O-N 3.12Å; E570-L574 VanDerWaalsContact O-N 3.12Å; E570-F599 HydrophobicContact CB-CD2 4.35Å; E570-F599 HydrophobicContact CB-CE2 4.05Å
571	L	96.5	Very high	96.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-69.6	-35	171.2	-179.4	61.2	0	0	0	111.6	I444 L532 V536 P568 P569 L574 M575 L596	I444-L571 HydrophobicContact CD1-CD2 3.9Å; I444-L571 HydrophobicContact CG1-CD2 3.89Å; L532-L571 HydrophobicContact CD1-CD1 4.2Å; L532-L571 HydrophobicContact CD2-CD1 4.39Å; V536-L571 HydrophobicContact CG1-CD2 3.67Å; P568-L571 HydrophobicContact CB-CB 4.26Å; P569-L571 VanDerWaalsContact C-N 3.31Å; P569-L571 PolarHBondContact O-N 3.1Å; L571-L574 HydrophobicContact CD1-CD2 4.5Å; L571-L574 WeakPolarHBondContact O-CB 3.48Å; L571-L574 PolarHBondContact O-N 3Å; L571-M575 HydrophobicContact CD2-CE 4.49Å; L571-M575 HydrophobicContact CG-CE 4.14Å; L571-M575 WeakPolarHBondContact O-CG 3.3Å; L571-M575 PolarHBondContact O-N 3.42Å; L571-M575 VanDerWaalsContact O-N 3.13Å; L571-L596 HydrophobicContact CD1-CD2 3.6Å
572	Y	98	Very high	96.7	Very high	39 Å²	39	47.2 Å²	47.2	15%	0.153	29%	0.288	C	S	.	.	H	α-helix	trans	-73.9	-36.3	174.7	175.1	-106.5	0	0	0	112.3	M561 K563 P568 P569 L574 M575 L576	M561-Y572 WeakPolarHBondContact O-CE2 3.46Å; M561-Y572 PolarHBondContact O-OH 2.99Å; M561-Y572 VanDerWaalsContact O-OH 3.09Å; K563-Y572 HydrophobicContact CB-CD1 3.77Å; K563-Y572 HydrophobicContact CB-CD2 3.76Å; K563-Y572 HydrophobicContact CB-CE1 3.85Å; K563-Y572 HydrophobicContact CB-CE2 3.85Å; K563-Y572 HydrophobicContact CB-CG 3.69Å; K563-Y572 HydrophobicContact CD-CD1 3.85Å; K563-Y572 HydrophobicContact CD-CG 3.76Å; K563-Y572 HydrophobicContact CG-CD1 3.95Å; K563-Y572 HydrophobicContact CG-CD2 3.87Å; K563-Y572 HydrophobicContact CG-CE2 4.48Å; K563-Y572 HydrophobicContact CG-CG 3.55Å; K563-Y572 VanDerWaalsContact N-CE2 3.29Å; K563-Y572 PolarHBondContact N-OH 3.25Å; P568-Y572 PolarHBondContact O-N 3.05Å; P569-Y572 CarbonylContact O-C 3.55Å; P569-Y572 WeakPolarHBondContact O-CA 3.28Å; P569-Y572 WeakPolarHBondContact O-CB 3.44Å; P569-Y572 PolarHBondContact O-N 3.13Å; Y572-L574 VanDerWaalsContact C-N 3.27Å; Y572-L574 PolarHBondContact O-N 3.46Å; Y572-M575 HydrophobicContact CD2-SD 4.03Å; Y572-M575 WeakPolarHBondContact O-CA 3.5Å; Y572-M575 WeakPolarHBondContact O-CB 3.28Å; Y572-M575 PolarHBondContact O-N 3.11Å; Y572-L576 HydrophobicContact CD1-CD1 4.07Å; Y572-L576 HydrophobicContact CD1-CG 4.39Å; Y572-L576 HydrophobicContact CE1-CD1 3.59Å; Y572-L576 HydrophobicContact CE1-CD2 4.38Å; Y572-L576 HydrophobicContact CE1-CG 3.99Å; Y572-L576 HydrophobicContact CE2-CD2 4.42Å; Y572-L576 HydrophobicContact CE2-CG 4.43Å; Y572-L576 PolarHBondContact O-N 2.62Å
573	D	97.8	Very high	96.7	Very high	78 Å²	78	44.5 Å²	44.5	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-40	171.4	-65.7	-26.8	0	0	0	110.8	P569 M575 L576 E577	P569-D573 PolarHBondContact O-N 3.37Å; D573-M575 VanDerWaalsContact C-N 3.34Å; D573-M575 PolarHBondContact O-N 3.37Å; D573-L576 WeakPolarHBondContact O-CB 3.28Å; D573-L576 PolarHBondContact O-N 2.88Å; D573-E577 WeakPolarHBondContact O-CG 3.29Å; D573-E577 PolarHBondContact O-N 3.37Å
574	L	98.2	Very high	96.6	Very high	3 Å²	3	46 Å²	46	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-36.8	171.3	-176.5	63	0	0	0	112.8	E570 L571 Y572 C578 P587 I592 R595 L596	E570-L574 PolarHBondContact O-N 3.12Å; E570-L574 VanDerWaalsContact O-N 3.12Å; L571-L574 HydrophobicContact CD1-CD2 4.5Å; L571-L574 WeakPolarHBondContact O-CB 3.48Å; L571-L574 PolarHBondContact O-N 3Å; Y572-L574 VanDerWaalsContact C-N 3.27Å; Y572-L574 PolarHBondContact O-N 3.46Å; L574-C578 PolarHBondContact O-N 2.92Å; L574-C578 PolarHBondContact O-SG 2.97Å; L574-P587 HydrophobicContact CD1-CG 4.42Å; L574-I592 HydrophobicContact CD1-CG1 4.29Å; L574-I592 HydrophobicContact CD2-CG2 4.46Å; L574-R595 HydrophobicContact CD2-CB 4.44Å; L574-L596 HydrophobicContact CD2-CD2 3.89Å; L574-L596 HydrophobicContact CD2-CG 4.02Å
575	M	98.6	Very high	96.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-44	171.8	-64.1	167.7	-171.1	0	0	111.5	L532 T533 V536 L571 Y572 D573 E577 C578 W579	L532-M575 HydrophobicContact CB-CE 3.65Å; L532-M575 HydrophobicContact CB-CG 3.96Å; L532-M575 HydrophobicContact CB-SD 4.49Å; L532-M575 HydrophobicContact CD1-CG 3.98Å; T533-M575 HydrophobicContact CG2-CE 4.34Å; T533-M575 HydrophobicContact CG2-SD 3.72Å; V536-M575 HydrophobicContact CG1-CE 4.29Å; V536-M575 HydrophobicContact CG2-CE 3.89Å; L571-M575 HydrophobicContact CD2-CE 4.49Å; L571-M575 HydrophobicContact CG-CE 4.14Å; L571-M575 WeakPolarHBondContact O-CG 3.3Å; L571-M575 PolarHBondContact O-N 3.42Å; L571-M575 VanDerWaalsContact O-N 3.13Å; Y572-M575 HydrophobicContact CD2-SD 4.03Å; Y572-M575 WeakPolarHBondContact O-CA 3.5Å; Y572-M575 WeakPolarHBondContact O-CB 3.28Å; Y572-M575 PolarHBondContact O-N 3.11Å; D573-M575 VanDerWaalsContact C-N 3.34Å; D573-M575 PolarHBondContact O-N 3.37Å; M575-E577 VanDerWaalsContact C-N 3.35Å; M575-E577 PolarHBondContact O-N 2.73Å; M575-C578 WeakPolarHBondContact O-CB 3.49Å; M575-C578 PolarHBondContact O-N 3.04Å; M575-W579 HydrophobicContact CB-CE3 4.28Å; M575-W579 HydrophobicContact CB-CH2 3.78Å; M575-W579 HydrophobicContact CB-CZ2 4.12Å; M575-W579 HydrophobicContact CB-CZ3 3.88Å; M575-W579 HydrophobicContact CG-CH2 4.38Å; M575-W579 VanDerWaalsContact O-CD2 3.25Å; M575-W579 PolarHBondContact O-N 2.62Å; M575-W579 HydrophobicContact SD-CH2 4.27Å
576	L	98.6	Very high	96.9	Very high	63 Å²	63	47.3 Å²	47.3	33%	0.33	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-41.1	177.7	-69.6	177.3	0	0	0	112	R560 Y572 D573 W579 A580	R560-L576 HydrophobicContact CB-CD2 4.17Å; R560-L576 HydrophobicContact CG-CD2 4.48Å; Y572-L576 HydrophobicContact CD1-CD1 4.07Å; Y572-L576 HydrophobicContact CD1-CG 4.39Å; Y572-L576 HydrophobicContact CE1-CD1 3.59Å; Y572-L576 HydrophobicContact CE1-CD2 4.38Å; Y572-L576 HydrophobicContact CE1-CG 3.99Å; Y572-L576 HydrophobicContact CE2-CD2 4.42Å; Y572-L576 HydrophobicContact CE2-CG 4.43Å; Y572-L576 PolarHBondContact O-N 2.62Å; D573-L576 WeakPolarHBondContact O-CB 3.28Å; D573-L576 PolarHBondContact O-N 2.88Å; L576-W579 HydrophobicContact CD2-CE3 4.27Å; L576-W579 HydrophobicContact CD2-CZ3 4.49Å; L576-W579 CarbonylContact O-C 3.38Å; L576-W579 PolarHBondContact O-N 3.01Å; L576-W579 VanDerWaalsContact O-N 3.16Å; L576-A580 PolarHBondContact O-N 2.74Å
577	E	98.5	Very high	97.2	Very high	71 Å²	71	44.9 Å²	44.9	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-42.7	172.1	-74.2	172.3	-137.9	0	0	112.1	D573 M575 W579 A580 R586 P587 R595	D573-E577 WeakPolarHBondContact O-CG 3.29Å; D573-E577 PolarHBondContact O-N 3.37Å; M575-E577 VanDerWaalsContact C-N 3.35Å; M575-E577 PolarHBondContact O-N 2.73Å; E577-W579 PolarHBondContact O-N 3.38Å; E577-A580 WeakPolarHBondContact O-CB 3.39Å; E577-A580 PolarHBondContact O-N 2.83Å; E577-R586 WeakPolarHBondContact O-CA 3.17Å; E577-P587 HydrophobicContact CB-CG 4.4Å; E577-R595 IonicContact OE1-CZ 3.34Å; E577-R595 IonicContact OE1-NH1 3.02Å; E577-R595 PolarHBondContact OE1-NH1 3.1Å; E577-R595 IonicContact OE1-NH2 3.01Å; E577-R595 IonicContact OE2-NH1 3.58Å; E577-R595 PolarHBondContact OE2-NH1 3.17Å
578	C	98.8	Very high	97.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-29.6	174.2	-67.6	0	0	0	0	112.6	V525 W526 L574 M575 R586	V525-C578 HydrophobicContact CG1-CB 4.05Å; V525-C578 WeakPolarHBondContact O-CB 3.4Å; W526-C578 WeakPolarHBondContact CA-O 3.31Å; L574-C578 PolarHBondContact O-N 2.92Å; L574-C578 PolarHBondContact O-SG 2.97Å; M575-C578 WeakPolarHBondContact O-CB 3.49Å; M575-C578 PolarHBondContact O-N 3.04Å; C578-R586 VanDerWaalsContact O-CD 3.26Å; C578-R586 WeakPolarHBondContact O-CD 3.46Å; C578-R586 WeakPolarHBondContact O-CG 3.35Å
579	W	98.6	Very high	97.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	19.7	177.1	-51.6	-40.5	0	0	0	114.8	W526 G529 I530 T533 R560 M561 M575 L576 E577 A581	W526-W579 HydrophobicContact CD2-CB 4.49Å; W526-W579 AromaticContact CD2-CD1 3.76Å; W526-W579 HydrophobicContact CD2-CG 4.47Å; W526-W579 AromaticContact CE2-CD1 3.88Å; W526-W579 HydrophobicContact CE3-CB 4.02Å; W526-W579 HydrophobicContact CE3-CG 4.46Å; W526-W579 HydrophobicContact CH2-CB 4.03Å; W526-W579 HydrophobicContact CZ3-CB 3.78Å; W526-W579 HydrophobicContact CZ3-CG 4.5Å; W526-W579 VanDerWaalsContact CZ3-O 3.27Å; W526-W579 WeakPolarHBondContact CZ3-O 3.46Å; W526-W579 PolarHBondContact O-NE1 3.25Å; G529-W579 VanDerWaalsContact O-CZ2 3.28Å; G529-W579 WeakPolarHBondContact O-CZ2 3.27Å; I530-W579 HydrophobicContact CD1-CZ2 3.85Å; T533-W579 HydrophobicContact CG2-CH2 3.48Å; T533-W579 VanDerWaalsContact CG2-CH2 3.48Å; T533-W579 HydrophobicContact CG2-CZ2 3.62Å; R560-W579 HydrophobicContact CB-CE3 4.16Å; R560-W579 HydrophobicContact CG-CE3 4.48Å; R560-W579 PolarHBondContact NE-O 3.13Å; R560-W579 PolarHBondContact NH2-O 3.1Å; M561-W579 HydrophobicContact CB-CH2 4.35Å; M561-W579 HydrophobicContact CE-CH2 3.89Å; M561-W579 HydrophobicContact CE-CZ2 3.75Å; M575-W579 HydrophobicContact CB-CE3 4.28Å; M575-W579 HydrophobicContact CB-CH2 3.78Å; M575-W579 HydrophobicContact CB-CZ2 4.12Å; M575-W579 HydrophobicContact CB-CZ3 3.88Å; M575-W579 HydrophobicContact CG-CH2 4.38Å; M575-W579 VanDerWaalsContact O-CD2 3.25Å; M575-W579 PolarHBondContact O-N 2.62Å; M575-W579 HydrophobicContact SD-CH2 4.27Å; L576-W579 HydrophobicContact CD2-CE3 4.27Å; L576-W579 HydrophobicContact CD2-CZ3 4.49Å; L576-W579 CarbonylContact O-C 3.38Å; L576-W579 PolarHBondContact O-N 3.01Å; L576-W579 VanDerWaalsContact O-N 3.16Å; E577-W579 PolarHBondContact O-N 3.38Å; W579-A581 PolarHBondContact O-N 2.86Å
580	A	98.3	Very high	97.6	Very high	22 Å²	22	44.8 Å²	44.8	18%	0.182	25%	0.247	C	C	.	.			trans	-54.4	133.2	172.2	0	0	0	0	0	110.5	L576 E577 D582 K585 R586	L576-A580 PolarHBondContact O-N 2.74Å; E577-A580 WeakPolarHBondContact O-CB 3.39Å; E577-A580 PolarHBondContact O-N 2.83Å; A580-D582 VanDerWaalsContact C-N 3.33Å; A580-D582 PolarHBondContact O-N 3.34Å; A580-K585 HydrophobicContact CB-CB 3.94Å; A580-R586 HydrophobicContact CB-CG 3.92Å; A580-R586 PolarHBondContact O-NE 3.43Å; A580-R586 PolarHBondContact O-NH2 2.85Å
581	A	96.2	Very high	97.8	Very high	80 Å²	80	43.1 Å²	43.1	66%	0.661	24%	0.244	S	C	*	.	S	Bend	trans	-62.6	-41.4	-177.6	0	0	0	0	0	111.7	W579	W579-A581 PolarHBondContact O-N 2.86Å
582	D	96.3	Very high	97.9	Very high	64 Å²	64	43 Å²	43	34%	0.342	24%	0.243	S	C	.	.	S	Bend	trans	-77.6	116.4	168.5	177.1	4	0	0	0	110	A580 N584 K585	A580-D582 VanDerWaalsContact C-N 3.33Å; A580-D582 PolarHBondContact O-N 3.34Å; D582-N584 PolarHBondContact O-N 2.92Å; D582-N584 VanDerWaalsContact O-N 3.16Å; D582-N584 WeakPolarHBondContact OD1-CB 3.43Å; D582-N584 PolarHBondContact OD1-N 3.47Å; D582-N584 PolarHBondContact OD1-ND2 3.16Å; D582-K585 HydrophobicContact CB-CB 4.48Å; D582-K585 HydrophobicContact CB-CD 4.01Å; D582-K585 HydrophobicContact CB-CG 4.07Å; D582-K585 PolarHBondContact O-N 3.41Å; D582-K585 VanDerWaalsContact O-N 3.08Å; D582-K585 VanDerWaalsContact OD2-CE 3.29Å; D582-K585 WeakPolarHBondContact OD2-CE 3.37Å
583	E	96.1	Very high	97.9	Very high	33 Å²	33	43 Å²	43	15%	0.154	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25	-179	73	-173.5	179.4	0	0	113.4	E512 R518 K522 K585 R586	E512-E583 WeakPolarHBondContact CG-OE2 3.17Å; R518-E583 IonicContact CZ-OE1 3.59Å; R518-E583 IonicContact CZ-OE2 3.53Å; R518-E583 IonicContact NE-OE1 3.49Å; R518-E583 IonicContact NE-OE2 2.74Å; R518-E583 PolarHBondContact NE-OE2 3.21Å; R518-E583 IonicContact NH2-OE1 2.78Å; R518-E583 PolarHBondContact NH2-OE1 3.34Å; R518-E583 IonicContact NH2-OE2 2.73Å; R518-E583 PolarHBondContact NH2-OE2 3.18Å; K522-E583 HydrophobicContact CB-CB 3.95Å; K522-E583 WeakPolarHBondContact CD-O 3.25Å; K522-E583 WeakPolarHBondContact CG-O 3.42Å; E583-K585 VanDerWaalsContact C-N 3.33Å; E583-R586 PolarHBondContact O-N 3.46Å
584	N	96.3	Very high	97.7	Very high	122 Å²	122	44.8 Å²	44.8	65%	0.652	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.4	179.8	-57	-75.3	0	0	0	112.6	D582	D582-N584 PolarHBondContact O-N 2.92Å; D582-N584 VanDerWaalsContact O-N 3.16Å; D582-N584 WeakPolarHBondContact OD1-CB 3.43Å; D582-N584 PolarHBondContact OD1-N 3.47Å; D582-N584 PolarHBondContact OD1-ND2 3.16Å
585	K	98.1	Very high	97.5	Very high	154 Å²	154	48 Å²	48	67%	0.67	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.1	177.4	-65.2	-178.8	-172.4	177.4	0	113.3	A580 D582 E583	A580-K585 HydrophobicContact CB-CB 3.94Å; D582-K585 HydrophobicContact CB-CB 4.48Å; D582-K585 HydrophobicContact CB-CD 4.01Å; D582-K585 HydrophobicContact CB-CG 4.07Å; D582-K585 PolarHBondContact O-N 3.41Å; D582-K585 VanDerWaalsContact O-N 3.08Å; D582-K585 VanDerWaalsContact OD2-CE 3.29Å; D582-K585 WeakPolarHBondContact OD2-CE 3.37Å; E583-K585 VanDerWaalsContact C-N 3.33Å
586	R	98.6	Very high	97.3	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.011	26%	0.262	C	S	.	.	S	Bend	trans	-66.4	142.2	174.6	-56.1	176.1	-166	154.3	11.5	109.2	E512 K522 V525 E577 C578 A580 E583	E512-R586 IonicContact OE1-CZ 3.41Å; E512-R586 IonicContact OE1-NH1 3.49Å; E512-R586 PolarHBondContact OE1-NH1 2.95Å; E512-R586 IonicContact OE1-NH2 2.64Å; E512-R586 IonicContact OE2-CZ 3.66Å; E512-R586 IonicContact OE2-NH1 2.68Å; E512-R586 PolarHBondContact OE2-NH1 3.21Å; E512-R586 IonicContact OE2-NH2 3.71Å; E512-R586 PolarHBondContact OE2-NH2 3.41Å; K522-R586 HydrophobicContact CD-CB 4.32Å; K522-R586 PolarHBondContact NZ-O 3.18Å; K522-R586 WeakPolarHBondContact O-CD 3.08Å; K522-R586 PolarHBondContact O-NH1 3.16Å; V525-R586 HydrophobicContact CG1-CB 3.85Å; E577-R586 WeakPolarHBondContact O-CA 3.17Å; C578-R586 VanDerWaalsContact O-CD 3.26Å; C578-R586 WeakPolarHBondContact O-CD 3.46Å; C578-R586 WeakPolarHBondContact O-CG 3.35Å; A580-R586 HydrophobicContact CB-CG 3.92Å; A580-R586 PolarHBondContact O-NE 3.43Å; A580-R586 PolarHBondContact O-NH2 2.85Å; E583-R586 PolarHBondContact O-N 3.46Å
587	P	98.5	Very high	96.7	Very high	15 Å²	15	47.1 Å²	47.1	10%	0.097	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64.2	172.1	-179	22.8	-31.5	0	0	0	113.1	K522 V525 L574 E577 T591 I592	K522-P587 PolarHBondContact NZ-O 3.17Å; V525-P587 HydrophobicContact CG1-CG 4.44Å; L574-P587 HydrophobicContact CD1-CG 4.42Å; E577-P587 HydrophobicContact CB-CG 4.4Å; P587-T591 HydrophobicContact CB-CG2 4.18Å; P587-I592 HydrophobicContact CB-CG1 4.03Å; P587-I592 HydrophobicContact CG-CD1 4.01Å; P587-I592 HydrophobicContact CG-CG1 3.69Å
588	S	98.5	Very high	96	Very high	32 Å²	32	47.3 Å²	47.3	22%	0.224	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-83.8	161.3	164.9	71.1	0	0	0	0	109.9	A590 T591 I592	S588-A590 PolarHBondContact O-N 2.89Å; S588-T591 PolarHBondContact O-N 2.85Å; S588-T591 VanDerWaalsContact O-N 3.16Å; S588-T591 PolarHBondContact OG-N 2.73Å; S588-T591 PolarHBondContact OG-OG1 3.06Å; S588-I592 VanDerWaalsContact O-CG1 3.32Å; S588-I592 WeakPolarHBondContact O-CG1 3.3Å; S588-I592 PolarHBondContact O-N 3.15Å
589	F	98.7	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-30.2	174.5	-83.1	-70.7	0	0	0	112.3	M454 A455 E458 L467 I521 D524 V525 F528 I592 H593	M454-F589 HydrophobicContact CB-CB 4.23Å; M454-F589 HydrophobicContact CB-CD1 3.3Å; M454-F589 HydrophobicContact CB-CD2 3.87Å; M454-F589 HydrophobicContact CB-CE1 3.42Å; M454-F589 VanDerWaalsContact CB-CE1 3.42Å; M454-F589 HydrophobicContact CB-CE2 3.97Å; M454-F589 HydrophobicContact CB-CG 3.54Å; M454-F589 HydrophobicContact CB-CZ 3.75Å; M454-F589 HydrophobicContact CE-CD2 4.28Å; M454-F589 HydrophobicContact CE-CE1 4.36Å; M454-F589 HydrophobicContact CE-CE2 3.52Å; M454-F589 HydrophobicContact CE-CZ 3.56Å; M454-F589 HydrophobicContact CG-CD1 4.16Å; M454-F589 HydrophobicContact CG-CE1 3.76Å; M454-F589 HydrophobicContact CG-CE2 4.48Å; M454-F589 HydrophobicContact CG-CZ 3.93Å; A455-F589 HydrophobicContact CB-CB 3.85Å; E458-F589 HydrophobicContact CB-CD2 4.47Å; E458-F589 PolarHBondContact OE2-N 3.08Å; L467-F589 HydrophobicContact CD2-CZ 4.39Å; I521-F589 HydrophobicContact CD1-CD2 3.84Å; I521-F589 HydrophobicContact CD1-CE2 3.73Å; I521-F589 HydrophobicContact CG1-CD2 3.86Å; I521-F589 HydrophobicContact CG1-CE2 3.95Å; D524-F589 HydrophobicContact CB-CE2 3.96Å; D524-F589 HydrophobicContact CB-CZ 4.1Å; V525-F589 HydrophobicContact CB-CE2 4.42Å; V525-F589 HydrophobicContact CB-CZ 4.37Å; V525-F589 HydrophobicContact CG2-CD2 3.79Å; V525-F589 HydrophobicContact CG2-CE1 4.32Å; V525-F589 HydrophobicContact CG2-CE2 3.47Å; V525-F589 VanDerWaalsContact CG2-CE2 3.47Å; V525-F589 HydrophobicContact CG2-CG 4.34Å; V525-F589 HydrophobicContact CG2-CZ 3.77Å; F528-F589 HydrophobicContact CB-CE1 3.63Å; F528-F589 HydrophobicContact CB-CZ 3.98Å; F528-F589 HydrophobicContact CD1-CE1 4.47Å; F528-F589 AromaticContact CD2-CE1 3.87Å; F528-F589 HydrophobicContact CD2-CE1 3.87Å; F528-F589 AromaticContact CG-CE1 3.73Å; F528-F589 HydrophobicContact CG-CE1 3.73Å; F589-I592 HydrophobicContact CD1-CD1 3.92Å; F589-I592 HydrophobicContact CE1-CD1 4.18Å; F589-I592 PolarHBondContact O-N 3.34Å; F589-H593 VanDerWaalsContact O-CB 3.29Å; F589-H593 WeakPolarHBondContact O-CB 3.28Å; F589-H593 PolarHBondContact O-N 3Å
590	A	97.3	Very high	93.9	Very high	56 Å²	56	49 Å²	49	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-41.6	170.4	0	0	0	0	0	112.4	S588 F594	S588-A590 PolarHBondContact O-N 2.89Å; A590-F594 WeakPolarHBondContact O-CB 3.35Å; A590-F594 PolarHBondContact O-N 2.93Å; A590-F594 VanDerWaalsContact O-N 3.08Å
591	T	97.9	Very high	92.4	Very high	65 Å²	65	52.1 Å²	52.1	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-67.8	-42.1	175.4	-56.7	0	0	0	0	112	P587 S588 F594 R595	P587-T591 HydrophobicContact CB-CG2 4.18Å; S588-T591 PolarHBondContact O-N 2.85Å; S588-T591 VanDerWaalsContact O-N 3.16Å; S588-T591 PolarHBondContact OG-N 2.73Å; S588-T591 PolarHBondContact OG-OG1 3.06Å; T591-F594 PolarHBondContact O-N 3.3Å; T591-R595 WeakPolarHBondContact O-CG 3.4Å; T591-R595 PolarHBondContact O-N 3.13Å
592	I	98.5	Very high	90.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-48.9	176.1	-67.1	166	0	0	0	110.4	A451 V525 F528 L574 P587 S588 F589 F594 R595 L596	A451-I592 HydrophobicContact CB-CG2 3.9Å; V525-I592 HydrophobicContact CG1-CD1 3.84Å; V525-I592 HydrophobicContact CG2-CD1 4.13Å; F528-I592 HydrophobicContact CD1-CD1 4.35Å; F528-I592 HydrophobicContact CD1-CG2 3.83Å; F528-I592 HydrophobicContact CE1-CG2 3.31Å; F528-I592 HydrophobicContact CZ-CG2 3.9Å; L574-I592 HydrophobicContact CD1-CG1 4.29Å; L574-I592 HydrophobicContact CD2-CG2 4.46Å; P587-I592 HydrophobicContact CB-CG1 4.03Å; P587-I592 HydrophobicContact CG-CD1 4.01Å; P587-I592 HydrophobicContact CG-CG1 3.69Å; S588-I592 VanDerWaalsContact O-CG1 3.32Å; S588-I592 WeakPolarHBondContact O-CG1 3.3Å; S588-I592 PolarHBondContact O-N 3.15Å; F589-I592 HydrophobicContact CD1-CD1 3.92Å; F589-I592 HydrophobicContact CE1-CD1 4.18Å; F589-I592 PolarHBondContact O-N 3.34Å; I592-F594 PolarHBondContact O-N 3.22Å; I592-R595 PolarHBondContact O-N 2.75Å; I592-L596 HydrophobicContact CG2-CD1 3.81Å; I592-L596 HydrophobicContact CG2-CG 4.48Å; I592-L596 WeakPolarHBondContact O-CG 3.28Å; I592-L596 PolarHBondContact O-N 3.42Å
593	H	96.9	Very high	88.7	Confident	40 Å²	40	58.7 Å²	58.7	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-55.4	-53.9	177.7	179	-111.1	0	0	0	111.2	A448 A451 F589 R595 L596 E597	A448-H593 PolarHBondContact O-CD2 3.37Å; A448-H593 VanDerWaalsContact O-CD2 3.22Å; A451-H593 HydrophobicContact CB-CB 4Å; F589-H593 VanDerWaalsContact O-CB 3.29Å; F589-H593 WeakPolarHBondContact O-CB 3.28Å; F589-H593 PolarHBondContact O-N 3Å; H593-R595 VanDerWaalsContact C-N 3.34Å; H593-R595 PolarHBondContact O-N 3.2Å; H593-L596 PolarHBondContact O-N 3.44Å; H593-L596 VanDerWaalsContact O-N 3.14Å; H593-E597 IonicContact CE1-OE1 2.68Å; H593-E597 IonicContact CE1-OE2 3.48Å; H593-E597 PolarHBondContact CE1-OE2 3.37Å; H593-E597 IonicContact ND1-OE2 3.8Å; H593-E597 PolarHBondContact ND1-OE2 3.19Å; H593-E597 IonicContact NE2-OE2 2.66Å; H593-E597 PolarHBondContact O-N 3.11Å
594	F	93.4	Very high	86.8	Confident	115 Å²	115	58.7 Å²	58.7	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-44.2	179.2	178.4	-105.2	0	0	0	112.5	A590 T591 I592 L596 E597 Q598	A590-F594 WeakPolarHBondContact O-CB 3.35Å; A590-F594 PolarHBondContact O-N 2.93Å; A590-F594 VanDerWaalsContact O-N 3.08Å; T591-F594 PolarHBondContact O-N 3.3Å; I592-F594 PolarHBondContact O-N 3.22Å; F594-L596 PolarHBondContact O-N 3.18Å; F594-E597 WeakPolarHBondContact O-CB 3.17Å; F594-E597 PolarHBondContact O-N 3.38Å; F594-Q598 HydrophobicContact CD1-CG 4.35Å; F594-Q598 HydrophobicContact CE1-CG 3.98Å; F594-Q598 HydrophobicContact CE2-CG 4.3Å; F594-Q598 HydrophobicContact CZ-CG 3.94Å; F594-Q598 WeakPolarHBondContact O-CG 3.27Å; F594-Q598 PolarHBondContact O-N 3.49Å
595	R	94.6	Very high	84.8	Confident	71 Å²	71	57.5 Å²	57.5	27%	0.268	29%	0.293	S	S	.	.	H	α-helix	trans	-66.8	-35.2	178	-75.4	-174.5	65.4	179.5	0.4	113.5	L574 E577 T591 I592 H593 Q598 F599	L574-R595 HydrophobicContact CD2-CB 4.44Å; E577-R595 IonicContact OE1-CZ 3.34Å; E577-R595 IonicContact OE1-NH1 3.02Å; E577-R595 PolarHBondContact OE1-NH1 3.1Å; E577-R595 IonicContact OE1-NH2 3.01Å; E577-R595 IonicContact OE2-NH1 3.58Å; E577-R595 PolarHBondContact OE2-NH1 3.17Å; T591-R595 WeakPolarHBondContact O-CG 3.4Å; T591-R595 PolarHBondContact O-N 3.13Å; I592-R595 PolarHBondContact O-N 2.75Å; H593-R595 VanDerWaalsContact C-N 3.34Å; H593-R595 PolarHBondContact O-N 3.2Å; R595-Q598 PolarHBondContact O-N 2.91Å; R595-F599 PolarHBondContact O-N 3.08Å
596	L	94.3	Very high	83.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-71.8	-32.5	175	-66.8	168.7	0	0	0	111.7	I444 A447 A448 A451 F528 L571 L574 I592 H593 F594 C600	I444-L596 HydrophobicContact CG2-CD2 4.2Å; A447-L596 HydrophobicContact CB-CD1 4.15Å; A448-L596 HydrophobicContact CB-CB 3.83Å; A451-L596 HydrophobicContact CB-CD1 3.99Å; F528-L596 HydrophobicContact CE1-CD1 4Å; F528-L596 HydrophobicContact CZ-CD1 3.74Å; L571-L596 HydrophobicContact CD1-CD2 3.6Å; L574-L596 HydrophobicContact CD2-CD2 3.89Å; L574-L596 HydrophobicContact CD2-CG 4.02Å; I592-L596 HydrophobicContact CG2-CD1 3.81Å; I592-L596 HydrophobicContact CG2-CG 4.48Å; I592-L596 WeakPolarHBondContact O-CG 3.28Å; I592-L596 PolarHBondContact O-N 3.42Å; H593-L596 PolarHBondContact O-N 3.44Å; H593-L596 VanDerWaalsContact O-N 3.14Å; F594-L596 PolarHBondContact O-N 3.18Å; L596-C600 PolarHBondContact O-N 3.33Å; L596-C600 PolarHBondContact O-SG 3.09Å
597	E	86.7	Confident	81.9	Confident	42 Å²	42	57.1 Å²	57.1	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-45.9	169	-69.6	-172.9	103.2	0	0	111.5	K228 H593 F594 F599 C600 E601	K228-E597 WeakPolarHBondContact CE-OE1 3.44Å; K228-E597 IonicContact NZ-OE1 3.63Å; K228-E597 PolarHBondContact NZ-OE1 2.96Å; H593-E597 IonicContact CE1-OE1 2.68Å; H593-E597 IonicContact CE1-OE2 3.48Å; H593-E597 PolarHBondContact CE1-OE2 3.37Å; H593-E597 IonicContact ND1-OE2 3.8Å; H593-E597 PolarHBondContact ND1-OE2 3.19Å; H593-E597 IonicContact NE2-OE2 2.66Å; H593-E597 PolarHBondContact O-N 3.11Å; F594-E597 WeakPolarHBondContact O-CB 3.17Å; F594-E597 PolarHBondContact O-N 3.38Å; E597-F599 VanDerWaalsContact C-N 3.32Å; E597-F599 PolarHBondContact O-N 3Å; E597-C600 WeakPolarHBondContact O-CA 3.38Å; E597-C600 VanDerWaalsContact O-CB 3.24Å; E597-C600 WeakPolarHBondContact O-CB 3.39Å; E597-C600 PolarHBondContact O-N 3.17Å; E597-E601 PolarHBondContact O-N 3.17Å
598	Q	84.6	Confident	80.7	Confident	76 Å²	76	62.2 Å²	62.2	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-39.9	177.1	-72.7	-172.2	-69.4	0	0	112.6	F594 R595 C600 E601 D602	F594-Q598 HydrophobicContact CD1-CG 4.35Å; F594-Q598 HydrophobicContact CE1-CG 3.98Å; F594-Q598 HydrophobicContact CE2-CG 4.3Å; F594-Q598 HydrophobicContact CZ-CG 3.94Å; F594-Q598 WeakPolarHBondContact O-CG 3.27Å; F594-Q598 PolarHBondContact O-N 3.49Å; R595-Q598 PolarHBondContact O-N 2.91Å; Q598-C600 PolarHBondContact O-N 2.88Å; Q598-C600 VanDerWaalsContact O-N 3.16Å; Q598-E601 WeakPolarHBondContact O-CA 3.29Å; Q598-E601 PolarHBondContact O-N 3.46Å; Q598-D602 PolarHBondContact O-N 3.35Å
599	F	81	Confident	79.2	Confident	32 Å²	32	66.2 Å²	66.2	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-29.4	175.4	-159	-76.8	0	0	0	112.2	I444 P568 E570 R595 E597	I444-F599 HydrophobicContact CD1-CD1 3.36Å; I444-F599 HydrophobicContact CD1-CE1 3.45Å; I444-F599 VanDerWaalsContact CD1-CE1 3.45Å; I444-F599 HydrophobicContact CD1-CG 4.2Å; I444-F599 HydrophobicContact CD1-CZ 4.35Å; I444-F599 HydrophobicContact CG2-CB 4.3Å; I444-F599 HydrophobicContact CG2-CD1 4.23Å; P568-F599 HydrophobicContact CB-CE1 4.31Å; P568-F599 HydrophobicContact CB-CE2 3.79Å; P568-F599 HydrophobicContact CB-CZ 3.35Å; P568-F599 HydrophobicContact CG-CE1 4Å; P568-F599 HydrophobicContact CG-CE2 4.35Å; P568-F599 HydrophobicContact CG-CZ 3.51Å; E570-F599 HydrophobicContact CB-CD2 4.35Å; E570-F599 HydrophobicContact CB-CE2 4.05Å; R595-F599 PolarHBondContact O-N 3.08Å; E597-F599 VanDerWaalsContact C-N 3.32Å; E597-F599 PolarHBondContact O-N 3Å
600	C	70.4	Confident	77.4	Confident	6 Å²	6	66.3 Å²	66.3	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-79.3	-15.4	173.5	-60.1	0	0	0	0	114	I230 Q441 L596 E597 Q598 Q604	I230-C600 HydrophobicContact CB-CB 4.09Å; I230-C600 HydrophobicContact CD1-CB 3.53Å; I230-C600 WeakPolarHBondContact CD1-O 3.34Å; I230-C600 HydrophobicContact CG1-CB 4.25Å; I230-C600 HydrophobicContact CG2-CB 3.84Å; Q441-C600 PolarHBondContact NE2-SG 3.2Å; L596-C600 PolarHBondContact O-N 3.33Å; L596-C600 PolarHBondContact O-SG 3.09Å; E597-C600 WeakPolarHBondContact O-CA 3.38Å; E597-C600 VanDerWaalsContact O-CB 3.24Å; E597-C600 WeakPolarHBondContact O-CB 3.39Å; E597-C600 PolarHBondContact O-N 3.17Å; Q598-C600 PolarHBondContact O-N 2.88Å; Q598-C600 VanDerWaalsContact O-N 3.16Å; C600-Q604 WeakPolarHBondContact O-CG 3.5Å
601	E	66.8	Low	75.4	Confident	86 Å²	86	68 Å²	68	40%	0.402	35%	0.346	S	S	.	.	H	α-helix	trans	-96.5	-33.2	-177.5	-68.9	-179.8	-164.3	0	0	112.4	K228 E597 Q598 E603 Q604	K228-E601 IonicContact NZ-OE1 2.73Å; K228-E601 PolarHBondContact NZ-OE1 2.72Å; E597-E601 PolarHBondContact O-N 3.17Å; Q598-E601 WeakPolarHBondContact O-CA 3.29Å; Q598-E601 PolarHBondContact O-N 3.46Å; E601-E603 PolarHBondContact O-N 3.45Å; E601-Q604 WeakPolarHBondContact O-CB 3.27Å; E601-Q604 VanDerWaalsContact O-CG 3.28Å; E601-Q604 WeakPolarHBondContact O-CG 3.49Å; E601-Q604 PolarHBondContact O-N 3.24Å
602	D	59.8	Low	73.1	Confident	138 Å²	138	70.4 Å²	70.4	74%	0.738	36%	0.361	S	S	*	.	H	α-helix	trans	-73.3	-24.4	-171.6	-75.4	-29.6	0	0	0	115.1	Q598 Q604	Q598-D602 PolarHBondContact O-N 3.35Å; D602-Q604 PolarHBondContact O-N 3.34Å
603	E	55.8	Low	70.6	Confident	144 Å²	144	75.3 Å²	75.3	67%	0.673	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	2.7	176.2	-63	-158.6	159	0	0	114	E601	E601-E603 PolarHBondContact O-N 3.45Å
604	Q	55.4	Low	68.2	Low	34 Å²	34	76.6 Å²	76.6	16%	0.159	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-94	118.4	-163.6	-66.6	-77.8	-12.9	0	0	114.5	E233 C600 E601 D602	E233-Q604 PolarHBondContact OE1-OE1 3.47Å; E233-Q604 VanDerWaalsContact OE1-OE1 3.04Å; E233-Q604 PolarHBondContact OE2-NE2 2.89Å; E233-Q604 PolarHBondContact OE2-OE1 2.92Å; C600-Q604 WeakPolarHBondContact O-CG 3.5Å; E601-Q604 WeakPolarHBondContact O-CB 3.27Å; E601-Q604 VanDerWaalsContact O-CG 3.28Å; E601-Q604 WeakPolarHBondContact O-CG 3.49Å; E601-Q604 PolarHBondContact O-N 3.24Å; D602-Q604 PolarHBondContact O-N 3.34Å
605	P	55.9	Low	65.6	Low	96 Å²	96	79.8 Å²	79.8	62%	0.623	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.9	146.3	175.6	25.9	-33.5	0	0	0	112.3	R229	R229-P605 VanDerWaalsContact CZ-O 3.22Å; R229-P605 PolarHBondContact NH1-O 3.34Å; R229-P605 PolarHBondContact NH2-O 3.18Å
606	A	63.7	Low	62.6	Low	91 Å²	91	81.1 Å²	81.1	75%	0.752	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-60.9	155.5	-172.8	0	0	0	0	0	115.2	R608	A606-R608 PolarHBondContact O-N 3.04Å
607	Y	71.6	Confident	59.8	Low	58 Å²	58	90 Å²	90	23%	0.227	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-52.2	134	175.1	-74	-91.1	0	0	0	112.3	S259 H270 R272	S259-Y607 PolarHBondContact OG-OH 3.23Å; H270-Y607 HydrophobicContact CB-CD1 3.79Å; H270-Y607 HydrophobicContact CB-CE1 3.82Å; R272-Y607 HydrophobicContact CB-CD1 4.01Å; R272-Y607 HydrophobicContact CB-CE1 4.44Å; R272-Y607 HydrophobicContact CB-CG 4.41Å
608	R	72.7	Confident	57.3	Low	123 Å²	123	93.8 Å²	93.8	46%	0.464	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-79.1	138.9	178.4	-80.7	-173.4	166.1	179.3	-4.7	112.1	E264 H270 Y271 A606	E264-R608 IonicContact OE2-NH1 3.72Å; H270-R608 PolarHBondContact O-N 2.86Å; H270-R608 VanDerWaalsContact O-N 3.11Å; Y271-R608 HydrophobicContact CD1-CB 4.29Å; Y271-R608 HydrophobicContact CE1-CB 3.8Å; A606-R608 PolarHBondContact O-N 3.04Å
609	N	67.7	Low	55.1	Low	116 Å²	116	98 Å²	98	62%	0.62	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-88	121.5	168.7	-71.1	-46.1	0	0	0	109.9	N611	N609-N611 PolarHBondContact O-N 2.64Å
610	A	61.7	Low	52.8	Low	2 Å²	2	99.8 Å²	99.8	2%	0.017	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-74.8	1.7	179.9	0	0	0	0	0	114.9	I289 T612	I289-A610 HydrophobicContact CG2-CB 3.8Å; A610-T612 VanDerWaalsContact C-N 3.31Å; A610-T612 PolarHBondContact O-N 3.35Å
611	N	55.3	Low	51.1	Low	92 Å²	92	105 Å²	105	49%	0.492	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-75.3	-10	-170.5	-76.3	4.6	0	0	0	114.9	S290 N609	S290-N611 PolarHBondContact OG-OD1 3.49Å; S290-N611 VanDerWaalsContact OG-OD1 3.13Å; N609-N611 PolarHBondContact O-N 2.64Å
612	T	49.6	Very low	49.5	Very low	115 Å²	115	106.5 Å²	106.5	71%	0.706	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-84.6	-18.6	-168.5	55.9	0	0	0	0	115	A610	A610-T612 VanDerWaalsContact C-N 3.31Å; A610-T612 PolarHBondContact O-N 3.35Å
613	N	45.9	Very low	48.1	Very low	103 Å²	103	107.5 Å²	107.5	55%	0.551	61%	0.611	S	S	*	*			trans	-120.8	23.6	-165.8	-67.9	13.9	0	0	0	114.5	H615	N613-H615 VanDerWaalsContact C-N 3.27Å; N613-H615 PolarHBondContact O-N 2.76Å
614	I	46.4	Very low	46.9	Very low	67 Å²	67	106.1 Å²	106.1	34%	0.344	61%	0.612	S	S	.	*	S	Bend	trans	-83.3	-1.6	-175.6	-61.7	174.3	0	0	0	112.6	Q292	Q292-I614 VanDerWaalsContact OE1-CD1 3.24Å
615	H	37.7	Very low	45.8	Very low	181 Å²	181	109.9 Å²	109.9	84%	0.838	64%	0.637	S	S	*	*			trans	-125.9	71.2	179.7	-66.3	-46.2	0	0	0	113.7	N613	N613-H615 VanDerWaalsContact C-N 3.27Å; N613-H615 PolarHBondContact O-N 2.76Å
616	S	32.6	Very low	44.6	Very low	100 Å²	100	112.4 Å²	112.4	70%	0.699	65%	0.645	S	S	*	*			trans	-148	110	159.2	47.3	0	0	0	0	111.4
617	H	34.7	Very low	43	Very low	187 Å²	187	114.8 Å²	114.8	87%	0.866	64%	0.64	S	S	*	*			trans	-76.8	138.2	166.3	-80.2	-81.9	0	0	0	109.6
618	P	34.8	Very low	41.2	Very low	122 Å²	122	117.3 Å²	117.3	79%	0.792	66%	0.657	S	S	*	*			trans	-80.8	122.9	175	31.7	-31.6	0	0	0	110.5
619	N	37	Very low	39.3	Very low	166 Å²	166	119.5 Å²	119.5	89%	0.888	67%	0.67	S	S	*	*			trans	-143.7	122.5	169.2	-111.6	-8	0	0	0	110
620	G	33.8	Very low	37.7	Very low	69 Å²	69	122.7 Å²	122.7	71%	0.711	68%	0.682	S	S	*	*			trans	89.9	90.3	152.6	0	0	0	0	0	119.5
621	S	34.2	Very low	36.3	Very low	114 Å²	114	130 Å²	130	80%	0.797	72%	0.72	S	S	*	*				61	125.6	124.1	-52.3	0	0	0	0	123.4
622	S	34	Very low	35.7	Very low	118 Å²	118	130.4 Å²	130.4	83%	0.825	73%	0.728	S	S	*	*			trans	70.1	159.1	145	-66.4	0	0	0	0	120.3
623	M	29.3	Very low	35.1	Very low	160 Å²	160	130 Å²	130	79%	0.788	73%	0.73	S	S	*	*			cis	-176.3	154	-34.3	-161.9	177.3	73.8	0	0	106.6
624	V	32	Very low	34.5	Very low	114 Å²	114	130.8 Å²	130.8	69%	0.691	74%	0.743	S	S	*	*			trans	72.5	151.9	164.4	-169.7	0	0	0	0	116.7
625	V	30.8	Very low	34	Very low	114 Å²	114	131.5 Å²	131.5	69%	0.691	77%	0.767	S	S	*	*			cis	174.5	134.6	-45.4	125.5	0	0	0	0	108.4
626	L	31.2	Very low	33.6	Very low	149 Å²	149	127.1 Å²	127.1	78%	0.78	76%	0.762	S	S	*	*			trans	55.1	150.6	161.6	-63	170.1	0	0	0	117.8
627	Q	30.6	Very low	33.7	Very low	140 Å²	140	133.8 Å²	133.8	65%	0.654	77%	0.774	S	S	*	*			cis	-176.4	167.4	27.2	-141	170.8	43.7	0	0	110.4
628	N	33.2	Very low	33.5	Very low	111 Å²	111	133 Å²	133	59%	0.594	77%	0.77	S	S	*	*			trans	67.6	149.7	152.6	-70.6	-31	0	0	0	118.9
629	K	32.8	Very low	33.5	Very low	169 Å²	169	134 Å²	134	74%	0.735	77%	0.769	S	S	*	*			cis	-168.3	167.8	-20.8	-125.5	174.3	-172.1	174.9	0	109.1
630	Q	35.2	Very low	33.2	Very low	184 Å²	184	134.3 Å²	134.3	86%	0.86	77%	0.765	S	S	*	*			trans	82.5	110.5	156.8	-73.3	165.2	-26.2	0	0	121.1
631	N	31.7	Very low	33.1	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	77%	0.773	S	S	*	*			trans	-75.8	-174.7	154.5	-109.5	-10.1	0	0	0	110.9
632	P	42.6	Very low	33	Very low	101 Å²	101	142.2 Å²	142.2	66%	0.656	78%	0.775	S	S	*	*			cis	-137.6	-178.8	-34.7	38.2	-21.4	0	0	0	112.8
633	S	36.4	Very low	32.8	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	77%	0.773	S	S	*	*				152.7	140.1	126.8	57.8	0	0	0	0	116.9
634	S	34.7	Very low	33.1	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	77%	0.773	S	S	*	*			trans	44.1	127.3	151.8	60	0	0	0	0	122.7
635	G	34.7	Very low	33	Very low	82 Å²	82	142.5 Å²	142.5	85%	0.845	78%	0.778	S	S	*	*			trans	160.4	95.8	157	0	0	0	0	0	113.7
636	A	29.4	Very low	33.6	Very low	89 Å²	89	142.2 Å²	142.2	74%	0.736	78%	0.781	S	S	*	*			trans	-91.8	136.5	176	0	0	0	0	0	111.5
637	Y	35	Very low	34.3	Very low	240 Å²	240	144.7 Å²	144.7	94%	0.941	81%	0.806	S	S	*	*			trans	-154.2	140.8	153.7	-89.6	-67.7	0	0	0	111.6
638	H	30.4	Very low	34.5	Very low	171 Å²	171	145 Å²	145	79%	0.792	81%	0.814	S	S	*	*			trans	-68.2	150.4	166.8	-85.6	8.7	0	0	0	111.3
639	N	34.7	Very low	34.5	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	83%	0.825	S	S	*	*				178.5	151.8	111	-90.4	-27.8	0	0	0	114.8
640	H	29.6	Very low	34.6	Very low	171 Å²	171	145.5 Å²	145.5	79%	0.792	83%	0.83	S	S	*	*			trans	-22.4	146.4	168	-68	-99.7	0	0	0	119.9
641	I	33	Very low	34.6	Very low	172 Å²	172	143.2 Å²	143.2	88%	0.882	83%	0.829	S	S	*	*			trans	-130	132.7	146.6	-65.4	-176.7	0	0	0	108.9
642	E	31.5	Very low	34.8	Very low	178 Å²	178	142.6 Å²	142.6	83%	0.832	83%	0.829	S	S	*	*			trans	-93.6	176.2	-179.2	-106.5	-177	148.4	0	0	113.8
643	I	29.8	Very low	34.3	Very low	153 Å²	153	145.3 Å²	145.3	79%	0.785	84%	0.84	S	S	*	*			trans	-79.5	154.5	-167.5	-59.9	157.2	0	0	0	112.4	V645	I643-V645 HydrophobicContact CG2-CG2 4.11Å
644	S	36.2	Very low	34.1	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	85%	0.847	S	S	*	*			trans	-141.8	141.1	146.5	54.9	0	0	0	0	112.2
645	V	29.9	Very low	34.1	Very low	130 Å²	130	150.3 Å²	150.3	79%	0.788	85%	0.848	S	S	*	*			trans	-141.1	138.1	172.3	-176.4	0	0	0	0	106.8	I643	I643-V645 HydrophobicContact CG2-CG2 4.11Å
646	S	42.1	Very low	34	Very low	108 Å²	108	156 Å²	156	76%	0.755	85%	0.848	S	S	*	*			trans	-153.5	153	178.1	-50	0	0	0	0	110.7
647	P	46.4	Very low	34.4	Very low	201 Å²	201	162.1 Å²	162.1	100%	1.305	86%	0.859	S	S	*	*			cis	-86.7	0	-36.7	6.4	15.4	0	0	0	112.4

Retrieved 647 of 647 residues in 426.6 ms (Link to these results)

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