A0A061AJ50_CAEEL Loading...

2-phosphoxylose phosphatase 1

AlphaFold DB , UniProt , Accession A0A061AJ50, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 537 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	38.2	Very low	37.2	Very low	239 Å²	239	162.7 Å²	162.7	100%	1.177	84%	0.838	S	S	*	*				0	100	0	-84.9	173.3	159.2	0	0	106
2	D	36.7	Very low	37.3	Very low	144 Å²	144	164.1 Å²	164.1	77%	0.77	84%	0.837	S	S	*	*			trans	56.5	101.5	164	-51.9	-9.4	0	0	0	118.3
3	E	35.3	Very low	36.8	Very low	171 Å²	171	168.2 Å²	168.2	80%	0.799	84%	0.836	S	S	*	*				74.9	99.3	78.7	-80	-168.2	158.7	0	0	111.9
4	T	35.9	Very low	36.5	Very low	125 Å²	125	167.5 Å²	167.5	77%	0.767	83%	0.826	S	S	*	*				52.8	122.9	92.8	57.2	0	0	0	0	114.7
5	D	39.5	Very low	36.3	Very low	147 Å²	147	167.7 Å²	167.7	79%	0.786	82%	0.821	S	S	*	*				-179.3	-173.7	112.8	-150.9	4.8	0	0	0	111
6	T	38.6	Very low	35.9	Very low	97 Å²	97	162 Å²	162	60%	0.595	82%	0.819	S	S	*	*				-122.4	163.1	-125.8	43.3	0	0	0	0	116.9
7	R	34.3	Very low	35.9	Very low	242 Å²	242	163.2 Å²	163.2	91%	0.913	82%	0.818	S	S	*	*			trans	29	129.8	141.2	-60.2	177.3	-162.4	172.5	6	119.6
8	G	39.3	Very low	36	Very low	81 Å²	81	159.7 Å²	159.7	84%	0.835	81%	0.809	S	S	*	*			trans	-154.8	101.2	153.9	0	0	0	0	0	112.8
9	H	36.5	Very low	36.2	Very low	187 Å²	187	162.8 Å²	162.8	87%	0.866	82%	0.816	S	S	*	*			trans	-65.9	142	167.1	-94.8	-71.3	0	0	0	111.4
10	K	39.9	Very low	36.2	Very low	198 Å²	198	161.6 Å²	161.6	86%	0.861	81%	0.809	S	S	*	*			trans	-158.5	121.5	144	-108.3	170.1	-169.9	-178.3	0	111.9
11	N	35	Very low	36.8	Very low	159 Å²	159	158.4 Å²	158.4	85%	0.85	80%	0.795	S	S	*	*			trans	-67	133.7	170	-85.2	-32.7	0	0	0	111
12	H	39	Very low	37	Very low	179 Å²	179	156.9 Å²	156.9	83%	0.829	78%	0.776	S	S	*	*			trans	-125.5	119.2	156.1	-90.7	-77.3	0	0	0	110
13	R	30.6	Very low	37.2	Very low	217 Å²	217	152 Å²	152	82%	0.819	76%	0.755	S	S	*	*			trans	-62.5	144.5	159.6	-67.4	176.1	-173.9	178.7	1.3	108.6
14	F	31.5	Very low	37.5	Very low	159 Å²	159	146.2 Å²	146.2	70%	0.697	73%	0.732	S	S	*	*				153.8	152	115	-99.1	-83.9	0	0	0	113.3
15	F	34.6	Very low	38	Very low	170 Å²	170	148.4 Å²	148.4	75%	0.746	73%	0.731	S	S	*	*			trans	82.3	107.6	161.1	-64.3	-66.9	0	0	0	118.7
16	G	29.4	Very low	37.9	Very low	77 Å²	77	143 Å²	143	79%	0.794	71%	0.706	S	S	*	*			trans	-66.4	144.9	165.9	0	0	0	0	0	111.8
17	F	35.3	Very low	37.8	Very low	183 Å²	183	148 Å²	148	80%	0.803	71%	0.714	S	S	*	*			trans	-122.5	143.9	162.9	-88.1	-88	0	0	0	108.9
18	P	38.4	Very low	38	Very low	100 Å²	100	142.6 Å²	142.6	65%	0.649	70%	0.704	S	S	*	*			trans	-72.2	157	-165.5	31.7	-35.8	0	0	0	111.8	M20	P18-M20 PolarHBondContact O-N 3.25Å
19	K	39.7	Very low	38.3	Very low	219 Å²	219	142.7 Å²	142.7	95%	0.952	69%	0.688	S	S	*	*			trans	-49.7	101.5	169.9	-79.6	-179.4	174.2	178.3	0	110
20	M	36.2	Very low	38.3	Very low	137 Å²	137	138.6 Å²	138.6	68%	0.675	67%	0.672	S	S	*	*			trans	-76	125.2	172.2	-103.2	178.2	-123.7	0	0	110.3	P18 T24	P18-M20 PolarHBondContact O-N 3.25Å; M20-T24 HydrophobicContact CG-CG2 4.44Å; M20-T24 HydrophobicContact SD-CG2 3.82Å
21	N	48.7	Very low	37.9	Very low	96 Å²	96	133.5 Å²	133.5	51%	0.513	66%	0.657	S	S	.	*			trans	-50.7	138.5	170.7	165.6	-4.1	0	0	0	111.7	A23 T24	N21-A23 PolarHBondContact O-N 2.88Å; N21-A23 WeakPolarHBondContact OD1-CB 3.37Å; N21-A23 PolarHBondContact OD1-N 3.36Å; N21-T24 WeakPolarHBondContact O-CB 3.44Å; N21-T24 PolarHBondContact O-N 2.87Å; N21-T24 PolarHBondContact O-OG1 3.48Å
22	W	42.7	Very low	37.7	Very low	207 Å²	207	130.5 Å²	130.5	78%	0.784	65%	0.647	S	S	*	*	H	α-helix	trans	-43.7	-35.6	177.6	78.5	-83.6	0	0	0	114.7	T24 K25 A26	W22-T24 PolarHBondContact O-N 3.3Å; W22-K25 PolarHBondContact O-N 3.14Å; W22-K25 VanDerWaalsContact O-N 3.07Å; W22-A26 PolarHBondContact O-N 3.27Å; W22-A26 VanDerWaalsContact O-N 3.09Å
23	A	40.6	Very low	37.2	Very low	40 Å²	40	132.5 Å²	132.5	33%	0.331	65%	0.647	S	S	.	*	H	α-helix	trans	-60.4	-27.7	178.5	0	0	0	0	0	113.1	N21 R27	N21-A23 PolarHBondContact O-N 2.88Å; N21-A23 WeakPolarHBondContact OD1-CB 3.37Å; N21-A23 PolarHBondContact OD1-N 3.36Å; A23-R27 PolarHBondContact O-N 2.74Å; A23-R27 VanDerWaalsContact O-N 3.11Å
24	T	42.2	Very low	37.2	Very low	51 Å²	51	126.1 Å²	126.1	31%	0.313	63%	0.628	S	S	.	*	H	α-helix	trans	-78.5	-32.5	177.8	-37.3	0	0	0	0	111.6	M20 N21 W22 N28	M20-T24 HydrophobicContact CG-CG2 4.44Å; M20-T24 HydrophobicContact SD-CG2 3.82Å; N21-T24 WeakPolarHBondContact O-CB 3.44Å; N21-T24 PolarHBondContact O-N 2.87Å; N21-T24 PolarHBondContact O-OG1 3.48Å; W22-T24 PolarHBondContact O-N 3.3Å; T24-N28 PolarHBondContact O-N 3.2Å
25	K	45.1	Very low	37	Very low	171 Å²	171	129.1 Å²	129.1	74%	0.743	64%	0.635	S	S	*	*	H	α-helix	trans	-69.4	-40.5	173.3	-106.3	-177.5	176.3	-176.1	0	111.5	W22 N28 V29	W22-K25 PolarHBondContact O-N 3.14Å; W22-K25 VanDerWaalsContact O-N 3.07Å; K25-N28 PolarHBondContact O-N 3.35Å; K25-V29 WeakPolarHBondContact O-CG2 3.49Å; K25-V29 PolarHBondContact O-N 3.09Å
26	A	38.4	Very low	36.8	Very low	32 Å²	32	128.3 Å²	128.3	26%	0.264	63%	0.631	S	S	.	*	H	α-helix	trans	-64.9	-41.5	175	0	0	0	0	0	111.9	W22 N28 V29 L30	W22-A26 PolarHBondContact O-N 3.27Å; W22-A26 VanDerWaalsContact O-N 3.09Å; A26-N28 VanDerWaalsContact C-N 3.34Å; A26-N28 PolarHBondContact O-N 2.95Å; A26-V29 PolarHBondContact O-N 3.43Å; A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.3Å; A26-L30 PolarHBondContact O-N 3.47Å
27	R	37.1	Very low	36.8	Very low	202 Å²	202	131.1 Å²	131.1	76%	0.762	63%	0.633	S	S	*	*	H	α-helix	trans	-64.7	-31.7	177.1	-93.8	-176.5	178.1	167.4	0.4	114.3	A23 V31	A23-R27 PolarHBondContact O-N 2.74Å; A23-R27 VanDerWaalsContact O-N 3.11Å; R27-V31 WeakPolarHBondContact O-CG2 3.5Å
28	N	37.7	Very low	36.5	Very low	129 Å²	129	132 Å²	132	69%	0.69	64%	0.637	S	S	*	*	H	α-helix	trans	-84.4	-13.2	-177.4	-71.8	-14.9	0	0	0	113.9	T24 K25 A26	T24-N28 PolarHBondContact O-N 3.2Å; K25-N28 PolarHBondContact O-N 3.35Å; A26-N28 VanDerWaalsContact C-N 3.34Å; A26-N28 PolarHBondContact O-N 2.95Å
29	V	45.6	Very low	36.3	Very low	83 Å²	83	134.6 Å²	134.6	50%	0.503	65%	0.645	S	S	.	*	H	α-helix	trans	-99.5	-16	178	-179	0	0	0	0	111.9	K25 A26 L324	K25-V29 WeakPolarHBondContact O-CG2 3.49Å; K25-V29 PolarHBondContact O-N 3.09Å; A26-V29 PolarHBondContact O-N 3.43Å; V29-L324 HydrophobicContact CG1-CD1 4.21Å
30	L	37.1	Very low	35.8	Very low	102 Å²	102	130 Å²	130	53%	0.534	64%	0.64	S	S	.	*	S	Bend	trans	-112.8	33.8	-171.9	-66.5	171.4	0	0	0	114.7	A26	A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.3Å; A26-L30 PolarHBondContact O-N 3.47Å
31	V	31.9	Very low	35.6	Very low	90 Å²	90	127.1 Å²	127.1	55%	0.545	65%	0.646	S	S	.	*			trans	-119.9	113.4	173.1	-155.9	0	0	0	0	108.6	R27 R33	R27-V31 WeakPolarHBondContact O-CG2 3.5Å; V31-R33 HydrophobicContact CG1-CB 4.43Å; V31-R33 HydrophobicContact CG1-CG 3.67Å; V31-R33 VanDerWaalsContact CG1-N 3.31Å
32	P	29.3	Very low	34.8	Very low	97 Å²	97	131.4 Å²	131.4	63%	0.63	66%	0.663	S	S	*	*	S	Bend		-112.2	128.8	90.8	10.6	4.7	0	0	0	110.9	I34	P32-I34 PolarHBondContact O-N 2.81Å
33	R	28.5	Very low	34.6	Very low	221 Å²	221	128.5 Å²	128.5	83%	0.834	66%	0.663	S	S	*	*			trans	-40.8	113.8	-179.1	-63.3	170.8	175.6	179.3	-3.3	112.4	V31	V31-R33 HydrophobicContact CG1-CB 4.43Å; V31-R33 HydrophobicContact CG1-CG 3.67Å; V31-R33 VanDerWaalsContact CG1-N 3.31Å
34	I	30.6	Very low	34.4	Very low	82 Å²	82	134.1 Å²	134.1	42%	0.421	69%	0.688	S	S	.	*			trans	-122.3	126	162.6	-59.4	177.6	0	0	0	107.3	P32 V402	P32-I34 PolarHBondContact O-N 2.81Å; I34-V402 HydrophobicContact CD1-CG1 3.5Å
35	W	28	Very low	34	Very low	223 Å²	223	138.2 Å²	138.2	85%	0.845	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-81.2	134.3	-176.1	-76	78.4	0	0	0	110.6
36	F	29.5	Very low	33.6	Very low	153 Å²	153	137 Å²	137	67%	0.671	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-96.8	119.3	162.8	-70.2	-81.9	0	0	0	108.8
37	T	29.6	Very low	33.5	Very low	136 Å²	136	141 Å²	141	83%	0.834	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-75.1	119.9	164.3	47.3	0	0	0	0	109.1
38	K	28.8	Very low	33.5	Very low	201 Å²	201	141.5 Å²	141.5	87%	0.874	74%	0.743	S	S	*	*			trans	-86.8	111.6	174.9	-169.5	-176.7	-174.5	-174.3	0	108.5
39	N	34	Very low	33.4	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	75%	0.753	S	S	*	*			trans	-102.9	137.2	161.3	-84.4	-14	0	0	0	109.8
40	S	29.8	Very low	32.9	Very low	121 Å²	121	149.2 Å²	149.2	85%	0.846	77%	0.772	S	S	*	*			trans	-75.4	153.2	-168.6	47.3	0	0	0	0	115.1
41	G	32.2	Very low	32.6	Very low	78 Å²	78	153.5 Å²	153.5	80%	0.804	79%	0.789	S	S	*	*			trans	-169.9	101.5	158.5	0	0	0	0	0	109.8
42	E	32.7	Very low	32.6	Very low	185 Å²	185	156.3 Å²	156.3	86%	0.864	81%	0.806	S	S	*	*			trans	-68.1	143.9	162	-86	166	136.3	0	0	109.6
43	D	37.8	Very low	32.7	Very low	147 Å²	147	158.8 Å²	158.8	79%	0.786	81%	0.812	S	S	*	*			trans	-179.8	119	133.4	-87.8	-15.5	0	0	0	111.9
44	D	37	Very low	32.8	Very low	158 Å²	158	155.1 Å²	155.1	85%	0.845	81%	0.814	S	S	*	*			trans	73.4	146.6	134.1	-63.4	-11.9	0	0	0	126.2
45	D	33.3	Very low	32.8	Very low	136 Å²	136	162.5 Å²	162.5	73%	0.727	84%	0.837	S	S	*	*			trans	-118.7	131.6	-152.6	176.8	23.3	0	0	0	110.4
46	V	37.2	Very low	33	Very low	145 Å²	145	157.7 Å²	157.7	88%	0.879	84%	0.837	S	S	*	*			trans	-153	109.5	159.5	-173.5	0	0	0	0	112.4
47	T	35	Very low	33	Very low	118 Å²	118	158.4 Å²	158.4	72%	0.724	85%	0.845	S	S	*	*			trans	-78.1	147.5	162.5	33	0	0	0	0	114.5
48	K	37.3	Very low	33.2	Very low	211 Å²	211	159.6 Å²	159.6	92%	0.917	85%	0.846	S	S	*	*			trans	-159.9	125.1	144.6	-109.9	171.9	-172	177.9	0	113.2
49	K	35.1	Very low	33.5	Very low	206 Å²	206	154.9 Å²	154.9	90%	0.896	84%	0.844	S	S	*	*			trans	-88.6	151.7	172.6	-83.7	177.8	173.7	174.8	0	111.3
50	N	36	Very low	33.8	Very low	168 Å²	168	155 Å²	155	90%	0.898	85%	0.845	S	S	*	*			trans	-141.2	129.8	154.6	-91.9	-21	0	0	0	110.5
51	Q	31.6	Very low	34.4	Very low	193 Å²	193	158.9 Å²	158.9	90%	0.902	85%	0.85	S	S	*	*			trans	-129	135.1	166.4	-86.5	-173.3	-27.2	0	0	107.6
52	V	31.7	Very low	34.7	Very low	148 Å²	148	163.6 Å²	163.6	90%	0.897	85%	0.851	S	S	*	*			trans	-144.1	142.9	161.5	-178.7	0	0	0	0	110.3
53	I	29.9	Very low	35	Very low	149 Å²	149	160.3 Å²	160.3	76%	0.764	85%	0.849	S	S	*	*			trans	-91	151.7	-167.2	-65.2	158.2	0	0	0	111.8
54	V	32.3	Very low	35.2	Very low	144 Å²	144	159.1 Å²	159.1	87%	0.873	84%	0.842	S	S	*	*			trans	-117.5	135	167.2	-179.4	0	0	0	0	110.5
55	R	30	Very low	35.6	Very low	237 Å²	237	160.6 Å²	160.6	89%	0.894	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-101.9	161.3	178.5	-74.5	-175	177.3	-164.4	-0.1	112.2
56	S	31.2	Very low	36.1	Very low	123 Å²	123	157.8 Å²	157.8	86%	0.86	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-84.9	167.7	-171.4	78.6	0	0	0	0	116.6
57	M	30.9	Very low	36.5	Very low	167 Å²	167	154.7 Å²	154.7	82%	0.823	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-70.7	158.6	-177	-62.6	166	71.9	0	0	115.5
58	N	33.4	Very low	37.7	Very low	162 Å²	162	158 Å²	158	87%	0.866	83%	0.83	S	S	*	*				-177.3	135.7	121.2	-89.4	-14	0	0	0	110.5
59	A	35.8	Very low	38.4	Very low	101 Å²	101	152.8 Å²	152.8	84%	0.835	82%	0.818	S	S	*	*			trans	-173.4	125.2	145.7	0	0	0	0	0	110.1
60	D	38.6	Very low	39.5	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	81%	0.809	S	S	*	*			trans	-61.5	146.2	177.7	-57.9	-66.5	0	0	0	113.8
61	Q	42.7	Very low	40.6	Very low	202 Å²	202	147.1 Å²	147.1	94%	0.944	79%	0.792	S	S	*	*			trans	-159.4	129.5	138.2	-122.3	169.4	-24.6	0	0	112.3
62	Q	38.7	Very low	41.8	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	77%	0.768	S	S	*	*			trans	-86.6	142.4	-176.2	-124	170.4	-14.9	0	0	111.3
63	S	39.6	Very low	43.2	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	75%	0.753	S	S	*	*			trans	-156.5	133.5	140.1	67.8	0	0	0	0	110.8
64	D	43	Very low	44.7	Very low	122 Å²	122	139.8 Å²	139.8	65%	0.652	74%	0.742	S	S	*	*			trans	-59.7	162.7	176.6	-58.9	-59.6	0	0	0	112.3
65	E	44.9	Very low	46	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	72%	0.716	S	S	*	*			cis	-164.9	156.2	48	-70.9	175.4	153.7	0	0	109.4
66	G	42.4	Very low	47.4	Very low	76 Å²	76	130.3 Å²	130.3	78%	0.784	70%	0.701	S	S	*	*			trans	101.8	66.4	159	0	0	0	0	0	118.1
67	C	46.7	Very low	49	Very low	81 Å²	81	128.1 Å²	128.1	55%	0.547	69%	0.69	S	S	.	*	S	Bend	trans	-165.3	133.2	152	-138.1	0	0	0	0	111.2
68	W	59	Low	50.4	Low	186 Å²	186	123.3 Å²	123.3	71%	0.705	67%	0.665	S	S	*	*			trans	-11.1	111.6	173.8	-68.8	80.2	0	0	0	115.2	E70 L71 K72	W68-E70 PolarHBondContact O-N 3.18Å; W68-L71 HydrophobicContact CB-CB 4.05Å; W68-L71 PolarHBondContact O-N 3.17Å; W68-K72 PolarHBondContact O-N 2.99Å
69	P	52.8	Low	51.8	Low	102 Å²	102	119.6 Å²	119.6	66%	0.662	65%	0.648	S	S	*	*	H	α-helix	trans	-54.1	-32.5	-175.8	-23.9	31.8	0	0	0	113.3	E73	P69-E73 PolarHBondContact O-N 3.32Å
70	E	58.2	Low	53.1	Low	153 Å²	153	121.3 Å²	121.3	72%	0.715	64%	0.642	S	S	*	*	H	α-helix	trans	-77.7	-32.4	-178.2	-67	142.9	171.5	0	0	113	W68 F74	W68-E70 PolarHBondContact O-N 3.18Å; E70-F74 PolarHBondContact O-N 3.37Å
71	L	59.7	Low	54.2	Low	103 Å²	103	119.6 Å²	119.6	54%	0.539	63%	0.629	S	S	.	*	H	α-helix	trans	-81.7	-31.4	176.1	-157.3	76.7	0	0	0	111.5	W68 F74 C75	W68-L71 HydrophobicContact CB-CB 4.05Å; W68-L71 PolarHBondContact O-N 3.17Å; L71-F74 PolarHBondContact O-N 3.18Å; L71-C75 WeakPolarHBondContact O-CB 3.14Å; L71-C75 PolarHBondContact O-N 3.23Å
72	K	56.6	Low	55.3	Low	90 Å²	90	112.4 Å²	112.4	39%	0.391	60%	0.6	S	S	.	*	H	α-helix	trans	-68.7	-36.8	177.7	-155.6	176.5	-174.1	-178.9	0	111.5	W68 K76	W68-K72 PolarHBondContact O-N 2.99Å; K72-K76 VanDerWaalsContact O-CB 3.24Å; K72-K76 WeakPolarHBondContact O-CB 3.14Å; K72-K76 WeakPolarHBondContact O-CG 3.31Å; K72-K76 PolarHBondContact O-N 3.36Å
73	E	60.1	Low	56.8	Low	127 Å²	127	107.1 Å²	107.1	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-68	-42.7	171.6	-81.8	-67.7	126.5	0	0	111.9	P69 K76 A77	P69-E73 PolarHBondContact O-N 3.32Å; E73-K76 PolarHBondContact O-N 3.1Å; E73-A77 WeakPolarHBondContact O-CB 3.44Å; E73-A77 PolarHBondContact O-N 3.03Å
74	F	62.6	Low	58.6	Low	118 Å²	118	105 Å²	105	52%	0.518	57%	0.565	S	S	.	*	H	α-helix	trans	-62	-48.4	176	-171.2	-94.5	0	0	0	112.1	E70 L71 K76 A77 H78	E70-F74 PolarHBondContact O-N 3.37Å; L71-F74 PolarHBondContact O-N 3.18Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.68Å; F74-A77 PolarHBondContact O-N 3.45Å; F74-H78 WeakPolarHBondContact O-CB 3.48Å; F74-H78 PolarHBondContact O-N 2.98Å
75	C	59	Low	60.3	Low	49 Å²	49	105.9 Å²	105.9	33%	0.331	56%	0.563	S	S	.	*	H	α-helix	trans	-68.4	-28.5	177.4	-73.4	0	0	0	0	112.9	L71 H78 V79	L71-C75 WeakPolarHBondContact O-CB 3.14Å; L71-C75 PolarHBondContact O-N 3.23Å; C75-H78 CarbonylContact O-C 3.4Å; C75-V79 VanDerWaalsContact O-CA 3.24Å; C75-V79 WeakPolarHBondContact O-CA 3.29Å; C75-V79 WeakPolarHBondContact O-CG2 3.36Å; C75-V79 PolarHBondContact O-N 2.87Å
76	K	60.3	Low	62.1	Low	134 Å²	134	98.4 Å²	98.4	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-72.1	-39.6	172.8	-88.8	-177.2	173	-175.4	0	112.6	K72 E73 F74 H78	K72-K76 VanDerWaalsContact O-CB 3.24Å; K72-K76 WeakPolarHBondContact O-CB 3.14Å; K72-K76 WeakPolarHBondContact O-CG 3.31Å; K72-K76 PolarHBondContact O-N 3.36Å; E73-K76 PolarHBondContact O-N 3.1Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.68Å; K76-H78 VanDerWaalsContact C-N 3.27Å; K76-H78 PolarHBondContact O-N 3.16Å
77	A	63.2	Low	64.1	Low	76 Å²	76	100.5 Å²	100.5	63%	0.628	53%	0.53	S	S	*	.	H	α-helix	trans	-69.8	-27.2	176.2	0	0	0	0	0	112.2	E73 F74	E73-A77 WeakPolarHBondContact O-CB 3.44Å; E73-A77 PolarHBondContact O-N 3.03Å; F74-A77 PolarHBondContact O-N 3.45Å
78	H	61.2	Low	66	Low	67 Å²	67	103.6 Å²	103.6	31%	0.31	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	31.7	-173.5	-70.1	-85.8	0	0	0	113.7	F74 C75 K76 I80 E81 C82	F74-H78 WeakPolarHBondContact O-CB 3.48Å; F74-H78 PolarHBondContact O-N 2.98Å; C75-H78 CarbonylContact O-C 3.4Å; K76-H78 VanDerWaalsContact C-N 3.27Å; K76-H78 PolarHBondContact O-N 3.16Å; H78-I80 PolarHBondContact O-N 3.16Å; H78-I80 VanDerWaalsContact O-N 3.09Å; H78-E81 HydrophobicContact CB-CB 4.19Å; H78-E81 IonicContact CE1-OE2 2.7Å; H78-E81 IonicContact CG-OE2 3.34Å; H78-E81 IonicContact ND1-OE1 2.82Å; H78-E81 IonicContact ND1-OE2 2.81Å; H78-E81 PolarHBondContact ND1-OE2 3.25Å; H78-E81 PolarHBondContact O-N 3.34Å; H78-C82 PolarHBondContact O-N 3.4Å
79	V	61.6	Low	67.3	Low	83 Å²	83	98.4 Å²	98.4	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-50.3	-41.4	-178.2	172.1	0	0	0	0	111.8	C75 S83	C75-V79 VanDerWaalsContact O-CA 3.24Å; C75-V79 WeakPolarHBondContact O-CA 3.29Å; C75-V79 WeakPolarHBondContact O-CG2 3.36Å; C75-V79 PolarHBondContact O-N 2.87Å; V79-S83 WeakPolarHBondContact O-CB 3.26Å; V79-S83 PolarHBondContact O-N 2.93Å; V79-S83 PolarHBondContact O-OG 3.2Å
80	I	63	Low	69	Low	137 Å²	137	99.3 Å²	99.3	70%	0.703	52%	0.518	S	S	*	.	H	α-helix	trans	-67.1	-42.9	179.1	-62.4	176	0	0	0	110.7	H78 S83 V84	H78-I80 PolarHBondContact O-N 3.16Å; H78-I80 VanDerWaalsContact O-N 3.09Å; I80-S83 PolarHBondContact O-N 3.17Å; I80-V84 VanDerWaalsContact O-CG2 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.46Å; I80-V84 PolarHBondContact O-N 3.35Å
81	E	62.1	Low	70.4	Confident	123 Å²	123	98.1 Å²	98.1	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-71.7	-37.4	-178.7	-62.8	179.8	-177.4	0	0	112.3	H78 V84 F85	H78-E81 HydrophobicContact CB-CB 4.19Å; H78-E81 IonicContact CE1-OE2 2.7Å; H78-E81 IonicContact CG-OE2 3.34Å; H78-E81 IonicContact ND1-OE1 2.82Å; H78-E81 IonicContact ND1-OE2 2.81Å; H78-E81 PolarHBondContact ND1-OE2 3.25Å; H78-E81 PolarHBondContact O-N 3.34Å; E81-V84 PolarHBondContact O-N 3.19Å; E81-F85 WeakPolarHBondContact O-CB 3.31Å; E81-F85 PolarHBondContact O-N 3.05Å
82	C	65.6	Low	71.8	Confident	51 Å²	51	94.5 Å²	94.5	35%	0.345	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-37	173.2	-72.2	0	0	0	0	112.4	H78 F85 G86	H78-C82 PolarHBondContact O-N 3.4Å; C82-F85 PolarHBondContact O-N 3.18Å; C82-G86 PolarHBondContact O-N 2.81Å
83	S	71.9	Confident	73.2	Confident	66 Å²	66	96.9 Å²	96.9	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-66.1	-43.1	176.2	-56.1	0	0	0	0	111.6	V79 I80 G86 L87	V79-S83 WeakPolarHBondContact O-CB 3.26Å; V79-S83 PolarHBondContact O-N 2.93Å; V79-S83 PolarHBondContact O-OG 3.2Å; I80-S83 PolarHBondContact O-N 3.17Å; S83-G86 PolarHBondContact O-N 3.25Å; S83-L87 PolarHBondContact O-N 3.49Å
84	V	76.6	Confident	74.3	Confident	71 Å²	71	97 Å²	97	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-43	175.8	171.1	0	0	0	0	110.6	I80 E81 L87 F88	I80-V84 VanDerWaalsContact O-CG2 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.46Å; I80-V84 PolarHBondContact O-N 3.35Å; E81-V84 PolarHBondContact O-N 3.19Å; V84-L87 PolarHBondContact O-N 3.45Å; V84-F88 HydrophobicContact CG1-CD2 3.81Å; V84-F88 HydrophobicContact CG1-CE2 3.97Å; V84-F88 WeakPolarHBondContact O-CD2 3.43Å; V84-F88 PolarHBondContact O-N 3.06Å
85	F	78.7	Confident	75.3	Confident	141 Å²	141	93.9 Å²	93.9	62%	0.618	50%	0.5	S	S	*	.	H	α-helix	trans	-63.4	-42.2	177	-171.8	-105.2	0	0	0	112.6	E81 C82 L87 F88 I89	E81-F85 WeakPolarHBondContact O-CB 3.31Å; E81-F85 PolarHBondContact O-N 3.05Å; C82-F85 PolarHBondContact O-N 3.18Å; F85-L87 PolarHBondContact O-N 3.5Å; F85-F88 PolarHBondContact O-N 3.21Å; F85-I89 HydrophobicContact CD1-CD1 3.91Å; F85-I89 HydrophobicContact CE1-CD1 3.35Å; F85-I89 HydrophobicContact CE1-CG1 4.2Å; F85-I89 HydrophobicContact CZ-CD1 3.78Å; F85-I89 HydrophobicContact CZ-CG1 4.36Å; F85-I89 PolarHBondContact O-N 3.13Å
86	G	83	Confident	76.4	Confident	33 Å²	33	96.3 Å²	96.3	34%	0.34	51%	0.509	S	S	.	.	H	α-helix	trans	-61.5	-41	174.4	0	0	0	0	0	113.1	C82 S83 I89 L90	C82-G86 PolarHBondContact O-N 2.81Å; S83-G86 PolarHBondContact O-N 3.25Å; G86-I89 PolarHBondContact O-N 3.25Å; G86-L90 PolarHBondContact O-N 3Å
87	L	85	Confident	77.3	Confident	120 Å²	120	96.2 Å²	96.2	63%	0.628	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-40.8	173.2	-98.7	154.8	0	0	0	112.4	S83 V84 F85 L90 F91	S83-L87 PolarHBondContact O-N 3.49Å; V84-L87 PolarHBondContact O-N 3.45Å; F85-L87 PolarHBondContact O-N 3.5Å; L87-L90 PolarHBondContact O-N 3.37Å; L87-F91 VanDerWaalsContact O-CB 3.31Å; L87-F91 WeakPolarHBondContact O-CB 3.28Å; L87-F91 PolarHBondContact O-N 2.85Å
88	F	85.7	Confident	77.8	Confident	145 Å²	145	94.7 Å²	94.7	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-40.4	175	-100	-82	0	0	0	112.2	V84 F85 G92	V84-F88 HydrophobicContact CG1-CD2 3.81Å; V84-F88 HydrophobicContact CG1-CE2 3.97Å; V84-F88 WeakPolarHBondContact O-CD2 3.43Å; V84-F88 PolarHBondContact O-N 3.06Å; F85-F88 PolarHBondContact O-N 3.21Å; F88-G92 PolarHBondContact O-N 2.93Å
89	I	86.8	Confident	78.3	Confident	77 Å²	77	94.7 Å²	94.7	40%	0.395	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-46	175	-72.2	-176.2	0	0	0	110.8	F85 G86 F91 G92 F93	F85-I89 HydrophobicContact CD1-CD1 3.91Å; F85-I89 HydrophobicContact CE1-CD1 3.35Å; F85-I89 HydrophobicContact CE1-CG1 4.2Å; F85-I89 HydrophobicContact CZ-CD1 3.78Å; F85-I89 HydrophobicContact CZ-CG1 4.36Å; F85-I89 PolarHBondContact O-N 3.13Å; G86-I89 PolarHBondContact O-N 3.25Å; I89-F91 PolarHBondContact O-N 3.1Å; I89-G92 PolarHBondContact O-N 3.25Å; I89-F93 HydrophobicContact CG2-CD2 3.58Å; I89-F93 HydrophobicContact CG2-CE2 3.57Å; I89-F93 VanDerWaalsContact O-CD2 3.3Å; I89-F93 WeakPolarHBondContact O-CD2 3.33Å; I89-F93 PolarHBondContact O-N 3.44Å
90	L	87.9	Confident	78.5	Confident	121 Å²	121	97.9 Å²	97.9	63%	0.634	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-41.8	176.8	-81.9	166.9	0	0	0	112.3	G86 L87 F93 F94	G86-L90 PolarHBondContact O-N 3Å; L87-L90 PolarHBondContact O-N 3.37Å; L90-F93 PolarHBondContact O-N 2.89Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 3.03Å
91	F	88	Confident	78.6	Confident	128 Å²	128	94.2 Å²	94.2	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-65.4	-40.6	174.3	-174.9	-102.1	0	0	0	111.4	L87 I89 F94 C95	L87-F91 VanDerWaalsContact O-CB 3.31Å; L87-F91 WeakPolarHBondContact O-CB 3.28Å; L87-F91 PolarHBondContact O-N 2.85Å; I89-F91 PolarHBondContact O-N 3.1Å; F91-F94 PolarHBondContact O-N 3.23Å; F91-C95 WeakPolarHBondContact CE1-SG 3.45Å; F91-C95 VanDerWaalsContact CZ-SG 3.56Å; F91-C95 WeakPolarHBondContact O-CB 3.48Å; F91-C95 PolarHBondContact O-N 2.92Å; F91-C95 PolarHBondContact O-SG 3.17Å; F91-C95 VanDerWaalsContact O-SG 3.37Å
92	G	88.1	Confident	78.3	Confident	27 Å²	27	93 Å²	93	28%	0.278	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-47.6	173.2	0	0	0	0	0	112.4	F88 I89 C95 I96	F88-G92 PolarHBondContact O-N 2.93Å; I89-G92 PolarHBondContact O-N 3.25Å; G92-C95 PolarHBondContact O-N 3.06Å; G92-I96 WeakPolarHBondContact O-CB 3.35Å; G92-I96 VanDerWaalsContact O-CG1 3.23Å; G92-I96 WeakPolarHBondContact O-CG1 3.37Å; G92-I96 PolarHBondContact O-N 3.21Å
93	F	86.8	Confident	78.1	Confident	141 Å²	141	92.8 Å²	92.8	62%	0.618	50%	0.496	S	S	*	.	H	α-helix	trans	-62.8	-40.5	173.5	-86	-70	0	0	0	112.1	I89 L90 I96 F97	I89-F93 HydrophobicContact CG2-CD2 3.58Å; I89-F93 HydrophobicContact CG2-CE2 3.57Å; I89-F93 VanDerWaalsContact O-CD2 3.3Å; I89-F93 WeakPolarHBondContact O-CD2 3.33Å; I89-F93 PolarHBondContact O-N 3.44Å; L90-F93 PolarHBondContact O-N 2.89Å; F93-I96 PolarHBondContact O-N 2.77Å; F93-F97 WeakPolarHBondContact O-CB 3.4Å; F93-F97 PolarHBondContact O-N 2.03Å
94	F	83.8	Confident	77.3	Confident	128 Å²	128	97.5 Å²	97.5	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-63.6	-44.1	175.3	179.8	-98.6	0	0	0	111.5	L90 F91 F97 N98	L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 3.03Å; F91-F94 PolarHBondContact O-N 3.23Å; F94-F97 PolarHBondContact O-N 3.01Å; F94-N98 VanDerWaalsContact CD1-ND2 3.34Å; F94-N98 WeakPolarHBondContact CD1-ND2 3.07Å; F94-N98 VanDerWaalsContact CD2-ND2 3.34Å; F94-N98 WeakPolarHBondContact CD2-ND2 3.4Å; F94-N98 WeakPolarHBondContact CE1-ND2 2.97Å; F94-N98 WeakPolarHBondContact CE2-ND2 2.89Å; F94-N98 WeakPolarHBondContact CG-ND2 3.34Å; F94-N98 WeakPolarHBondContact CZ-ND2 3.49Å; F94-N98 VanDerWaalsContact O-CB 3.3Å; F94-N98 WeakPolarHBondContact O-CB 3.43Å; F94-N98 PolarHBondContact O-N 2.67Å; F94-N98 PolarHBondContact O-ND2 2.83Å
95	C	83.4	Confident	76.1	Confident	54 Å²	54	98.5 Å²	98.5	37%	0.365	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-42.5	175.9	-73.8	0	0	0	0	112.1	F91 G92 A99	F91-C95 WeakPolarHBondContact CE1-SG 3.45Å; F91-C95 VanDerWaalsContact CZ-SG 3.56Å; F91-C95 WeakPolarHBondContact O-CB 3.48Å; F91-C95 PolarHBondContact O-N 2.92Å; F91-C95 PolarHBondContact O-SG 3.17Å; F91-C95 VanDerWaalsContact O-SG 3.37Å; G92-C95 PolarHBondContact O-N 3.06Å; C95-A99 WeakPolarHBondContact O-CB 3.44Å; C95-A99 PolarHBondContact O-N 2.83Å
96	I	81.9	Confident	75.1	Confident	100 Å²	100	93 Å²	93	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-45.2	176.3	-68.6	166.3	0	0	0	110.3	G92 F93 A99 F100	G92-I96 WeakPolarHBondContact O-CB 3.35Å; G92-I96 VanDerWaalsContact O-CG1 3.23Å; G92-I96 WeakPolarHBondContact O-CG1 3.37Å; G92-I96 PolarHBondContact O-N 3.21Å; F93-I96 PolarHBondContact O-N 2.77Å; I96-A99 PolarHBondContact O-N 3.34Å; I96-F100 HydrophobicContact CG2-CD2 4.01Å; I96-F100 WeakPolarHBondContact O-CB 3.31Å; I96-F100 PolarHBondContact O-N 3.48Å
97	F	79.1	Confident	74.2	Confident	131 Å²	131	95 Å²	95	58%	0.575	50%	0.501	S	S	*	.	H	α-helix	trans	-62.4	-45.1	177.5	-173.4	-90.8	0	0	0	110.7	F93 F94 F100 V101	F93-F97 WeakPolarHBondContact O-CB 3.4Å; F93-F97 PolarHBondContact O-N 2.03Å; F94-F97 PolarHBondContact O-N 3.01Å; F97-F100 PolarHBondContact O-N 2.97Å; F97-V101 HydrophobicContact CD1-CB 4.26Å; F97-V101 HydrophobicContact CD1-CG2 4.01Å; F97-V101 HydrophobicContact CD2-CG2 3.77Å; F97-V101 HydrophobicContact CE1-CB 4.1Å; F97-V101 HydrophobicContact CE1-CG1 4.25Å; F97-V101 HydrophobicContact CE1-CG2 3.87Å; F97-V101 HydrophobicContact CE2-CG2 3.63Å; F97-V101 HydrophobicContact CG-CG2 3.97Å; F97-V101 HydrophobicContact CZ-CB 4.34Å; F97-V101 HydrophobicContact CZ-CG1 4.36Å; F97-V101 HydrophobicContact CZ-CG2 3.68Å; F97-V101 WeakPolarHBondContact O-CA 3.45Å; F97-V101 WeakPolarHBondContact O-CB 3.24Å; F97-V101 VanDerWaalsContact O-CG2 3.26Å; F97-V101 WeakPolarHBondContact O-CG2 3.39Å; F97-V101 PolarHBondContact O-N 3.2Å
98	N	74	Confident	73.7	Confident	44 Å²	44	93.8 Å²	93.8	24%	0.235	50%	0.495	C	S	.	.	I	π-helix	trans	-64.6	-43.8	174.1	-79.9	-71.7	0	0	0	111.5	F94 F100 L102	F94-N98 VanDerWaalsContact CD1-ND2 3.34Å; F94-N98 WeakPolarHBondContact CD1-ND2 3.07Å; F94-N98 VanDerWaalsContact CD2-ND2 3.34Å; F94-N98 WeakPolarHBondContact CD2-ND2 3.4Å; F94-N98 WeakPolarHBondContact CE1-ND2 2.97Å; F94-N98 WeakPolarHBondContact CE2-ND2 2.89Å; F94-N98 WeakPolarHBondContact CG-ND2 3.34Å; F94-N98 WeakPolarHBondContact CZ-ND2 3.49Å; F94-N98 VanDerWaalsContact O-CB 3.3Å; F94-N98 WeakPolarHBondContact O-CB 3.43Å; F94-N98 PolarHBondContact O-N 2.67Å; F94-N98 PolarHBondContact O-ND2 2.83Å; N98-F100 PolarHBondContact O-N 2.69Å; N98-L102 HydrophobicContact CB-CD1 3.85Å; N98-L102 HydrophobicContact CB-CG 4.46Å; N98-L102 VanDerWaalsContact O-CA 3.31Å; N98-L102 WeakPolarHBondContact O-CA 3.22Å; N98-L102 WeakPolarHBondContact O-CB 3.37Å; N98-L102 WeakPolarHBondContact O-CG 3.46Å; N98-L102 PolarHBondContact O-N 2.79Å; N98-L102 WeakPolarHBondContact OD1-CD1 3.37Å
99	A	71.4	Confident	73.5	Confident	68 Å²	68	93.4 Å²	93.4	56%	0.562	50%	0.495	S	S	*	.	I	π-helix	trans	-64.2	-39.5	178.5	0	0	0	0	0	112.8	C95 I96 G103	C95-A99 WeakPolarHBondContact O-CB 3.44Å; C95-A99 PolarHBondContact O-N 2.83Å; I96-A99 PolarHBondContact O-N 3.34Å; A99-G103 WeakPolarHBondContact O-CA 3.48Å; A99-G103 PolarHBondContact O-N 3.21Å; A99-G103 VanDerWaalsContact O-N 3.08Å
100	F	66.4	Low	73.5	Confident	150 Å²	150	94.8 Å²	94.8	66%	0.658	50%	0.503	S	S	*	.	I	π-helix	trans	-81.2	-45.6	179.1	-96.6	-91.5	0	0	0	112.7	I96 F97 N98 F104	I96-F100 HydrophobicContact CG2-CD2 4.01Å; I96-F100 WeakPolarHBondContact O-CB 3.31Å; I96-F100 PolarHBondContact O-N 3.48Å; F97-F100 PolarHBondContact O-N 2.97Å; N98-F100 PolarHBondContact O-N 2.69Å; F100-F104 WeakPolarHBondContact O-CB 3.42Å; F100-F104 PolarHBondContact O-N 3.25Å
101	V	64.1	Low	73.4	Confident	59 Å²	59	93.2 Å²	93.2	36%	0.358	50%	0.499	S	S	.	.	I	π-helix	trans	-78.7	-46	-176.7	-178.6	0	0	0	0	111.2	F97 G103 F104 L105	F97-V101 HydrophobicContact CD1-CB 4.26Å; F97-V101 HydrophobicContact CD1-CG2 4.01Å; F97-V101 HydrophobicContact CD2-CG2 3.77Å; F97-V101 HydrophobicContact CE1-CB 4.1Å; F97-V101 HydrophobicContact CE1-CG1 4.25Å; F97-V101 HydrophobicContact CE1-CG2 3.87Å; F97-V101 HydrophobicContact CE2-CG2 3.63Å; F97-V101 HydrophobicContact CG-CG2 3.97Å; F97-V101 HydrophobicContact CZ-CB 4.34Å; F97-V101 HydrophobicContact CZ-CG1 4.36Å; F97-V101 HydrophobicContact CZ-CG2 3.68Å; F97-V101 WeakPolarHBondContact O-CA 3.45Å; F97-V101 WeakPolarHBondContact O-CB 3.24Å; F97-V101 VanDerWaalsContact O-CG2 3.26Å; F97-V101 WeakPolarHBondContact O-CG2 3.39Å; F97-V101 PolarHBondContact O-N 3.2Å; V101-G103 VanDerWaalsContact C-N 3.34Å; V101-F104 PolarHBondContact O-N 2.84Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.46Å; V101-L105 VanDerWaalsContact O-N 3.09Å
102	L	57.1	Low	73.5	Confident	99 Å²	99	93.1 Å²	93.1	52%	0.518	50%	0.503	S	S	.	.	I	π-helix	trans	-71.3	-32.4	171.8	-57.4	167.9	0	0	0	111.3	N98 F104 L105 G106	N98-L102 HydrophobicContact CB-CD1 3.85Å; N98-L102 HydrophobicContact CB-CG 4.46Å; N98-L102 VanDerWaalsContact O-CA 3.31Å; N98-L102 WeakPolarHBondContact O-CA 3.22Å; N98-L102 WeakPolarHBondContact O-CB 3.37Å; N98-L102 WeakPolarHBondContact O-CG 3.46Å; N98-L102 PolarHBondContact O-N 2.79Å; N98-L102 WeakPolarHBondContact OD1-CD1 3.37Å; L102-F104 VanDerWaalsContact C-N 3.26Å; L102-F104 PolarHBondContact O-N 2.87Å; L102-L105 HydrophobicContact CD2-CD1 4.22Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-L105 VanDerWaalsContact O-N 3.08Å; L102-G106 PolarHBondContact O-N 3.39Å
103	G	59.6	Low	73.7	Confident	45 Å²	45	95.2 Å²	95.2	46%	0.464	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-31.9	171.4	0	0	0	0	0	113.1	A99 V101 P107	A99-G103 WeakPolarHBondContact O-CA 3.48Å; A99-G103 PolarHBondContact O-N 3.21Å; A99-G103 VanDerWaalsContact O-N 3.08Å; V101-G103 VanDerWaalsContact C-N 3.34Å; G103-P107 WeakPolarHBondContact O-CD 3.1Å
104	F	55.4	Low	74	Confident	166 Å²	166	90.7 Å²	90.7	73%	0.728	49%	0.485	S	S	*	.	H	α-helix	trans	-76.3	-26.3	170.8	-119.1	-91.2	0	0	0	113.4	F100 V101 L102	F100-F104 WeakPolarHBondContact O-CB 3.42Å; F100-F104 PolarHBondContact O-N 3.25Å; V101-F104 PolarHBondContact O-N 2.84Å; L102-F104 VanDerWaalsContact C-N 3.26Å; L102-F104 PolarHBondContact O-N 2.87Å
105	L	52.1	Low	74.4	Confident	91 Å²	91	87.5 Å²	87.5	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-80.5	-26.9	175.8	-69.3	169.8	0	0	0	112.9	V101 L102 N108 E109	V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.46Å; V101-L105 VanDerWaalsContact O-N 3.09Å; L102-L105 HydrophobicContact CD2-CD1 4.22Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-L105 VanDerWaalsContact O-N 3.08Å; L105-N108 WeakPolarHBondContact O-CB 3.38Å; L105-N108 PolarHBondContact O-N 3.46Å; L105-E109 PolarHBondContact O-N 2.62Å
106	G	57.7	Low	75	Confident	26 Å²	26	91.3 Å²	91.3	27%	0.268	49%	0.486	S	S	.	.	H	α-helix	trans	-55.9	-45	179.5	0	0	0	0	0	115.2	L102 N108 E109 L110	L102-G106 PolarHBondContact O-N 3.39Å; G106-N108 VanDerWaalsContact C-N 3.28Å; G106-N108 PolarHBondContact O-N 3.46Å; G106-E109 PolarHBondContact O-N 2.62Å; G106-L110 PolarHBondContact O-N 3.5Å; G106-L110 VanDerWaalsContact O-N 3.15Å
107	P	63.6	Low	75.6	Confident	75 Å²	75	86.7 Å²	86.7	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-35.8	173.6	-25.3	33.4	0	0	0	113.2	G103 T111	G103-P107 WeakPolarHBondContact O-CD 3.1Å; P107-T111 WeakPolarHBondContact O-CB 3.48Å; P107-T111 PolarHBondContact O-N 3.39Å; P107-T111 PolarHBondContact O-OG1 3.39Å
108	N	75.7	Confident	76.4	Confident	95 Å²	95	83.8 Å²	83.8	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-70.4	-40.6	177.5	-70.9	-17	0	0	0	111.1	L105 G106 T111 L112	L105-N108 WeakPolarHBondContact O-CB 3.38Å; L105-N108 PolarHBondContact O-N 3.46Å; G106-N108 VanDerWaalsContact C-N 3.28Å; G106-N108 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-N 3.05Å; N108-L112 WeakPolarHBondContact O-CB 3.4Å; N108-L112 WeakPolarHBondContact O-CD1 3.49Å; N108-L112 WeakPolarHBondContact O-CG 3.11Å; N108-L112 PolarHBondContact O-N 3.43Å
109	E	81.6	Confident	77.3	Confident	137 Å²	137	88 Å²	88	64%	0.64	47%	0.467	S	S	*	.	H	α-helix	trans	-62.9	-47.6	178.7	-171.9	-179.7	174.9	0	0	112.2	L105 G106 T111 L112 R113	L105-E109 PolarHBondContact O-N 2.62Å; G106-E109 PolarHBondContact O-N 2.62Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 2.77Å; E109-L112 PolarHBondContact O-N 2.91Å; E109-R113 VanDerWaalsContact O-CB 3.32Å; E109-R113 WeakPolarHBondContact O-CB 3.43Å; E109-R113 PolarHBondContact O-N 3.08Å
110	L	85.1	Confident	78.3	Confident	106 Å²	106	86.2 Å²	86.2	56%	0.555	45%	0.447	S	S	*	.	H	α-helix	trans	-63.5	-38.9	177.8	-72.8	173.6	0	0	0	112.1	G106 N114 M379	G106-L110 PolarHBondContact O-N 3.5Å; G106-L110 VanDerWaalsContact O-N 3.15Å; L110-N114 WeakPolarHBondContact O-CB 3.36Å; L110-N114 PolarHBondContact O-N 3.35Å; L110-M379 WeakPolarHBondContact O-CE 3.33Å
111	T	86.9	Confident	79.5	Confident	88 Å²	88	79 Å²	79	54%	0.54	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-47.1	177.1	-56.3	0	0	0	0	110.6	P107 N108 E109 R113 N114 S115	P107-T111 WeakPolarHBondContact O-CB 3.48Å; P107-T111 PolarHBondContact O-N 3.39Å; P107-T111 PolarHBondContact O-OG1 3.39Å; N108-T111 PolarHBondContact O-N 3.05Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 2.77Å; T111-R113 PolarHBondContact O-N 3.1Å; T111-N114 PolarHBondContact O-N 2.85Å; T111-S115 PolarHBondContact O-N 3.42Å; T111-S115 PolarHBondContact O-OG 3.47Å
112	L	90.1	Very high	80.8	Confident	125 Å²	125	78.4 Å²	78.4	65%	0.654	41%	0.41	S	S	*	.	H	α-helix	trans	-60.1	-44.9	176.8	-73.9	168.1	0	0	0	111.8	N108 E109 N114 S115 Y116	N108-L112 WeakPolarHBondContact O-CB 3.4Å; N108-L112 WeakPolarHBondContact O-CD1 3.49Å; N108-L112 WeakPolarHBondContact O-CG 3.11Å; N108-L112 PolarHBondContact O-N 3.43Å; E109-L112 PolarHBondContact O-N 2.91Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 2.93Å; L112-S115 PolarHBondContact O-N 2.89Å; L112-Y116 WeakPolarHBondContact O-CB 3.26Å; L112-Y116 PolarHBondContact O-N 3.46Å
113	R	91.8	Very high	82.5	Confident	72 Å²	72	78.4 Å²	78.4	27%	0.272	41%	0.407	S	S	.	.	H	α-helix	trans	-66	-36.1	177.8	-178.4	179.8	-176.2	-129	2	111.4	E109 T111 Y116 Y117 M379 D383 E386	E109-R113 VanDerWaalsContact O-CB 3.32Å; E109-R113 WeakPolarHBondContact O-CB 3.43Å; E109-R113 PolarHBondContact O-N 3.08Å; T111-R113 PolarHBondContact O-N 3.1Å; R113-Y116 WeakPolarHBondContact O-CB 3.46Å; R113-Y116 PolarHBondContact O-N 3Å; R113-Y117 HydrophobicContact CG-CD2 4.04Å; R113-Y117 HydrophobicContact CG-CE2 3.35Å; R113-Y117 VanDerWaalsContact CZ-OH 3.29Å; R113-Y117 PolarHBondContact NE-OH 3.13Å; R113-Y117 PolarHBondContact NH2-OH 2.99Å; R113-Y117 WeakPolarHBondContact O-CD2 3.42Å; R113-Y117 PolarHBondContact O-N 3.4Å; R113-Y117 VanDerWaalsContact O-N 3.13Å; R113-M379 VanDerWaalsContact C-CE 3.5Å; R113-M379 HydrophobicContact CB-CE 3.74Å; R113-M379 HydrophobicContact CB-SD 4.34Å; R113-M379 HydrophobicContact CG-CE 3.71Å; R113-M379 HydrophobicContact CG-SD 3.7Å; R113-M379 PolarHBondContact NH1-SD 3.36Å; R113-D383 IonicContact CZ-OD1 3.72Å; R113-D383 IonicContact NH1-OD1 3.25Å; R113-D383 PolarHBondContact NH1-OD1 3.24Å; R113-D383 IonicContact NH2-OD1 2.97Å; R113-D383 PolarHBondContact NH2-OD1 2.97Å; R113-E386 IonicContact NH2-OE2 3.83Å; R113-E386 PolarHBondContact NH2-OE2 3.15Å
114	N	92.5	Very high	84	Confident	46 Å²	46	76.4 Å²	76.4	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-67.1	-47.5	176	-173	78.2	0	0	0	111.3	L110 T111 L112 Y116 Y117 E118 M379	L110-N114 WeakPolarHBondContact O-CB 3.36Å; L110-N114 PolarHBondContact O-N 3.35Å; T111-N114 PolarHBondContact O-N 2.85Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 2.93Å; N114-Y116 VanDerWaalsContact C-N 3.26Å; N114-Y116 PolarHBondContact O-N 2.84Å; N114-Y117 PolarHBondContact O-N 2.87Å; N114-E118 WeakPolarHBondContact O-CB 3.39Å; N114-E118 PolarHBondContact O-N 3.23Å; N114-M379 VanDerWaalsContact CA-CE 3.43Å; N114-M379 HydrophobicContact CB-CE 3.55Å; N114-M379 PolarHBondContact OD1-N 2.86Å
115	S	93.7	Very high	85.8	Confident	61 Å²	61	68.6 Å²	68.6	43%	0.427	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-34.2	175.5	-63.4	0	0	0	0	112.4	T111 L112 K119	T111-S115 PolarHBondContact O-N 3.42Å; T111-S115 PolarHBondContact O-OG 3.47Å; L112-S115 PolarHBondContact O-N 2.89Å; S115-K119 WeakPolarHBondContact O-CB 3.06Å; S115-K119 PolarHBondContact O-N 3.17Å
116	Y	94.6	Very high	87.7	Confident	133 Å²	133	65.6 Å²	65.6	52%	0.522	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-49.5	173.9	171.3	-105.2	0	0	0	112	L112 R113 N114 K119 M120	L112-Y116 WeakPolarHBondContact O-CB 3.26Å; L112-Y116 PolarHBondContact O-N 3.46Å; R113-Y116 WeakPolarHBondContact O-CB 3.46Å; R113-Y116 PolarHBondContact O-N 3Å; N114-Y116 VanDerWaalsContact C-N 3.26Å; N114-Y116 PolarHBondContact O-N 2.84Å; Y116-K119 PolarHBondContact O-N 3.42Å; Y116-M120 HydrophobicContact CD1-CE 4.26Å; Y116-M120 HydrophobicContact CE1-CE 3.3Å; Y116-M120 HydrophobicContact CE2-CE 4.26Å; Y116-M120 WeakPolarHBondContact O-CB 3.21Å; Y116-M120 PolarHBondContact O-N 2.77Å; Y116-M120 WeakPolarHBondContact OH-CE 3.13Å
117	Y	94.9	Very high	89.4	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-70.3	-33.3	178.8	-64.6	-51.1	0	0	0	113.3	R113 N114 M120 V121 F378 M379 G382 E386	R113-Y117 HydrophobicContact CG-CD2 4.04Å; R113-Y117 HydrophobicContact CG-CE2 3.35Å; R113-Y117 VanDerWaalsContact CZ-OH 3.29Å; R113-Y117 PolarHBondContact NE-OH 3.13Å; R113-Y117 PolarHBondContact NH2-OH 2.99Å; R113-Y117 WeakPolarHBondContact O-CD2 3.42Å; R113-Y117 PolarHBondContact O-N 3.4Å; R113-Y117 VanDerWaalsContact O-N 3.13Å; N114-Y117 PolarHBondContact O-N 2.87Å; Y117-M120 HydrophobicContact CD1-CE 4.37Å; Y117-M120 PolarHBondContact O-N 3.28Å; Y117-V121 WeakPolarHBondContact O-CB 3.48Å; Y117-V121 PolarHBondContact O-N 2.71Å; Y117-F378 VanDerWaalsContact CB-O 3.27Å; Y117-F378 WeakPolarHBondContact CB-O 3.48Å; Y117-F378 WeakPolarHBondContact CD2-O 3.41Å; Y117-M379 HydrophobicContact CD2-SD 4.3Å; Y117-M379 HydrophobicContact CE2-SD 3.97Å; Y117-G382 VanDerWaalsContact CD1-CA 3.49Å; Y117-G382 VanDerWaalsContact CE1-CA 3.5Å; Y117-E386 PolarHBondContact OH-OE1 3.28Å; Y117-E386 PolarHBondContact OH-OE2 3.42Å
118	E	95.1	Very high	90.8	Very high	70 Å²	70	62.1 Å²	62.1	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-51.4	170.8	179.1	169.7	-162	0	0	110.4	N114 M120 V121 I122 F378	N114-E118 WeakPolarHBondContact O-CB 3.39Å; N114-E118 PolarHBondContact O-N 3.23Å; E118-M120 PolarHBondContact O-N 2.79Å; E118-V121 PolarHBondContact O-N 2.9Å; E118-I122 HydrophobicContact CG-CD1 3.8Å; E118-I122 WeakPolarHBondContact O-CB 3.46Å; E118-I122 VanDerWaalsContact O-CG1 3.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.2Å; E118-I122 PolarHBondContact O-N 2.87Å; E118-F378 HydrophobicContact CB-CB 4.11Å; E118-F378 HydrophobicContact CB-CD1 4.15Å; E118-F378 HydrophobicContact CB-CD2 3.52Å; E118-F378 HydrophobicContact CB-CE1 4.48Å; E118-F378 HydrophobicContact CB-CE2 3.88Å; E118-F378 HydrophobicContact CB-CG 3.66Å; E118-F378 HydrophobicContact CB-CZ 4.35Å; E118-F378 HydrophobicContact CG-CD1 4.49Å; E118-F378 HydrophobicContact CG-CD2 3.72Å; E118-F378 HydrophobicContact CG-CE1 4.33Å; E118-F378 HydrophobicContact CG-CE2 3.5Å; E118-F378 HydrophobicContact CG-CG 4.21Å; E118-F378 HydrophobicContact CG-CZ 3.84Å
119	K	93.4	Very high	91.4	Very high	132 Å²	132	61.7 Å²	61.7	57%	0.574	30%	0.301	S	S	*	.	H	α-helix	trans	-58.6	-47.2	176.3	-170.4	-174.7	-175	-149.3	0	111.6	S115 Y116 V121 I122 E123	S115-K119 WeakPolarHBondContact O-CB 3.06Å; S115-K119 PolarHBondContact O-N 3.17Å; Y116-K119 PolarHBondContact O-N 3.42Å; K119-V121 VanDerWaalsContact C-N 3.34Å; K119-V121 PolarHBondContact O-N 2.91Å; K119-I122 PolarHBondContact O-N 3.35Å; K119-E123 WeakPolarHBondContact CE-OE1 3.1Å; K119-E123 HydrophobicContact CG-CG 4.47Å; K119-E123 IonicContact NZ-OE1 2.84Å; K119-E123 PolarHBondContact NZ-OE1 2.73Å; K119-E123 WeakPolarHBondContact O-CB 3.26Å; K119-E123 WeakPolarHBondContact O-CG 3.02Å; K119-E123 PolarHBondContact O-N 2.87Å
120	M	91.8	Very high	91.5	Very high	30 Å²	30	59.9 Å²	59.9	15%	0.148	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-43.7	179.8	-178.5	-170.6	-66.6	0	0	112.3	Y116 Y117 E118 E123 H124 L385	Y116-M120 HydrophobicContact CD1-CE 4.26Å; Y116-M120 HydrophobicContact CE1-CE 3.3Å; Y116-M120 HydrophobicContact CE2-CE 4.26Å; Y116-M120 WeakPolarHBondContact O-CB 3.21Å; Y116-M120 PolarHBondContact O-N 2.77Å; Y116-M120 WeakPolarHBondContact OH-CE 3.13Å; Y117-M120 HydrophobicContact CD1-CE 4.37Å; Y117-M120 PolarHBondContact O-N 3.28Å; E118-M120 PolarHBondContact O-N 2.79Å; M120-E123 PolarHBondContact O-N 2.91Å; M120-H124 WeakPolarHBondContact O-CB 3.48Å; M120-H124 PolarHBondContact O-N 2.73Å; M120-L385 HydrophobicContact SD-CD2 3.44Å; M120-L385 WeakPolarHBondContact SD-CD2 3.41Å
121	V	92.8	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-74.3	-32.8	-178.8	95.3	0	0	0	0	111.5	Y117 E118 K119 H124 C125 V358 V362 F378 F381	Y117-V121 WeakPolarHBondContact O-CB 3.48Å; Y117-V121 PolarHBondContact O-N 2.71Å; E118-V121 PolarHBondContact O-N 2.9Å; K119-V121 VanDerWaalsContact C-N 3.34Å; K119-V121 PolarHBondContact O-N 2.91Å; V121-H124 WeakPolarHBondContact O-CB 3.29Å; V121-H124 PolarHBondContact O-N 3.38Å; V121-C125 PolarHBondContact O-N 2.69Å; V121-C125 VanDerWaalsContact O-N 3.08Å; V121-C125 PolarHBondContact O-SG 3.4Å; V121-V358 HydrophobicContact CG2-CG1 4.47Å; V121-V358 HydrophobicContact CG2-CG2 3.65Å; V121-V362 HydrophobicContact CG1-CB 4.32Å; V121-V362 HydrophobicContact CG1-CG1 3.65Å; V121-V362 HydrophobicContact CG1-CG2 4.19Å; V121-F378 HydrophobicContact CG1-CD1 3.78Å; V121-F378 HydrophobicContact CG1-CE1 3.52Å; V121-F381 HydrophobicContact CB-CD1 4.37Å; V121-F381 HydrophobicContact CB-CE1 3.9Å; V121-F381 HydrophobicContact CB-CZ 4.13Å; V121-F381 HydrophobicContact CG2-CD1 4.31Å; V121-F381 HydrophobicContact CG2-CD2 4.36Å; V121-F381 HydrophobicContact CG2-CE1 3.8Å; V121-F381 HydrophobicContact CG2-CE2 3.84Å; V121-F381 HydrophobicContact CG2-CZ 3.54Å
122	I	92.2	Very high	91.6	Very high	46 Å²	46	59 Å²	59	24%	0.236	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-44.8	172.6	-73	170.9	0	0	0	110.4	E118 K119 H124 C125 Q126 F127	E118-I122 HydrophobicContact CG-CD1 3.8Å; E118-I122 WeakPolarHBondContact O-CB 3.46Å; E118-I122 VanDerWaalsContact O-CG1 3.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.2Å; E118-I122 PolarHBondContact O-N 2.87Å; K119-I122 PolarHBondContact O-N 3.35Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.5Å; I122-C125 PolarHBondContact O-N 2.87Å; I122-C125 VanDerWaalsContact O-N 3.16Å; I122-Q126 PolarHBondContact O-N 2.6Å; I122-F127 HydrophobicContact CG1-CE2 4.47Å; I122-F127 HydrophobicContact CG2-CD2 4.1Å; I122-F127 HydrophobicContact CG2-CE2 4.44Å
123	E	90.8	Very high	91.7	Very high	99 Å²	99	54.7 Å²	54.7	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-39.8	173.1	-74.8	172.9	-177.3	0	0	111	K119 M120 C125 Q126	K119-E123 WeakPolarHBondContact CE-OE1 3.1Å; K119-E123 HydrophobicContact CG-CG 4.47Å; K119-E123 IonicContact NZ-OE1 2.84Å; K119-E123 PolarHBondContact NZ-OE1 2.73Å; K119-E123 WeakPolarHBondContact O-CB 3.26Å; K119-E123 WeakPolarHBondContact O-CG 3.02Å; K119-E123 PolarHBondContact O-N 2.87Å; M120-E123 PolarHBondContact O-N 2.91Å; E123-C125 VanDerWaalsContact C-N 3.29Å; E123-C125 PolarHBondContact O-N 3.16Å; E123-Q126 WeakPolarHBondContact O-CG 3.42Å; E123-Q126 PolarHBondContact O-N 3.02Å
124	H	92	Very high	91.7	Very high	3 Å²	3	57.4 Å²	57.4	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-37.5	174.7	-168.2	105.4	0	0	0	113.4	M120 V121 I122 Q126 R155 W455 Q456 L457 L458	M120-H124 WeakPolarHBondContact O-CB 3.48Å; M120-H124 PolarHBondContact O-N 2.73Å; V121-H124 WeakPolarHBondContact O-CB 3.29Å; V121-H124 PolarHBondContact O-N 3.38Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.5Å; H124-Q126 VanDerWaalsContact C-N 3.28Å; H124-Q126 PolarHBondContact O-N 2.65Å; H124-R155 PolarHBondContact CE1-NH1 3.32Å; H124-R155 VanDerWaalsContact CE1-NH1 3.3Å; H124-R155 PolarHBondContact NE2-NH1 3.41Å; H124-W455 HydrophobicContact CB-CH2 4.37Å; H124-W455 HydrophobicContact CB-CZ3 4.44Å; H124-W455 AromaticContact CD2-CH2 3.51Å; H124-W455 AromaticContact CD2-CZ2 3.84Å; H124-W455 AromaticContact CE1-CD2 3.56Å; H124-W455 AromaticContact CE1-CE2 3.37Å; H124-W455 AromaticContact CE1-CE3 3.5Å; H124-W455 VanDerWaalsContact CE1-CE3 3.5Å; H124-W455 AromaticContact CE1-CH2 3.06Å; H124-W455 WeakPolarHBondContact CE1-CH2 3.05Å; H124-W455 AromaticContact CE1-CZ2 3.15Å; H124-W455 WeakPolarHBondContact CE1-CZ2 3.47Å; H124-W455 AromaticContact CE1-CZ3 3.25Å; H124-W455 WeakPolarHBondContact CE1-CZ3 3.5Å; H124-W455 AromaticContact CG-CH2 3.49Å; H124-W455 VanDerWaalsContact CG-CH2 3.49Å; H124-W455 AromaticContact CG-CZ3 3.72Å; H124-W455 AromaticContact ND1-CE3 3.61Å; H124-W455 AromaticContact ND1-CH2 3.23Å; H124-W455 WeakPolarHBondContact ND1-CH2 3.23Å; H124-W455 AromaticContact ND1-CZ2 3.84Å; H124-W455 AromaticContact ND1-CZ3 3.1Å; H124-W455 WeakPolarHBondContact ND1-CZ3 3.09Å; H124-W455 AromaticContact NE2-CE2 3.72Å; H124-W455 AromaticContact NE2-CH2 3.28Å; H124-W455 VanDerWaalsContact NE2-CH2 3.28Å; H124-W455 WeakPolarHBondContact NE2-CH2 3.5Å; H124-W455 AromaticContact NE2-CZ2 3.16Å; H124-W455 WeakPolarHBondContact NE2-CZ2 3.27Å; H124-W455 AromaticContact NE2-CZ3 3.95Å; H124-Q456 PolarHBondContact CE1-O 3.44Å; H124-L457 HydrophobicContact CB-CD2 3.9Å; H124-L458 WeakPolarHBondContact O-CB 3.41Å; H124-L458 PolarHBondContact O-N 3.22Å
125	C	93.8	Very high	91.8	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-76.4	-11.9	179.3	-64.9	0	0	0	0	114	V121 I122 E123 F127 Q225 C363	V121-C125 PolarHBondContact O-N 2.69Å; V121-C125 VanDerWaalsContact O-N 3.08Å; V121-C125 PolarHBondContact O-SG 3.4Å; I122-C125 PolarHBondContact O-N 2.87Å; I122-C125 VanDerWaalsContact O-N 3.16Å; E123-C125 VanDerWaalsContact C-N 3.29Å; E123-C125 PolarHBondContact O-N 3.16Å; C125-F127 HydrophobicContact CB-CD1 4.35Å; C125-F127 HydrophobicContact CB-CD2 4.14Å; C125-F127 HydrophobicContact CB-CE1 3.99Å; C125-F127 HydrophobicContact CB-CE2 3.76Å; C125-F127 HydrophobicContact CB-CG 4.42Å; C125-F127 HydrophobicContact CB-CZ 3.67Å; C125-F127 PolarHBondContact O-N 2.94Å; C125-F127 VanDerWaalsContact O-N 3.13Å; C125-Q225 PolarHBondContact O-NE2 3.3Å; C125-C363 WeakPolarHBondContact CA-SG 3.19Å; C125-C363 HydrophobicContact CB-CB 3.82Å; C125-C363 WeakPolarHBondContact CB-SG 3.34Å; C125-C363 WeakPolarHBondContact SG-CA 3.44Å; C125-C363 WeakPolarHBondContact SG-CB 3.36Å; C125-C363 PolarHBondContact SG-N 2.88Å; C125-C363 CovalentContact SG-SG 2.05Å; C125-C363 PolarHBondContact SG-SG 3.45Å
126	Q	92.3	Very high	91.8	Very high	28 Å²	28	54.8 Å²	54.8	13%	0.131	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	43	49.7	179.4	-63.3	-169.4	-17.7	0	0	113.2	I122 E123 H124 Q225 L458	I122-Q126 PolarHBondContact O-N 2.6Å; E123-Q126 WeakPolarHBondContact O-CG 3.42Å; E123-Q126 PolarHBondContact O-N 3.02Å; H124-Q126 VanDerWaalsContact C-N 3.28Å; H124-Q126 PolarHBondContact O-N 2.65Å; Q126-Q225 HydrophobicContact CB-CG 4.2Å; Q126-L458 PolarHBondContact NE2-O 2.92Å; Q126-L458 VanDerWaalsContact NE2-O 3.16Å; Q126-L458 PolarHBondContact OE1-O 3.13Å
127	F	92.5	Very high	91.9	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	24%	0.241	C	C	.	.			trans	-59	146.5	177.6	-66.9	-57.2	0	0	0	111	I122 C125 E129 N130 R131 V362 R365	I122-F127 HydrophobicContact CG1-CE2 4.47Å; I122-F127 HydrophobicContact CG2-CD2 4.1Å; I122-F127 HydrophobicContact CG2-CE2 4.44Å; C125-F127 HydrophobicContact CB-CD1 4.35Å; C125-F127 HydrophobicContact CB-CD2 4.14Å; C125-F127 HydrophobicContact CB-CE1 3.99Å; C125-F127 HydrophobicContact CB-CE2 3.76Å; C125-F127 HydrophobicContact CB-CG 4.42Å; C125-F127 HydrophobicContact CB-CZ 3.67Å; C125-F127 PolarHBondContact O-N 2.94Å; C125-F127 VanDerWaalsContact O-N 3.13Å; F127-E129 VanDerWaalsContact C-N 3.25Å; F127-E129 PolarHBondContact O-N 2.87Å; F127-N130 CarbonylContact O-C 3.55Å; F127-N130 PolarHBondContact O-N 3.18Å; F127-R131 WeakPolarHBondContact O-CB 3.5Å; F127-R131 PolarHBondContact O-N 3.33Å; F127-V362 WeakPolarHBondContact CZ-O 3.48Å; F127-R365 HydrophobicContact CE1-CG 3.75Å; F127-R365 HydrophobicContact CZ-CG 4.08Å
128	V	92.2	Very high	91.9	Very high	12 Å²	12	49 Å²	49	7%	0.073	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-54	-41.5	-172.8	179.9	0	0	0	0	112.5	N130 Q174 E175 E178 I224	V128-N130 VanDerWaalsContact C-N 3.31Å; V128-N130 PolarHBondContact O-N 3.18Å; V128-Q174 HydrophobicContact CG1-CG 3.71Å; V128-E175 HydrophobicContact CB-CG 4.29Å; V128-E175 HydrophobicContact CG2-CG 3.62Å; V128-E178 VanDerWaalsContact CG1-CD 3.42Å; V128-E178 HydrophobicContact CG1-CG 4.44Å; V128-E178 WeakPolarHBondContact CG1-OE1 3.21Å; V128-I224 HydrophobicContact CG2-CG2 4.01Å
129	E	88.9	Confident	91.8	Very high	87 Å²	87	53.6 Å²	53.6	41%	0.407	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-69.2	-23.3	179.5	63.6	-89.3	-153.2	0	0	114.6	F127 R365	F127-E129 VanDerWaalsContact C-N 3.25Å; F127-E129 PolarHBondContact O-N 2.87Å; E129-R365 IonicContact OE1-CZ 3.77Å; E129-R365 VanDerWaalsContact OE1-CZ 3.23Å; E129-R365 IonicContact OE1-NH1 3.08Å; E129-R365 PolarHBondContact OE1-NH1 3.22Å; E129-R365 IonicContact OE1-NH2 2.89Å; E129-R365 PolarHBondContact OE1-NH2 3.41Å; E129-R365 IonicContact OE2-CZ 2.71Å; E129-R365 IonicContact OE2-NH2 3.79Å; E129-R365 PolarHBondContact OE2-NH2 3.46Å
130	N	85	Confident	91.9	Very high	98 Å²	98	49.5 Å²	49.5	52%	0.524	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-114.4	6	-176.9	-63.6	-29.6	0	0	0	112.2	F127 V128 D132	F127-N130 CarbonylContact O-C 3.55Å; F127-N130 PolarHBondContact O-N 3.18Å; V128-N130 VanDerWaalsContact C-N 3.31Å; V128-N130 PolarHBondContact O-N 3.18Å; N130-D132 PolarHBondContact O-N 3.1Å; N130-D132 VanDerWaalsContact O-N 3.11Å
131	R	89	Confident	92	Very high	58 Å²	58	55 Å²	55	22%	0.219	28%	0.278	C	S	.	.			trans	-76.5	102.7	-174.3	-177.3	-179	62.6	-134.7	-6.4	109.5	F127 L133 E178 I224	F127-R131 WeakPolarHBondContact O-CB 3.5Å; F127-R131 PolarHBondContact O-N 3.33Å; R131-L133 HydrophobicContact CG-CG 4.08Å; R131-E178 IonicContact CZ-OE1 3.32Å; R131-E178 IonicContact CZ-OE2 3.78Å; R131-E178 VanDerWaalsContact CZ-OE2 3.25Å; R131-E178 IonicContact NH1-OE1 2.72Å; R131-E178 IonicContact NH1-OE2 2.93Å; R131-E178 PolarHBondContact NH1-OE2 3.41Å; R131-E178 VanDerWaalsContact NH2-CD 3.25Å; R131-E178 IonicContact NH2-OE1 2.8Å; R131-E178 PolarHBondContact NH2-OE1 2.96Å; R131-E178 IonicContact NH2-OE2 3.77Å; R131-E178 PolarHBondContact NH2-OE2 2.93Å; R131-I224 VanDerWaalsContact NH1-CG2 3.35Å
132	D	84.1	Confident	92.2	Very high	118 Å²	118	55.7 Å²	55.7	63%	0.631	28%	0.282	S	S	*	.			trans	-111	85	175.8	-169.4	7.9	0	0	0	110	N130 Q134	N130-D132 PolarHBondContact O-N 3.1Å; N130-D132 VanDerWaalsContact O-N 3.11Å; D132-Q134 VanDerWaalsContact CG-NE2 3.33Å; D132-Q134 PolarHBondContact O-N 2.73Å; D132-Q134 WeakPolarHBondContact OD1-CG 3.2Å; D132-Q134 PolarHBondContact OD1-NE2 2.92Å; D132-Q134 PolarHBondContact OD2-NE2 2.85Å
133	L	91.3	Very high	92.3	Very high	35 Å²	35	57.7 Å²	57.7	18%	0.183	30%	0.298	C	S	.	.			trans	-75.5	105.6	175.1	-67.2	176	0	0	0	108.7	R131 A228 L229 F232	R131-L133 HydrophobicContact CG-CG 4.08Å; L133-A228 HydrophobicContact CD1-CB 4.25Å; L133-L229 HydrophobicContact CD2-CD1 4.42Å; L133-F232 HydrophobicContact CB-CB 4.32Å; L133-F232 HydrophobicContact CB-CD1 4Å; L133-F232 HydrophobicContact CB-CD2 3.93Å; L133-F232 HydrophobicContact CB-CE1 4.3Å; L133-F232 HydrophobicContact CB-CE2 4.24Å; L133-F232 HydrophobicContact CB-CG 3.8Å; L133-F232 HydrophobicContact CB-CZ 4.42Å; L133-F232 HydrophobicContact CD1-CB 3.74Å; L133-F232 HydrophobicContact CD1-CD1 4.47Å; L133-F232 HydrophobicContact CD1-CG 4.12Å; L133-F232 WeakPolarHBondContact O-CE2 3.3Å
134	Q	92.2	Very high	92.5	Very high	129 Å²	129	57.9 Å²	57.9	60%	0.603	30%	0.302	S	S	*	.			trans	-113.9	160.9	173	-58.1	-171	15.1	0	0	110.9	D132 F232 R461	D132-Q134 VanDerWaalsContact CG-NE2 3.33Å; D132-Q134 PolarHBondContact O-N 2.73Å; D132-Q134 WeakPolarHBondContact OD1-CG 3.2Å; D132-Q134 PolarHBondContact OD1-NE2 2.92Å; D132-Q134 PolarHBondContact OD2-NE2 2.85Å; Q134-F232 VanDerWaalsContact C-CZ 3.46Å; Q134-R461 PolarHBondContact O-NH2 3.4Å; Q134-R461 VanDerWaalsContact O-NH2 3.13Å
135	G	94.3	Very high	92.7	Very high	23 Å²	23	58.4 Å²	58.4	24%	0.237	31%	0.306	C	S	.	.			trans	171.5	157.8	178.4	0	0	0	0	0	115	E137 G482	G135-E137 VanDerWaalsContact C-OE2 3.29Å; G135-E137 WeakPolarHBondContact CA-OE2 3.48Å; G135-G482 WeakPolarHBondContact CA-O 3.17Å
136	S	95.5	Very high	92.8	Very high	29 Å²	29	61.3 Å²	61.3	20%	0.203	32%	0.324	C	S	.	.			trans	-108.7	10.1	178.4	63	0	0	0	0	112.6	R139 R477 L479 G482	S136-R139 WeakPolarHBondContact O-CB 3.27Å; S136-R139 PolarHBondContact O-N 2.79Å; S136-R477 PolarHBondContact O-NH1 2.78Å; S136-R477 PolarHBondContact OG-NH2 3.39Å; S136-L479 WeakPolarHBondContact OG-CD2 3.21Å; S136-G482 PolarHBondContact N-O 3.38Å; S136-G482 PolarHBondContact OG-O 2.96Å
137	E	96.5	Very high	93	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	141.4	173.8	-75.1	89.6	161.5	0	0	112.1	G135 R139 L233 L236 Y237 R461 E465 L479 G482	G135-E137 VanDerWaalsContact C-OE2 3.29Å; G135-E137 WeakPolarHBondContact CA-OE2 3.48Å; E137-R139 PolarHBondContact O-N 3.46Å; E137-L233 HydrophobicContact CG-CD2 4.32Å; E137-L236 HydrophobicContact CB-CB 4.34Å; E137-L236 HydrophobicContact CB-CD1 3.76Å; E137-L236 HydrophobicContact CG-CD1 4.44Å; E137-Y237 HydrophobicContact CB-CE1 4.11Å; E137-Y237 HydrophobicContact CB-CE2 4.13Å; E137-Y237 VanDerWaalsContact CB-OH 3.31Å; E137-Y237 WeakPolarHBondContact CB-OH 3.38Å; E137-Y237 HydrophobicContact CG-CE2 4.44Å; E137-Y237 VanDerWaalsContact CG-OH 3.29Å; E137-Y237 WeakPolarHBondContact CG-OH 3.5Å; E137-R461 IonicContact OE1-CZ 3.6Å; E137-R461 IonicContact OE1-NE 3.1Å; E137-R461 PolarHBondContact OE1-NE 2.88Å; E137-R461 IonicContact OE1-NH2 3.18Å; E137-R461 PolarHBondContact OE1-NH2 3.15Å; E137-R461 IonicContact OE2-NH2 3.94Å; E137-E465 VanDerWaalsContact CA-OE1 3.29Å; E137-E465 WeakPolarHBondContact CA-OE1 3.17Å; E137-L479 HydrophobicContact CG-CD2 4.12Å; E137-G482 VanDerWaalsContact OE1-CA 3.28Å; E137-G482 WeakPolarHBondContact OE1-CA 3.33Å; E137-G482 PolarHBondContact OE1-N 3.36Å; E137-G482 VanDerWaalsContact OE2-CA 3.31Å; E137-G482 WeakPolarHBondContact OE2-CA 3.24Å
138	G	95	Very high	93	Very high	16 Å²	16	60.9 Å²	60.9	17%	0.165	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-8.6	177.6	0	0	0	0	0	114.9	Y237 E465	G138-Y237 VanDerWaalsContact CA-CE1 3.48Å; G138-Y237 VanDerWaalsContact N-CE1 3.31Å; G138-E465 PolarHBondContact N-OE1 3.35Å
139	R	93.3	Very high	93.2	Very high	166 Å²	166	60.4 Å²	60.4	63%	0.626	32%	0.32	S	S	*	.			trans	-95.7	140.9	-179	-57.8	-178.1	-179.6	171.7	2	111.8	S136 E137 Y467 R477	S136-R139 WeakPolarHBondContact O-CB 3.27Å; S136-R139 PolarHBondContact O-N 2.79Å; E137-R139 PolarHBondContact O-N 3.46Å; R139-Y467 PolarHBondContact O-OH 3.08Å; R139-R477 PolarHBondContact O-NH1 3.18Å
140	T	94.3	Very high	93.6	Very high	46 Å²	46	56.4 Å²	56.4	28%	0.282	30%	0.302	S	S	.	.			trans	-143.2	144.1	172.4	-174.4	0	0	0	0	110.7	H142 Y467	T140-H142 VanDerWaalsContact C-N 3.29Å; T140-H142 PolarHBondContact OG1-N 3.37Å; T140-Y467 HydrophobicContact CG2-CD1 4.12Å; T140-Y467 HydrophobicContact CG2-CE1 3.61Å
141	D	95	Very high	94.2	Very high	145 Å²	145	51.8 Å²	51.8	78%	0.775	28%	0.277	S	S	*	.			trans	-84.8	-7.1	172.7	-66.9	-26.1	0	0	0	111.9
142	H	96.1	Very high	94.6	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.069	27%	0.268	C	S	.	.			trans	-73.1	121.9	179.7	-171	-62.9	0	0	0	110.4	T140 N144 A145 E496 Y497 L499	T140-H142 VanDerWaalsContact C-N 3.29Å; T140-H142 PolarHBondContact OG1-N 3.37Å; H142-N144 VanDerWaalsContact C-N 3.29Å; H142-N144 PolarHBondContact ND1-N 3.37Å; H142-N144 VanDerWaalsContact ND1-N 3.16Å; H142-N144 PolarHBondContact O-N 3.5Å; H142-A145 HydrophobicContact CB-CB 3.74Å; H142-A145 VanDerWaalsContact CG-CB 3.45Å; H142-A145 VanDerWaalsContact ND1-CB 3.32Å; H142-A145 WeakPolarHBondContact ND1-CB 3.41Å; H142-A145 PolarHBondContact ND1-N 3.05Å; H142-E496 IonicContact CD2-OE1 2.92Å; H142-E496 IonicContact NE2-OE1 3.64Å; H142-E496 PolarHBondContact NE2-OE1 3.09Å; H142-Y497 HydrophobicContact CB-CD2 4.39Å; H142-Y497 HydrophobicContact CB-CG 4.27Å; H142-Y497 AromaticContact CD2-CD2 3.46Å; H142-Y497 VanDerWaalsContact CD2-CD2 3.46Å; H142-Y497 WeakPolarHBondContact CD2-CD2 3.3Å; H142-L499 HydrophobicContact CB-CD1 4.15Å
143	P	94.9	Very high	95.3	Very high	88 Å²	88	43.5 Å²	43.5	57%	0.571	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.3	-168.8	24.5	-35	0	0	0	114.4
144	N	94.8	Very high	95.6	Very high	103 Å²	103	41.9 Å²	41.9	55%	0.551	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.6	6.9	-172.9	-56.8	-42.4	0	0	0	114.5	H142 P470	H142-N144 VanDerWaalsContact C-N 3.29Å; H142-N144 PolarHBondContact ND1-N 3.37Å; H142-N144 VanDerWaalsContact ND1-N 3.16Å; H142-N144 PolarHBondContact O-N 3.5Å; N144-P470 HydrophobicContact CB-CG 3.87Å; N144-P470 WeakPolarHBondContact O-CD 3.29Å
145	A	96	Very high	95.7	Very high	13 Å²	13	35.9 Å²	35.9	11%	0.107	20%	0.201	C	C	.	.			trans	-90.4	134.3	-175.4	0	0	0	0	0	109.9	H142 Y467 E468 T469	H142-A145 HydrophobicContact CB-CB 3.74Å; H142-A145 VanDerWaalsContact CG-CB 3.45Å; H142-A145 VanDerWaalsContact ND1-CB 3.32Å; H142-A145 WeakPolarHBondContact ND1-CB 3.41Å; H142-A145 PolarHBondContact ND1-N 3.05Å; A145-Y467 HydrophobicContact CB-CD1 4.28Å; A145-E468 WeakPolarHBondContact CA-O 3.36Å; A145-T469 HydrophobicContact CB-CG2 4.41Å
146	T	95.2	Very high	95.8	Very high	62 Å²	62	34.9 Å²	34.9	38%	0.38	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.4	-178.2	-59.8	0	0	0	0	109.8	I148 P241 Y467 E468	T146-I148 PolarHBondContact O-N 3.48Å; T146-P241 HydrophobicContact CG2-CB 3.57Å; T146-P241 HydrophobicContact CG2-CG 3.76Å; T146-Y467 CarbonylContact O-C 3.53Å; T146-Y467 VanDerWaalsContact O-CA 3.24Å; T146-Y467 WeakPolarHBondContact O-CA 3.42Å; T146-E468 PolarHBondContact N-O 2.95Å; T146-E468 PolarHBondContact O-N 3.07Å
147	L	96.1	Very high	95.8	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.4	172.7	-177.7	64	0	0	0	109.6	I150 Y237 T240 L242 E465 Y467	L147-I150 HydrophobicContact CD1-CG1 4.29Å; L147-I150 HydrophobicContact CD2-CD1 4.1Å; L147-I150 HydrophobicContact CD2-CG1 4.2Å; L147-I150 HydrophobicContact CG-CG1 4.49Å; L147-Y237 HydrophobicContact CD2-CD1 3.7Å; L147-Y237 HydrophobicContact CD2-CE1 3.78Å; L147-T240 HydrophobicContact CD2-CG2 4.18Å; L147-L242 HydrophobicContact CD2-CB 4.39Å; L147-L242 HydrophobicContact CD2-CD2 4.12Å; L147-L242 HydrophobicContact CG-CB 4.29Å; L147-L242 HydrophobicContact CG-CD2 4.11Å; L147-E465 HydrophobicContact CD1-CB 3.71Å; L147-E465 HydrophobicContact CD1-CG 4.33Å; L147-Y467 HydrophobicContact CB-CD1 4.1Å; L147-Y467 HydrophobicContact CB-CE1 3.77Å; L147-Y467 HydrophobicContact CD1-CD1 4.49Å; L147-Y467 HydrophobicContact CD1-CD2 4.33Å; L147-Y467 HydrophobicContact CD1-CE1 4.17Å; L147-Y467 HydrophobicContact CD1-CE2 4Å
148	I	94.1	Very high	95.8	Very high	31 Å²	31	33.5 Å²	33.5	16%	0.159	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-22.2	-176	58.6	157.5	0	0	0	114	T146 L242 V466 E468	T146-I148 PolarHBondContact O-N 3.48Å; I148-L242 VanDerWaalsContact O-CD1 3.26Å; I148-L242 WeakPolarHBondContact O-CD1 3.5Å; I148-V466 HydrophobicContact CD1-CG1 4.04Å; I148-V466 HydrophobicContact CG1-CB 4.3Å; I148-V466 HydrophobicContact CG1-CG1 4.02Å; I148-V466 WeakPolarHBondContact CG1-O 3.04Å; I148-V466 PolarHBondContact N-O 3.46Å; I148-E468 HydrophobicContact CD1-CB 3.88Å; I148-E468 HydrophobicContact CG1-CB 4.18Å; I148-E468 HydrophobicContact CG2-CB 3.88Å
149	S	95.6	Very high	95.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	152.7	176.6	-45.7	0	0	0	0	112	E428 V466	S149-E428 CarbonylContact C-O 3.51Å; S149-E428 WeakPolarHBondContact CA-O 2.97Å; S149-E428 WeakPolarHBondContact CB-O 3.04Å; S149-V466 PolarHBondContact N-O 3.23Å; S149-V466 PolarHBondContact O-N 2.72Å
150	I	97.2	Very high	95.5	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.1	174.2	-60.4	161.7	0	0	0	109.1	L147 Y237 L242 F243 E428 V429 Q430 V463 F464	L147-I150 HydrophobicContact CD1-CG1 4.29Å; L147-I150 HydrophobicContact CD2-CD1 4.1Å; L147-I150 HydrophobicContact CD2-CG1 4.2Å; L147-I150 HydrophobicContact CG-CG1 4.49Å; I150-Y237 HydrophobicContact CD1-CD1 3.54Å; I150-Y237 HydrophobicContact CD1-CD2 3.82Å; I150-Y237 HydrophobicContact CD1-CE1 3.38Å; I150-Y237 HydrophobicContact CD1-CE2 3.68Å; I150-Y237 HydrophobicContact CD1-CG 3.76Å; I150-Y237 VanDerWaalsContact CD1-CZ 3.46Å; I150-Y237 HydrophobicContact CG1-CE1 4.15Å; I150-L242 HydrophobicContact CB-CD2 4.4Å; I150-L242 HydrophobicContact CD1-CD2 3.33Å; I150-L242 HydrophobicContact CG1-CD2 3.53Å; I150-F243 HydrophobicContact CD1-CE2 4.23Å; I150-E428 PolarHBondContact N-O 3.14Å; I150-V429 HydrophobicContact CB-CG2 4.33Å; I150-V429 HydrophobicContact CD1-CG2 4.3Å; I150-V429 CarbonylContact O-C 3.49Å; I150-V429 WeakPolarHBondContact O-CA 3.34Å; I150-Q430 PolarHBondContact O-N 3.34Å; I150-V463 HydrophobicContact CG2-CG1 3.72Å; I150-F464 WeakPolarHBondContact CA-O 3.17Å
151	L	97.7	Very high	95.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.6	163.6	-174.6	154.9	0	0	0	109.2	I414 A417 L418 M421 Q430 F432 V463 F464	L151-I414 HydrophobicContact CD2-CG2 3.7Å; L151-A417 HydrophobicContact CD1-CB 4.09Å; L151-L418 HydrophobicContact CB-CD1 4.21Å; L151-L418 HydrophobicContact CD1-CB 3.96Å; L151-M421 HydrophobicContact CB-CE 3.71Å; L151-M421 HydrophobicContact CB-SD 4.17Å; L151-Q430 CarbonylContact C-O 3.55Å; L151-Q430 VanDerWaalsContact CA-O 3.29Å; L151-Q430 WeakPolarHBondContact CA-O 3.28Å; L151-Q430 HydrophobicContact CD1-CB 4.49Å; L151-Q430 HydrophobicContact CG-CB 4.3Å; L151-F432 HydrophobicContact CD1-CD2 4.41Å; L151-F432 HydrophobicContact CD1-CE2 3.71Å; L151-F432 HydrophobicContact CD2-CD2 4.09Å; L151-F432 HydrophobicContact CD2-CE2 4.18Å; L151-F432 HydrophobicContact CG-CD2 4.13Å; L151-F432 HydrophobicContact CG-CE2 3.91Å; L151-V463 CarbonylContact O-C 3.55Å; L151-F464 HydrophobicContact CB-CB 4.39Å; L151-F464 HydrophobicContact CD2-CD2 3.8Å; L151-F464 HydrophobicContact CD2-CE2 4.35Å; L151-F464 PolarHBondContact N-O 3.03Å; L151-F464 PolarHBondContact O-N 3.17Å
152	A	97.9	Very high	94.7	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	176.3	0	0	0	0	0	111.3	V154 Q430 L431 F432 V462 V463	A152-V154 HydrophobicContact CB-CG2 4.23Å; A152-Q430 PolarHBondContact N-O 2.97Å; A152-L431 HydrophobicContact CB-CD2 3.89Å; A152-L431 CarbonylContact O-C 3.6Å; A152-L431 WeakPolarHBondContact O-CA 3.48Å; A152-F432 PolarHBondContact O-N 2.97Å; A152-V462 CarbonylContact C-O 3.49Å; A152-V462 WeakPolarHBondContact CA-O 3.46Å; A152-V463 HydrophobicContact CB-CG1 4.48Å; A152-V463 HydrophobicContact CB-CG2 4.06Å
153	A	97.2	Very high	93.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.5	164.1	0	0	0	0	0	108.7	I414 F432 I439 I442 R461 V462	A153-I414 HydrophobicContact CB-CD1 4.24Å; A153-I414 HydrophobicContact CB-CG2 4.48Å; A153-F432 HydrophobicContact CB-CB 4.32Å; A153-I439 HydrophobicContact CB-CD1 3.7Å; A153-I439 WeakPolarHBondContact O-CD1 3.37Å; A153-I442 HydrophobicContact CB-CD1 4.18Å; A153-R461 CarbonylContact O-C 3.52Å; A153-R461 VanDerWaalsContact O-CA 3.23Å; A153-R461 WeakPolarHBondContact O-CA 3.37Å; A153-V462 PolarHBondContact N-O 2.88Å; A153-V462 PolarHBondContact O-N 3.3Å
154	V	97.7	Very high	92.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.4	-174.4	-173.6	0	0	0	0	109.1	A152 L229 L269 F432 S434 A460 R461	A152-V154 HydrophobicContact CB-CG2 4.23Å; V154-L229 HydrophobicContact CG1-CD2 3.69Å; V154-L269 HydrophobicContact CB-CD2 4.34Å; V154-L269 HydrophobicContact CG2-CD2 3.99Å; V154-F432 PolarHBondContact N-O 3.49Å; V154-S434 PolarHBondContact O-N 3.01Å; V154-A460 CarbonylContact C-O 3.58Å; V154-A460 WeakPolarHBondContact CA-O 3.42Å; V154-R461 HydrophobicContact CG2-CB 4.04Å
155	R	96.2	Very high	91.3	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.4	171.6	-177.7	-168.6	-170.8	-155.5	10.3	108.8	H124 E226 D436 I439 Q456 L457 L458 A459 A460	H124-R155 PolarHBondContact CE1-NH1 3.32Å; H124-R155 VanDerWaalsContact CE1-NH1 3.3Å; H124-R155 PolarHBondContact NE2-NH1 3.41Å; R155-E226 VanDerWaalsContact O-OE1 3.11Å; R155-D436 HydrophobicContact CG-CB 4.5Å; R155-D436 IonicContact CZ-OD2 3.99Å; R155-D436 IonicContact NE-OD2 3.1Å; R155-D436 PolarHBondContact NE-OD2 2.77Å; R155-D436 IonicContact NH2-OD2 3.29Å; R155-D436 PolarHBondContact NH2-OD2 3.49Å; R155-I439 HydrophobicContact CB-CG1 4.17Å; R155-Q456 VanDerWaalsContact CZ-O 3.24Å; R155-Q456 PolarHBondContact NH1-O 2.94Å; R155-L457 WeakPolarHBondContact CD-O 3.24Å; R155-L457 PolarHBondContact NH1-O 3.22Å; R155-L458 VanDerWaalsContact NH1-N 3.19Å; R155-A459 VanDerWaalsContact O-CA 3.22Å; R155-A459 WeakPolarHBondContact O-CA 3.35Å; R155-A459 PolarHBondContact O-N 3.41Å; R155-A460 PolarHBondContact N-O 3.28Å
156	H	95.9	Very high	89.9	Confident	1 Å²	1	19 Å²	19	1%	0.005	13%	0.127	C	C	.	.			trans	-47.9	146.4	171.2	70.3	70.4	0	0	0	113	R159 E226 R261 T262 S265 S434 H435	H156-R159 PolarHBondContact CE1-NE 1.99Å; H156-R159 VanDerWaalsContact CE1-NE 3.34Å; H156-E226 VanDerWaalsContact C-OE1 3.25Å; H156-E226 WeakPolarHBondContact CA-OE1 3.07Å; H156-R261 PolarHBondContact CD2-NE 2.7Å; H156-R261 WeakPolarHBondContact NE2-CD 3.19Å; H156-R261 PolarHBondContact NE2-NE 2.73Å; H156-T262 HydrophobicContact CB-CG2 4.34Å; H156-S265 WeakPolarHBondContact CA-OG 3.19Å; H156-S265 WeakPolarHBondContact CB-OG 3.12Å; H156-S434 PolarHBondContact N-O 3.26Å; H156-H435 AromaticContact CD2-ND1 3.98Å
157	G	95.9	Very high	88.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.			trans	-63.8	-176.7	169	0	0	0	0	0	114.5	E226 S265	G157-E226 PolarHBondContact N-OE1 2.91Å; G157-S265 PolarHBondContact N-OG 2.91Å
158	D	94.8	Very high	88.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.163	C	C	.	.			trans	-50.1	140.4	-179.8	178.8	59.3	0	0	0	112.8	L218 S219 R221 G222 C363 Q364 L458	D158-L218 WeakPolarHBondContact O-CD1 2.98Å; D158-S219 PolarHBondContact O-N 3.34Å; D158-S219 PolarHBondContact O-OG 3.39Å; D158-S219 VanDerWaalsContact OD2-CB 3.3Å; D158-S219 WeakPolarHBondContact OD2-CB 3.02Å; D158-S219 PolarHBondContact OD2-OG 3.21Å; D158-R221 HydrophobicContact CB-CB 4.3Å; D158-G222 WeakPolarHBondContact O-CA 3.07Å; D158-C363 WeakPolarHBondContact OD1-CB 3.34Å; D158-Q364 PolarHBondContact OD1-NE2 3.11Å; D158-Q364 PolarHBondContact OD2-NE2 3.27Å; D158-L458 HydrophobicContact CB-CD1 3.8Å
159	R	92.9	Very high	87.8	Confident	12 Å²	12	27.1 Å²	27.1	5%	0.045	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-138.5	158.7	-179.2	56	158.1	165.8	75.2	0.1	110	H156 F217 D355	H156-R159 PolarHBondContact CE1-NE 1.99Å; H156-R159 VanDerWaalsContact CE1-NE 3.34Å; R159-F217 VanDerWaalsContact CA-O 3.27Å; R159-F217 WeakPolarHBondContact CA-O 3.24Å; R159-F217 WeakPolarHBondContact CB-O 3.47Å; R159-D355 IonicContact CZ-OD1 4Å; R159-D355 IonicContact NH1-OD1 2.87Å; R159-D355 PolarHBondContact NH1-OD1 3.12Å; R159-D355 IonicContact NH1-OD2 2.88Å; R159-D355 PolarHBondContact NH1-OD2 3.28Å; R159-D355 IonicContact NH2-OD1 3.73Å; R159-D355 PolarHBondContact NH2-OD1 2.78Å; R159-D355 IonicContact NH2-OD2 3.9Å
160	F	90.7	Very high	87.4	Confident	20 Å²	20	35.6 Å²	35.6	9%	0.088	20%	0.204	C	C	.	.			trans	-64.3	143.5	167.2	-56.3	-62.9	0	0	0	110.1	C213 Q214 A216 F217	F160-C213 HydrophobicContact CD1-CB 4Å; F160-C213 HydrophobicContact CD2-CB 4.27Å; F160-C213 HydrophobicContact CE1-CB 3.94Å; F160-C213 WeakPolarHBondContact CE1-SG 3.21Å; F160-C213 HydrophobicContact CE2-CB 4.19Å; F160-C213 HydrophobicContact CG-CB 4.17Å; F160-C213 HydrophobicContact CZ-CB 4.02Å; F160-C213 WeakPolarHBondContact CZ-SG 3.29Å; F160-Q214 WeakPolarHBondContact CD2-O 3.29Å; F160-A216 WeakPolarHBondContact O-CA 3.34Å; F160-A216 PolarHBondContact O-N 2.92Å; F160-A216 VanDerWaalsContact O-N 3.15Å; F160-F217 PolarHBondContact N-O 2.63Å
161	G	87.6	Confident	87.1	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.031	22%	0.216	C	C	.	.			trans	-51.1	152.7	-176.6	0	0	0	0	0	113.8	Y163 R215 A216 A359	G161-Y163 VanDerWaalsContact C-N 3.32Å; G161-R215 WeakPolarHBondContact O-CG 3.34Å; G161-A216 PolarHBondContact O-N 3.3Å; G161-A359 PolarHBondContact N-O 3.32Å
162	L	84.3	Confident	86.8	Confident	49 Å²	49	39.8 Å²	39.8	26%	0.257	23%	0.23	S	C	.	.	S	Bend	trans	-71.8	-26.7	-179.9	-65.1	-179.1	0	0	0	113.1	R215 A216 D355	L162-R215 WeakPolarHBondContact O-CD 3.44Å; L162-R215 VanDerWaalsContact O-CG 3.25Å; L162-R215 WeakPolarHBondContact O-CG 3.49Å; L162-R215 PolarHBondContact O-NE 3.19Å; L162-A216 HydrophobicContact CD2-CB 3.52Å; L162-D355 VanDerWaalsContact CG-OD2 3.29Å; L162-D355 WeakPolarHBondContact CG-OD2 3.45Å; L162-D355 PolarHBondContact N-OD2 3.13Å
163	Y	80	Confident	86.6	Confident	59 Å²	59	48.3 Å²	48.3	23%	0.231	27%	0.269	C	S	.	.	S	Bend	trans	-118.2	-39.2	-172.8	-54	-65.6	0	0	0	112.3	G161 G165 R215 F338 Y343 D352	G161-Y163 VanDerWaalsContact C-N 3.32Å; Y163-G165 PolarHBondContact O-N 2.03Å; Y163-R215 PolarHBondContact O-NH2 3.08Å; Y163-F338 HydrophobicContact CD2-CE1 4.17Å; Y163-Y343 AromaticContact CD1-CD2 3.88Å; Y163-Y343 HydrophobicContact CD1-CD2 3.88Å; Y163-Y343 AromaticContact CD1-CE2 3.6Å; Y163-Y343 HydrophobicContact CD1-CE2 3.6Å; Y163-Y343 HydrophobicContact CD2-CD2 4.5Å; Y163-Y343 HydrophobicContact CD2-CE2 4.07Å; Y163-Y343 HydrophobicContact CE1-CD2 4.25Å; Y163-Y343 AromaticContact CE1-CE2 3.51Å; Y163-Y343 HydrophobicContact CE1-CE2 3.51Å; Y163-Y343 AromaticContact CE2-CE2 3.97Å; Y163-Y343 HydrophobicContact CE2-CE2 3.97Å; Y163-Y343 HydrophobicContact CG-CD2 4.02Å; Y163-Y343 AromaticContact CG-CE2 3.88Å; Y163-Y343 HydrophobicContact CG-CE2 3.88Å; Y163-Y343 AromaticContact CZ-CE2 3.69Å; Y163-D352 HydrophobicContact CE2-CB 3.76Å; Y163-D352 WeakPolarHBondContact CE2-OD1 3.23Å; Y163-D352 PolarHBondContact OH-OD1 2.94Å; Y163-D352 PolarHBondContact OH-OD2 3.08Å
164	T	69.9	Low	86.5	Confident	25 Å²	25	52.9 Å²	52.9	15%	0.153	29%	0.29	C	S	.	.			trans	-74.6	118	179.5	40.8	0	0	0	0	111.1	I341 N356 Y361	T164-I341 HydrophobicContact CG2-CD1 4.1Å; T164-I341 HydrophobicContact CG2-CG2 3.94Å; T164-N356 WeakPolarHBondContact CG2-ND2 3.47Å; T164-Y361 HydrophobicContact CG2-CE2 4.36Å
165	G	64.3	Low	86.3	Confident	66 Å²	66	53 Å²	53	68%	0.68	29%	0.291	S	S	*	.			trans	-94.7	144.8	160	0	0	0	0	0	109.1	Y163	Y163-G165 PolarHBondContact O-N 2.03Å
166	G	66.5	Low	86.2	Confident	52 Å²	52	54.7 Å²	54.7	54%	0.536	31%	0.306	S	S	.	.			trans	-176.2	-180	177.7	0	0	0	0	0	112.8
167	K	74.8	Confident	86.2	Confident	194 Å²	194	61.3 Å²	61.3	84%	0.843	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-63.8	143.2	171.7	-66.1	-176.1	-179.6	-179.5	0	109.9	K366	K167-K366 PolarHBondContact O-NZ 2.88Å
168	C	81.7	Confident	86.2	Confident	49 Å²	49	63 Å²	63	33%	0.331	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-59.5	137.5	167.3	-57.5	0	0	0	0	109.5	C213	C168-C213 WeakPolarHBondContact CA-SG 3.21Å; C168-C213 HydrophobicContact CB-CB 4.3Å; C168-C213 WeakPolarHBondContact CB-SG 3.31Å; C168-C213 WeakPolarHBondContact SG-CB 3.37Å; C168-C213 PolarHBondContact SG-N 3.07Å; C168-C213 VanDerWaalsContact SG-N 3.36Å; C168-C213 CovalentContact SG-SG 2Å; C168-C213 PolarHBondContact SG-SG 3.26Å
169	S	84.2	Confident	86.1	Confident	27 Å²	27	63.5 Å²	63.5	19%	0.189	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-74.2	145.7	161.9	48.4	0	0	0	0	109.3	R221 Q364	S169-R221 PolarHBondContact OG-NH1 3.41Å; S169-Q364 WeakPolarHBondContact CB-O 3.48Å; S169-Q364 PolarHBondContact OG-O 3.41Å
170	E	87	Confident	86.1	Confident	178 Å²	178	68 Å²	68	83%	0.832	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66.1	146.8	173	-64	-178.9	174.7	0	0	109.6	R221	E170-R221 PolarHBondContact O-NH2 2.82Å
171	L	91	Very high	86.2	Confident	52 Å²	52	70.3 Å²	70.3	27%	0.272	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-76.6	143.1	171.3	-61.8	-179.2	0	0	0	108.8	E175 A176 F179 P220 R221	L171-E175 WeakPolarHBondContact CA-OE2 3.31Å; L171-E175 HydrophobicContact CB-CB 3.89Å; L171-E175 HydrophobicContact CD2-CB 4.26Å; L171-A176 HydrophobicContact CB-CB 4.27Å; L171-F179 HydrophobicContact CD1-CB 4.27Å; L171-F179 HydrophobicContact CD1-CD1 4.28Å; L171-F179 HydrophobicContact CD1-CG 4.41Å; L171-P220 HydrophobicContact CD1-CB 3.85Å; L171-P220 HydrophobicContact CD1-CG 4.45Å; L171-P220 HydrophobicContact CD2-CB 4.06Å; L171-R221 HydrophobicContact CD2-CG 4.01Å
172	S	92.6	Very high	86.5	Confident	41 Å²	41	70.1 Å²	70.1	29%	0.287	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.4	162	165.8	75.5	0	0	0	0	110.1	Q174 E175 A176	S172-Q174 PolarHBondContact O-N 3.5Å; S172-E175 PolarHBondContact N-OE2 3.36Å; S172-E175 PolarHBondContact O-N 2.94Å; S172-E175 VanDerWaalsContact O-N 3.14Å; S172-E175 WeakPolarHBondContact OG-CB 3.36Å; S172-E175 VanDerWaalsContact OG-CG 3.26Å; S172-E175 WeakPolarHBondContact OG-CG 3.39Å; S172-E175 PolarHBondContact OG-N 3.48Å; S172-A176 WeakPolarHBondContact O-CB 3.5Å; S172-A176 PolarHBondContact O-N 2.89Å
173	E	93.8	Very high	86.9	Confident	182 Å²	182	68.1 Å²	68.1	85%	0.85	37%	0.365	S	S	*	.	H	α-helix	trans	-55.4	-40.9	177.9	-174	179.6	174.8	0	0	112.1	A176 K177	E173-A176 PolarHBondContact O-N 3.44Å; E173-K177 PolarHBondContact O-N 3.24Å
174	Q	94.4	Very high	87.3	Confident	96 Å²	96	69.8 Å²	69.8	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-68.6	-42.2	177.5	-165.7	179	-4.8	0	0	112.1	V128 S172 K177 E178	V128-Q174 HydrophobicContact CG1-CG 3.71Å; S172-Q174 PolarHBondContact O-N 3.5Å; Q174-K177 PolarHBondContact O-N 3.4Å; Q174-E178 PolarHBondContact O-N 3.45Å
175	E	94.6	Very high	88.2	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-42.5	174.8	-74.2	168.5	165.6	0	0	111.4	V128 L171 S172 K177 E178 F179 R221 I224 R365	V128-E175 HydrophobicContact CB-CG 4.29Å; V128-E175 HydrophobicContact CG2-CG 3.62Å; L171-E175 WeakPolarHBondContact CA-OE2 3.31Å; L171-E175 HydrophobicContact CB-CB 3.89Å; L171-E175 HydrophobicContact CD2-CB 4.26Å; S172-E175 PolarHBondContact N-OE2 3.36Å; S172-E175 PolarHBondContact O-N 2.94Å; S172-E175 VanDerWaalsContact O-N 3.14Å; S172-E175 WeakPolarHBondContact OG-CB 3.36Å; S172-E175 VanDerWaalsContact OG-CG 3.26Å; S172-E175 WeakPolarHBondContact OG-CG 3.39Å; S172-E175 PolarHBondContact OG-N 3.48Å; E175-K177 PolarHBondContact O-N 2.76Å; E175-E178 PolarHBondContact O-N 3.45Å; E175-F179 VanDerWaalsContact O-CB 3.32Å; E175-F179 WeakPolarHBondContact O-CB 3.31Å; E175-F179 PolarHBondContact O-N 3.15Å; E175-R221 IonicContact OE1-CZ 3.23Å; E175-R221 IonicContact OE1-NE 3.93Å; E175-R221 PolarHBondContact OE1-NE 2.83Å; E175-R221 IonicContact OE1-NH2 2.76Å; E175-R221 IonicContact OE2-CZ 3.41Å; E175-R221 VanDerWaalsContact OE2-CZ 3.28Å; E175-R221 IonicContact OE2-NE 3.45Å; E175-R221 PolarHBondContact OE2-NE 3.19Å; E175-R221 VanDerWaalsContact OE2-NE 3.09Å; E175-R221 IonicContact OE2-NH2 2.95Å; E175-R221 PolarHBondContact OE2-NH2 3.06Å; E175-I224 HydrophobicContact CB-CD1 4.24Å; E175-I224 WeakPolarHBondContact O-CD1 3.32Å; E175-R365 IonicContact OE1-CZ 3.28Å; E175-R365 IonicContact OE1-NE 2.86Å; E175-R365 PolarHBondContact OE1-NE 3.08Å; E175-R365 IonicContact OE1-NH2 2.73Å; E175-R365 PolarHBondContact OE1-NH2 2.71Å; E175-R365 IonicContact OE2-NE 3.71Å
176	A	94.1	Very high	89.2	Confident	40 Å²	40	66.1 Å²	66.1	33%	0.331	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.5	0	0	0	0	0	111.3	L171 S172 E173 F179 E180	L171-A176 HydrophobicContact CB-CB 4.27Å; S172-A176 WeakPolarHBondContact O-CB 3.5Å; S172-A176 PolarHBondContact O-N 2.89Å; E173-A176 PolarHBondContact O-N 3.44Å; A176-F179 PolarHBondContact O-N 2.96Å; A176-E180 WeakPolarHBondContact O-CG 3.45Å; A176-E180 PolarHBondContact O-N 3.3Å
177	K	95.3	Very high	89.9	Confident	141 Å²	141	71.6 Å²	71.6	61%	0.613	35%	0.351	S	S	*	.	H	α-helix	trans	-60.7	-51	176.3	-175.9	-174.8	173.3	-171.3	0	112.1	E173 Q174 E175 F179 E180 E181	E173-K177 PolarHBondContact O-N 3.24Å; Q174-K177 PolarHBondContact O-N 3.4Å; E175-K177 PolarHBondContact O-N 2.76Å; K177-F179 VanDerWaalsContact C-N 3.29Å; K177-F179 PolarHBondContact O-N 3.12Å; K177-E180 PolarHBondContact O-N 3.01Å; K177-E181 PolarHBondContact O-N 2.94Å
178	E	94.8	Very high	89.5	Confident	35 Å²	35	65.3 Å²	65.3	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-33.5	179.3	-71.6	-168.8	-168.7	0	0	112.3	V128 R131 Q174 E175 E181 Y182 I224	V128-E178 VanDerWaalsContact CG1-CD 3.42Å; V128-E178 HydrophobicContact CG1-CG 4.44Å; V128-E178 WeakPolarHBondContact CG1-OE1 3.21Å; R131-E178 IonicContact CZ-OE1 3.32Å; R131-E178 IonicContact CZ-OE2 3.78Å; R131-E178 VanDerWaalsContact CZ-OE2 3.25Å; R131-E178 IonicContact NH1-OE1 2.72Å; R131-E178 IonicContact NH1-OE2 2.93Å; R131-E178 PolarHBondContact NH1-OE2 3.41Å; R131-E178 VanDerWaalsContact NH2-CD 3.25Å; R131-E178 IonicContact NH2-OE1 2.8Å; R131-E178 PolarHBondContact NH2-OE1 2.96Å; R131-E178 IonicContact NH2-OE2 3.77Å; R131-E178 PolarHBondContact NH2-OE2 2.93Å; Q174-E178 PolarHBondContact O-N 3.45Å; E175-E178 PolarHBondContact O-N 3.45Å; E178-E181 PolarHBondContact O-N 3.28Å; E178-Y182 PolarHBondContact O-N 3.37Å; E178-I224 HydrophobicContact CB-CD1 4.27Å; E178-I224 HydrophobicContact CB-CG1 4.25Å; E178-I224 HydrophobicContact CB-CG2 3.94Å; E178-I224 WeakPolarHBondContact OE2-CG2 3.44Å
179	F	94.2	Very high	88.4	Confident	12 Å²	12	65 Å²	65	5%	0.053	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-43.2	174.2	-167.4	-124.2	0	0	0	111.9	L171 E175 A176 K177 E181 Y182 L183 P208 P220 A223 I224	L171-F179 HydrophobicContact CD1-CB 4.27Å; L171-F179 HydrophobicContact CD1-CD1 4.28Å; L171-F179 HydrophobicContact CD1-CG 4.41Å; E175-F179 VanDerWaalsContact O-CB 3.32Å; E175-F179 WeakPolarHBondContact O-CB 3.31Å; E175-F179 PolarHBondContact O-N 3.15Å; A176-F179 PolarHBondContact O-N 2.96Å; K177-F179 VanDerWaalsContact C-N 3.29Å; K177-F179 PolarHBondContact O-N 3.12Å; F179-E181 VanDerWaalsContact C-N 3.32Å; F179-E181 PolarHBondContact O-N 2.74Å; F179-Y182 AromaticContact CD2-CD1 3.86Å; F179-Y182 HydrophobicContact CD2-CD1 3.86Å; F179-Y182 AromaticContact CE2-CD1 3.76Å; F179-Y182 HydrophobicContact CE2-CD1 3.76Å; F179-Y182 AromaticContact CE2-CE1 3.99Å; F179-Y182 HydrophobicContact CE2-CE1 3.99Å; F179-Y182 WeakPolarHBondContact O-CB 3.33Å; F179-Y182 PolarHBondContact O-N 2.79Å; F179-L183 HydrophobicContact CD1-CD1 3.87Å; F179-L183 HydrophobicContact CD1-CG 4.29Å; F179-L183 HydrophobicContact CE1-CD1 3.67Å; F179-L183 HydrophobicContact CE1-CD2 4.34Å; F179-L183 HydrophobicContact CE1-CG 4.12Å; F179-L183 HydrophobicContact CE2-CD2 4.4Å; F179-L183 HydrophobicContact CE2-CG 4.49Å; F179-L183 HydrophobicContact CZ-CD1 4.22Å; F179-L183 HydrophobicContact CZ-CD2 4.03Å; F179-L183 HydrophobicContact CZ-CG 4.21Å; F179-L183 VanDerWaalsContact O-CG 3.29Å; F179-L183 WeakPolarHBondContact O-CG 3.35Å; F179-L183 PolarHBondContact O-N 3.2Å; F179-P208 HydrophobicContact CE2-CG 4.4Å; F179-P208 HydrophobicContact CZ-CB 4.45Å; F179-P220 HydrophobicContact CD1-CB 4.12Å; F179-P220 HydrophobicContact CD2-CB 3.73Å; F179-P220 HydrophobicContact CE1-CB 4.03Å; F179-P220 HydrophobicContact CE1-CG 4.28Å; F179-P220 HydrophobicContact CE2-CB 3.66Å; F179-P220 HydrophobicContact CE2-CG 4.39Å; F179-P220 HydrophobicContact CG-CB 3.98Å; F179-P220 HydrophobicContact CZ-CB 3.81Å; F179-P220 HydrophobicContact CZ-CG 4.1Å; F179-A223 HydrophobicContact CE2-CB 4.19Å; F179-I224 HydrophobicContact CB-CD1 3.97Å; F179-I224 HydrophobicContact CB-CG1 4.15Å; F179-I224 HydrophobicContact CD2-CG1 4.26Å
180	E	93.3	Very high	87.4	Confident	107 Å²	107	68.5 Å²	68.5	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-35.9	175.4	-72.6	-56.6	136.3	0	0	112.3	A176 K177 L183 T184	A176-E180 WeakPolarHBondContact O-CG 3.45Å; A176-E180 PolarHBondContact O-N 3.3Å; K177-E180 PolarHBondContact O-N 3.01Å; E180-L183 PolarHBondContact O-N 3.28Å; E180-T184 WeakPolarHBondContact O-CB 3.19Å; E180-T184 PolarHBondContact O-N 3.36Å; E180-T184 PolarHBondContact O-OG1 3.08Å
181	E	92.8	Very high	86.8	Confident	67 Å²	67	60.1 Å²	60.1	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-50.2	170.6	-71.9	179.8	-160.4	0	0	111.3	K177 E178 F179 L183 T184 V185 R231	K177-E181 PolarHBondContact O-N 2.94Å; E178-E181 PolarHBondContact O-N 3.28Å; F179-E181 VanDerWaalsContact C-N 3.32Å; F179-E181 PolarHBondContact O-N 2.74Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 3.3Å; E181-T184 WeakPolarHBondContact O-CB 3.3Å; E181-T184 PolarHBondContact O-N 3.25Å; E181-T184 VanDerWaalsContact O-N 3.16Å; E181-V185 WeakPolarHBondContact O-CG2 3.37Å; E181-V185 PolarHBondContact O-N 3.03Å; E181-R231 IonicContact OE2-CZ 3.36Å; E181-R231 IonicContact OE2-NH1 2.76Å; E181-R231 PolarHBondContact OE2-NH1 3.29Å; E181-R231 IonicContact OE2-NH2 3.65Å
182	Y	93.2	Very high	86	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-44.1	175.8	160.5	-109.4	0	0	0	112.2	E178 F179 T184 V185 S186 I206 V207 A223 F227 A268	E178-Y182 PolarHBondContact O-N 3.37Å; F179-Y182 AromaticContact CD2-CD1 3.86Å; F179-Y182 HydrophobicContact CD2-CD1 3.86Å; F179-Y182 AromaticContact CE2-CD1 3.76Å; F179-Y182 HydrophobicContact CE2-CD1 3.76Å; F179-Y182 AromaticContact CE2-CE1 3.99Å; F179-Y182 HydrophobicContact CE2-CE1 3.99Å; F179-Y182 WeakPolarHBondContact O-CB 3.33Å; F179-Y182 PolarHBondContact O-N 2.79Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 3.31Å; Y182-V185 PolarHBondContact O-N 3.3Å; Y182-S186 VanDerWaalsContact CD2-OG 3.28Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.38Å; Y182-S186 WeakPolarHBondContact CE2-OG 2.91Å; Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.31Å; Y182-S186 PolarHBondContact O-N 3.47Å; Y182-S186 PolarHBondContact O-OG 3.03Å; Y182-I206 PolarHBondContact OH-O 2.63Å; Y182-V207 HydrophobicContact CE1-CB 4.24Å; Y182-V207 HydrophobicContact CE1-CG1 4.02Å; Y182-A223 HydrophobicContact CD1-CB 4.04Å; Y182-A223 HydrophobicContact CE1-CB 3.68Å; Y182-F227 HydrophobicContact CD2-CB 3.94Å; Y182-F227 HydrophobicContact CD2-CD1 4.49Å; Y182-F227 AromaticContact CD2-CD2 3.76Å; Y182-F227 HydrophobicContact CD2-CD2 3.76Å; Y182-F227 HydrophobicContact CD2-CE2 4.41Å; Y182-F227 AromaticContact CD2-CG 3.82Å; Y182-F227 HydrophobicContact CD2-CG 3.82Å; Y182-F227 HydrophobicContact CG-CB 4.43Å; Y182-F227 HydrophobicContact CG-CG 4.32Å; Y182-A268 HydrophobicContact CD2-CB 4.4Å; Y182-A268 HydrophobicContact CE2-CB 3.66Å
183	L	91.7	Very high	85.2	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-39.3	177.3	-70.2	-179.5	0	0	0	111.5	F179 E180 E181 S186 R187 V207	F179-L183 HydrophobicContact CD1-CD1 3.87Å; F179-L183 HydrophobicContact CD1-CG 4.29Å; F179-L183 HydrophobicContact CE1-CD1 3.67Å; F179-L183 HydrophobicContact CE1-CD2 4.34Å; F179-L183 HydrophobicContact CE1-CG 4.12Å; F179-L183 HydrophobicContact CE2-CD2 4.4Å; F179-L183 HydrophobicContact CE2-CG 4.49Å; F179-L183 HydrophobicContact CZ-CD1 4.22Å; F179-L183 HydrophobicContact CZ-CD2 4.03Å; F179-L183 HydrophobicContact CZ-CG 4.21Å; F179-L183 VanDerWaalsContact O-CG 3.29Å; F179-L183 WeakPolarHBondContact O-CG 3.35Å; F179-L183 PolarHBondContact O-N 3.2Å; E180-L183 PolarHBondContact O-N 3.28Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 3.3Å; L183-S186 PolarHBondContact O-N 3.26Å; L183-R187 WeakPolarHBondContact O-CB 3.31Å; L183-R187 VanDerWaalsContact O-CG 3.24Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.35Å; L183-V207 HydrophobicContact CD2-CB 3.82Å; L183-V207 HydrophobicContact CD2-CG1 3.87Å; L183-V207 HydrophobicContact CD2-CG2 4.07Å
184	T	89.6	Confident	84.6	Confident	95 Å²	95	56.9 Å²	56.9	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-61.6	-44.6	177	-61.4	0	0	0	0	111.1	E180 E181 Y182 G188	E180-T184 WeakPolarHBondContact O-CB 3.19Å; E180-T184 PolarHBondContact O-N 3.36Å; E180-T184 PolarHBondContact O-OG1 3.08Å; E181-T184 WeakPolarHBondContact O-CB 3.3Å; E181-T184 PolarHBondContact O-N 3.25Å; E181-T184 VanDerWaalsContact O-N 3.16Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 3.31Å; T184-G188 WeakPolarHBondContact O-CA 3.42Å; T184-G188 PolarHBondContact O-N 2.95Å
185	V	88	Confident	84.1	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-51.2	177.1	175.2	0	0	0	0	110.9	E181 Y182 R187 G188 Q189 F227 D275	E181-V185 WeakPolarHBondContact O-CG2 3.37Å; E181-V185 PolarHBondContact O-N 3.03Å; Y182-V185 PolarHBondContact O-N 3.3Å; V185-R187 VanDerWaalsContact C-N 3.3Å; V185-R187 PolarHBondContact O-N 2.81Å; V185-G188 PolarHBondContact O-N 3.49Å; V185-Q189 HydrophobicContact CG1-CG 4.34Å; V185-Q189 WeakPolarHBondContact O-CB 3.5Å; V185-Q189 PolarHBondContact O-N 3Å; V185-Q189 VanDerWaalsContact O-N 3.08Å; V185-F227 HydrophobicContact CB-CE2 4.14Å; V185-F227 HydrophobicContact CB-CZ 4.22Å; V185-F227 HydrophobicContact CG1-CE2 4.09Å; V185-F227 HydrophobicContact CG2-CE2 4.24Å; V185-F227 HydrophobicContact CG2-CZ 3.86Å; V185-D275 HydrophobicContact CG1-CB 4.1Å; V185-D275 HydrophobicContact CG2-CB 4.25Å; V185-D275 WeakPolarHBondContact CG2-OD1 3.33Å
186	S	84.9	Confident	83.7	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-70	-26.2	-173.5	-56.4	0	0	0	0	113.1	Y182 L183 I191 S271	Y182-S186 VanDerWaalsContact CD2-OG 3.28Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.38Å; Y182-S186 WeakPolarHBondContact CE2-OG 2.91Å; Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.31Å; Y182-S186 PolarHBondContact O-N 3.47Å; Y182-S186 PolarHBondContact O-OG 3.03Å; L183-S186 PolarHBondContact O-N 3.26Å; S186-I191 WeakPolarHBondContact O-CG2 3.4Å; S186-S271 PolarHBondContact OG-OG 3.3Å
187	R	82	Confident	83	Confident	166 Å²	166	57.7 Å²	57.7	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-95.8	-36.2	175.2	-63.1	174	178.1	160.1	1.9	112.8	L183 V185	L183-R187 WeakPolarHBondContact O-CB 3.31Å; L183-R187 VanDerWaalsContact O-CG 3.24Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.35Å; V185-R187 VanDerWaalsContact C-N 3.3Å; V185-R187 PolarHBondContact O-N 2.81Å
188	G	66.6	Low	82	Confident	62 Å²	62	52.3 Å²	52.3	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-88.6	-27.7	-169	0	0	0	0	0	115.1	T184 V185 N190	T184-G188 WeakPolarHBondContact O-CA 3.42Å; T184-G188 PolarHBondContact O-N 2.95Å; V185-G188 PolarHBondContact O-N 3.49Å; G188-N190 VanDerWaalsContact C-N 3.3Å; G188-N190 PolarHBondContact O-N 3.4Å
189	Q	58.2	Low	81.2	Confident	42 Å²	42	56.4 Å²	56.4	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-87.4	13	-173	-68.4	-166.9	-7.9	0	0	115.2	V185 I191 D275	V185-Q189 HydrophobicContact CG1-CG 4.34Å; V185-Q189 WeakPolarHBondContact O-CB 3.5Å; V185-Q189 PolarHBondContact O-N 3Å; V185-Q189 VanDerWaalsContact O-N 3.08Å; Q189-I191 PolarHBondContact O-N 3.41Å; Q189-D275 PolarHBondContact NE2-O 2.87Å
190	N	62.9	Low	80.3	Confident	101 Å²	101	58.6 Å²	58.6	54%	0.54	34%	0.337	S	S	.	.			trans	48.9	41.9	-170.5	-153	5.3	0	0	0	110.3	G188 T192 S193 R194	G188-N190 VanDerWaalsContact C-N 3.3Å; G188-N190 PolarHBondContact O-N 3.4Å; N190-T192 PolarHBondContact O-N 3.18Å; N190-T192 VanDerWaalsContact O-N 3.12Å; N190-S193 WeakPolarHBondContact CB-OG 3.48Å; N190-S193 VanDerWaalsContact ND2-CB 3.32Å; N190-S193 WeakPolarHBondContact ND2-CB 2.75Å; N190-S193 PolarHBondContact ND2-OG 3.12Å; N190-S193 WeakPolarHBondContact O-CA 3.17Å; N190-S193 WeakPolarHBondContact O-CB 2.93Å; N190-S193 PolarHBondContact O-N 2.87Å; N190-S193 PolarHBondContact O-OG 3.47Å; N190-S193 WeakPolarHBondContact OD1-CB 3.09Å; N190-S193 PolarHBondContact OD1-OG 2.85Å; N190-R194 PolarHBondContact O-N 2.83Å
191	I	75	Confident	79.4	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-53.2	-38.8	179.8	-166.8	169.6	0	0	0	109.5	S186 Q189 S193 R194 L195 S271 L274	S186-I191 WeakPolarHBondContact O-CG2 3.4Å; Q189-I191 PolarHBondContact O-N 3.41Å; I191-S193 PolarHBondContact O-N 2.91Å; I191-R194 CarbonylContact O-C 3.45Å; I191-R194 VanDerWaalsContact O-CA 3.3Å; I191-R194 WeakPolarHBondContact O-CA 3.29Å; I191-R194 WeakPolarHBondContact O-CB 3.33Å; I191-R194 PolarHBondContact O-N 2.83Å; I191-L195 HydrophobicContact CG1-CD1 4.1Å; I191-L195 HydrophobicContact CG1-CG 4.18Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.43Å; I191-L195 PolarHBondContact O-N 2.94Å; I191-S271 WeakPolarHBondContact CD1-OG 3.44Å; I191-L274 HydrophobicContact CD1-CD1 4.25Å; I191-L274 HydrophobicContact CG1-CD1 4.06Å
192	T	73.7	Confident	78.4	Confident	68 Å²	68	57.9 Å²	57.9	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-52.7	-37.4	173.1	-39.9	0	0	0	0	113.1	N190 R194 L195 I197	N190-T192 PolarHBondContact O-N 3.18Å; N190-T192 VanDerWaalsContact O-N 3.12Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 2.84Å; T192-L195 PolarHBondContact O-N 2.96Å; T192-L195 VanDerWaalsContact O-O 3.1Å; T192-I197 HydrophobicContact CG2-CD1 3.69Å
193	S	76.1	Confident	77.5	Confident	70 Å²	70	65.1 Å²	65.1	49%	0.49	37%	0.372	S	S	.	.	H	α-helix	trans	-74.8	-19.2	174.2	72.5	0	0	0	0	113.9	N190 I191	N190-S193 WeakPolarHBondContact CB-OG 3.48Å; N190-S193 VanDerWaalsContact ND2-CB 3.32Å; N190-S193 WeakPolarHBondContact ND2-CB 2.75Å; N190-S193 PolarHBondContact ND2-OG 3.12Å; N190-S193 WeakPolarHBondContact O-CA 3.17Å; N190-S193 WeakPolarHBondContact O-CB 2.93Å; N190-S193 PolarHBondContact O-N 2.87Å; N190-S193 PolarHBondContact O-OG 3.47Å; N190-S193 WeakPolarHBondContact OD1-CB 3.09Å; N190-S193 PolarHBondContact OD1-OG 2.85Å; I191-S193 PolarHBondContact O-N 2.91Å
194	R	81.1	Confident	76.7	Confident	69 Å²	69	67.4 Å²	67.4	26%	0.26	38%	0.384	S	S	.	.	H	α-helix	trans	-90	-5.3	172.5	-60.7	-169.8	-179.5	-178.5	6.4	112.4	N190 I191 T192 N277 P284 I285	N190-R194 PolarHBondContact O-N 2.83Å; I191-R194 CarbonylContact O-C 3.45Å; I191-R194 VanDerWaalsContact O-CA 3.3Å; I191-R194 WeakPolarHBondContact O-CA 3.29Å; I191-R194 WeakPolarHBondContact O-CB 3.33Å; I191-R194 PolarHBondContact O-N 2.83Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 2.84Å; R194-N277 PolarHBondContact NH2-OD1 3.02Å; R194-P284 CarbonylContact O-C 3.56Å; R194-P284 WeakPolarHBondContact O-CA 3.37Å; R194-I285 PolarHBondContact O-N 3.37Å
195	L	84.2	Confident	76.3	Confident	11 Å²	11	67 Å²	67	6%	0.058	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.6	179	-63.6	173.3	0	0	0	109.7	I191 T192 I197 I267 V270 I285 L287	I191-L195 HydrophobicContact CG1-CD1 4.1Å; I191-L195 HydrophobicContact CG1-CG 4.18Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.43Å; I191-L195 PolarHBondContact O-N 2.94Å; T192-L195 PolarHBondContact O-N 2.96Å; T192-L195 VanDerWaalsContact O-O 3.1Å; L195-I197 HydrophobicContact CB-CG1 4.01Å; L195-I197 PolarHBondContact O-N 3.03Å; L195-I267 HydrophobicContact CD1-CD1 3.74Å; L195-I267 HydrophobicContact CD2-CD1 4.45Å; L195-V270 HydrophobicContact CD2-CG1 4.49Å; L195-I285 HydrophobicContact CD2-CB 3.97Å; L195-I285 HydrophobicContact CD2-CD1 4.19Å; L195-I285 HydrophobicContact CD2-CG2 4.26Å; L195-L287 HydrophobicContact CB-CD1 4.19Å; L195-L287 HydrophobicContact CD1-CD1 4.45Å; L195-L287 HydrophobicContact CD2-CD1 4.4Å; L195-L287 HydrophobicContact CD2-CD2 4.1Å; L195-L287 HydrophobicContact CD2-CG 4.39Å
196	N	86	Confident	76	Confident	97 Å²	97	68.5 Å²	68.5	52%	0.519	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	87	165.1	-173.6	15.8	0	0	0	108.9	P198 P284 I285 L287	N196-P198 WeakPolarHBondContact O-CD 3.45Å; N196-P284 HydrophobicContact CB-CB 4.22Å; N196-I285 PolarHBondContact N-O 2.66Å; N196-L287 WeakPolarHBondContact O-CB 3.36Å
197	I	79	Confident	76	Confident	45 Å²	45	69.6 Å²	69.6	23%	0.231	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-72.5	121.3	-177.8	-58.8	178.3	0	0	0	109.8	T192 L195 F201 L287	T192-I197 HydrophobicContact CG2-CD1 3.69Å; L195-I197 HydrophobicContact CB-CG1 4.01Å; L195-I197 PolarHBondContact O-N 3.03Å; I197-F201 HydrophobicContact CG2-CB 3.91Å; I197-L287 HydrophobicContact CG1-CD1 4.07Å
198	P	76.1	Confident	76	Confident	29 Å²	29	62.1 Å²	62.1	19%	0.188	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.1	152.5	-178.5	-17.3	33.8	0	0	0	110.9	N196 G200 F201 L287	N196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-G200 PolarHBondContact O-N 2.81Å; P198-F201 HydrophobicContact CB-CD2 3.94Å; P198-F201 HydrophobicContact CB-CE2 4.48Å; P198-F201 HydrophobicContact CG-CD2 4.37Å; P198-F201 WeakPolarHBondContact O-CB 3.25Å; P198-F201 PolarHBondContact O-N 2.76Å; P198-L287 HydrophobicContact CG-CB 4.01Å; P198-L287 WeakPolarHBondContact CG-O 3.42Å
199	P	76.5	Confident	76.2	Confident	120 Å²	120	60.4 Å²	60.4	78%	0.779	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	134	173.5	-26.3	34.6	0	0	0	112.4	E202	P199-E202 WeakPolarHBondContact CA-OE1 3.44Å
200	G	75.6	Confident	76.5	Confident	58 Å²	58	60.6 Å²	60.6	60%	0.598	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-5.5	-179.5	0	0	0	0	0	115.1	P198 E202	P198-G200 PolarHBondContact O-N 2.81Å; G200-E202 WeakPolarHBondContact CA-OE2 3.41Å; G200-E202 VanDerWaalsContact N-CD 3.32Å; G200-E202 PolarHBondContact N-OE1 2.85Å; G200-E202 VanDerWaalsContact N-OE1 3.09Å; G200-E202 PolarHBondContact N-OE2 3.06Å
201	F	73.8	Confident	76.7	Confident	41 Å²	41	62.3 Å²	62.3	18%	0.18	37%	0.366	C	S	.	.			trans	-103.4	2.8	178.6	-68.7	-92.9	0	0	0	113.3	I197 P198 N203 L204 F256 N289	I197-F201 HydrophobicContact CG2-CB 3.91Å; P198-F201 HydrophobicContact CB-CD2 3.94Å; P198-F201 HydrophobicContact CB-CE2 4.48Å; P198-F201 HydrophobicContact CG-CD2 4.37Å; P198-F201 WeakPolarHBondContact O-CB 3.25Å; P198-F201 PolarHBondContact O-N 2.76Å; F201-N203 PolarHBondContact O-N 3.25Å; F201-L204 HydrophobicContact CB-CG 4.46Å; F201-L204 HydrophobicContact CD1-CD1 3.45Å; F201-L204 VanDerWaalsContact CD1-CD1 3.45Å; F201-L204 HydrophobicContact CD1-CG 4.01Å; F201-L204 HydrophobicContact CE1-CD1 4.06Å; F201-L204 HydrophobicContact CG-CD1 4.47Å; F201-L204 PolarHBondContact O-N 3.03Å; F201-L204 VanDerWaalsContact O-N 3.1Å; F201-F256 AromaticContact CD1-CE2 3.83Å; F201-F256 HydrophobicContact CD1-CE2 3.83Å; F201-F256 AromaticContact CD1-CZ 3.95Å; F201-F256 HydrophobicContact CD1-CZ 3.95Å; F201-F256 AromaticContact CE1-CE2 3.53Å; F201-F256 HydrophobicContact CE1-CE2 3.53Å; F201-F256 HydrophobicContact CE1-CZ 4.03Å; F201-F256 HydrophobicContact CZ-CE2 4.28Å; F201-N289 HydrophobicContact CE1-CB 4.16Å; F201-N289 HydrophobicContact CE2-CB 4.04Å; F201-N289 HydrophobicContact CZ-CB 3.48Å; F201-N289 VanDerWaalsContact CZ-CB 3.48Å
202	E	73.1	Confident	76.6	Confident	119 Å²	119	68.9 Å²	68.9	56%	0.556	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.4	-176.2	-51.7	84.9	172.1	0	0	112.4	P199 G200	P199-E202 WeakPolarHBondContact CA-OE1 3.44Å; G200-E202 WeakPolarHBondContact CA-OE2 3.41Å; G200-E202 VanDerWaalsContact N-CD 3.32Å; G200-E202 PolarHBondContact N-OE1 2.85Å; G200-E202 VanDerWaalsContact N-OE1 3.09Å; G200-E202 PolarHBondContact N-OE2 3.06Å
203	N	74.1	Confident	77	Confident	151 Å²	151	67.2 Å²	67.2	81%	0.807	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.7	179.6	-65.3	-44.5	0	0	0	113.7	F201	F201-N203 PolarHBondContact O-N 3.25Å
204	L	74.5	Confident	77.5	Confident	54 Å²	54	68.5 Å²	68.5	28%	0.283	38%	0.384	S	S	.	.	S	Bend	trans	-71.1	141.1	178.4	-67.2	-159.4	0	0	0	111.1	F201 I206 F263	F201-L204 HydrophobicContact CB-CG 4.46Å; F201-L204 HydrophobicContact CD1-CD1 3.45Å; F201-L204 VanDerWaalsContact CD1-CD1 3.45Å; F201-L204 HydrophobicContact CD1-CG 4.01Å; F201-L204 HydrophobicContact CE1-CD1 4.06Å; F201-L204 HydrophobicContact CG-CD1 4.47Å; F201-L204 PolarHBondContact O-N 3.03Å; F201-L204 VanDerWaalsContact O-N 3.1Å; L204-I206 PolarHBondContact O-N 2.85Å; L204-F263 HydrophobicContact CB-CD1 3.72Å; L204-F263 HydrophobicContact CB-CE1 3.43Å; L204-F263 VanDerWaalsContact CB-CE1 3.43Å; L204-F263 HydrophobicContact CB-CG 4.45Å; L204-F263 HydrophobicContact CB-CZ 3.96Å; L204-F263 HydrophobicContact CD1-CB 3.92Å; L204-F263 HydrophobicContact CD1-CD1 3.52Å; L204-F263 HydrophobicContact CD1-CD2 3.71Å; L204-F263 HydrophobicContact CD1-CE1 3.9Å; L204-F263 HydrophobicContact CD1-CE2 4.06Å; L204-F263 HydrophobicContact CD1-CG 3.41Å; L204-F263 VanDerWaalsContact CD1-CG 3.41Å; L204-F263 HydrophobicContact CD1-CZ 4.14Å; L204-F263 HydrophobicContact CG-CD1 4.3Å; L204-F263 HydrophobicContact CG-CE1 4.33Å
205	Q	80.7	Confident	77.8	Confident	86 Å²	86	72.3 Å²	72.3	40%	0.402	40%	0.398	S	S	.	.			trans	-75.6	110.3	177.7	-64.2	177.7	-2.9	0	0	109.2	V207 Q260	Q205-V207 PolarHBondContact O-N 2.89Å; Q205-Q260 PolarHBondContact O-NE2 3.49Å
206	I	82.6	Confident	78.1	Confident	41 Å²	41	72.7 Å²	72.7	21%	0.21	40%	0.403	C	S	.	.	S	Bend	trans	-61.9	-35.1	177	-65.6	178.7	0	0	0	110.9	Y182 L204 I267	Y182-I206 PolarHBondContact OH-O 2.63Å; L204-I206 PolarHBondContact O-N 2.85Å; I206-I267 HydrophobicContact CG2-CG2 3.57Å
207	V	84.5	Confident	78.4	Confident	28 Å²	28	70.5 Å²	70.5	17%	0.17	39%	0.389	C	S	.	.	S	Bend	trans	-121.7	147.6	-179.7	-58.4	0	0	0	0	110.4	Y182 L183 Q205	Y182-V207 HydrophobicContact CE1-CB 4.24Å; Y182-V207 HydrophobicContact CE1-CG1 4.02Å; L183-V207 HydrophobicContact CD2-CB 3.82Å; L183-V207 HydrophobicContact CD2-CG1 3.87Å; L183-V207 HydrophobicContact CD2-CG2 4.07Å; Q205-V207 PolarHBondContact O-N 2.89Å
208	P	82.7	Confident	79	Confident	10 Å²	10	68.6 Å²	68.6	7%	0.065	38%	0.379	C	S	.	.			trans	-55	141.1	173.1	-25.3	34.5	0	0	0	112.1	F179 G210 L218 A223	F179-P208 HydrophobicContact CE2-CG 4.4Å; F179-P208 HydrophobicContact CZ-CB 4.45Å; P208-G210 PolarHBondContact O-N 2.91Å; P208-L218 HydrophobicContact CG-CB 4.41Å; P208-L218 HydrophobicContact CG-CD2 4.14Å; P208-L218 HydrophobicContact CG-CG 4.39Å; P208-A223 HydrophobicContact CG-CB 3.79Å
209	G	69.4	Low	79.9	Confident	25 Å²	25	67.2 Å²	67.2	26%	0.258	37%	0.37	S	S	.	.			trans	-68.5	97.1	171.1	0	0	0	0	0	109.8	N211 K212	G209-N211 VanDerWaalsContact C-N 3.27Å; G209-N211 PolarHBondContact O-N 2.77Å; G209-K212 PolarHBondContact O-N 2.68Å
210	G	65.7	Low	80.7	Confident	46 Å²	46	62 Å²	62	47%	0.474	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-42.3	-165.4	0	0	0	0	0	116.4	P208	P208-G210 PolarHBondContact O-N 2.91Å
211	N	66	Low	81.5	Confident	137 Å²	137	59.8 Å²	59.8	73%	0.733	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	5.6	179.6	64.8	-13.4	0	0	0	114.7	G209	G209-N211 VanDerWaalsContact C-N 3.27Å; G209-N211 PolarHBondContact O-N 2.77Å
212	K	74.3	Confident	82.6	Confident	142 Å²	142	57.8 Å²	57.8	62%	0.617	30%	0.301	S	S	*	.			trans	-106.5	97.5	-177.5	-67	-175.4	-178.5	179	0	109.9	G209 Q214	G209-K212 PolarHBondContact O-N 2.68Å; K212-Q214 PolarHBondContact O-N 2.93Å
213	C	81.5	Confident	83.6	Confident	33 Å²	33	52.1 Å²	52.1	22%	0.223	28%	0.275	C	S	.	.			trans	-77.3	70.7	175	-74.2	0	0	0	0	112.5	F160 C168	F160-C213 HydrophobicContact CD1-CB 4Å; F160-C213 HydrophobicContact CD2-CB 4.27Å; F160-C213 HydrophobicContact CE1-CB 3.94Å; F160-C213 WeakPolarHBondContact CE1-SG 3.21Å; F160-C213 HydrophobicContact CE2-CB 4.19Å; F160-C213 HydrophobicContact CG-CB 4.17Å; F160-C213 HydrophobicContact CZ-CB 4.02Å; F160-C213 WeakPolarHBondContact CZ-SG 3.29Å; C168-C213 WeakPolarHBondContact CA-SG 3.21Å; C168-C213 HydrophobicContact CB-CB 4.3Å; C168-C213 WeakPolarHBondContact CB-SG 3.31Å; C168-C213 WeakPolarHBondContact SG-CB 3.37Å; C168-C213 PolarHBondContact SG-N 3.07Å; C168-C213 VanDerWaalsContact SG-N 3.36Å; C168-C213 CovalentContact SG-SG 2Å; C168-C213 PolarHBondContact SG-SG 3.26Å
214	Q	86.4	Confident	84.7	Confident	97 Å²	97	45 Å²	45	45%	0.453	24%	0.237	S	C	.	.			trans	-76.8	127.6	177.6	-171.8	165.4	-3.9	0	0	110.3	F160 K212 A216 F217	F160-Q214 WeakPolarHBondContact CD2-O 3.29Å; K212-Q214 PolarHBondContact O-N 2.93Å; Q214-A216 PolarHBondContact O-N 3.22Å; Q214-F217 HydrophobicContact CB-CB 4.08Å; Q214-F217 HydrophobicContact CB-CD1 3.92Å; Q214-F217 HydrophobicContact CB-CD2 4.04Å; Q214-F217 HydrophobicContact CB-CE1 4.4Å; Q214-F217 HydrophobicContact CB-CG 3.74Å; Q214-F217 VanDerWaalsContact CD-CE2 3.41Å; Q214-F217 HydrophobicContact CG-CD1 4.09Å; Q214-F217 HydrophobicContact CG-CD2 3.62Å; Q214-F217 HydrophobicContact CG-CE1 4.16Å; Q214-F217 HydrophobicContact CG-CE2 3.71Å; Q214-F217 HydrophobicContact CG-CG 3.84Å; Q214-F217 HydrophobicContact CG-CZ 4Å; Q214-F217 WeakPolarHBondContact O-CB 3.45Å; Q214-F217 PolarHBondContact O-N 3.09Å; Q214-F217 VanDerWaalsContact OE1-CZ 3.32Å
215	R	87.7	Confident	85.7	Confident	148 Å²	148	42.7 Å²	42.7	56%	0.558	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.8	133.9	176.8	177.7	-171.9	-76.8	165.8	-0.1	111.4	G161 L162 Y163 F217	G161-R215 WeakPolarHBondContact O-CG 3.34Å; L162-R215 WeakPolarHBondContact O-CD 3.44Å; L162-R215 VanDerWaalsContact O-CG 3.25Å; L162-R215 WeakPolarHBondContact O-CG 3.49Å; L162-R215 PolarHBondContact O-NE 3.19Å; Y163-R215 PolarHBondContact O-NH2 3.08Å; R215-F217 WeakPolarHBondContact O-CD2 3.24Å; R215-F217 PolarHBondContact O-N 3.05Å; R215-F217 VanDerWaalsContact O-N 3.07Å
216	A	89.4	Confident	86.5	Confident	19 Å²	19	38.6 Å²	38.6	16%	0.157	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	6.4	178.4	0	0	0	0	0	116.4	F160 G161 L162 Q214 R261	F160-A216 WeakPolarHBondContact O-CA 3.34Å; F160-A216 PolarHBondContact O-N 2.92Å; F160-A216 VanDerWaalsContact O-N 3.15Å; G161-A216 PolarHBondContact O-N 3.3Å; L162-A216 HydrophobicContact CD2-CB 3.52Å; Q214-A216 PolarHBondContact O-N 3.22Å; A216-R261 WeakPolarHBondContact O-CD 3.47Å
217	F	91.9	Very high	87.1	Confident	51 Å²	51	36.9 Å²	36.9	22%	0.224	20%	0.196	C	C	.	.	S	Bend	trans	-85.8	153.7	173.4	-79.1	-141.7	0	0	0	109.9	R159 F160 Q214 R215 S219 Q260	R159-F217 VanDerWaalsContact CA-O 3.27Å; R159-F217 WeakPolarHBondContact CA-O 3.24Å; R159-F217 WeakPolarHBondContact CB-O 3.47Å; F160-F217 PolarHBondContact N-O 2.63Å; Q214-F217 HydrophobicContact CB-CB 4.08Å; Q214-F217 HydrophobicContact CB-CD1 3.92Å; Q214-F217 HydrophobicContact CB-CD2 4.04Å; Q214-F217 HydrophobicContact CB-CE1 4.4Å; Q214-F217 HydrophobicContact CB-CG 3.74Å; Q214-F217 VanDerWaalsContact CD-CE2 3.41Å; Q214-F217 HydrophobicContact CG-CD1 4.09Å; Q214-F217 HydrophobicContact CG-CD2 3.62Å; Q214-F217 HydrophobicContact CG-CE1 4.16Å; Q214-F217 HydrophobicContact CG-CE2 3.71Å; Q214-F217 HydrophobicContact CG-CG 3.84Å; Q214-F217 HydrophobicContact CG-CZ 4Å; Q214-F217 WeakPolarHBondContact O-CB 3.45Å; Q214-F217 PolarHBondContact O-N 3.09Å; Q214-F217 VanDerWaalsContact OE1-CZ 3.32Å; R215-F217 WeakPolarHBondContact O-CD2 3.24Å; R215-F217 PolarHBondContact O-N 3.05Å; R215-F217 VanDerWaalsContact O-N 3.07Å; F217-S219 PolarHBondContact O-N 2.94Å; F217-Q260 HydrophobicContact CD1-CB 4.47Å; F217-Q260 HydrophobicContact CD1-CG 3.72Å; F217-Q260 HydrophobicContact CD2-CB 4.45Å; F217-Q260 HydrophobicContact CE1-CB 4.21Å; F217-Q260 HydrophobicContact CE1-CG 3.58Å; F217-Q260 HydrophobicContact CE2-CB 4.17Å; F217-Q260 HydrophobicContact CE2-CG 4.4Å; F217-Q260 HydrophobicContact CG-CG 4.2Å; F217-Q260 HydrophobicContact CZ-CB 4.03Å; F217-Q260 HydrophobicContact CZ-CG 3.92Å
218	L	93.5	Very high	87.7	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-57.6	133.1	173.5	-165.7	72	0	0	0	109.8	D158 P208 A223 R261 A264 S265	D158-L218 WeakPolarHBondContact O-CD1 2.98Å; P208-L218 HydrophobicContact CG-CB 4.41Å; P208-L218 HydrophobicContact CG-CD2 4.14Å; P208-L218 HydrophobicContact CG-CG 4.39Å; L218-A223 HydrophobicContact CD2-CB 3.95Å; L218-R261 HydrophobicContact CB-CB 4.45Å; L218-A264 HydrophobicContact CB-CB 4.13Å; L218-A264 HydrophobicContact CD2-CB 3.71Å; L218-S265 WeakPolarHBondContact CD1-OG 3.29Å
219	S	93.2	Very high	88.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-83.8	166.4	173.4	80.3	0	0	0	0	110.3	D158 F217 R221 G222 A223	D158-S219 PolarHBondContact O-N 3.34Å; D158-S219 PolarHBondContact O-OG 3.39Å; D158-S219 VanDerWaalsContact OD2-CB 3.3Å; D158-S219 WeakPolarHBondContact OD2-CB 3.02Å; D158-S219 PolarHBondContact OD2-OG 3.21Å; F217-S219 PolarHBondContact O-N 2.94Å; S219-R221 PolarHBondContact O-N 2.92Å; S219-R221 PolarHBondContact OG-N 3.4Å; S219-G222 PolarHBondContact O-N 3.19Å; S219-G222 VanDerWaalsContact O-N 3.14Å; S219-G222 PolarHBondContact OG-N 3.26Å; S219-A223 PolarHBondContact O-N 3.49Å
220	P	93.6	Very high	89.6	Confident	10 Å²	10	34.5 Å²	34.5	7%	0.065	18%	0.178	C	C	.	.	H	α-helix	trans	-55.2	-38.4	168.3	-26.5	35.6	0	0	0	112.8	L171 F179 G222 A223 I224	L171-P220 HydrophobicContact CD1-CB 3.85Å; L171-P220 HydrophobicContact CD1-CG 4.45Å; L171-P220 HydrophobicContact CD2-CB 4.06Å; F179-P220 HydrophobicContact CD1-CB 4.12Å; F179-P220 HydrophobicContact CD2-CB 3.73Å; F179-P220 HydrophobicContact CE1-CB 4.03Å; F179-P220 HydrophobicContact CE1-CG 4.28Å; F179-P220 HydrophobicContact CE2-CB 3.66Å; F179-P220 HydrophobicContact CE2-CG 4.39Å; F179-P220 HydrophobicContact CG-CB 3.98Å; F179-P220 HydrophobicContact CZ-CB 3.81Å; F179-P220 HydrophobicContact CZ-CG 4.1Å; P220-G222 VanDerWaalsContact C-N 3.33Å; P220-G222 PolarHBondContact O-N 3.27Å; P220-A223 PolarHBondContact O-N 2.56Å; P220-I224 VanDerWaalsContact O-CG1 3.3Å; P220-I224 WeakPolarHBondContact O-CG1 3.32Å; P220-I224 PolarHBondContact O-N 3.19Å
221	R	93.8	Very high	90.9	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.045	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-41.3	175.4	-65.8	-179.4	176.8	90.7	7	111.7	D158 S169 E170 L171 E175 S219 A223 I224 Q225 C363	D158-R221 HydrophobicContact CB-CB 4.3Å; S169-R221 PolarHBondContact OG-NH1 3.41Å; E170-R221 PolarHBondContact O-NH2 2.82Å; L171-R221 HydrophobicContact CD2-CG 4.01Å; E175-R221 IonicContact OE1-CZ 3.23Å; E175-R221 IonicContact OE1-NE 3.93Å; E175-R221 PolarHBondContact OE1-NE 2.83Å; E175-R221 IonicContact OE1-NH2 2.76Å; E175-R221 IonicContact OE2-CZ 3.41Å; E175-R221 VanDerWaalsContact OE2-CZ 3.28Å; E175-R221 IonicContact OE2-NE 3.45Å; E175-R221 PolarHBondContact OE2-NE 3.19Å; E175-R221 VanDerWaalsContact OE2-NE 3.09Å; E175-R221 IonicContact OE2-NH2 2.95Å; E175-R221 PolarHBondContact OE2-NH2 3.06Å; S219-R221 PolarHBondContact O-N 2.92Å; S219-R221 PolarHBondContact OG-N 3.4Å; R221-A223 VanDerWaalsContact C-N 3.35Å; R221-A223 PolarHBondContact O-N 2.94Å; R221-I224 PolarHBondContact O-N 3.06Å; R221-Q225 VanDerWaalsContact O-CG 3.31Å; R221-Q225 WeakPolarHBondContact O-CG 3.2Å; R221-Q225 PolarHBondContact O-N 3.36Å; R221-C363 WeakPolarHBondContact CD-O 3.14Å
222	G	95.2	Very high	92.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-37.4	176.7	0	0	0	0	0	113.2	D158 S219 P220 Q225 E226	D158-G222 WeakPolarHBondContact O-CA 3.07Å; S219-G222 PolarHBondContact O-N 3.19Å; S219-G222 VanDerWaalsContact O-N 3.14Å; S219-G222 PolarHBondContact OG-N 3.26Å; P220-G222 VanDerWaalsContact C-N 3.33Å; P220-G222 PolarHBondContact O-N 3.27Å; G222-Q225 PolarHBondContact O-N 2.86Å; G222-E226 WeakPolarHBondContact O-CG 3.14Å; G222-E226 PolarHBondContact O-N 3.34Å
223	A	95.6	Very high	93.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.6	-41.4	173.1	0	0	0	0	0	112	F179 Y182 P208 L218 S219 P220 R221 Q225 E226 F227 A268	F179-A223 HydrophobicContact CE2-CB 4.19Å; Y182-A223 HydrophobicContact CD1-CB 4.04Å; Y182-A223 HydrophobicContact CE1-CB 3.68Å; P208-A223 HydrophobicContact CG-CB 3.79Å; L218-A223 HydrophobicContact CD2-CB 3.95Å; S219-A223 PolarHBondContact O-N 3.49Å; P220-A223 PolarHBondContact O-N 2.56Å; R221-A223 VanDerWaalsContact C-N 3.35Å; R221-A223 PolarHBondContact O-N 2.94Å; A223-Q225 PolarHBondContact O-N 3.37Å; A223-E226 PolarHBondContact O-N 3.49Å; A223-F227 WeakPolarHBondContact O-CB 3.45Å; A223-F227 PolarHBondContact O-N 3.05Å; A223-A268 HydrophobicContact CB-CB 4.33Å
224	I	95.6	Very high	93.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-44.4	175.4	-65.9	164.7	0	0	0	111.2	V128 R131 E175 E178 F179 P220 R221 E226 F227 A228	V128-I224 HydrophobicContact CG2-CG2 4.01Å; R131-I224 VanDerWaalsContact NH1-CG2 3.35Å; E175-I224 HydrophobicContact CB-CD1 4.24Å; E175-I224 WeakPolarHBondContact O-CD1 3.32Å; E178-I224 HydrophobicContact CB-CD1 4.27Å; E178-I224 HydrophobicContact CB-CG1 4.25Å; E178-I224 HydrophobicContact CB-CG2 3.94Å; E178-I224 WeakPolarHBondContact OE2-CG2 3.44Å; F179-I224 HydrophobicContact CB-CD1 3.97Å; F179-I224 HydrophobicContact CB-CG1 4.15Å; F179-I224 HydrophobicContact CD2-CG1 4.26Å; P220-I224 VanDerWaalsContact O-CG1 3.3Å; P220-I224 WeakPolarHBondContact O-CG1 3.32Å; P220-I224 PolarHBondContact O-N 3.19Å; R221-I224 PolarHBondContact O-N 3.06Å; I224-E226 PolarHBondContact O-N 2.89Å; I224-F227 PolarHBondContact O-N 2.94Å; I224-A228 VanDerWaalsContact O-CB 3.25Å; I224-A228 WeakPolarHBondContact O-CB 3.42Å; I224-A228 PolarHBondContact O-N 3.08Å
225	Q	96.5	Very high	94.1	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.023	10%	0.103	C	C	.	.	H	α-helix	trans	-56.9	-50.9	178.7	-72.8	164.2	-3.2	0	0	111.7	C125 Q126 R221 G222 A223 A228 L229 A459	C125-Q225 PolarHBondContact O-NE2 3.3Å; Q126-Q225 HydrophobicContact CB-CG 4.2Å; R221-Q225 VanDerWaalsContact O-CG 3.31Å; R221-Q225 WeakPolarHBondContact O-CG 3.2Å; R221-Q225 PolarHBondContact O-N 3.36Å; G222-Q225 PolarHBondContact O-N 2.86Å; A223-Q225 PolarHBondContact O-N 3.37Å; Q225-A228 PolarHBondContact O-N 3.02Å; Q225-L229 WeakPolarHBondContact O-CB 3.46Å; Q225-L229 PolarHBondContact O-N 3.2Å; Q225-A459 HydrophobicContact CB-CB 4.33Å
226	E	97.1	Very high	94.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.5	-41.6	-179.1	-65.3	-76.1	-163.1	0	0	111.8	R155 H156 G157 G222 A223 I224 L229 G230 S265 A268 L269	R155-E226 VanDerWaalsContact O-OE1 3.11Å; H156-E226 VanDerWaalsContact C-OE1 3.25Å; H156-E226 WeakPolarHBondContact CA-OE1 3.07Å; G157-E226 PolarHBondContact N-OE1 2.91Å; G222-E226 WeakPolarHBondContact O-CG 3.14Å; G222-E226 PolarHBondContact O-N 3.34Å; A223-E226 PolarHBondContact O-N 3.49Å; I224-E226 PolarHBondContact O-N 2.89Å; E226-L229 WeakPolarHBondContact O-CB 3.06Å; E226-L229 PolarHBondContact O-N 3.11Å; E226-G230 PolarHBondContact O-N 3.19Å; E226-S265 WeakPolarHBondContact OE1-CB 3.41Å; E226-S265 PolarHBondContact OE1-OG 3.31Å; E226-A268 HydrophobicContact CB-CB 3.77Å; E226-L269 HydrophobicContact CB-CB 4.35Å; E226-L269 WeakPolarHBondContact O-CA 3.28Å
227	F	95.8	Very high	94.6	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.022	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-44.5	176.4	-179.6	-114.7	0	0	0	112.2	Y182 V185 A223 I224 G230 R231 A268 G272 D275	Y182-F227 HydrophobicContact CD2-CB 3.94Å; Y182-F227 HydrophobicContact CD2-CD1 4.49Å; Y182-F227 AromaticContact CD2-CD2 3.76Å; Y182-F227 HydrophobicContact CD2-CD2 3.76Å; Y182-F227 HydrophobicContact CD2-CE2 4.41Å; Y182-F227 AromaticContact CD2-CG 3.82Å; Y182-F227 HydrophobicContact CD2-CG 3.82Å; Y182-F227 HydrophobicContact CG-CB 4.43Å; Y182-F227 HydrophobicContact CG-CG 4.32Å; V185-F227 HydrophobicContact CB-CE2 4.14Å; V185-F227 HydrophobicContact CB-CZ 4.22Å; V185-F227 HydrophobicContact CG1-CE2 4.09Å; V185-F227 HydrophobicContact CG2-CE2 4.24Å; V185-F227 HydrophobicContact CG2-CZ 3.86Å; A223-F227 WeakPolarHBondContact O-CB 3.45Å; A223-F227 PolarHBondContact O-N 3.05Å; I224-F227 PolarHBondContact O-N 2.94Å; F227-G230 PolarHBondContact O-N 2.84Å; F227-R231 VanDerWaalsContact CZ-CZ 3.43Å; F227-R231 PolarHBondContact O-N 2.89Å; F227-R231 VanDerWaalsContact O-N 3.09Å; F227-A268 WeakPolarHBondContact CA-O 3.5Å; F227-G272 VanDerWaalsContact CD2-N 3.27Å; F227-G272 VanDerWaalsContact CE2-CA 3.48Å; F227-G272 WeakPolarHBondContact O-CA 3.31Å; F227-D275 HydrophobicContact CE2-CB 4.26Å; F227-D275 HydrophobicContact CZ-CB 4.3Å
228	A	96.1	Very high	94.5	Very high	13 Å²	13	17.2 Å²	17.2	11%	0.107	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-40.9	174.1	0	0	0	0	0	111.7	L133 I224 Q225 G230 R231 F232	L133-A228 HydrophobicContact CD1-CB 4.25Å; I224-A228 VanDerWaalsContact O-CB 3.25Å; I224-A228 WeakPolarHBondContact O-CB 3.42Å; I224-A228 PolarHBondContact O-N 3.08Å; Q225-A228 PolarHBondContact O-N 3.02Å; A228-G230 VanDerWaalsContact C-N 3.34Å; A228-G230 PolarHBondContact O-N 2.82Å; A228-R231 PolarHBondContact O-N 3.03Å; A228-F232 WeakPolarHBondContact O-CB 3.09Å; A228-F232 PolarHBondContact O-N 3.28Å
229	L	96.5	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-42.3	174.6	178.5	60.3	0	0	0	111.7	L133 V154 Q225 E226 F232 L233 L269 A459	L133-L229 HydrophobicContact CD2-CD1 4.42Å; V154-L229 HydrophobicContact CG1-CD2 3.69Å; Q225-L229 WeakPolarHBondContact O-CB 3.46Å; Q225-L229 PolarHBondContact O-N 3.2Å; E226-L229 WeakPolarHBondContact O-CB 3.06Å; E226-L229 PolarHBondContact O-N 3.11Å; L229-F232 HydrophobicContact CD1-CD1 4.2Å; L229-F232 WeakPolarHBondContact O-CB 3.26Å; L229-F232 PolarHBondContact O-N 3.44Å; L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CD2 4.42Å; L229-L233 HydrophobicContact CD1-CG 4.04Å; L229-L233 HydrophobicContact CG-CD1 4.17Å; L229-L233 HydrophobicContact CG-CG 4.37Å; L229-L233 WeakPolarHBondContact O-CG 3.48Å; L229-L233 PolarHBondContact O-N 2.75Å; L229-L269 HydrophobicContact CB-CD1 4.11Å; L229-L269 HydrophobicContact CD2-CD1 4Å; L229-L269 HydrophobicContact CG-CD1 3.85Å; L229-A459 HydrophobicContact CD2-CB 4.21Å
230	G	95.3	Very high	94.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-46.7	176.8	0	0	0	0	0	112.7	E226 F227 A228 F232 L233 Y234 L269 G272	E226-G230 PolarHBondContact O-N 3.19Å; F227-G230 PolarHBondContact O-N 2.84Å; A228-G230 VanDerWaalsContact C-N 3.34Å; A228-G230 PolarHBondContact O-N 2.82Å; G230-F232 VanDerWaalsContact C-N 3.32Å; G230-F232 PolarHBondContact O-N 2.83Å; G230-L233 PolarHBondContact O-N 2.95Å; G230-Y234 PolarHBondContact O-N 2.74Å; G230-L269 WeakPolarHBondContact CA-O 3.36Å; G230-G272 VanDerWaalsContact C-C 3.45Å
231	R	93.8	Very high	94	Very high	72 Å²	72	26.8 Å²	26.8	27%	0.272	14%	0.141	S	C	.	.	H	α-helix	trans	-59.5	-42.8	174	-76.9	179.2	164.7	168.7	-2	111.7	E181 F227 A228 Y234 S235 G272 D275	E181-R231 IonicContact OE2-CZ 3.36Å; E181-R231 IonicContact OE2-NH1 2.76Å; E181-R231 PolarHBondContact OE2-NH1 3.29Å; E181-R231 IonicContact OE2-NH2 3.65Å; F227-R231 VanDerWaalsContact CZ-CZ 3.43Å; F227-R231 PolarHBondContact O-N 2.89Å; F227-R231 VanDerWaalsContact O-N 3.09Å; A228-R231 PolarHBondContact O-N 3.03Å; R231-Y234 PolarHBondContact O-N 2.6Å; R231-S235 PolarHBondContact O-N 3.42Å; R231-G272 WeakPolarHBondContact CA-O 3.09Å; R231-G272 WeakPolarHBondContact CG-O 3.24Å; R231-G272 PolarHBondContact N-O 2.97Å; R231-D275 IonicContact CZ-OD2 2.76Å; R231-D275 IonicContact NE-OD2 2.63Å; R231-D275 PolarHBondContact NE-OD2 3.17Å; R231-D275 IonicContact NH2-OD1 3.09Å; R231-D275 IonicContact NH2-OD2 3.71Å; R231-D275 PolarHBondContact NH2-OD2 3.22Å
232	F	95.3	Very high	93.9	Very high	33 Å²	33	26.2 Å²	26.2	15%	0.145	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-50.5	179	173.1	-109.1	0	0	0	111.9	L133 Q134 A228 L229 G230 Y234 S235 L236	L133-F232 HydrophobicContact CB-CB 4.32Å; L133-F232 HydrophobicContact CB-CD1 4Å; L133-F232 HydrophobicContact CB-CD2 3.93Å; L133-F232 HydrophobicContact CB-CE1 4.3Å; L133-F232 HydrophobicContact CB-CE2 4.24Å; L133-F232 HydrophobicContact CB-CG 3.8Å; L133-F232 HydrophobicContact CB-CZ 4.42Å; L133-F232 HydrophobicContact CD1-CB 3.74Å; L133-F232 HydrophobicContact CD1-CD1 4.47Å; L133-F232 HydrophobicContact CD1-CG 4.12Å; L133-F232 WeakPolarHBondContact O-CE2 3.3Å; Q134-F232 VanDerWaalsContact C-CZ 3.46Å; A228-F232 WeakPolarHBondContact O-CB 3.09Å; A228-F232 PolarHBondContact O-N 3.28Å; L229-F232 HydrophobicContact CD1-CD1 4.2Å; L229-F232 WeakPolarHBondContact O-CB 3.26Å; L229-F232 PolarHBondContact O-N 3.44Å; G230-F232 VanDerWaalsContact C-N 3.32Å; G230-F232 PolarHBondContact O-N 2.83Å; F232-Y234 VanDerWaalsContact C-N 3.32Å; F232-Y234 PolarHBondContact O-N 3.12Å; F232-S235 WeakPolarHBondContact O-CB 2.94Å; F232-S235 PolarHBondContact O-N 3.09Å; F232-S235 VanDerWaalsContact O-N 3.08Å; F232-S235 PolarHBondContact O-OG 3.34Å; F232-L236 HydrophobicContact CD1-CD1 3.9Å; F232-L236 HydrophobicContact CD2-CD1 4.36Å; F232-L236 HydrophobicContact CE1-CD1 3.35Å; F232-L236 HydrophobicContact CE2-CD1 3.86Å; F232-L236 HydrophobicContact CE2-CD2 4.39Å; F232-L236 HydrophobicContact CE2-CG 4.26Å; F232-L236 HydrophobicContact CG-CD1 4.37Å; F232-L236 HydrophobicContact CZ-CD1 3.32Å; F232-L236 HydrophobicContact CZ-CD2 4.36Å; F232-L236 HydrophobicContact CZ-CG 4.17Å; F232-L236 PolarHBondContact O-N 2.89Å
233	L	95.2	Very high	93.6	Very high	9 Å²	9	26.8 Å²	26.8	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-43.4	176.7	-66.7	177.4	0	0	0	111.4	E137 L229 G230 S235 L236 Y237 L269	E137-L233 HydrophobicContact CG-CD2 4.32Å; L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CD2 4.42Å; L229-L233 HydrophobicContact CD1-CG 4.04Å; L229-L233 HydrophobicContact CG-CD1 4.17Å; L229-L233 HydrophobicContact CG-CG 4.37Å; L229-L233 WeakPolarHBondContact O-CG 3.48Å; L229-L233 PolarHBondContact O-N 2.75Å; G230-L233 PolarHBondContact O-N 2.95Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-S235 PolarHBondContact O-N 2.92Å; L233-L236 PolarHBondContact O-N 2.8Å; L233-L236 VanDerWaalsContact O-N 3.17Å; L233-Y237 HydrophobicContact CB-CD2 4.36Å; L233-Y237 HydrophobicContact CB-CE2 4.41Å; L233-Y237 HydrophobicContact CD2-CE2 4.21Å; L233-Y237 WeakPolarHBondContact O-CD2 3.2Å; L233-Y237 PolarHBondContact O-N 3.41Å; L233-Y237 VanDerWaalsContact O-N 3.08Å; L233-L269 HydrophobicContact CD1-CD1 4.36Å
234	Y	92.6	Very high	93.1	Very high	11 Å²	11	30.8 Å²	30.8	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-55.6	-44.8	174.6	-177.9	-105.9	0	0	0	111.8	G230 R231 F232 L236 Y237 K238 F243 L273 Q276 Q278 T279	G230-Y234 PolarHBondContact O-N 2.74Å; R231-Y234 PolarHBondContact O-N 2.6Å; F232-Y234 VanDerWaalsContact C-N 3.32Å; F232-Y234 PolarHBondContact O-N 3.12Å; Y234-L236 PolarHBondContact O-N 3.08Å; Y234-Y237 PolarHBondContact O-N 2.83Å; Y234-K238 HydrophobicContact CD1-CB 4.41Å; Y234-K238 HydrophobicContact CD2-CB 4.47Å; Y234-K238 HydrophobicContact CE1-CB 3.98Å; Y234-K238 HydrophobicContact CE1-CD 4.21Å; Y234-K238 HydrophobicContact CE2-CB 4.03Å; Y234-K238 WeakPolarHBondContact O-CB 3.37Å; Y234-K238 WeakPolarHBondContact O-CG 3.35Å; Y234-K238 PolarHBondContact O-N 3.34Å; Y234-F243 HydrophobicContact CD2-CE1 4.47Å; Y234-F243 HydrophobicContact CE2-CD1 4.47Å; Y234-L273 HydrophobicContact CD2-CD1 4.35Å; Y234-L273 WeakPolarHBondContact CD2-O 3.43Å; Y234-Q276 HydrophobicContact CD1-CB 3.96Å; Y234-Q276 HydrophobicContact CD1-CG 3.89Å; Y234-Q276 HydrophobicContact CE1-CB 3.57Å; Y234-Q276 HydrophobicContact CE1-CG 3.95Å; Y234-Q278 VanDerWaalsContact OH-CB 3.23Å; Y234-Q278 WeakPolarHBondContact OH-CB 3.39Å; Y234-Q278 PolarHBondContact OH-OE1 3.44Å; Y234-T279 HydrophobicContact CE2-CG2 3.73Å
235	S	92.6	Very high	92.3	Very high	60 Å²	60	32.8 Å²	32.8	42%	0.42	17%	0.174	S	C	.	.	H	α-helix	trans	-63.4	-27.1	-177.9	79.2	0	0	0	0	113.9	R231 F232 L233	R231-S235 PolarHBondContact O-N 3.42Å; F232-S235 WeakPolarHBondContact O-CB 2.94Å; F232-S235 PolarHBondContact O-N 3.09Å; F232-S235 VanDerWaalsContact O-N 3.08Å; F232-S235 PolarHBondContact O-OG 3.34Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-S235 PolarHBondContact O-N 2.92Å
236	L	94.3	Very high	91.6	Very high	31 Å²	31	36.9 Å²	36.9	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-83	-37.6	177.7	-64.4	163.3	0	0	0	111.9	E137 F232 L233 Y234	E137-L236 HydrophobicContact CB-CB 4.34Å; E137-L236 HydrophobicContact CB-CD1 3.76Å; E137-L236 HydrophobicContact CG-CD1 4.44Å; F232-L236 HydrophobicContact CD1-CD1 3.9Å; F232-L236 HydrophobicContact CD2-CD1 4.36Å; F232-L236 HydrophobicContact CE1-CD1 3.35Å; F232-L236 HydrophobicContact CE2-CD1 3.86Å; F232-L236 HydrophobicContact CE2-CD2 4.39Å; F232-L236 HydrophobicContact CE2-CG 4.26Å; F232-L236 HydrophobicContact CG-CD1 4.37Å; F232-L236 HydrophobicContact CZ-CD1 3.32Å; F232-L236 HydrophobicContact CZ-CD2 4.36Å; F232-L236 HydrophobicContact CZ-CG 4.17Å; F232-L236 PolarHBondContact O-N 2.89Å; L233-L236 PolarHBondContact O-N 2.8Å; L233-L236 VanDerWaalsContact O-N 3.17Å; Y234-L236 PolarHBondContact O-N 3.08Å
237	Y	93.7	Very high	90.7	Very high	6 Å²	6	45.3 Å²	45.3	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-97.3	-18.3	-172.4	-65.7	-62.9	0	0	0	115.2	E137 G138 L147 I150 L233 Y234 D239 T240 F243 V463 E465	E137-Y237 HydrophobicContact CB-CE1 4.11Å; E137-Y237 HydrophobicContact CB-CE2 4.13Å; E137-Y237 VanDerWaalsContact CB-OH 3.31Å; E137-Y237 WeakPolarHBondContact CB-OH 3.38Å; E137-Y237 HydrophobicContact CG-CE2 4.44Å; E137-Y237 VanDerWaalsContact CG-OH 3.29Å; E137-Y237 WeakPolarHBondContact CG-OH 3.5Å; G138-Y237 VanDerWaalsContact CA-CE1 3.48Å; G138-Y237 VanDerWaalsContact N-CE1 3.31Å; L147-Y237 HydrophobicContact CD2-CD1 3.7Å; L147-Y237 HydrophobicContact CD2-CE1 3.78Å; I150-Y237 HydrophobicContact CD1-CD1 3.54Å; I150-Y237 HydrophobicContact CD1-CD2 3.82Å; I150-Y237 HydrophobicContact CD1-CE1 3.38Å; I150-Y237 HydrophobicContact CD1-CE2 3.68Å; I150-Y237 HydrophobicContact CD1-CG 3.76Å; I150-Y237 VanDerWaalsContact CD1-CZ 3.46Å; I150-Y237 HydrophobicContact CG1-CE1 4.15Å; L233-Y237 HydrophobicContact CB-CD2 4.36Å; L233-Y237 HydrophobicContact CB-CE2 4.41Å; L233-Y237 HydrophobicContact CD2-CE2 4.21Å; L233-Y237 WeakPolarHBondContact O-CD2 3.2Å; L233-Y237 PolarHBondContact O-N 3.41Å; L233-Y237 VanDerWaalsContact O-N 3.08Å; Y234-Y237 PolarHBondContact O-N 2.83Å; Y237-D239 PolarHBondContact O-N 3.22Å; Y237-T240 HydrophobicContact CD1-CG2 4.36Å; Y237-T240 WeakPolarHBondContact O-CB 3.33Å; Y237-T240 WeakPolarHBondContact O-CG2 3.38Å; Y237-T240 PolarHBondContact O-N 2.9Å; Y237-T240 PolarHBondContact O-OG1 2.76Å; Y237-F243 HydrophobicContact CD2-CE2 4.46Å; Y237-F243 AromaticContact CG-CE2 4Å; Y237-F243 HydrophobicContact CG-CE2 4Å; Y237-F243 WeakPolarHBondContact O-CD2 3.05Å; Y237-V463 WeakPolarHBondContact OH-CG1 3.38Å; Y237-E465 WeakPolarHBondContact CE1-OE1 3.1Å; Y237-E465 PolarHBondContact OH-OE1 2.97Å
238	K	90	Very high	90	Very high	87 Å²	87	47.8 Å²	47.8	38%	0.378	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.6	-173.6	60.3	172.1	-171.5	170.5	0	114.7	Y234	Y234-K238 HydrophobicContact CD1-CB 4.41Å; Y234-K238 HydrophobicContact CD2-CB 4.47Å; Y234-K238 HydrophobicContact CE1-CB 3.98Å; Y234-K238 HydrophobicContact CE1-CD 4.21Å; Y234-K238 HydrophobicContact CE2-CB 4.03Å; Y234-K238 WeakPolarHBondContact O-CB 3.37Å; Y234-K238 WeakPolarHBondContact O-CG 3.35Å; Y234-K238 PolarHBondContact O-N 3.34Å
239	D	88.6	Confident	89.5	Confident	134 Å²	134	50.2 Å²	50.2	72%	0.717	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	3.2	-177	-58.4	-41.2	0	0	0	112	Y237	Y237-D239 PolarHBondContact O-N 3.22Å
240	T	91.6	Very high	89.1	Confident	17 Å²	17	50.2 Å²	50.2	10%	0.104	27%	0.274	C	S	.	.	S	Bend	trans	-85.3	151.5	177	70.5	0	0	0	0	111	L147 Y237 L242 F243	L147-T240 HydrophobicContact CD2-CG2 4.18Å; Y237-T240 HydrophobicContact CD1-CG2 4.36Å; Y237-T240 WeakPolarHBondContact O-CB 3.33Å; Y237-T240 WeakPolarHBondContact O-CG2 3.38Å; Y237-T240 PolarHBondContact O-N 2.9Å; Y237-T240 PolarHBondContact O-OG1 2.76Å; T240-L242 PolarHBondContact O-N 3.2Å; T240-F243 PolarHBondContact O-N 3.07Å
241	P	89.7	Confident	88.8	Confident	66 Å²	66	51.4 Å²	51.4	43%	0.429	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.7	176.4	-27.7	37.9	0	0	0	114.4	T146 F243 D244 K427	T146-P241 HydrophobicContact CG2-CB 3.57Å; T146-P241 HydrophobicContact CG2-CG 3.76Å; P241-F243 VanDerWaalsContact C-N 3.32Å; P241-F243 PolarHBondContact O-N 2.84Å; P241-D244 PolarHBondContact O-N 3.32Å; P241-K427 PolarHBondContact O-NZ 3.45Å
242	L	90.9	Very high	88.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-39.6	174.7	178.3	58.9	0	0	0	112.3	L147 I148 I150 T240 L250 K427 V429	L147-L242 HydrophobicContact CD2-CB 4.39Å; L147-L242 HydrophobicContact CD2-CD2 4.12Å; L147-L242 HydrophobicContact CG-CB 4.29Å; L147-L242 HydrophobicContact CG-CD2 4.11Å; I148-L242 VanDerWaalsContact O-CD1 3.26Å; I148-L242 WeakPolarHBondContact O-CD1 3.5Å; I150-L242 HydrophobicContact CB-CD2 4.4Å; I150-L242 HydrophobicContact CD1-CD2 3.33Å; I150-L242 HydrophobicContact CG1-CD2 3.53Å; T240-L242 PolarHBondContact O-N 3.2Å; L242-L250 HydrophobicContact CD1-CD1 3.74Å; L242-L250 HydrophobicContact CG-CD1 4.14Å; L242-K427 HydrophobicContact CD1-CB 3.87Å; L242-K427 HydrophobicContact CD1-CD 4.49Å; L242-K427 HydrophobicContact CD1-CG 4.19Å; L242-V429 HydrophobicContact CD2-CG2 3.89Å; L242-V429 HydrophobicContact CG-CG2 4.41Å
243	F	88.6	Confident	88.7	Confident	12 Å²	12	48.8 Å²	48.8	5%	0.053	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.6	-178.9	-78.5	-98.9	0	0	0	113.1	I150 Y234 Y237 T240 P241 T245 L250 L273 T279 F281 V429	I150-F243 HydrophobicContact CD1-CE2 4.23Å; Y234-F243 HydrophobicContact CD2-CE1 4.47Å; Y234-F243 HydrophobicContact CE2-CD1 4.47Å; Y237-F243 HydrophobicContact CD2-CE2 4.46Å; Y237-F243 AromaticContact CG-CE2 4Å; Y237-F243 HydrophobicContact CG-CE2 4Å; Y237-F243 WeakPolarHBondContact O-CD2 3.05Å; T240-F243 PolarHBondContact O-N 3.07Å; P241-F243 VanDerWaalsContact C-N 3.32Å; P241-F243 PolarHBondContact O-N 2.84Å; F243-T245 PolarHBondContact O-N 3.18Å; F243-L250 HydrophobicContact CD1-CD2 3.71Å; F243-L250 HydrophobicContact CE1-CD2 3.79Å; F243-L250 HydrophobicContact CG-CD2 4.13Å; F243-L250 HydrophobicContact CZ-CD2 4.24Å; F243-L273 HydrophobicContact CZ-CD1 4.48Å; F243-T279 HydrophobicContact CD1-CG2 4.04Å; F243-F281 HydrophobicContact CE1-CZ 4.48Å; F243-V429 HydrophobicContact CE2-CG2 4.28Å; F243-V429 HydrophobicContact CZ-CG2 4.17Å
244	D	84.9	Confident	88.7	Confident	83 Å²	83	48.3 Å²	48.3	44%	0.444	27%	0.268	S	S	.	.			trans	-76.8	103	166.6	-175.5	-3.7	0	0	0	110.4	P241 S246 K427	P241-D244 PolarHBondContact O-N 3.32Å; D244-S246 VanDerWaalsContact OD1-CB 3.25Å; D244-S246 WeakPolarHBondContact OD1-CB 3.4Å; D244-S246 PolarHBondContact OD1-N 2.91Å; D244-S246 PolarHBondContact OD1-OG 3.43Å; D244-K427 PolarHBondContact O-NZ 3.03Å
245	T	79.1	Confident	88.8	Confident	43 Å²	43	47.9 Å²	47.9	26%	0.264	27%	0.266	S	S	.	.			trans	-97.1	13.5	-178.2	64.4	0	0	0	0	113.6	F243 T248 L250	F243-T245 PolarHBondContact O-N 3.18Å; T245-T248 WeakPolarHBondContact CA-O 3.25Å; T245-L250 HydrophobicContact CG2-CB 3.73Å
246	S	81.3	Confident	88.8	Confident	92 Å²	92	45.1 Å²	45.1	64%	0.643	25%	0.247	S	C	*	.	S	Bend	trans	-64.5	-38.6	-177.9	57.9	0	0	0	0	113	D244	D244-S246 VanDerWaalsContact OD1-CB 3.25Å; D244-S246 WeakPolarHBondContact OD1-CB 3.4Å; D244-S246 PolarHBondContact OD1-N 2.91Å; D244-S246 PolarHBondContact OD1-OG 3.43Å
247	E	79.7	Confident	88.5	Confident	177 Å²	177	43.8 Å²	43.8	83%	0.827	24%	0.24	S	C	*	.	S	Bend	trans	-106.2	-36.5	-178.4	-63	-174	169.2	0	0	113.6
248	T	80.9	Confident	88.1	Confident	56 Å²	56	49.2 Å²	49.2	34%	0.344	26%	0.264	S	S	.	.	S	Bend	trans	-131.2	124.4	-175.1	-55.3	0	0	0	0	110	T245 K427	T245-T248 WeakPolarHBondContact CA-O 3.25Å; T248-K427 HydrophobicContact CG2-CB 4.44Å; T248-K427 HydrophobicContact CG2-CD 4.23Å; T248-K427 HydrophobicContact CG2-CG 4.08Å
249	P	85	Confident	88	Confident	65 Å²	65	47.4 Å²	47.4	42%	0.422	26%	0.256	S	S	.	.			trans	-52.4	141.7	171.4	-31.4	39.1	0	0	0	113.4	A282	P249-A282 HydrophobicContact CB-CB 3.8Å; P249-A282 HydrophobicContact CG-CB 4.06Å
250	L	88.2	Confident	88.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.2	170	177.9	59.6	0	0	0	110	L242 F243 T245 F281 K427 V429	L242-L250 HydrophobicContact CD1-CD1 3.74Å; L242-L250 HydrophobicContact CG-CD1 4.14Å; F243-L250 HydrophobicContact CD1-CD2 3.71Å; F243-L250 HydrophobicContact CE1-CD2 3.79Å; F243-L250 HydrophobicContact CG-CD2 4.13Å; F243-L250 HydrophobicContact CZ-CD2 4.24Å; T245-L250 HydrophobicContact CG2-CB 3.73Å; L250-F281 HydrophobicContact CB-CD1 4.41Å; L250-F281 HydrophobicContact CD2-CD1 4.12Å; L250-F281 HydrophobicContact CD2-CE1 3.58Å; L250-F281 HydrophobicContact CG-CD1 4.28Å; L250-F281 HydrophobicContact CG-CE1 4.17Å; L250-K427 HydrophobicContact CD1-CB 4.09Å; L250-V429 HydrophobicContact CD1-CG2 3.9Å
251	N	89.8	Confident	88.1	Confident	25 Å²	25	43 Å²	43	13%	0.134	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.5	174.5	-71.8	-28.4	0	0	0	109.8	E426 K427 E428 V429	N251-E426 PolarHBondContact ND2-OE2 3.37Å; N251-K427 PolarHBondContact N-O 3.37Å; N251-E428 CarbonylContact O-C 3.58Å; N251-E428 WeakPolarHBondContact O-CA 3.2Å; N251-V429 PolarHBondContact O-N 3.45Å
252	L	91.9	Very high	88.3	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.9	175.2	-177.5	61.4	0	0	0	110.1	L273 F281 I285 Q286 V429 L431	L252-L273 HydrophobicContact CD1-CD2 4.19Å; L252-L273 HydrophobicContact CD2-CD2 3.69Å; L252-F281 HydrophobicContact CB-CD1 4.42Å; L252-F281 HydrophobicContact CB-CE1 4.43Å; L252-F281 HydrophobicContact CD2-CE1 4.19Å; L252-F281 HydrophobicContact CD2-CZ 4.41Å; L252-I285 HydrophobicContact CB-CG1 4.35Å; L252-I285 HydrophobicContact CD2-CD1 3.56Å; L252-I285 HydrophobicContact CD2-CG1 3.83Å; L252-I285 HydrophobicContact CD2-CG2 4.28Å; L252-I285 HydrophobicContact CG-CD1 4.42Å; L252-I285 HydrophobicContact CG-CG1 4.27Å; L252-I285 HydrophobicContact CG-CG2 4.04Å; L252-I285 WeakPolarHBondContact O-CA 3.12Å; L252-Q286 PolarHBondContact O-N 2.98Å; L252-V429 WeakPolarHBondContact CA-O 3.06Å; L252-V429 HydrophobicContact CD1-CB 3.67Å; L252-V429 HydrophobicContact CD1-CG1 3.43Å; L252-V429 VanDerWaalsContact CD1-CG1 3.43Å; L252-V429 WeakPolarHBondContact CD1-O 3.47Å; L252-L431 HydrophobicContact CD1-CD1 4.13Å; L252-L431 HydrophobicContact CD1-CG 4.28Å
253	K	93.8	Very high	88.3	Confident	46 Å²	46	40 Å²	40	20%	0.2	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.8	176.7	-56.5	-171	-171.1	142.7	0	110.1	Q286 E428 V429 Q430 L431	K253-Q286 WeakPolarHBondContact CA-O 3.07Å; K253-Q286 HydrophobicContact CG-CB 4.17Å; K253-E428 WeakPolarHBondContact CD-OE1 3.36Å; K253-E428 WeakPolarHBondContact CE-OE1 3.49Å; K253-E428 IonicContact NZ-OE1 3.18Å; K253-E428 PolarHBondContact NZ-OE1 2.66Å; K253-E428 IonicContact NZ-OE2 3.37Å; K253-E428 PolarHBondContact NZ-OE2 3.25Å; K253-E428 VanDerWaalsContact NZ-OE2 3.08Å; K253-V429 PolarHBondContact N-O 2.47Å; K253-Q430 HydrophobicContact CB-CG 4.24Å; K253-L431 PolarHBondContact O-N 2.82Å
254	L	94.8	Very high	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.8	171.7	173.4	65.6	0	0	0	109.2	F256 G266 I267 V270 I285 Q286 L287 T288 L431	L254-F256 HydrophobicContact CG-CD1 4.43Å; L254-G266 WeakPolarHBondContact CD2-O 3.45Å; L254-I267 HydrophobicContact CD2-CD1 4.38Å; L254-V270 HydrophobicContact CB-CG2 4.35Å; L254-V270 HydrophobicContact CD2-CG2 3.94Å; L254-V270 HydrophobicContact CG-CG2 4.5Å; L254-I285 HydrophobicContact CB-CG2 4.35Å; L254-Q286 PolarHBondContact N-O 3.41Å; L254-L287 HydrophobicContact CB-CD2 3.78Å; L254-L287 HydrophobicContact CD2-CD2 3.71Å; L254-L287 HydrophobicContact CG-CD2 4.1Å; L254-L287 WeakPolarHBondContact O-CA 3.42Å; L254-T288 PolarHBondContact O-N 3.03Å; L254-L431 CarbonylContact C-O 3.48Å; L254-L431 WeakPolarHBondContact CA-O 2.9Å; L254-L431 HydrophobicContact CD1-CB 3.95Å
255	T	94.7	Very high	89	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.8	172.6	-55.9	0	0	0	0	109.8	T288 T297 L431 F432 S433	T255-T288 VanDerWaalsContact CA-O 3.25Å; T255-T288 WeakPolarHBondContact CA-O 3.35Å; T255-T297 HydrophobicContact CG2-CG2 3.6Å; T255-L431 PolarHBondContact N-O 3.26Å; T255-F432 HydrophobicContact CG2-CD1 3.62Å; T255-F432 HydrophobicContact CG2-CE1 3.64Å; T255-F432 CarbonylContact O-C 3.52Å; T255-F432 WeakPolarHBondContact O-CA 3.44Å; T255-S433 PolarHBondContact O-N 2.64Å
256	F	93.3	Very high	89.8	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.5	177.5	52.1	-90.8	0	0	0	110.4	F201 L254 F263 L287 T288 N289 S290	F201-F256 AromaticContact CD1-CE2 3.83Å; F201-F256 HydrophobicContact CD1-CE2 3.83Å; F201-F256 AromaticContact CD1-CZ 3.95Å; F201-F256 HydrophobicContact CD1-CZ 3.95Å; F201-F256 AromaticContact CE1-CE2 3.53Å; F201-F256 HydrophobicContact CE1-CE2 3.53Å; F201-F256 HydrophobicContact CE1-CZ 4.03Å; F201-F256 HydrophobicContact CZ-CE2 4.28Å; L254-F256 HydrophobicContact CG-CD1 4.43Å; F256-F263 HydrophobicContact CD1-CD2 4.05Å; F256-F263 HydrophobicContact CD2-CB 4.09Å; F256-F263 AromaticContact CD2-CD2 3.94Å; F256-F263 HydrophobicContact CD2-CD2 3.94Å; F256-F263 AromaticContact CE1-CD2 3.82Å; F256-F263 HydrophobicContact CE1-CD2 3.82Å; F256-F263 HydrophobicContact CE1-CE2 4.16Å; F256-F263 HydrophobicContact CE2-CB 4.5Å; F256-F263 AromaticContact CE2-CD2 3.71Å; F256-F263 HydrophobicContact CE2-CD2 3.71Å; F256-F263 HydrophobicContact CE2-CE2 4.49Å; F256-F263 HydrophobicContact CG-CB 4.4Å; F256-F263 HydrophobicContact CG-CD2 4.12Å; F256-F263 AromaticContact CZ-CD2 3.65Å; F256-F263 HydrophobicContact CZ-CD2 3.65Å; F256-F263 HydrophobicContact CZ-CE2 4.03Å; F256-L287 HydrophobicContact CE1-CB 4.04Å; F256-L287 HydrophobicContact CE1-CD2 4.5Å; F256-T288 PolarHBondContact N-O 3.45Å; F256-N289 HydrophobicContact CE2-CB 3.98Å; F256-N289 HydrophobicContact CZ-CB 4.3Å; F256-N289 PolarHBondContact O-OD1 2.94Å; F256-S290 VanDerWaalsContact C-OG 3.26Å; F256-S290 PolarHBondContact O-N 2.85Å; F256-S290 PolarHBondContact O-OG 2.78Å
257	S	89.2	Confident	90.3	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.021	14%	0.143	C	C	.	.			trans	-77.9	166.7	171.2	79.8	0	0	0	0	111.5	F259 T262 S290 V292 H435	S257-F259 PolarHBondContact O-N 2.77Å; S257-F259 WeakPolarHBondContact OG-CD2 3.39Å; S257-F259 PolarHBondContact OG-N 3.46Å; S257-T262 PolarHBondContact N-OG1 2.92Å; S257-T262 PolarHBondContact O-OG1 3.39Å; S257-T262 WeakPolarHBondContact OG-CG2 3.4Å; S257-T262 PolarHBondContact OG-OG1 2.94Å; S257-S290 WeakPolarHBondContact CA-OG 3.27Å; S257-S290 PolarHBondContact N-OG 3.49Å; S257-V292 WeakPolarHBondContact CB-O 3.29Å; S257-H435 WeakPolarHBondContact CB-NE2 3.47Å; S257-H435 PolarHBondContact OG-CE1 3.03Å; S257-H435 PolarHBondContact OG-NE2 3.18Å
258	K	84.7	Confident	91.1	Very high	120 Å²	120	20.7 Å²	20.7	52%	0.522	10%	0.103	S	C	.	.	S	Bend	trans	-58.7	-5.7	178.3	79.7	179.1	-170.4	-154.9	0	116.2	N289 V292	K258-N289 PolarHBondContact N-OD1 2.84Å; K258-V292 HydrophobicContact CD-CB 4.17Å; K258-V292 HydrophobicContact CD-CG1 3.64Å; K258-V292 HydrophobicContact CD-CG2 3.86Å; K258-V292 HydrophobicContact CG-CG1 3.95Å; K258-V292 VanDerWaalsContact NZ-CG2 3.31Å
259	F	87.9	Confident	91.8	Very high	49 Å²	49	18.2 Å²	18.2	22%	0.215	9%	0.088	C	C	.	.	S	Bend	trans	-83.9	136.7	-177.6	-65	-71.5	0	0	0	111.9	S257 R261 T262 F263 V292 Y293 H435	S257-F259 PolarHBondContact O-N 2.77Å; S257-F259 WeakPolarHBondContact OG-CD2 3.39Å; S257-F259 PolarHBondContact OG-N 3.46Å; F259-R261 HydrophobicContact CB-CG 4.18Å; F259-R261 PolarHBondContact O-N 3Å; F259-R261 VanDerWaalsContact O-N 3.15Å; F259-T262 PolarHBondContact O-N 3.08Å; F259-T262 VanDerWaalsContact O-N 3.08Å; F259-T262 PolarHBondContact O-OG1 3.17Å; F259-F263 PolarHBondContact O-N 2.87Å; F259-F263 VanDerWaalsContact O-N 3.12Å; F259-V292 HydrophobicContact CE2-CG1 3.91Å; F259-V292 WeakPolarHBondContact CE2-O 3.43Å; F259-V292 HydrophobicContact CZ-CG1 4.05Å; F259-Y293 AromaticContact CE2-CD1 3.74Å; F259-Y293 HydrophobicContact CE2-CD1 3.74Å; F259-Y293 AromaticContact CE2-CE1 3.3Å; F259-Y293 HydrophobicContact CE2-CE1 3.3Å; F259-Y293 HydrophobicContact CZ-CD1 4.36Å; F259-Y293 AromaticContact CZ-CE1 3.46Å; F259-Y293 HydrophobicContact CZ-CE1 3.46Å; F259-Y293 VanDerWaalsContact CZ-CE1 3.46Å; F259-Y293 AromaticContact CZ-CZ 3.9Å; F259-H435 AromaticContact CD2-CE1 3.44Å; F259-H435 VanDerWaalsContact CD2-CE1 3.44Å; F259-H435 WeakPolarHBondContact CD2-CE1 3.5Å; F259-H435 AromaticContact CD2-NE2 3.73Å
260	Q	89.5	Confident	92.1	Very high	31 Å²	31	15.1 Å²	15.1	15%	0.145	7%	0.068	C	C	.	.	H	α-helix	trans	-54.4	-36.8	177.7	179.2	57.4	29.1	0	0	113.2	Q205 F217 F263 A264	Q205-Q260 PolarHBondContact O-NE2 3.49Å; F217-Q260 HydrophobicContact CD1-CB 4.47Å; F217-Q260 HydrophobicContact CD1-CG 3.72Å; F217-Q260 HydrophobicContact CD2-CB 4.45Å; F217-Q260 HydrophobicContact CE1-CB 4.21Å; F217-Q260 HydrophobicContact CE1-CG 3.58Å; F217-Q260 HydrophobicContact CE2-CB 4.17Å; F217-Q260 HydrophobicContact CE2-CG 4.4Å; F217-Q260 HydrophobicContact CG-CG 4.2Å; F217-Q260 HydrophobicContact CZ-CB 4.03Å; F217-Q260 HydrophobicContact CZ-CG 3.92Å; Q260-F263 PolarHBondContact O-N 3.23Å; Q260-A264 WeakPolarHBondContact O-CB 3.24Å; Q260-A264 PolarHBondContact O-N 3.12Å
261	R	92	Very high	92.3	Very high	27 Å²	27	15.1 Å²	15.1	10%	0.102	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-40.6	178.4	66.1	-178.9	177.6	-80.7	-6.1	113.2	H156 A216 L218 F259 S265 H435	H156-R261 PolarHBondContact CD2-NE 2.7Å; H156-R261 WeakPolarHBondContact NE2-CD 3.19Å; H156-R261 PolarHBondContact NE2-NE 2.73Å; A216-R261 WeakPolarHBondContact O-CD 3.47Å; L218-R261 HydrophobicContact CB-CB 4.45Å; F259-R261 HydrophobicContact CB-CG 4.18Å; F259-R261 PolarHBondContact O-N 3Å; F259-R261 VanDerWaalsContact O-N 3.15Å; R261-S265 WeakPolarHBondContact O-CB 3.23Å; R261-S265 PolarHBondContact O-N 3.13Å; R261-S265 PolarHBondContact O-OG 3.45Å; R261-S265 VanDerWaalsContact O-OG 3.11Å; R261-H435 PolarHBondContact NH2-CE1 3.5Å; R261-H435 PolarHBondContact NH2-ND1 3.38Å; R261-H435 VanDerWaalsContact NH2-ND1 3.13Å
262	T	93.7	Very high	92.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-74.6	-36.4	179	49	0	0	0	0	111	H156 S257 F259 G266 S433	H156-T262 HydrophobicContact CB-CG2 4.34Å; S257-T262 PolarHBondContact N-OG1 2.92Å; S257-T262 PolarHBondContact O-OG1 3.39Å; S257-T262 WeakPolarHBondContact OG-CG2 3.4Å; S257-T262 PolarHBondContact OG-OG1 2.94Å; F259-T262 PolarHBondContact O-N 3.08Å; F259-T262 VanDerWaalsContact O-N 3.08Å; F259-T262 PolarHBondContact O-OG1 3.17Å; T262-G266 PolarHBondContact O-N 3.24Å; T262-S433 WeakPolarHBondContact CB-O 3.28Å; T262-S433 VanDerWaalsContact O-CB 3.23Å; T262-S433 WeakPolarHBondContact O-CB 3.34Å; T262-S433 PolarHBondContact O-OG 3.32Å
263	F	91.7	Very high	92.3	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.018	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-56.1	172.1	176.2	-101.2	0	0	0	111.3	L204 F256 F259 Q260 S265 G266 I267 L287	L204-F263 HydrophobicContact CB-CD1 3.72Å; L204-F263 HydrophobicContact CB-CE1 3.43Å; L204-F263 VanDerWaalsContact CB-CE1 3.43Å; L204-F263 HydrophobicContact CB-CG 4.45Å; L204-F263 HydrophobicContact CB-CZ 3.96Å; L204-F263 HydrophobicContact CD1-CB 3.92Å; L204-F263 HydrophobicContact CD1-CD1 3.52Å; L204-F263 HydrophobicContact CD1-CD2 3.71Å; L204-F263 HydrophobicContact CD1-CE1 3.9Å; L204-F263 HydrophobicContact CD1-CE2 4.06Å; L204-F263 HydrophobicContact CD1-CG 3.41Å; L204-F263 VanDerWaalsContact CD1-CG 3.41Å; L204-F263 HydrophobicContact CD1-CZ 4.14Å; L204-F263 HydrophobicContact CG-CD1 4.3Å; L204-F263 HydrophobicContact CG-CE1 4.33Å; F256-F263 HydrophobicContact CD1-CD2 4.05Å; F256-F263 HydrophobicContact CD2-CB 4.09Å; F256-F263 AromaticContact CD2-CD2 3.94Å; F256-F263 HydrophobicContact CD2-CD2 3.94Å; F256-F263 AromaticContact CE1-CD2 3.82Å; F256-F263 HydrophobicContact CE1-CD2 3.82Å; F256-F263 HydrophobicContact CE1-CE2 4.16Å; F256-F263 HydrophobicContact CE2-CB 4.5Å; F256-F263 AromaticContact CE2-CD2 3.71Å; F256-F263 HydrophobicContact CE2-CD2 3.71Å; F256-F263 HydrophobicContact CE2-CE2 4.49Å; F256-F263 HydrophobicContact CG-CB 4.4Å; F256-F263 HydrophobicContact CG-CD2 4.12Å; F256-F263 AromaticContact CZ-CD2 3.65Å; F256-F263 HydrophobicContact CZ-CD2 3.65Å; F256-F263 HydrophobicContact CZ-CE2 4.03Å; F259-F263 PolarHBondContact O-N 2.87Å; F259-F263 VanDerWaalsContact O-N 3.12Å; Q260-F263 PolarHBondContact O-N 3.23Å; F263-S265 VanDerWaalsContact C-N 3.31Å; F263-S265 PolarHBondContact O-N 3.44Å; F263-G266 PolarHBondContact O-N 2.72Å; F263-I267 HydrophobicContact CD1-CG1 4.41Å; F263-I267 HydrophobicContact CE1-CG1 4.02Å; F263-I267 HydrophobicContact CE2-CD1 4.23Å; F263-I267 HydrophobicContact CE2-CG1 4.18Å; F263-I267 HydrophobicContact CZ-CD1 4.15Å; F263-I267 HydrophobicContact CZ-CG1 3.9Å; F263-I267 WeakPolarHBondContact O-CG1 3.5Å; F263-I267 PolarHBondContact O-N 2.91Å; F263-L287 HydrophobicContact CE2-CD1 4.35Å
264	A	92.7	Very high	91.9	Very high	1 Å²	1	12 Å²	12	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-62.2	-36.8	-179.1	0	0	0	0	0	112.7	L218 Q260 I267 A268	L218-A264 HydrophobicContact CB-CB 4.13Å; L218-A264 HydrophobicContact CD2-CB 3.71Å; Q260-A264 WeakPolarHBondContact O-CB 3.24Å; Q260-A264 PolarHBondContact O-N 3.12Å; A264-I267 PolarHBondContact O-N 2.93Å; A264-A268 WeakPolarHBondContact O-CB 3.23Å; A264-A268 PolarHBondContact O-N 2.89Å
265	S	95.6	Very high	91.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.4	-48.2	173.6	-83.5	0	0	0	0	112	H156 G157 L218 E226 R261 F263 I267 A268 L269 S433	H156-S265 WeakPolarHBondContact CA-OG 3.19Å; H156-S265 WeakPolarHBondContact CB-OG 3.12Å; G157-S265 PolarHBondContact N-OG 2.91Å; L218-S265 WeakPolarHBondContact CD1-OG 3.29Å; E226-S265 WeakPolarHBondContact OE1-CB 3.41Å; E226-S265 PolarHBondContact OE1-OG 3.31Å; R261-S265 WeakPolarHBondContact O-CB 3.23Å; R261-S265 PolarHBondContact O-N 3.13Å; R261-S265 PolarHBondContact O-OG 3.45Å; R261-S265 VanDerWaalsContact O-OG 3.11Å; F263-S265 VanDerWaalsContact C-N 3.31Å; F263-S265 PolarHBondContact O-N 3.44Å; S265-I267 VanDerWaalsContact C-N 3.31Å; S265-I267 PolarHBondContact O-N 3.48Å; S265-A268 PolarHBondContact O-N 3.39Å; S265-A268 VanDerWaalsContact O-N 3.16Å; S265-L269 WeakPolarHBondContact O-CB 3.27Å; S265-L269 PolarHBondContact O-N 3Å; S265-S433 WeakPolarHBondContact CB-OG 3.38Å
266	G	95.1	Very high	90.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-42.1	177.4	0	0	0	0	0	112.4	L254 T262 F263 L269 V270 S433	L254-G266 WeakPolarHBondContact CD2-O 3.45Å; T262-G266 PolarHBondContact O-N 3.24Å; F263-G266 PolarHBondContact O-N 2.72Å; G266-L269 PolarHBondContact O-N 3.44Å; G266-V270 WeakPolarHBondContact O-CB 3.15Å; G266-V270 WeakPolarHBondContact O-CG2 3.21Å; G266-V270 PolarHBondContact O-N 3.05Å; G266-S433 PolarHBondContact N-OG 3.3Å
267	I	93.1	Very high	88.5	Confident	1 Å²	1	22 Å²	22	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-47.3	173.5	-66.4	-54	0	0	0	111	L195 I206 L254 F263 A264 S265 L269 V270 S271 L287	L195-I267 HydrophobicContact CD1-CD1 3.74Å; L195-I267 HydrophobicContact CD2-CD1 4.45Å; I206-I267 HydrophobicContact CG2-CG2 3.57Å; L254-I267 HydrophobicContact CD2-CD1 4.38Å; F263-I267 HydrophobicContact CD1-CG1 4.41Å; F263-I267 HydrophobicContact CE1-CG1 4.02Å; F263-I267 HydrophobicContact CE2-CD1 4.23Å; F263-I267 HydrophobicContact CE2-CG1 4.18Å; F263-I267 HydrophobicContact CZ-CD1 4.15Å; F263-I267 HydrophobicContact CZ-CG1 3.9Å; F263-I267 WeakPolarHBondContact O-CG1 3.5Å; F263-I267 PolarHBondContact O-N 2.91Å; A264-I267 PolarHBondContact O-N 2.93Å; S265-I267 VanDerWaalsContact C-N 3.31Å; S265-I267 PolarHBondContact O-N 3.48Å; I267-L269 PolarHBondContact O-N 3.01Å; I267-V270 PolarHBondContact O-N 3.43Å; I267-S271 WeakPolarHBondContact O-CB 3.3Å; I267-S271 PolarHBondContact O-N 3.36Å; I267-S271 PolarHBondContact O-OG 3.49Å; I267-S271 VanDerWaalsContact O-OG 3.07Å; I267-L287 HydrophobicContact CD1-CD1 4.39Å
268	A	94.9	Very high	87	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-42.9	178.9	0	0	0	0	0	112.8	Y182 A223 E226 F227 A264 S265 S271 G272	Y182-A268 HydrophobicContact CD2-CB 4.4Å; Y182-A268 HydrophobicContact CE2-CB 3.66Å; A223-A268 HydrophobicContact CB-CB 4.33Å; E226-A268 HydrophobicContact CB-CB 3.77Å; F227-A268 WeakPolarHBondContact CA-O 3.5Å; A264-A268 WeakPolarHBondContact O-CB 3.23Å; A264-A268 PolarHBondContact O-N 2.89Å; S265-A268 PolarHBondContact O-N 3.39Å; S265-A268 VanDerWaalsContact O-N 3.16Å; A268-S271 WeakPolarHBondContact O-CB 3.4Å; A268-S271 PolarHBondContact O-N 3.39Å; A268-G272 PolarHBondContact O-N 2.96Å
269	L	95.5	Very high	85.8	Confident	3 Å²	3	23 Å²	23	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-57.4	-49.6	174.4	-179.2	67.1	0	0	0	111.7	V154 E226 L229 G230 L233 S265 G266 I267 G272 L273 L431	V154-L269 HydrophobicContact CB-CD2 4.34Å; V154-L269 HydrophobicContact CG2-CD2 3.99Å; E226-L269 HydrophobicContact CB-CB 4.35Å; E226-L269 WeakPolarHBondContact O-CA 3.28Å; L229-L269 HydrophobicContact CB-CD1 4.11Å; L229-L269 HydrophobicContact CD2-CD1 4Å; L229-L269 HydrophobicContact CG-CD1 3.85Å; G230-L269 WeakPolarHBondContact CA-O 3.36Å; L233-L269 HydrophobicContact CD1-CD1 4.36Å; S265-L269 WeakPolarHBondContact O-CB 3.27Å; S265-L269 PolarHBondContact O-N 3Å; G266-L269 PolarHBondContact O-N 3.44Å; I267-L269 PolarHBondContact O-N 3.01Å; L269-G272 PolarHBondContact O-N 2.9Å; L269-L273 PolarHBondContact O-N 3.05Å; L269-L273 VanDerWaalsContact O-N 3.11Å; L269-L431 HydrophobicContact CD2-CD1 4Å; L269-L431 HydrophobicContact CG-CD1 4.39Å
270	V	92.6	Very high	84.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-41.1	178.1	166.7	0	0	0	0	111.6	L195 L254 G266 I267 G272 L273 L274 I285 L431	L195-V270 HydrophobicContact CD2-CG1 4.49Å; L254-V270 HydrophobicContact CB-CG2 4.35Å; L254-V270 HydrophobicContact CD2-CG2 3.94Å; L254-V270 HydrophobicContact CG-CG2 4.5Å; G266-V270 WeakPolarHBondContact O-CB 3.15Å; G266-V270 WeakPolarHBondContact O-CG2 3.21Å; G266-V270 PolarHBondContact O-N 3.05Å; I267-V270 PolarHBondContact O-N 3.43Å; V270-G272 PolarHBondContact O-N 3.22Å; V270-L273 WeakPolarHBondContact O-CB 3.38Å; V270-L273 PolarHBondContact O-N 2.75Å; V270-L273 VanDerWaalsContact O-N 3.07Å; V270-L274 HydrophobicContact CG1-CD1 3.81Å; V270-L274 HydrophobicContact CG1-CG 4.08Å; V270-L274 VanDerWaalsContact O-CG 3.28Å; V270-L274 WeakPolarHBondContact O-CG 3.41Å; V270-L274 PolarHBondContact O-N 2.92Å; V270-I285 HydrophobicContact CG1-CD1 3.25Å; V270-L431 HydrophobicContact CG2-CD1 4.08Å
271	S	91.5	Very high	83.3	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.3	-41.9	173.4	-67.2	0	0	0	0	111.1	S186 I191 I267 A268 L274 D275	S186-S271 PolarHBondContact OG-OG 3.3Å; I191-S271 WeakPolarHBondContact CD1-OG 3.44Å; I267-S271 WeakPolarHBondContact O-CB 3.3Å; I267-S271 PolarHBondContact O-N 3.36Å; I267-S271 PolarHBondContact O-OG 3.49Å; I267-S271 VanDerWaalsContact O-OG 3.07Å; A268-S271 WeakPolarHBondContact O-CB 3.4Å; A268-S271 PolarHBondContact O-N 3.39Å; S271-L274 PolarHBondContact O-N 3.4Å; S271-D275 WeakPolarHBondContact O-CB 3.4Å; S271-D275 PolarHBondContact O-N 2.94Å
272	G	92.7	Very high	81.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-39.4	178.2	0	0	0	0	0	113	F227 G230 R231 A268 L269 V270 L274	F227-G272 VanDerWaalsContact CD2-N 3.27Å; F227-G272 VanDerWaalsContact CE2-CA 3.48Å; F227-G272 WeakPolarHBondContact O-CA 3.31Å; G230-G272 VanDerWaalsContact C-C 3.45Å; R231-G272 WeakPolarHBondContact CA-O 3.09Å; R231-G272 WeakPolarHBondContact CG-O 3.24Å; R231-G272 PolarHBondContact N-O 2.97Å; A268-G272 PolarHBondContact O-N 2.96Å; L269-G272 PolarHBondContact O-N 2.9Å; V270-G272 PolarHBondContact O-N 3.22Å; G272-L274 VanDerWaalsContact C-N 3.28Å; G272-L274 PolarHBondContact O-N 3.42Å
273	L	89.8	Confident	80.7	Confident	10 Å²	10	31.5 Å²	31.5	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-32.8	175.7	-166.5	78.9	0	0	0	112.1	Y234 F243 L252 L269 V270	Y234-L273 HydrophobicContact CD2-CD1 4.35Å; Y234-L273 WeakPolarHBondContact CD2-O 3.43Å; F243-L273 HydrophobicContact CZ-CD1 4.48Å; L252-L273 HydrophobicContact CD1-CD2 4.19Å; L252-L273 HydrophobicContact CD2-CD2 3.69Å; L269-L273 PolarHBondContact O-N 3.05Å; L269-L273 VanDerWaalsContact O-N 3.11Å; V270-L273 WeakPolarHBondContact O-CB 3.38Å; V270-L273 PolarHBondContact O-N 2.75Å; V270-L273 VanDerWaalsContact O-N 3.07Å
274	L	85.6	Confident	80.3	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-90.7	-21.8	-176.1	-65.6	-177.6	0	0	0	115	I191 V270 S271 G272 Q276 N277 F281 I285	I191-L274 HydrophobicContact CD1-CD1 4.25Å; I191-L274 HydrophobicContact CG1-CD1 4.06Å; V270-L274 HydrophobicContact CG1-CD1 3.81Å; V270-L274 HydrophobicContact CG1-CG 4.08Å; V270-L274 VanDerWaalsContact O-CG 3.28Å; V270-L274 WeakPolarHBondContact O-CG 3.41Å; V270-L274 PolarHBondContact O-N 2.92Å; S271-L274 PolarHBondContact O-N 3.4Å; G272-L274 VanDerWaalsContact C-N 3.28Å; G272-L274 PolarHBondContact O-N 3.42Å; L274-Q276 PolarHBondContact O-N 3.02Å; L274-N277 PolarHBondContact O-N 3.44Å; L274-N277 VanDerWaalsContact O-N 3.13Å; L274-F281 HydrophobicContact CD2-CD2 3.6Å; L274-F281 HydrophobicContact CD2-CE2 3.16Å; L274-F281 HydrophobicContact CD2-CZ 3.99Å; L274-I285 HydrophobicContact CD1-CD1 3.78Å; L274-I285 HydrophobicContact CD2-CD1 4.21Å; L274-I285 HydrophobicContact CG-CD1 4.29Å
275	D	81.7	Confident	80.1	Confident	22 Å²	22	34.7 Å²	34.7	12%	0.118	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.4	-169.7	172.4	47.3	0	0	0	113.4	V185 Q189 F227 R231 S271 N277	V185-D275 HydrophobicContact CG1-CB 4.1Å; V185-D275 HydrophobicContact CG2-CB 4.25Å; V185-D275 WeakPolarHBondContact CG2-OD1 3.33Å; Q189-D275 PolarHBondContact NE2-O 2.87Å; F227-D275 HydrophobicContact CE2-CB 4.26Å; F227-D275 HydrophobicContact CZ-CB 4.3Å; R231-D275 IonicContact CZ-OD2 2.76Å; R231-D275 IonicContact NE-OD2 2.63Å; R231-D275 PolarHBondContact NE-OD2 3.17Å; R231-D275 IonicContact NH2-OD1 3.09Å; R231-D275 IonicContact NH2-OD2 3.71Å; R231-D275 PolarHBondContact NH2-OD2 3.22Å; S271-D275 WeakPolarHBondContact O-CB 3.4Å; S271-D275 PolarHBondContact O-N 2.94Å; D275-N277 PolarHBondContact O-N 3.4Å
276	Q	69.6	Low	79.9	Confident	90 Å²	90	38.4 Å²	38.4	42%	0.421	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.4	-173.4	-64.1	-62	-55.7	0	0	114.9	Y234 L274 Q278	Y234-Q276 HydrophobicContact CD1-CB 3.96Å; Y234-Q276 HydrophobicContact CD1-CG 3.89Å; Y234-Q276 HydrophobicContact CE1-CB 3.57Å; Y234-Q276 HydrophobicContact CE1-CG 3.95Å; L274-Q276 PolarHBondContact O-N 3.02Å; Q276-Q278 WeakPolarHBondContact O-CG 3.3Å; Q276-Q278 PolarHBondContact O-N 3.34Å
277	N	60.4	Low	79.7	Confident	99 Å²	99	39 Å²	39	53%	0.529	21%	0.213	S	C	.	.	S	Bend	trans	51	12.6	171.1	-99.2	-15.1	0	0	0	116.6	R194 L274 D275	R194-N277 PolarHBondContact NH2-OD1 3.02Å; L274-N277 PolarHBondContact O-N 3.44Å; L274-N277 VanDerWaalsContact O-N 3.13Å; D275-N277 PolarHBondContact O-N 3.4Å
278	Q	57.6	Low	79.5	Confident	134 Å²	134	40.9 Å²	40.9	63%	0.626	23%	0.225	S	C	*	.			trans	-95.1	-18.3	-175.3	-81.5	170.1	9.8	0	0	112.4	Y234 Q276	Y234-Q278 VanDerWaalsContact OH-CB 3.23Å; Y234-Q278 WeakPolarHBondContact OH-CB 3.39Å; Y234-Q278 PolarHBondContact OH-OE1 3.44Å; Q276-Q278 WeakPolarHBondContact O-CG 3.3Å; Q276-Q278 PolarHBondContact O-N 3.34Å
279	T	58.2	Low	79.1	Confident	11 Å²	11	43.8 Å²	43.8	7%	0.067	24%	0.24	C	C	.	.			trans	-103	107.3	-178.4	28.4	0	0	0	0	111.1	Y234 F243 F281	Y234-T279 HydrophobicContact CE2-CG2 3.73Å; F243-T279 HydrophobicContact CD1-CG2 4.04Å; T279-F281 VanDerWaalsContact CB-CE2 3.49Å; T279-F281 HydrophobicContact CG2-CE2 4.49Å; T279-F281 HydrophobicContact CG2-CZ 4.39Å; T279-F281 WeakPolarHBondContact O-CD2 3.13Å; T279-F281 PolarHBondContact O-N 3.49Å; T279-F281 WeakPolarHBondContact OG1-CE2 3.15Å
280	N	58.5	Low	78.6	Confident	131 Å²	131	44 Å²	44	70%	0.701	24%	0.242	S	C	*	.			trans	-81.5	88.4	167.3	-74.4	-31.9	0	0	0	108.6	A282	N280-A282 PolarHBondContact O-N 3.12Å
281	F	66.3	Low	77.9	Confident	34 Å²	34	44.8 Å²	44.8	15%	0.149	25%	0.247	C	C	.	.			trans	-64.7	123.9	168.6	-60.4	-88.1	0	0	0	108.7	F243 L250 L252 L274 T279 T283	F243-F281 HydrophobicContact CE1-CZ 4.48Å; L250-F281 HydrophobicContact CB-CD1 4.41Å; L250-F281 HydrophobicContact CD2-CD1 4.12Å; L250-F281 HydrophobicContact CD2-CE1 3.58Å; L250-F281 HydrophobicContact CG-CD1 4.28Å; L250-F281 HydrophobicContact CG-CE1 4.17Å; L252-F281 HydrophobicContact CB-CD1 4.42Å; L252-F281 HydrophobicContact CB-CE1 4.43Å; L252-F281 HydrophobicContact CD2-CE1 4.19Å; L252-F281 HydrophobicContact CD2-CZ 4.41Å; L274-F281 HydrophobicContact CD2-CD2 3.6Å; L274-F281 HydrophobicContact CD2-CE2 3.16Å; L274-F281 HydrophobicContact CD2-CZ 3.99Å; T279-F281 VanDerWaalsContact CB-CE2 3.49Å; T279-F281 HydrophobicContact CG2-CE2 4.49Å; T279-F281 HydrophobicContact CG2-CZ 4.39Å; T279-F281 WeakPolarHBondContact O-CD2 3.13Å; T279-F281 PolarHBondContact O-N 3.49Å; T279-F281 WeakPolarHBondContact OG1-CE2 3.15Å; F281-T283 PolarHBondContact O-N 2.89Å
282	A	60.4	Low	76.7	Confident	70 Å²	70	45.9 Å²	45.9	58%	0.579	25%	0.254	S	S	*	.	S	Bend	trans	-68.8	-20.7	-176.6	0	0	0	0	0	112.8	P249 N280	P249-A282 HydrophobicContact CB-CB 3.8Å; P249-A282 HydrophobicContact CG-CB 4.06Å; N280-A282 PolarHBondContact O-N 3.12Å
283	T	71.3	Confident	75.7	Confident	50 Å²	50	49.2 Å²	49.2	31%	0.307	27%	0.267	S	S	.	.	S	Bend	trans	-126.4	146.7	-178.4	56.7	0	0	0	0	111	F281	F281-T283 PolarHBondContact O-N 2.89Å
284	P	83.3	Confident	75.3	Confident	70 Å²	70	48.8 Å²	48.8	46%	0.455	27%	0.265	S	S	.	.			trans	-54.2	144.3	166.1	-23	33.5	0	0	0	111	R194 N196 Q286	R194-P284 CarbonylContact O-C 3.56Å; R194-P284 WeakPolarHBondContact O-CA 3.37Å; N196-P284 HydrophobicContact CB-CB 4.22Å; P284-Q286 PolarHBondContact O-N 2.78Å
285	I	88.1	Confident	75.3	Confident	3 Å²	3	49 Å²	49	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	123	178	-57.9	178.6	0	0	0	108.4	R194 L195 N196 L252 L254 V270 L274 L287	R194-I285 PolarHBondContact O-N 3.37Å; L195-I285 HydrophobicContact CD2-CB 3.97Å; L195-I285 HydrophobicContact CD2-CD1 4.19Å; L195-I285 HydrophobicContact CD2-CG2 4.26Å; N196-I285 PolarHBondContact N-O 2.66Å; L252-I285 HydrophobicContact CB-CG1 4.35Å; L252-I285 HydrophobicContact CD2-CD1 3.56Å; L252-I285 HydrophobicContact CD2-CG1 3.83Å; L252-I285 HydrophobicContact CD2-CG2 4.28Å; L252-I285 HydrophobicContact CG-CD1 4.42Å; L252-I285 HydrophobicContact CG-CG1 4.27Å; L252-I285 HydrophobicContact CG-CG2 4.04Å; L252-I285 WeakPolarHBondContact O-CA 3.12Å; L254-I285 HydrophobicContact CB-CG2 4.35Å; V270-I285 HydrophobicContact CG1-CD1 3.25Å; L274-I285 HydrophobicContact CD1-CD1 3.78Å; L274-I285 HydrophobicContact CD2-CD1 4.21Å; L274-I285 HydrophobicContact CG-CD1 4.29Å; I285-L287 HydrophobicContact CG2-CD2 4.36Å; I285-L287 PolarHBondContact O-N 3.23Å
286	Q	90.8	Very high	75.7	Confident	78 Å²	78	48.2 Å²	48.2	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.5	-179.5	-61.1	-178.3	7.6	0	0	109.2	L252 K253 L254 P284	L252-Q286 PolarHBondContact O-N 2.98Å; K253-Q286 WeakPolarHBondContact CA-O 3.07Å; K253-Q286 HydrophobicContact CG-CB 4.17Å; L254-Q286 PolarHBondContact N-O 3.41Å; P284-Q286 PolarHBondContact O-N 2.78Å
287	L	91	Very high	76.6	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.5	173.5	-66.2	-167.6	0	0	0	109.2	L195 N196 I197 P198 L254 F256 F263 I267 I285	L195-L287 HydrophobicContact CB-CD1 4.19Å; L195-L287 HydrophobicContact CD1-CD1 4.45Å; L195-L287 HydrophobicContact CD2-CD1 4.4Å; L195-L287 HydrophobicContact CD2-CD2 4.1Å; L195-L287 HydrophobicContact CD2-CG 4.39Å; N196-L287 WeakPolarHBondContact O-CB 3.36Å; I197-L287 HydrophobicContact CG1-CD1 4.07Å; P198-L287 HydrophobicContact CG-CB 4.01Å; P198-L287 WeakPolarHBondContact CG-O 3.42Å; L254-L287 HydrophobicContact CB-CD2 3.78Å; L254-L287 HydrophobicContact CD2-CD2 3.71Å; L254-L287 HydrophobicContact CG-CD2 4.1Å; L254-L287 WeakPolarHBondContact O-CA 3.42Å; F256-L287 HydrophobicContact CE1-CB 4.04Å; F256-L287 HydrophobicContact CE1-CD2 4.5Å; F263-L287 HydrophobicContact CE2-CD1 4.35Å; I267-L287 HydrophobicContact CD1-CD1 4.39Å; I285-L287 HydrophobicContact CG2-CD2 4.36Å; I285-L287 PolarHBondContact O-N 3.23Å
288	T	89.9	Confident	77.9	Confident	42 Å²	42	44.8 Å²	44.8	26%	0.258	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.6	179	-54.8	0	0	0	0	109.9	L254 T255 F256 T297	L254-T288 PolarHBondContact O-N 3.03Å; T255-T288 VanDerWaalsContact CA-O 3.25Å; T255-T288 WeakPolarHBondContact CA-O 3.35Å; F256-T288 PolarHBondContact N-O 3.45Å; T288-T297 HydrophobicContact CG2-CG2 3.57Å
289	N	86.4	Confident	79.2	Confident	61 Å²	61	42.7 Å²	42.7	33%	0.326	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.3	168.8	-178.6	42.8	0	0	0	109.1	F201 F256 K258	F201-N289 HydrophobicContact CE1-CB 4.16Å; F201-N289 HydrophobicContact CE2-CB 4.04Å; F201-N289 HydrophobicContact CZ-CB 3.48Å; F201-N289 VanDerWaalsContact CZ-CB 3.48Å; F256-N289 HydrophobicContact CE2-CB 3.98Å; F256-N289 HydrophobicContact CZ-CB 4.3Å; F256-N289 PolarHBondContact O-OD1 2.94Å; K258-N289 PolarHBondContact N-OD1 2.84Å
290	S	85.9	Confident	80.4	Confident	7 Å²	7	47.8 Å²	47.8	5%	0.049	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-94.9	165.3	173.7	57.3	0	0	0	0	111.6	F256 S257 C296	F256-S290 VanDerWaalsContact C-OG 3.26Å; F256-S290 PolarHBondContact O-N 2.85Å; F256-S290 PolarHBondContact O-OG 2.78Å; S257-S290 WeakPolarHBondContact CA-OG 3.27Å; S257-S290 PolarHBondContact N-OG 3.49Å; S290-C296 CarbonylContact C-O 3.59Å; S290-C296 WeakPolarHBondContact CA-O 3.48Å; S290-C296 WeakPolarHBondContact CB-O 3.47Å
291	S	77.4	Confident	81.7	Confident	16 Å²	16	41.6 Å²	41.6	11%	0.112	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-49.2	157.2	161.5	63.1	0	0	0	0	112	Y293 Y294 C296 D304	S291-Y293 PolarHBondContact O-N 2.78Å; S291-Y294 VanDerWaalsContact CB-CE1 3.41Å; S291-Y294 VanDerWaalsContact OG-CD1 3.26Å; S291-Y294 WeakPolarHBondContact OG-CD1 3.46Å; S291-Y294 WeakPolarHBondContact OG-CE1 3.25Å; S291-C296 PolarHBondContact N-O 3.02Å; S291-C296 WeakPolarHBondContact OG-CB 3.44Å; S291-C296 PolarHBondContact OG-N 3.43Å; S291-D304 WeakPolarHBondContact CB-OD1 3.49Å
292	V	66.5	Low	82.7	Confident	23 Å²	23	44.3 Å²	44.3	14%	0.139	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.5	-159	-170.9	0	0	0	0	115.6	S257 K258 F259	S257-V292 WeakPolarHBondContact CB-O 3.29Å; K258-V292 HydrophobicContact CD-CB 4.17Å; K258-V292 HydrophobicContact CD-CG1 3.64Å; K258-V292 HydrophobicContact CD-CG2 3.86Å; K258-V292 HydrophobicContact CG-CG1 3.95Å; K258-V292 VanDerWaalsContact NZ-CG2 3.31Å; F259-V292 HydrophobicContact CE2-CG1 3.91Å; F259-V292 WeakPolarHBondContact CE2-O 3.43Å; F259-V292 HydrophobicContact CZ-CG1 4.05Å
293	Y	70.4	Confident	84	Confident	70 Å²	70	41.2 Å²	41.2	28%	0.275	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-18.8	-170.6	-56.8	-72.6	0	0	0	115.7	F259 S291 L311 I438	F259-Y293 AromaticContact CE2-CD1 3.74Å; F259-Y293 HydrophobicContact CE2-CD1 3.74Å; F259-Y293 AromaticContact CE2-CE1 3.3Å; F259-Y293 HydrophobicContact CE2-CE1 3.3Å; F259-Y293 HydrophobicContact CZ-CD1 4.36Å; F259-Y293 AromaticContact CZ-CE1 3.46Å; F259-Y293 HydrophobicContact CZ-CE1 3.46Å; F259-Y293 VanDerWaalsContact CZ-CE1 3.46Å; F259-Y293 AromaticContact CZ-CZ 3.9Å; S291-Y293 PolarHBondContact O-N 2.78Å; Y293-L311 HydrophobicContact CD2-CD2 4.34Å; Y293-L311 HydrophobicContact CE2-CD2 4.31Å; Y293-I438 WeakPolarHBondContact O-CD1 3.49Å; Y293-I438 WeakPolarHBondContact O-CG1 3.38Å
294	Y	81.8	Confident	84.7	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	18.1	-156.8	65	-75.1	0	0	0	116	S291 C296 C301 C303 D304 I307 N410 P413 I438	S291-Y294 VanDerWaalsContact CB-CE1 3.41Å; S291-Y294 VanDerWaalsContact OG-CD1 3.26Å; S291-Y294 WeakPolarHBondContact OG-CD1 3.46Å; S291-Y294 WeakPolarHBondContact OG-CE1 3.25Å; Y294-C296 HydrophobicContact CD2-CB 4.11Å; Y294-C296 HydrophobicContact CE2-CB 3.5Å; Y294-C296 VanDerWaalsContact CE2-CB 3.5Å; Y294-C296 PolarHBondContact O-N 3.4Å; Y294-C301 WeakPolarHBondContact CE2-O 3.34Å; Y294-C303 PolarHBondContact OH-N 2.77Å; Y294-D304 WeakPolarHBondContact CE1-OD1 3.36Å; Y294-D304 VanDerWaalsContact CZ-OD1 3.26Å; Y294-D304 PolarHBondContact OH-N 2.76Å; Y294-D304 PolarHBondContact OH-OD1 2.97Å; Y294-I307 HydrophobicContact CD1-CB 4.49Å; Y294-I307 HydrophobicContact CD1-CD1 3.65Å; Y294-I307 HydrophobicContact CD1-CG2 4.01Å; Y294-I307 HydrophobicContact CD2-CD1 3.23Å; Y294-I307 HydrophobicContact CE1-CB 4.44Å; Y294-I307 HydrophobicContact CE1-CD1 3.63Å; Y294-I307 HydrophobicContact CE1-CG2 4.41Å; Y294-I307 HydrophobicContact CE2-CD1 3.29Å; Y294-I307 HydrophobicContact CG-CD1 3.52Å; Y294-I307 HydrophobicContact CG-CG2 4.49Å; Y294-N410 WeakPolarHBondContact CB-O 3.41Å; Y294-N410 VanDerWaalsContact CB-OD1 3.3Å; Y294-N410 WeakPolarHBondContact CB-OD1 3.47Å; Y294-P413 HydrophobicContact CD2-CG 3.37Å; Y294-P413 HydrophobicContact CE2-CG 3.76Å; Y294-P413 HydrophobicContact CG-CG 4.46Å; Y294-P413 WeakPolarHBondContact O-CB 3.49Å; Y294-P413 VanDerWaalsContact O-CG 3.31Å; Y294-P413 WeakPolarHBondContact O-CG 3.47Å; Y294-I438 VanDerWaalsContact CA-CD1 3.49Å
295	G	86.5	Confident	84.9	Confident	5 Å²	5	44.1 Å²	44.1	5%	0.052	25%	0.246	C	C	.	.			trans	72.2	9.5	168.4	0	0	0	0	0	114.6	T297 F432	G295-T297 PolarHBondContact O-N 2.89Å; G295-F432 WeakPolarHBondContact O-CE1 3.38Å
296	C	90.5	Very high	84.8	Confident	7 Å²	7	45.2 Å²	45.2	5%	0.047	25%	0.252	C	S	.	.			trans	-72.2	130.8	177.1	176.5	0	0	0	0	111.4	S290 S291 Y294 D298 C301 N302 P413	S290-C296 CarbonylContact C-O 3.59Å; S290-C296 WeakPolarHBondContact CA-O 3.48Å; S290-C296 WeakPolarHBondContact CB-O 3.47Å; S291-C296 PolarHBondContact N-O 3.02Å; S291-C296 WeakPolarHBondContact OG-CB 3.44Å; S291-C296 PolarHBondContact OG-N 3.43Å; Y294-C296 HydrophobicContact CD2-CB 4.11Å; Y294-C296 HydrophobicContact CE2-CB 3.5Å; Y294-C296 VanDerWaalsContact CE2-CB 3.5Å; Y294-C296 PolarHBondContact O-N 3.4Å; C296-D298 PolarHBondContact SG-O 2.87Å; C296-C301 WeakPolarHBondContact CA-SG 3.43Å; C296-C301 HydrophobicContact CB-CB 3.87Å; C296-C301 WeakPolarHBondContact CB-SG 3.34Å; C296-C301 WeakPolarHBondContact SG-CA 3.47Å; C296-C301 WeakPolarHBondContact SG-CB 3.43Å; C296-C301 PolarHBondContact SG-O 2.93Å; C296-C301 CovalentContact SG-SG 2.03Å; C296-C301 PolarHBondContact SG-SG 3.3Å; C296-N302 PolarHBondContact SG-N 2.79Å; C296-N302 VanDerWaalsContact SG-N 3.39Å; C296-P413 HydrophobicContact CB-CB 3.87Å; C296-P413 HydrophobicContact CB-CG 3.83Å
297	T	88.4	Confident	84.7	Confident	60 Å²	60	41.5 Å²	41.5	37%	0.368	24%	0.235	S	C	.	.			trans	-118.1	-6.5	-175.2	53.4	0	0	0	0	114.1	T255 T288 G295	T255-T297 HydrophobicContact CG2-CG2 3.6Å; T288-T297 HydrophobicContact CG2-CG2 3.57Å; G295-T297 PolarHBondContact O-N 2.89Å
298	D	86.3	Confident	84.6	Confident	56 Å²	56	46.4 Å²	46.4	30%	0.299	26%	0.256	S	S	.	.	S	Bend	trans	-137.9	174.1	-177.2	64.3	52.4	0	0	0	111.9	C296 E300 C301 R416	C296-D298 PolarHBondContact SG-O 2.87Å; D298-E300 VanDerWaalsContact C-N 3.31Å; D298-E300 PolarHBondContact O-N 2.9Å; D298-E300 WeakPolarHBondContact OD1-CA 3.37Å; D298-E300 WeakPolarHBondContact OD1-CB 3.41Å; D298-E300 PolarHBondContact OD1-N 3.49Å; D298-C301 PolarHBondContact O-SG 3.36Å; D298-C301 PolarHBondContact OD1-N 3.32Å; D298-C301 PolarHBondContact OD1-SG 3.43Å; D298-C301 VanDerWaalsContact OD1-SG 3.41Å; D298-R416 IonicContact OD1-CZ 2.73Å; D298-R416 IonicContact OD1-NH1 3.51Å; D298-R416 PolarHBondContact OD1-NH1 2.87Å; D298-R416 IonicContact OD1-NH2 3.74Å; D298-R416 IonicContact OD2-CZ 3.58Å; D298-R416 IonicContact OD2-NH1 2.7Å; D298-R416 PolarHBondContact OD2-NH1 3.09Å; D298-R416 IonicContact OD2-NH2 3.7Å
299	A	84.8	Confident	84.6	Confident	91 Å²	91	46.4 Å²	46.4	75%	0.752	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-70.6	-26.7	-177.4	0	0	0	0	0	113.1	C301 N302	A299-C301 VanDerWaalsContact C-N 3.28Å; A299-C301 PolarHBondContact O-N 3.07Å; A299-N302 PolarHBondContact O-N 3.4Å
300	E	83.8	Confident	84.8	Confident	117 Å²	117	44.1 Å²	44.1	55%	0.547	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-73.4	-22.4	-174.8	-63.7	-179.3	-161.4	0	0	112.3	D298 R416 F522	D298-E300 VanDerWaalsContact C-N 3.31Å; D298-E300 PolarHBondContact O-N 2.9Å; D298-E300 WeakPolarHBondContact OD1-CA 3.37Å; D298-E300 WeakPolarHBondContact OD1-CB 3.41Å; D298-E300 PolarHBondContact OD1-N 3.49Å; E300-R416 IonicContact OE2-CZ 2.66Å; E300-R416 IonicContact OE2-NE 3.81Å; E300-R416 IonicContact OE2-NH2 3.18Å; E300-R416 PolarHBondContact OE2-NH2 3.29Å; E300-F522 WeakPolarHBondContact O-CD1 3.06Å; E300-F522 WeakPolarHBondContact O-CE1 3.36Å
301	C	86.9	Confident	85	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-102.5	3.4	174.5	59.2	0	0	0	0	114.5	Y294 C296 D298 A299 C303 P413 F522	Y294-C301 WeakPolarHBondContact CE2-O 3.34Å; C296-C301 WeakPolarHBondContact CA-SG 3.43Å; C296-C301 HydrophobicContact CB-CB 3.87Å; C296-C301 WeakPolarHBondContact CB-SG 3.34Å; C296-C301 WeakPolarHBondContact SG-CA 3.47Å; C296-C301 WeakPolarHBondContact SG-CB 3.43Å; C296-C301 PolarHBondContact SG-O 2.93Å; C296-C301 CovalentContact SG-SG 2.03Å; C296-C301 PolarHBondContact SG-SG 3.3Å; D298-C301 PolarHBondContact O-SG 3.36Å; D298-C301 PolarHBondContact OD1-N 3.32Å; D298-C301 PolarHBondContact OD1-SG 3.43Å; D298-C301 VanDerWaalsContact OD1-SG 3.41Å; A299-C301 VanDerWaalsContact C-N 3.28Å; A299-C301 PolarHBondContact O-N 3.07Å; C301-C303 PolarHBondContact O-N 3.49Å; C301-P413 HydrophobicContact CB-CB 3.98Å; C301-P413 HydrophobicContact CB-CG 4.05Å; C301-F522 VanDerWaalsContact CA-CE1 3.5Å; C301-F522 HydrophobicContact CB-CZ 4.38Å; C301-F522 WeakPolarHBondContact O-CZ 3.41Å
302	N	86.7	Confident	85.7	Confident	91 Å²	91	50.5 Å²	50.5	49%	0.487	27%	0.272	S	S	.	.			trans	-79.8	114.5	-169.3	-175.1	-11.8	0	0	0	112.6	C296 A299 D304	C296-N302 PolarHBondContact SG-N 2.79Å; C296-N302 VanDerWaalsContact SG-N 3.39Å; A299-N302 PolarHBondContact O-N 3.4Å; N302-D304 PolarHBondContact OD1-N 3.4Å; N302-D304 PolarHBondContact OD1-OD1 3.35Å
303	C	87.4	Confident	87	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.034	27%	0.272	C	S	.	.			trans	-138.8	34.6	179.1	-51.4	0	0	0	0	112.8	Y294 C301 N305 V306 I307 F522 C527	Y294-C303 PolarHBondContact OH-N 2.77Å; C301-C303 PolarHBondContact O-N 3.49Å; C303-N305 VanDerWaalsContact C-N 3.31Å; C303-N305 PolarHBondContact O-N 3.13Å; C303-V306 PolarHBondContact O-N 2.98Å; C303-I307 HydrophobicContact CB-CD1 4.02Å; C303-I307 HydrophobicContact CB-CG1 4.25Å; C303-I307 PolarHBondContact O-N 2.86Å; C303-F522 HydrophobicContact CB-CZ 4.42Å; C303-F522 WeakPolarHBondContact SG-CE1 3.43Å; C303-F522 WeakPolarHBondContact SG-CZ 2.95Å; C303-C527 HydrophobicContact CB-CB 3.77Å; C303-C527 WeakPolarHBondContact CB-SG 3.35Å; C303-C527 WeakPolarHBondContact SG-CB 3.04Å; C303-C527 CovalentContact SG-SG 1.99Å; C303-C527 PolarHBondContact SG-SG 2.78Å
304	D	86.7	Confident	88	Confident	53 Å²	53	48.5 Å²	48.5	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-51.3	-45.7	-171.1	-82.2	12.4	0	0	0	113.8	S291 Y294 N302 K308	S291-D304 WeakPolarHBondContact CB-OD1 3.49Å; Y294-D304 WeakPolarHBondContact CE1-OD1 3.36Å; Y294-D304 VanDerWaalsContact CZ-OD1 3.26Å; Y294-D304 PolarHBondContact OH-N 2.76Å; Y294-D304 PolarHBondContact OH-OD1 2.97Å; N302-D304 PolarHBondContact OD1-N 3.4Å; N302-D304 PolarHBondContact OD1-OD1 3.35Å; D304-K308 WeakPolarHBondContact O-CB 3.44Å; D304-K308 PolarHBondContact O-N 2.83Å
305	N	86	Confident	88.5	Confident	129 Å²	129	51.5 Å²	51.5	69%	0.69	28%	0.279	S	S	*	.	H	α-helix	trans	-67.9	-43.8	-176.6	-70.4	-25.9	0	0	0	112.2	C303 T309	C303-N305 VanDerWaalsContact C-N 3.31Å; C303-N305 PolarHBondContact O-N 3.13Å; N305-T309 WeakPolarHBondContact O-CB 3.42Å; N305-T309 PolarHBondContact O-N 3.13Å; N305-T309 PolarHBondContact O-OG1 3.35Å
306	V	87.5	Confident	88.8	Confident	25 Å²	25	54 Å²	54	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-68.2	-48.9	179.9	178.2	0	0	0	0	109.8	C303 K308 T309 L310 L409	C303-V306 PolarHBondContact O-N 2.98Å; V306-K308 VanDerWaalsContact C-N 3.32Å; V306-K308 PolarHBondContact O-N 2.85Å; V306-T309 WeakPolarHBondContact O-CB 3.09Å; V306-T309 PolarHBondContact O-N 3.22Å; V306-L310 HydrophobicContact CG1-CD1 3.78Å; V306-L310 HydrophobicContact CG1-CG 4.14Å; V306-L310 WeakPolarHBondContact O-CG 3.28Å; V306-L310 PolarHBondContact O-N 2.74Å; V306-L409 HydrophobicContact CG1-CD1 3.97Å
307	I	88.3	Confident	88.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-41.8	179.4	-70.6	172.9	0	0	0	111.3	Y294 C303 T309 L310 L311 Y406 L409	Y294-I307 HydrophobicContact CD1-CB 4.49Å; Y294-I307 HydrophobicContact CD1-CD1 3.65Å; Y294-I307 HydrophobicContact CD1-CG2 4.01Å; Y294-I307 HydrophobicContact CD2-CD1 3.23Å; Y294-I307 HydrophobicContact CE1-CB 4.44Å; Y294-I307 HydrophobicContact CE1-CD1 3.63Å; Y294-I307 HydrophobicContact CE1-CG2 4.41Å; Y294-I307 HydrophobicContact CE2-CD1 3.29Å; Y294-I307 HydrophobicContact CG-CD1 3.52Å; Y294-I307 HydrophobicContact CG-CG2 4.49Å; C303-I307 HydrophobicContact CB-CD1 4.02Å; C303-I307 HydrophobicContact CB-CG1 4.25Å; C303-I307 PolarHBondContact O-N 2.86Å; I307-T309 VanDerWaalsContact C-N 3.31Å; I307-T309 PolarHBondContact O-N 2.91Å; I307-L310 PolarHBondContact O-N 2.92Å; I307-L311 VanDerWaalsContact O-CB 3.29Å; I307-L311 WeakPolarHBondContact O-CB 3.43Å; I307-L311 PolarHBondContact O-N 3.43Å; I307-Y406 HydrophobicContact CG2-CD2 4.43Å; I307-Y406 HydrophobicContact CG2-CE2 4.09Å; I307-L409 HydrophobicContact CD1-CB 3.91Å; I307-L409 HydrophobicContact CG1-CB 3.76Å; I307-L409 HydrophobicContact CG1-CD1 3.98Å; I307-L409 HydrophobicContact CG1-CG 4.43Å
308	K	88.1	Confident	89.1	Confident	113 Å²	113	53 Å²	53	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-42.8	174.5	-177.8	-176.8	176.9	-171	0	111.6	D304 V306 Q312	D304-K308 WeakPolarHBondContact O-CB 3.44Å; D304-K308 PolarHBondContact O-N 2.83Å; V306-K308 VanDerWaalsContact C-N 3.32Å; V306-K308 PolarHBondContact O-N 2.85Å; K308-Q312 VanDerWaalsContact O-CG 3.3Å; K308-Q312 WeakPolarHBondContact O-CG 3.25Å; K308-Q312 PolarHBondContact O-N 3.31Å
309	T	90.3	Very high	89.5	Confident	43 Å²	43	51.4 Å²	51.4	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-43	179.1	-59.2	0	0	0	0	111.7	N305 V306 I307 Q312 T313 R531	N305-T309 WeakPolarHBondContact O-CB 3.42Å; N305-T309 PolarHBondContact O-N 3.13Å; N305-T309 PolarHBondContact O-OG1 3.35Å; V306-T309 WeakPolarHBondContact O-CB 3.09Å; V306-T309 PolarHBondContact O-N 3.22Å; I307-T309 VanDerWaalsContact C-N 3.31Å; I307-T309 PolarHBondContact O-N 2.91Å; T309-Q312 PolarHBondContact O-N 3.29Å; T309-T313 WeakPolarHBondContact O-CB 3.5Å; T309-T313 PolarHBondContact O-N 3.28Å; T309-T313 PolarHBondContact O-OG1 3.43Å; T309-R531 VanDerWaalsContact CG2-NH1 3.32Å
310	L	91.2	Very high	89.8	Confident	12 Å²	12	48 Å²	48	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-43	176.4	-66.2	172	0	0	0	111.1	V306 I307 Q312 T313 M314 V402 Q405 Y406 L409	V306-L310 HydrophobicContact CG1-CD1 3.78Å; V306-L310 HydrophobicContact CG1-CG 4.14Å; V306-L310 WeakPolarHBondContact O-CG 3.28Å; V306-L310 PolarHBondContact O-N 2.74Å; I307-L310 PolarHBondContact O-N 2.92Å; L310-Q312 PolarHBondContact O-N 3.36Å; L310-T313 PolarHBondContact O-N 2.8Å; L310-M314 VanDerWaalsContact O-CB 3.27Å; L310-M314 WeakPolarHBondContact O-CB 3.18Å; L310-M314 PolarHBondContact O-N 3.11Å; L310-V402 HydrophobicContact CD2-CB 3.78Å; L310-V402 HydrophobicContact CD2-CG1 4Å; L310-V402 HydrophobicContact CD2-CG2 4.27Å; L310-V402 WeakPolarHBondContact O-CG2 3.45Å; L310-Q405 HydrophobicContact CD1-CB 4.25Å; L310-Q405 HydrophobicContact CD2-CB 4.33Å; L310-Y406 HydrophobicContact CB-CD2 4.22Å; L310-L409 HydrophobicContact CD1-CD1 3.51Å
311	L	90.5	Very high	90.3	Very high	38 Å²	38	43.5 Å²	43.5	20%	0.199	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-46.2	174.9	176.8	56.1	0	0	0	111.8	Y293 I307 T313 M314 K315 Y406	Y293-L311 HydrophobicContact CD2-CD2 4.34Å; Y293-L311 HydrophobicContact CE2-CD2 4.31Å; I307-L311 VanDerWaalsContact O-CB 3.29Å; I307-L311 WeakPolarHBondContact O-CB 3.43Å; I307-L311 PolarHBondContact O-N 3.43Å; L311-T313 VanDerWaalsContact C-N 3.34Å; L311-M314 HydrophobicContact CD1-CE 3.8Å; L311-K315 WeakPolarHBondContact O-CB 3.34Å; L311-K315 PolarHBondContact O-N 3.36Å; L311-Y406 HydrophobicContact CB-CD2 4.12Å; L311-Y406 HydrophobicContact CB-CE2 3.7Å; L311-Y406 HydrophobicContact CD1-CE2 4.01Å; L311-Y406 HydrophobicContact CG-CE2 4.31Å
312	Q	91.2	Very high	90.7	Very high	120 Å²	120	43.5 Å²	43.5	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-63.7	-40.4	177.1	-74.3	177	-18.2	0	0	112.1	K308 T309 L310 A316	K308-Q312 VanDerWaalsContact O-CG 3.3Å; K308-Q312 WeakPolarHBondContact O-CG 3.25Å; K308-Q312 PolarHBondContact O-N 3.31Å; T309-Q312 PolarHBondContact O-N 3.29Å; L310-Q312 PolarHBondContact O-N 3.36Å; Q312-A316 PolarHBondContact O-N 3.44Å
313	T	93.2	Very high	90.9	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.141	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-47.5	178.7	-54	0	0	0	0	110.6	T309 L310 L311 K315 A316 E317 V402	T309-T313 WeakPolarHBondContact O-CB 3.5Å; T309-T313 PolarHBondContact O-N 3.28Å; T309-T313 PolarHBondContact O-OG1 3.43Å; L310-T313 PolarHBondContact O-N 2.8Å; L311-T313 VanDerWaalsContact C-N 3.34Å; T313-K315 VanDerWaalsContact C-N 3.31Å; T313-K315 PolarHBondContact O-N 3.19Å; T313-A316 PolarHBondContact O-N 3.06Å; T313-A316 VanDerWaalsContact O-N 3.12Å; T313-E317 WeakPolarHBondContact O-CG 3.48Å; T313-E317 PolarHBondContact O-N 2.86Å; T313-V402 HydrophobicContact CG2-CG1 3.9Å; T313-V402 HydrophobicContact CG2-CG2 3.79Å
314	M	92	Very high	91.2	Very high	28 Å²	28	47.2 Å²	47.2	14%	0.138	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-43.4	175.5	-175.4	-169.2	72.9	0	0	111.5	L310 L311 E317 S318 V402 Y406	L310-M314 VanDerWaalsContact O-CB 3.27Å; L310-M314 WeakPolarHBondContact O-CB 3.18Å; L310-M314 PolarHBondContact O-N 3.11Å; L311-M314 HydrophobicContact CD1-CE 3.8Å; M314-E317 PolarHBondContact O-N 3.44Å; M314-S318 WeakPolarHBondContact O-CB 3.29Å; M314-S318 PolarHBondContact O-N 3.36Å; M314-V402 HydrophobicContact CB-CG2 3.97Å; M314-Y406 HydrophobicContact CE-CD1 3.87Å; M314-Y406 HydrophobicContact CE-CE1 3.75Å; M314-Y406 HydrophobicContact SD-CD1 3.38Å; M314-Y406 WeakPolarHBondContact SD-CD1 3.09Å; M314-Y406 HydrophobicContact SD-CE1 3.89Å; M314-Y406 HydrophobicContact SD-CG 4.02Å
315	K	91.9	Very high	91.5	Very high	64 Å²	64	49.1 Å²	49.1	28%	0.278	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-45.1	175.5	-178.7	158.3	-170.8	166.7	0	111.4	L311 T313 E317 S318 Q319 D349 D352	L311-K315 WeakPolarHBondContact O-CB 3.34Å; L311-K315 PolarHBondContact O-N 3.36Å; T313-K315 VanDerWaalsContact C-N 3.31Å; T313-K315 PolarHBondContact O-N 3.19Å; K315-E317 PolarHBondContact O-N 3.33Å; K315-S318 PolarHBondContact O-N 3.27Å; K315-Q319 HydrophobicContact CG-CG 4.42Å; K315-Q319 WeakPolarHBondContact O-CB 3.46Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 2.88Å; K315-D349 WeakPolarHBondContact CG-OD2 3.19Å; K315-D352 IonicContact NZ-OD1 2.73Å; K315-D352 PolarHBondContact NZ-OD1 3.07Å; K315-D352 IonicContact NZ-OD2 2.76Å; K315-D352 PolarHBondContact NZ-OD2 3.15Å
316	A	92.8	Very high	91.8	Very high	56 Å²	56	43.5 Å²	43.5	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-39.7	177.4	0	0	0	0	0	112.6	Q312 T313 G320	Q312-A316 PolarHBondContact O-N 3.44Å; T313-A316 PolarHBondContact O-N 3.06Å; T313-A316 VanDerWaalsContact O-N 3.12Å; A316-G320 PolarHBondContact O-N 3.04Å
317	E	93	Very high	92.1	Very high	37 Å²	37	47.1 Å²	47.1	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-46.9	175.1	-70.9	172.1	160.3	0	0	111.5	T313 M314 K315 Q319 G320 L321 M395 G401 V402	T313-E317 WeakPolarHBondContact O-CG 3.48Å; T313-E317 PolarHBondContact O-N 2.86Å; M314-E317 PolarHBondContact O-N 3.44Å; K315-E317 PolarHBondContact O-N 3.33Å; E317-Q319 PolarHBondContact O-N 2.97Å; E317-G320 PolarHBondContact O-N 2.77Å; E317-L321 WeakPolarHBondContact O-CB 3.4Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.05Å; E317-M395 HydrophobicContact CB-CE 3.79Å; E317-G401 WeakPolarHBondContact OE1-CA 3.35Å; E317-G401 WeakPolarHBondContact OE2-CA 3.22Å; E317-V402 PolarHBondContact OE2-N 2.9Å; E317-V402 VanDerWaalsContact OE2-N 3.08Å
318	S	92.8	Very high	92.3	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-49.2	175.3	174.5	0	0	0	0	111.6	M314 K315 L321 F322 Q391	M314-S318 WeakPolarHBondContact O-CB 3.29Å; M314-S318 PolarHBondContact O-N 3.36Å; K315-S318 PolarHBondContact O-N 3.27Å; S318-L321 PolarHBondContact O-N 3.39Å; S318-F322 WeakPolarHBondContact O-CB 3.17Å; S318-F322 PolarHBondContact O-N 2.99Å; S318-Q391 PolarHBondContact O-NE2 3.09Å
319	Q	93.6	Very high	92.5	Very high	23 Å²	23	60.4 Å²	60.4	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-45.1	177.1	-76.3	174.6	-21.5	0	0	112.6	K315 E317 F322 Q323 H347 D349	K315-Q319 HydrophobicContact CG-CG 4.42Å; K315-Q319 WeakPolarHBondContact O-CB 3.46Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 2.88Å; E317-Q319 PolarHBondContact O-N 2.97Å; Q319-F322 PolarHBondContact O-N 3.22Å; Q319-Q323 WeakPolarHBondContact O-CB 3.44Å; Q319-Q323 PolarHBondContact O-N 3.08Å; Q319-H347 HydrophobicContact CB-CB 3.97Å; Q319-H347 HydrophobicContact CG-CB 4.32Å; Q319-H347 PolarHBondContact NE2-O 2.91Å; Q319-D349 HydrophobicContact CG-CB 3.8Å
320	G	93	Very high	92.6	Very high	18 Å²	18	59.1 Å²	59.1	19%	0.186	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-46.1	178.1	0	0	0	0	0	111.9	A316 E317 Q323 L324	A316-G320 PolarHBondContact O-N 3.04Å; E317-G320 PolarHBondContact O-N 2.77Å; G320-Q323 PolarHBondContact O-N 3.25Å; G320-L324 WeakPolarHBondContact O-CB 3.49Å; G320-L324 WeakPolarHBondContact O-CG 3.42Å; G320-L324 PolarHBondContact O-N 2.95Å; G320-L324 VanDerWaalsContact O-N 3.13Å
321	L	93.3	Very high	92.7	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-41	176.2	-74.8	174.7	0	0	0	112.2	E317 S318 Q323 L324 E325 Y387 Q391 M395	E317-L321 WeakPolarHBondContact O-CB 3.4Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.05Å; S318-L321 PolarHBondContact O-N 3.39Å; L321-Q323 VanDerWaalsContact C-N 3.34Å; L321-Q323 PolarHBondContact O-N 3.45Å; L321-L324 PolarHBondContact O-N 3.41Å; L321-L324 VanDerWaalsContact O-N 3.13Å; L321-E325 HydrophobicContact CD2-CG 4.49Å; L321-E325 WeakPolarHBondContact O-CB 3.23Å; L321-E325 PolarHBondContact O-N 3.19Å; L321-Y387 VanDerWaalsContact C-OH 3.22Å; L321-Y387 PolarHBondContact O-OH 3.46Å; L321-Y387 VanDerWaalsContact O-OH 3.1Å; L321-Q391 HydrophobicContact CD1-CG 4.39Å; L321-M395 HydrophobicContact CD1-CG 4.01Å; L321-M395 HydrophobicContact CD1-SD 3.81Å
322	F	94.3	Very high	92.8	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-46.1	176.1	-176	-120.6	0	0	0	111.4	S318 Q319 L324 A326 I330 L331 I348 P350 V353 Y387	S318-F322 WeakPolarHBondContact O-CB 3.17Å; S318-F322 PolarHBondContact O-N 2.99Å; Q319-F322 PolarHBondContact O-N 3.22Å; F322-L324 PolarHBondContact O-N 2.51Å; F322-A326 HydrophobicContact CD2-CB 3.51Å; F322-A326 HydrophobicContact CE2-CB 3.56Å; F322-A326 HydrophobicContact CG-CB 4.29Å; F322-A326 HydrophobicContact CZ-CB 4.37Å; F322-A326 WeakPolarHBondContact O-CB 3.34Å; F322-A326 PolarHBondContact O-N 2.64Å; F322-A326 VanDerWaalsContact O-N 3.08Å; F322-I330 HydrophobicContact CE2-CG2 3.96Å; F322-I330 HydrophobicContact CZ-CG2 3.81Å; F322-L331 HydrophobicContact CD1-CD2 3.81Å; F322-L331 HydrophobicContact CE1-CD2 3.64Å; F322-L331 HydrophobicContact CG-CD2 4.36Å; F322-L331 HydrophobicContact CZ-CD2 4.04Å; F322-I348 VanDerWaalsContact CD1-O 3.31Å; F322-I348 WeakPolarHBondContact CD1-O 3.37Å; F322-I348 HydrophobicContact CE1-CB 4.35Å; F322-I348 HydrophobicContact CE1-CG2 4.06Å; F322-P350 HydrophobicContact CB-CG 4.35Å; F322-P350 HydrophobicContact CD2-CB 3.96Å; F322-P350 HydrophobicContact CD2-CG 4.24Å; F322-P350 HydrophobicContact CE2-CB 4.04Å; F322-P350 HydrophobicContact CG-CB 4.31Å; F322-P350 HydrophobicContact CG-CG 4.28Å; F322-P350 HydrophobicContact CZ-CB 4.47Å; F322-V353 HydrophobicContact CE1-CG2 4.49Å; F322-V353 HydrophobicContact CZ-CG2 4.48Å; F322-Y387 VanDerWaalsContact CA-OH 3.27Å; F322-Y387 WeakPolarHBondContact CA-OH 3.35Å; F322-Y387 HydrophobicContact CB-CE1 4.15Å; F322-Y387 AromaticContact CD2-CD1 3.67Å; F322-Y387 HydrophobicContact CD2-CD1 3.67Å; F322-Y387 AromaticContact CD2-CE1 3.42Å; F322-Y387 HydrophobicContact CD2-CE1 3.42Å; F322-Y387 VanDerWaalsContact CD2-CE1 3.42Å; F322-Y387 HydrophobicContact CD2-CG 4.46Å; F322-Y387 HydrophobicContact CE2-CD1 4.08Å; F322-Y387 HydrophobicContact CE2-CE1 4.28Å; F322-Y387 HydrophobicContact CG-CE1 4.26Å; F322-Y387 PolarHBondContact N-OH 3.46Å
323	Q	92.2	Very high	92.9	Very high	71 Å²	71	56 Å²	56	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-25.1	177.7	-176.1	53.6	76.8	0	0	113.5	Q319 G320 L321	Q319-Q323 WeakPolarHBondContact O-CB 3.44Å; Q319-Q323 PolarHBondContact O-N 3.08Å; G320-Q323 PolarHBondContact O-N 3.25Å; L321-Q323 VanDerWaalsContact C-N 3.34Å; L321-Q323 PolarHBondContact O-N 3.45Å
324	L	92.3	Very high	92.9	Very high	103 Å²	103	54.9 Å²	54.9	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-92.8	-38.1	-178.9	-71.3	172.7	0	0	0	113.8	V29 G320 L321 F322	V29-L324 HydrophobicContact CG1-CD1 4.21Å; G320-L324 WeakPolarHBondContact O-CB 3.49Å; G320-L324 WeakPolarHBondContact O-CG 3.42Å; G320-L324 PolarHBondContact O-N 2.95Å; G320-L324 VanDerWaalsContact O-N 3.13Å; L321-L324 PolarHBondContact O-N 3.41Å; L321-L324 VanDerWaalsContact O-N 3.13Å; F322-L324 PolarHBondContact O-N 2.51Å
325	E	94.3	Very high	92.9	Very high	92 Å²	92	57.4 Å²	57.4	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-108.6	-22.7	-167	-58.8	-171.6	165.6	0	0	113.7	L321 Y387 K394	L321-E325 HydrophobicContact CD2-CG 4.49Å; L321-E325 WeakPolarHBondContact O-CB 3.23Å; L321-E325 PolarHBondContact O-N 3.19Å; E325-Y387 HydrophobicContact CB-CE2 4.05Å; E325-K394 VanDerWaalsContact CD-NZ 3.32Å; E325-K394 IonicContact OE1-NZ 3.29Å; E325-K394 PolarHBondContact OE1-NZ 2.71Å; E325-K394 IonicContact OE2-NZ 3.92Å; E325-K394 PolarHBondContact OE2-NZ 2.85Å
326	A	93	Very high	92.9	Very high	12 Å²	12	58.4 Å²	58.4	10%	0.099	28%	0.282	C	S	.	.	S	Bend	trans	-70.5	150.2	-177.7	0	0	0	0	0	112.3	F322 R328 L331 Y387	F322-A326 HydrophobicContact CD2-CB 3.51Å; F322-A326 HydrophobicContact CE2-CB 3.56Å; F322-A326 HydrophobicContact CG-CB 4.29Å; F322-A326 HydrophobicContact CZ-CB 4.37Å; F322-A326 WeakPolarHBondContact O-CB 3.34Å; F322-A326 PolarHBondContact O-N 2.64Å; F322-A326 VanDerWaalsContact O-N 3.08Å; A326-R328 PolarHBondContact O-N 3.4Å; A326-L331 HydrophobicContact CB-CD1 4.34Å; A326-L331 HydrophobicContact CB-CD2 4.08Å; A326-L331 HydrophobicContact CB-CG 3.99Å; A326-Y387 HydrophobicContact CB-CD2 4.37Å; A326-Y387 HydrophobicContact CB-CE2 4.18Å
327	D	92.9	Very high	92.8	Very high	101 Å²	101	55.9 Å²	55.9	54%	0.54	26%	0.261	S	S	.	.			trans	-57.1	138.7	175.2	-169.2	-63.7	0	0	0	110.3	R329 I330 L331	D327-R329 PolarHBondContact O-N 3.37Å; D327-R329 VanDerWaalsContact OD1-CB 3.32Å; D327-R329 WeakPolarHBondContact OD1-CB 3.06Å; D327-R329 PolarHBondContact OD1-N 2.83Å; D327-I330 HydrophobicContact CB-CB 4.48Å; D327-I330 HydrophobicContact CB-CD1 4.01Å; D327-I330 HydrophobicContact CB-CG1 4.12Å; D327-I330 WeakPolarHBondContact O-CA 3.42Å; D327-I330 WeakPolarHBondContact O-CB 3.31Å; D327-I330 PolarHBondContact O-N 3.21Å; D327-L331 PolarHBondContact O-N 3.26Å; D327-L331 VanDerWaalsContact O-N 3.08Å
328	R	92.8	Very high	92.7	Very high	194 Å²	194	54.2 Å²	54.2	73%	0.732	25%	0.253	S	S	*	.	H	α-helix	trans	-54.6	-39.2	179.4	-176.9	177.9	177	176.2	2.3	112.1	A326 I330 L331 D332	A326-R328 PolarHBondContact O-N 3.4Å; R328-I330 VanDerWaalsContact C-N 3.3Å; R328-I330 PolarHBondContact O-N 2.79Å; R328-L331 PolarHBondContact O-N 2.77Å; R328-D332 IonicContact NE-OD2 3.82Å; R328-D332 WeakPolarHBondContact O-CB 3.16Å; R328-D332 VanDerWaalsContact O-CG 3.23Å; R328-D332 PolarHBondContact O-N 3.48Å
329	R	91.6	Very high	92.4	Very high	198 Å²	198	59.1 Å²	59.1	75%	0.747	28%	0.278	S	S	*	.	H	α-helix	trans	-61.3	-40.6	176.9	-176.5	-178.6	175.8	176.1	-1.2	111.2	D327 V333	D327-R329 PolarHBondContact O-N 3.37Å; D327-R329 VanDerWaalsContact OD1-CB 3.32Å; D327-R329 WeakPolarHBondContact OD1-CB 3.06Å; D327-R329 PolarHBondContact OD1-N 2.83Å; R329-V333 WeakPolarHBondContact O-CG2 3.15Å; R329-V333 PolarHBondContact O-N 3.38Å
330	I	93.3	Very high	92	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-49.5	177.7	-66.8	172.5	0	0	0	109.8	F322 D327 R328 D332 V333 A334 Y380 D383 V384	F322-I330 HydrophobicContact CE2-CG2 3.96Å; F322-I330 HydrophobicContact CZ-CG2 3.81Å; D327-I330 HydrophobicContact CB-CB 4.48Å; D327-I330 HydrophobicContact CB-CD1 4.01Å; D327-I330 HydrophobicContact CB-CG1 4.12Å; D327-I330 WeakPolarHBondContact O-CA 3.42Å; D327-I330 WeakPolarHBondContact O-CB 3.31Å; D327-I330 PolarHBondContact O-N 3.21Å; R328-I330 VanDerWaalsContact C-N 3.3Å; R328-I330 PolarHBondContact O-N 2.79Å; I330-D332 PolarHBondContact O-N 2.96Å; I330-V333 PolarHBondContact O-N 2.96Å; I330-A334 WeakPolarHBondContact O-CB 3.34Å; I330-A334 PolarHBondContact O-N 3.38Å; I330-Y380 HydrophobicContact CB-CE2 4.47Å; I330-Y380 HydrophobicContact CG2-CE2 4.18Å; I330-Y380 PolarHBondContact O-OH 3.42Å; I330-D383 HydrophobicContact CD1-CB 3.91Å; I330-D383 HydrophobicContact CG1-CB 4.36Å; I330-V384 HydrophobicContact CG2-CG2 3.68Å
331	L	93.5	Very high	91.6	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-40.5	-179.6	-67.7	171.8	0	0	0	112.7	F322 A326 D327 R328 A334 K335	F322-L331 HydrophobicContact CD1-CD2 3.81Å; F322-L331 HydrophobicContact CE1-CD2 3.64Å; F322-L331 HydrophobicContact CG-CD2 4.36Å; F322-L331 HydrophobicContact CZ-CD2 4.04Å; A326-L331 HydrophobicContact CB-CD1 4.34Å; A326-L331 HydrophobicContact CB-CD2 4.08Å; A326-L331 HydrophobicContact CB-CG 3.99Å; D327-L331 PolarHBondContact O-N 3.26Å; D327-L331 VanDerWaalsContact O-N 3.08Å; R328-L331 PolarHBondContact O-N 2.77Å; L331-A334 PolarHBondContact O-N 2.82Å; L331-K335 WeakPolarHBondContact O-CB 3.3Å; L331-K335 VanDerWaalsContact O-CG 3.27Å; L331-K335 WeakPolarHBondContact O-CG 3.32Å; L331-K335 PolarHBondContact O-N 3.43Å
332	D	92.9	Very high	91.2	Very high	67 Å²	67	68.4 Å²	68.4	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-39.8	-179.3	-73.7	-14.4	0	0	0	111.5	R328 I330 K336	R328-D332 IonicContact NE-OD2 3.82Å; R328-D332 WeakPolarHBondContact O-CB 3.16Å; R328-D332 VanDerWaalsContact O-CG 3.23Å; R328-D332 PolarHBondContact O-N 3.48Å; I330-D332 PolarHBondContact O-N 2.96Å; D332-K336 WeakPolarHBondContact O-CG 3.3Å; D332-K336 PolarHBondContact O-N 3.44Å
333	V	93	Very high	90.6	Very high	21 Å²	21	70.1 Å²	70.1	13%	0.127	34%	0.34	C	S	.	.	H	α-helix	trans	-69.6	-43.9	174.8	174.9	0	0	0	0	110.9	R329 I330 K335 K336 M337 F374 T376 Y380	R329-V333 WeakPolarHBondContact O-CG2 3.15Å; R329-V333 PolarHBondContact O-N 3.38Å; I330-V333 PolarHBondContact O-N 2.96Å; V333-K335 VanDerWaalsContact C-N 3.35Å; V333-K335 PolarHBondContact O-N 2.83Å; V333-K336 PolarHBondContact O-N 3.24Å; V333-M337 WeakPolarHBondContact O-CB 3.34Å; V333-M337 PolarHBondContact O-N 2.85Å; V333-F374 HydrophobicContact CG1-CD2 4.31Å; V333-T376 HydrophobicContact CG1-CG2 3.8Å; V333-Y380 HydrophobicContact CB-CD2 4.12Å; V333-Y380 HydrophobicContact CB-CE2 3.53Å; V333-Y380 HydrophobicContact CG1-CD1 4.29Å; V333-Y380 HydrophobicContact CG1-CD2 3.92Å; V333-Y380 HydrophobicContact CG1-CE1 3.92Å; V333-Y380 HydrophobicContact CG1-CE2 3.53Å; V333-Y380 HydrophobicContact CG1-CG 4.28Å; V333-Y380 HydrophobicContact CG2-CE2 4.33Å
334	A	92.9	Very high	89.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-56.6	-48.5	177.4	0	0	0	0	0	111.3	I330 L331 M337 F338 I348 V353 Y380	I330-A334 WeakPolarHBondContact O-CB 3.34Å; I330-A334 PolarHBondContact O-N 3.38Å; L331-A334 PolarHBondContact O-N 2.82Å; A334-M337 PolarHBondContact O-N 2.97Å; A334-F338 WeakPolarHBondContact O-CB 3.13Å; A334-F338 VanDerWaalsContact O-CD2 3.28Å; A334-F338 WeakPolarHBondContact O-CD2 3.44Å; A334-F338 PolarHBondContact O-N 3.47Å; A334-I348 HydrophobicContact CB-CD1 3.95Å; A334-I348 HydrophobicContact CB-CG2 4.4Å; A334-V353 HydrophobicContact CB-CG2 4.08Å; A334-Y380 VanDerWaalsContact CA-OH 3.28Å; A334-Y380 WeakPolarHBondContact CA-OH 3.42Å; A334-Y380 WeakPolarHBondContact CB-OH 3.46Å; A334-Y380 PolarHBondContact N-OH 2.86Å; A334-Y380 VanDerWaalsContact N-OH 3.15Å
335	K	92.2	Very high	88.9	Confident	81 Å²	81	69.7 Å²	69.7	35%	0.352	35%	0.354	S	S	.	.	H	α-helix	trans	-57.5	-52.3	178.5	-75.4	171.6	-178.6	177.8	0	112	L331 V333 M337 F338 D339 I348	L331-K335 WeakPolarHBondContact O-CB 3.3Å; L331-K335 VanDerWaalsContact O-CG 3.27Å; L331-K335 WeakPolarHBondContact O-CG 3.32Å; L331-K335 PolarHBondContact O-N 3.43Å; V333-K335 VanDerWaalsContact C-N 3.35Å; V333-K335 PolarHBondContact O-N 2.83Å; K335-M337 VanDerWaalsContact C-N 3.29Å; K335-M337 PolarHBondContact O-N 2.83Å; K335-F338 PolarHBondContact O-N 3.09Å; K335-F338 VanDerWaalsContact O-N 3.16Å; K335-D339 WeakPolarHBondContact O-CB 3.34Å; K335-D339 PolarHBondContact O-N 2.88Å; K335-I348 HydrophobicContact CB-CD1 4.42Å; K335-I348 HydrophobicContact CG-CD1 3.8Å
336	K	91.8	Very high	87.9	Confident	86 Å²	86	71.3 Å²	71.3	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-39.2	179.4	-68.2	174.3	179.9	180	0	112.7	D332 V333 A340 Q373 F374	D332-K336 WeakPolarHBondContact O-CG 3.3Å; D332-K336 PolarHBondContact O-N 3.44Å; V333-K336 PolarHBondContact O-N 3.24Å; K336-A340 PolarHBondContact O-N 3.38Å; K336-A340 VanDerWaalsContact O-N 3.16Å; K336-Q373 PolarHBondContact NZ-O 3.04Å; K336-F374 HydrophobicContact CB-CB 4.15Å; K336-F374 HydrophobicContact CB-CD1 3.58Å; K336-F374 HydrophobicContact CB-CE1 4.15Å; K336-F374 HydrophobicContact CB-CG 3.93Å; K336-F374 HydrophobicContact CD-CB 3.8Å; K336-F374 HydrophobicContact CD-CD1 4.44Å; K336-F374 HydrophobicContact CD-CG 4.45Å
337	M	90.6	Very high	87.4	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-63.9	-45	176.1	-174.5	-174.2	75.5	0	0	111.9	V333 A334 K335 A340 V353 N356 L357 P369 F374 T376	V333-M337 WeakPolarHBondContact O-CB 3.34Å; V333-M337 PolarHBondContact O-N 2.85Å; A334-M337 PolarHBondContact O-N 2.97Å; K335-M337 VanDerWaalsContact C-N 3.29Å; K335-M337 PolarHBondContact O-N 2.83Å; M337-A340 PolarHBondContact O-N 3.2Å; M337-V353 HydrophobicContact CE-CB 4.48Å; M337-V353 HydrophobicContact CE-CG1 3.99Å; M337-N356 HydrophobicContact CE-CB 4.14Å; M337-L357 HydrophobicContact SD-CD2 3.68Å; M337-L357 HydrophobicContact SD-CG 4.24Å; M337-P369 HydrophobicContact CG-CG 4.26Å; M337-P369 HydrophobicContact SD-CG 4.17Å; M337-F374 HydrophobicContact CB-CE2 3.84Å; M337-F374 HydrophobicContact CB-CZ 3.98Å; M337-F374 HydrophobicContact CG-CE2 4.17Å; M337-F374 HydrophobicContact CG-CZ 4.3Å; M337-T376 HydrophobicContact SD-CG2 4.25Å
338	F	90.1	Very high	87.2	Confident	3 Å²	3	71.1 Å²	71.1	1%	0.013	36%	0.364	C	S	.	.	H	α-helix	trans	-74.9	-31.2	-179.3	-85.1	-72.6	0	0	0	113.3	Y163 A334 K335 A340 I341 N342 Y343 I348 D352 V353 N356	Y163-F338 HydrophobicContact CD2-CE1 4.17Å; A334-F338 WeakPolarHBondContact O-CB 3.13Å; A334-F338 VanDerWaalsContact O-CD2 3.28Å; A334-F338 WeakPolarHBondContact O-CD2 3.44Å; A334-F338 PolarHBondContact O-N 3.47Å; K335-F338 PolarHBondContact O-N 3.09Å; K335-F338 VanDerWaalsContact O-N 3.16Å; F338-A340 VanDerWaalsContact C-N 3.31Å; F338-A340 PolarHBondContact O-N 2.82Å; F338-I341 HydrophobicContact CD1-CD1 3.82Å; F338-I341 HydrophobicContact CD1-CG1 4.27Å; F338-I341 HydrophobicContact CE1-CD1 4.13Å; F338-I341 WeakPolarHBondContact O-CG1 3.47Å; F338-I341 PolarHBondContact O-N 3.49Å; F338-N342 PolarHBondContact O-N 3.27Å; F338-Y343 HydrophobicContact CB-CD1 4.09Å; F338-Y343 HydrophobicContact CB-CG 4.09Å; F338-Y343 AromaticContact CD1-CD1 3.63Å; F338-Y343 HydrophobicContact CD1-CD1 3.63Å; F338-Y343 AromaticContact CD1-CD2 3.41Å; F338-Y343 HydrophobicContact CD1-CD2 3.41Å; F338-Y343 VanDerWaalsContact CD1-CD2 3.41Å; F338-Y343 HydrophobicContact CD1-CE1 4.13Å; F338-Y343 AromaticContact CD1-CE2 3.96Å; F338-Y343 HydrophobicContact CD1-CE2 3.96Å; F338-Y343 AromaticContact CD1-CG 3.23Å; F338-Y343 HydrophobicContact CD1-CG 3.23Å; F338-Y343 HydrophobicContact CE1-CD1 4.25Å; F338-Y343 AromaticContact CE1-CD2 3.6Å; F338-Y343 HydrophobicContact CE1-CD2 3.6Å; F338-Y343 HydrophobicContact CE1-CE1 4.33Å; F338-Y343 AromaticContact CE1-CE2 3.71Å; F338-Y343 HydrophobicContact CE1-CE2 3.71Å; F338-Y343 AromaticContact CE1-CG 3.9Å; F338-Y343 HydrophobicContact CE1-CG 3.9Å; F338-Y343 AromaticContact CG-CD1 3.99Å; F338-Y343 HydrophobicContact CG-CD1 3.99Å; F338-Y343 AromaticContact CG-CG 3.97Å; F338-Y343 HydrophobicContact CG-CG 3.97Å; F338-Y343 VanDerWaalsContact O-CB 3.29Å; F338-Y343 WeakPolarHBondContact O-CB 3.44Å; F338-Y343 PolarHBondContact O-N 3.5Å; F338-I348 HydrophobicContact CB-CD1 4.33Å; F338-I348 HydrophobicContact CD2-CD1 3.97Å; F338-I348 HydrophobicContact CD2-CG1 4.16Å; F338-I348 HydrophobicContact CD2-CG2 3.85Å; F338-I348 HydrophobicContact CE2-CG2 3.66Å; F338-I348 HydrophobicContact CG-CD1 4.46Å; F338-I348 HydrophobicContact CZ-CG2 4.45Å; F338-D352 HydrophobicContact CE1-CB 4.44Å; F338-D352 HydrophobicContact CZ-CB 3.87Å; F338-D352 WeakPolarHBondContact CZ-O 3.47Å; F338-V353 HydrophobicContact CE2-CB 4.24Å; F338-V353 HydrophobicContact CE2-CG2 3.67Å; F338-N356 HydrophobicContact CZ-CB 4.37Å
339	D	87.7	Confident	87.1	Confident	113 Å²	113	62.2 Å²	62.2	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-61.1	-41.5	170.5	-70	-20.7	0	0	0	110.7	K335 I341 N342	K335-D339 WeakPolarHBondContact O-CB 3.34Å; K335-D339 PolarHBondContact O-N 2.88Å; D339-I341 PolarHBondContact O-N 3.02Å; D339-I341 VanDerWaalsContact O-N 3.12Å; D339-N342 PolarHBondContact O-N 3.31Å; D339-N342 VanDerWaalsContact O-N 3.16Å
340	A	85.6	Confident	87.2	Confident	67 Å²	67	52.8 Å²	52.8	55%	0.554	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.6	179.3	0	0	0	0	0	114.1	K336 M337 F338 F374	K336-A340 PolarHBondContact O-N 3.38Å; K336-A340 VanDerWaalsContact O-N 3.16Å; M337-A340 PolarHBondContact O-N 3.2Å; F338-A340 VanDerWaalsContact C-N 3.31Å; F338-A340 PolarHBondContact O-N 2.82Å; A340-F374 HydrophobicContact CB-CE1 4.44Å
341	I	84.4	Confident	87.2	Confident	42 Å²	42	54.5 Å²	54.5	22%	0.215	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	14.7	179.5	67.2	173.8	0	0	0	113.2	T164 F338 D339 Y343 N356	T164-I341 HydrophobicContact CG2-CD1 4.1Å; T164-I341 HydrophobicContact CG2-CG2 3.94Å; F338-I341 HydrophobicContact CD1-CD1 3.82Å; F338-I341 HydrophobicContact CD1-CG1 4.27Å; F338-I341 HydrophobicContact CE1-CD1 4.13Å; F338-I341 WeakPolarHBondContact O-CG1 3.47Å; F338-I341 PolarHBondContact O-N 3.49Å; D339-I341 PolarHBondContact O-N 3.02Å; D339-I341 VanDerWaalsContact O-N 3.12Å; I341-Y343 VanDerWaalsContact C-N 3.31Å; I341-Y343 PolarHBondContact O-N 2.92Å; I341-N356 WeakPolarHBondContact CD1-ND2 3.09Å
342	N	83.4	Confident	87.1	Confident	151 Å²	151	54.2 Å²	54.2	81%	0.807	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	46.2	-178.6	-67.5	-33.7	0	0	0	113.2	F338 D339 S344	F338-N342 PolarHBondContact O-N 3.27Å; D339-N342 PolarHBondContact O-N 3.31Å; D339-N342 VanDerWaalsContact O-N 3.16Å; N342-S344 PolarHBondContact O-N 3.03Å
343	Y	82.4	Confident	87.2	Confident	36 Å²	36	51 Å²	51	14%	0.141	29%	0.285	C	S	.	.			trans	-66.8	127.1	177.5	-170.9	-112	0	0	0	111.2	Y163 F338 I341 S345 I348 D352	Y163-Y343 AromaticContact CD1-CD2 3.88Å; Y163-Y343 HydrophobicContact CD1-CD2 3.88Å; Y163-Y343 AromaticContact CD1-CE2 3.6Å; Y163-Y343 HydrophobicContact CD1-CE2 3.6Å; Y163-Y343 HydrophobicContact CD2-CD2 4.5Å; Y163-Y343 HydrophobicContact CD2-CE2 4.07Å; Y163-Y343 HydrophobicContact CE1-CD2 4.25Å; Y163-Y343 AromaticContact CE1-CE2 3.51Å; Y163-Y343 HydrophobicContact CE1-CE2 3.51Å; Y163-Y343 AromaticContact CE2-CE2 3.97Å; Y163-Y343 HydrophobicContact CE2-CE2 3.97Å; Y163-Y343 HydrophobicContact CG-CD2 4.02Å; Y163-Y343 AromaticContact CG-CE2 3.88Å; Y163-Y343 HydrophobicContact CG-CE2 3.88Å; Y163-Y343 AromaticContact CZ-CE2 3.69Å; F338-Y343 HydrophobicContact CB-CD1 4.09Å; F338-Y343 HydrophobicContact CB-CG 4.09Å; F338-Y343 AromaticContact CD1-CD1 3.63Å; F338-Y343 HydrophobicContact CD1-CD1 3.63Å; F338-Y343 AromaticContact CD1-CD2 3.41Å; F338-Y343 HydrophobicContact CD1-CD2 3.41Å; F338-Y343 VanDerWaalsContact CD1-CD2 3.41Å; F338-Y343 HydrophobicContact CD1-CE1 4.13Å; F338-Y343 AromaticContact CD1-CE2 3.96Å; F338-Y343 HydrophobicContact CD1-CE2 3.96Å; F338-Y343 AromaticContact CD1-CG 3.23Å; F338-Y343 HydrophobicContact CD1-CG 3.23Å; F338-Y343 HydrophobicContact CE1-CD1 4.25Å; F338-Y343 AromaticContact CE1-CD2 3.6Å; F338-Y343 HydrophobicContact CE1-CD2 3.6Å; F338-Y343 HydrophobicContact CE1-CE1 4.33Å; F338-Y343 AromaticContact CE1-CE2 3.71Å; F338-Y343 HydrophobicContact CE1-CE2 3.71Å; F338-Y343 AromaticContact CE1-CG 3.9Å; F338-Y343 HydrophobicContact CE1-CG 3.9Å; F338-Y343 AromaticContact CG-CD1 3.99Å; F338-Y343 HydrophobicContact CG-CD1 3.99Å; F338-Y343 AromaticContact CG-CG 3.97Å; F338-Y343 HydrophobicContact CG-CG 3.97Å; F338-Y343 VanDerWaalsContact O-CB 3.29Å; F338-Y343 WeakPolarHBondContact O-CB 3.44Å; F338-Y343 PolarHBondContact O-N 3.5Å; I341-Y343 VanDerWaalsContact C-N 3.31Å; I341-Y343 PolarHBondContact O-N 2.92Å; Y343-S345 VanDerWaalsContact CE1-CB 3.45Å; Y343-I348 HydrophobicContact CE1-CG1 4.48Å; Y343-D352 PolarHBondContact OH-OD2 3.35Å
344	S	74.2	Confident	87.2	Confident	122 Å²	122	50 Å²	50	85%	0.853	28%	0.279	S	S	*	.			trans	-84.4	-16	-169.6	55.3	0	0	0	0	114.6	N342	N342-S344 PolarHBondContact O-N 3.03Å
345	S	74.7	Confident	87.2	Confident	43 Å²	43	50.5 Å²	50.5	30%	0.301	28%	0.282	S	S	.	.			trans	-84.6	129.9	-178.4	178.8	0	0	0	0	111.1	Y343 H347	Y343-S345 VanDerWaalsContact CE1-CB 3.45Å; S345-H347 PolarHBondContact O-N 3.39Å; S345-H347 PolarHBondContact OG-N 2.94Å; S345-H347 PolarHBondContact OG-O 3.16Å
346	V	72.9	Confident	87.2	Confident	127 Å²	127	46.6 Å²	46.6	77%	0.77	27%	0.265	S	S	*	.	S	Bend	trans	-64.2	-28.1	174.6	-177.4	0	0	0	0	111.3
347	H	82.1	Confident	87.3	Confident	91 Å²	91	42.6 Å²	42.6	42%	0.421	25%	0.248	S	C	.	.	S	Bend	trans	-113.1	123.5	-179.6	-56.8	-60.1	0	0	0	110.4	Q319 S345	Q319-H347 HydrophobicContact CB-CB 3.97Å; Q319-H347 HydrophobicContact CG-CB 4.32Å; Q319-H347 PolarHBondContact NE2-O 2.91Å; S345-H347 PolarHBondContact O-N 3.39Å; S345-H347 PolarHBondContact OG-N 2.94Å; S345-H347 PolarHBondContact OG-O 3.16Å
348	I	89.8	Confident	87.5	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.087	25%	0.249	C	C	.	.			trans	-85.8	131	179.7	-61.2	169.3	0	0	0	108.1	F322 A334 K335 F338 Y343 V353	F322-I348 VanDerWaalsContact CD1-O 3.31Å; F322-I348 WeakPolarHBondContact CD1-O 3.37Å; F322-I348 HydrophobicContact CE1-CB 4.35Å; F322-I348 HydrophobicContact CE1-CG2 4.06Å; A334-I348 HydrophobicContact CB-CD1 3.95Å; A334-I348 HydrophobicContact CB-CG2 4.4Å; K335-I348 HydrophobicContact CB-CD1 4.42Å; K335-I348 HydrophobicContact CG-CD1 3.8Å; F338-I348 HydrophobicContact CB-CD1 4.33Å; F338-I348 HydrophobicContact CD2-CD1 3.97Å; F338-I348 HydrophobicContact CD2-CG1 4.16Å; F338-I348 HydrophobicContact CD2-CG2 3.85Å; F338-I348 HydrophobicContact CE2-CG2 3.66Å; F338-I348 HydrophobicContact CG-CD1 4.46Å; F338-I348 HydrophobicContact CZ-CG2 4.45Å; Y343-I348 HydrophobicContact CE1-CG1 4.48Å; I348-V353 HydrophobicContact CG2-CG2 3.51Å
349	D	91.1	Very high	87.6	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.043	25%	0.251	C	S	.	.			trans	-89.2	135.7	169.4	-168	-59.8	0	0	0	109.3	K315 Q319 L351 D352 V353	K315-D349 WeakPolarHBondContact CG-OD2 3.19Å; Q319-D349 HydrophobicContact CG-CB 3.8Å; D349-L351 PolarHBondContact O-N 3.45Å; D349-L351 VanDerWaalsContact OD1-CB 3.29Å; D349-L351 WeakPolarHBondContact OD1-CB 3.47Å; D349-L351 PolarHBondContact OD1-N 3.13Å; D349-D352 HydrophobicContact CB-CB 4.13Å; D349-D352 WeakPolarHBondContact CB-OD2 3.39Å; D349-D352 WeakPolarHBondContact O-CB 3.35Å; D349-D352 PolarHBondContact O-N 3.45Å; D349-V353 PolarHBondContact O-N 2.98Å
350	P	93.7	Very high	87.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-33.2	175.9	23.7	-34.2	0	0	0	113	F322 D352 V353 I354 V384 Y387 F388	F322-P350 HydrophobicContact CB-CG 4.35Å; F322-P350 HydrophobicContact CD2-CB 3.96Å; F322-P350 HydrophobicContact CD2-CG 4.24Å; F322-P350 HydrophobicContact CE2-CB 4.04Å; F322-P350 HydrophobicContact CG-CB 4.31Å; F322-P350 HydrophobicContact CG-CG 4.28Å; F322-P350 HydrophobicContact CZ-CB 4.47Å; P350-D352 VanDerWaalsContact C-N 3.31Å; P350-D352 PolarHBondContact O-N 2.84Å; P350-V353 WeakPolarHBondContact O-CB 3.26Å; P350-V353 PolarHBondContact O-N 3.19Å; P350-I354 VanDerWaalsContact O-CG1 3.31Å; P350-I354 WeakPolarHBondContact O-CG1 3.5Å; P350-I354 PolarHBondContact O-N 3.2Å; P350-V384 HydrophobicContact CB-CG1 4.14Å; P350-Y387 HydrophobicContact CB-CD1 4.33Å; P350-Y387 HydrophobicContact CG-CE1 4.39Å; P350-F388 HydrophobicContact CB-CB 4.29Å; P350-F388 HydrophobicContact CG-CD2 4.17Å
351	L	92.1	Very high	88	Confident	52 Å²	52	36.9 Å²	36.9	27%	0.272	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-33.1	173.1	-76.5	174.4	0	0	0	112.5	D349 V353 I354 D355 F388 W455	D349-L351 PolarHBondContact O-N 3.45Å; D349-L351 VanDerWaalsContact OD1-CB 3.29Å; D349-L351 WeakPolarHBondContact OD1-CB 3.47Å; D349-L351 PolarHBondContact OD1-N 3.13Å; L351-V353 VanDerWaalsContact C-N 3.31Å; L351-I354 HydrophobicContact CD2-CD1 4.44Å; L351-I354 PolarHBondContact O-N 2.69Å; L351-D355 WeakPolarHBondContact O-CB 3.41Å; L351-D355 PolarHBondContact O-N 3.12Å; L351-F388 HydrophobicContact CD1-CD2 4.47Å; L351-F388 HydrophobicContact CD1-CE2 3.6Å; L351-F388 HydrophobicContact CD1-CZ 3.72Å; L351-F388 HydrophobicContact CD2-CD1 3.96Å; L351-F388 HydrophobicContact CD2-CD2 4.05Å; L351-F388 HydrophobicContact CD2-CE1 3.57Å; L351-F388 HydrophobicContact CD2-CE2 3.69Å; L351-F388 HydrophobicContact CD2-CG 4.18Å; L351-F388 HydrophobicContact CD2-CZ 3.44Å; L351-F388 VanDerWaalsContact CD2-CZ 3.44Å; L351-F388 HydrophobicContact CG-CD2 3.81Å; L351-F388 HydrophobicContact CG-CE1 4.26Å; L351-F388 HydrophobicContact CG-CE2 3.4Å; L351-F388 VanDerWaalsContact CG-CE2 3.4Å; L351-F388 HydrophobicContact CG-CG 4.41Å; L351-F388 HydrophobicContact CG-CZ 3.67Å; L351-W455 HydrophobicContact CD2-CG 4.5Å
352	D	92.2	Very high	88.5	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-37.6	175.7	-69.4	-31.9	0	0	0	110	Y163 K315 F338 Y343 D349 P350 N356	Y163-D352 HydrophobicContact CE2-CB 3.76Å; Y163-D352 WeakPolarHBondContact CE2-OD1 3.23Å; Y163-D352 PolarHBondContact OH-OD1 2.94Å; Y163-D352 PolarHBondContact OH-OD2 3.08Å; K315-D352 IonicContact NZ-OD1 2.73Å; K315-D352 PolarHBondContact NZ-OD1 3.07Å; K315-D352 IonicContact NZ-OD2 2.76Å; K315-D352 PolarHBondContact NZ-OD2 3.15Å; F338-D352 HydrophobicContact CE1-CB 4.44Å; F338-D352 HydrophobicContact CZ-CB 3.87Å; F338-D352 WeakPolarHBondContact CZ-O 3.47Å; Y343-D352 PolarHBondContact OH-OD2 3.35Å; D349-D352 HydrophobicContact CB-CB 4.13Å; D349-D352 WeakPolarHBondContact CB-OD2 3.39Å; D349-D352 WeakPolarHBondContact O-CB 3.35Å; D349-D352 PolarHBondContact O-N 3.45Å; P350-D352 VanDerWaalsContact C-N 3.31Å; P350-D352 PolarHBondContact O-N 2.84Å; D352-N356 VanDerWaalsContact O-CB 3.27Å; D352-N356 WeakPolarHBondContact O-CB 3.46Å; D352-N356 PolarHBondContact O-N 2.83Å
353	V	93.9	Very high	89	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-51.7	174.4	-178.8	0	0	0	0	110.2	F322 A334 M337 F338 I348 D349 P350 L351 N356 L357 Y380 V384	F322-V353 HydrophobicContact CE1-CG2 4.49Å; F322-V353 HydrophobicContact CZ-CG2 4.48Å; A334-V353 HydrophobicContact CB-CG2 4.08Å; M337-V353 HydrophobicContact CE-CB 4.48Å; M337-V353 HydrophobicContact CE-CG1 3.99Å; F338-V353 HydrophobicContact CE2-CB 4.24Å; F338-V353 HydrophobicContact CE2-CG2 3.67Å; I348-V353 HydrophobicContact CG2-CG2 3.51Å; D349-V353 PolarHBondContact O-N 2.98Å; P350-V353 WeakPolarHBondContact O-CB 3.26Å; P350-V353 PolarHBondContact O-N 3.19Å; L351-V353 VanDerWaalsContact C-N 3.31Å; V353-N356 PolarHBondContact O-N 3.01Å; V353-L357 HydrophobicContact CG1-CD1 4.11Å; V353-L357 WeakPolarHBondContact O-CG 3.4Å; V353-L357 PolarHBondContact O-N 2.8Å; V353-L357 VanDerWaalsContact O-N 3.09Å; V353-Y380 HydrophobicContact CG1-CE1 3.93Å; V353-V384 HydrophobicContact CB-CG1 4.05Å; V353-V384 HydrophobicContact CG1-CG1 4.06Å; V353-V384 HydrophobicContact CG1-CG2 4.11Å
354	I	94.2	Very high	89.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-50.5	-180	-69.2	164.3	0	0	0	110.2	P350 L351 N356 L357 V358 F381 V384 L385 F388 W455	P350-I354 VanDerWaalsContact O-CG1 3.31Å; P350-I354 WeakPolarHBondContact O-CG1 3.5Å; P350-I354 PolarHBondContact O-N 3.2Å; L351-I354 HydrophobicContact CD2-CD1 4.44Å; L351-I354 PolarHBondContact O-N 2.69Å; I354-N356 VanDerWaalsContact C-N 3.31Å; I354-N356 PolarHBondContact O-N 3.33Å; I354-L357 PolarHBondContact O-N 2.79Å; I354-V358 HydrophobicContact CG2-CG2 4.44Å; I354-V358 WeakPolarHBondContact O-CB 3.3Å; I354-V358 WeakPolarHBondContact O-CG2 3.38Å; I354-V358 PolarHBondContact O-N 3.48Å; I354-F381 HydrophobicContact CG2-CE2 4.1Å; I354-V384 HydrophobicContact CD1-CG1 4.18Å; I354-V384 HydrophobicContact CG1-CG1 3.85Å; I354-L385 HydrophobicContact CD1-CB 4.4Å; I354-L385 HydrophobicContact CD1-CD1 4.03Å; I354-F388 HydrophobicContact CD1-CB 3.9Å; I354-F388 HydrophobicContact CD1-CD1 4.27Å; I354-F388 HydrophobicContact CD1-CG 4.17Å; I354-W455 HydrophobicContact CG2-CD2 3.57Å; I354-W455 HydrophobicContact CG2-CE3 3.96Å; I354-W455 HydrophobicContact CG2-CG 4.12Å; I354-W455 HydrophobicContact CG2-CH2 3.91Å; I354-W455 HydrophobicContact CG2-CZ2 3.51Å; I354-W455 HydrophobicContact CG2-CZ3 4.12Å
355	D	93.2	Very high	90.2	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.053	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-45	178.6	-176.9	71.1	0	0	0	112.1	R159 L162 L351 V358 A359	R159-D355 IonicContact CZ-OD1 4Å; R159-D355 IonicContact NH1-OD1 2.87Å; R159-D355 PolarHBondContact NH1-OD1 3.12Å; R159-D355 IonicContact NH1-OD2 2.88Å; R159-D355 PolarHBondContact NH1-OD2 3.28Å; R159-D355 IonicContact NH2-OD1 3.73Å; R159-D355 PolarHBondContact NH2-OD1 2.78Å; R159-D355 IonicContact NH2-OD2 3.9Å; L162-D355 VanDerWaalsContact CG-OD2 3.29Å; L162-D355 WeakPolarHBondContact CG-OD2 3.45Å; L162-D355 PolarHBondContact N-OD2 3.13Å; L351-D355 WeakPolarHBondContact O-CB 3.41Å; L351-D355 PolarHBondContact O-N 3.12Å; D355-V358 PolarHBondContact O-N 3.04Å; D355-A359 WeakPolarHBondContact O-CB 3.32Å; D355-A359 PolarHBondContact O-N 2.8Å
356	N	91.6	Very high	90.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-63.1	-49.1	-178.5	-167.7	-77.1	0	0	0	111.9	T164 M337 F338 I341 D352 V353 I354 V358 G360 Y361	T164-N356 WeakPolarHBondContact CG2-ND2 3.47Å; M337-N356 HydrophobicContact CE-CB 4.14Å; F338-N356 HydrophobicContact CZ-CB 4.37Å; I341-N356 WeakPolarHBondContact CD1-ND2 3.09Å; D352-N356 VanDerWaalsContact O-CB 3.27Å; D352-N356 WeakPolarHBondContact O-CB 3.46Å; D352-N356 PolarHBondContact O-N 2.83Å; V353-N356 PolarHBondContact O-N 3.01Å; I354-N356 VanDerWaalsContact C-N 3.31Å; I354-N356 PolarHBondContact O-N 3.33Å; N356-V358 VanDerWaalsContact C-N 3.28Å; N356-V358 PolarHBondContact O-N 3.43Å; N356-G360 WeakPolarHBondContact O-CA 3.46Å; N356-G360 PolarHBondContact O-N 3.13Å; N356-Y361 WeakPolarHBondContact O-CD2 3.22Å; N356-Y361 WeakPolarHBondContact OD1-CE2 3.27Å
357	L	94	Very high	91.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	14%	0.138	C	C	.	.	I	π-helix	trans	-60.5	-40.7	178.6	-66.6	172.7	0	0	0	111.3	M337 V353 I354 Y361 V362 L368 P369 T376 Y380 F381	M337-L357 HydrophobicContact SD-CD2 3.68Å; M337-L357 HydrophobicContact SD-CG 4.24Å; V353-L357 HydrophobicContact CG1-CD1 4.11Å; V353-L357 WeakPolarHBondContact O-CG 3.4Å; V353-L357 PolarHBondContact O-N 2.8Å; V353-L357 VanDerWaalsContact O-N 3.09Å; I354-L357 PolarHBondContact O-N 2.79Å; L357-Y361 WeakPolarHBondContact O-CB 3.34Å; L357-Y361 PolarHBondContact O-N 3.08Å; L357-V362 WeakPolarHBondContact O-CG2 3.39Å; L357-V362 PolarHBondContact O-N 3.44Å; L357-L368 HydrophobicContact CD2-CD2 4.21Å; L357-P369 HydrophobicContact CD2-CG 4.19Å; L357-T376 HydrophobicContact CD2-CG2 4.09Å; L357-Y380 HydrophobicContact CD1-CD1 3.94Å; L357-Y380 HydrophobicContact CD1-CE1 3.93Å; L357-F381 HydrophobicContact CD1-CB 4.05Å; L357-F381 HydrophobicContact CD1-CD2 4.3Å
358	V	94.2	Very high	92.3	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.024	13%	0.125	C	C	.	.	I	π-helix	trans	-83.9	-62.5	-171.9	177.6	0	0	0	0	111.2	V121 I354 D355 N356 V362 C363 F381 W455	V121-V358 HydrophobicContact CG2-CG1 4.47Å; V121-V358 HydrophobicContact CG2-CG2 3.65Å; I354-V358 HydrophobicContact CG2-CG2 4.44Å; I354-V358 WeakPolarHBondContact O-CB 3.3Å; I354-V358 WeakPolarHBondContact O-CG2 3.38Å; I354-V358 PolarHBondContact O-N 3.48Å; D355-V358 PolarHBondContact O-N 3.04Å; N356-V358 VanDerWaalsContact C-N 3.28Å; N356-V358 PolarHBondContact O-N 3.43Å; V358-V362 PolarHBondContact O-N 2.86Å; V358-C363 WeakPolarHBondContact CG1-SG 3.2Å; V358-C363 PolarHBondContact O-N 3.27Å; V358-F381 HydrophobicContact CG2-CD2 4.14Å; V358-F381 HydrophobicContact CG2-CE2 3.55Å; V358-F381 HydrophobicContact CG2-CZ 4.33Å; V358-W455 HydrophobicContact CB-CH2 3.91Å; V358-W455 HydrophobicContact CB-CZ2 3.88Å; V358-W455 HydrophobicContact CG1-CH2 3.71Å; V358-W455 HydrophobicContact CG1-CZ2 3.8Å; V358-W455 HydrophobicContact CG2-CH2 3.27Å; V358-W455 HydrophobicContact CG2-CZ2 3.61Å; V358-W455 HydrophobicContact CG2-CZ3 4.33Å
359	A	92.2	Very high	92.4	Very high	7 Å²	7	26.5 Å²	26.5	6%	0.058	13%	0.125	C	C	.	.	I	π-helix	trans	-76.8	-24.7	-175.7	0	0	0	0	0	112.7	G161 D355 Q364	G161-A359 PolarHBondContact N-O 3.32Å; D355-A359 WeakPolarHBondContact O-CB 3.32Å; D355-A359 PolarHBondContact O-N 2.8Å; A359-Q364 WeakPolarHBondContact O-CG 3.41Å
360	G	89.5	Confident	92.5	Very high	5 Å²	5	30 Å²	30	5%	0.052	15%	0.149	C	C	.	.	I	π-helix	trans	-83.4	-34.6	177.1	0	0	0	0	0	113.6	N356	N356-G360 WeakPolarHBondContact O-CA 3.46Å; N356-G360 PolarHBondContact O-N 3.13Å
361	Y	92.1	Very high	92.3	Very high	49 Å²	49	33.4 Å²	33.4	19%	0.192	17%	0.167	C	C	.	.	I	π-helix	trans	-123.4	-69.7	-172.5	-63.4	-90.9	0	0	0	113.4	T164 N356 L357 C363 Q364 R365 K366 E367 P369	T164-Y361 HydrophobicContact CG2-CE2 4.36Å; N356-Y361 WeakPolarHBondContact O-CD2 3.22Å; N356-Y361 WeakPolarHBondContact OD1-CE2 3.27Å; L357-Y361 WeakPolarHBondContact O-CB 3.34Å; L357-Y361 PolarHBondContact O-N 3.08Å; Y361-C363 PolarHBondContact O-N 2.78Å; Y361-Q364 CarbonylContact O-C 3.57Å; Y361-Q364 WeakPolarHBondContact O-CA 3.29Å; Y361-Q364 WeakPolarHBondContact O-CB 3.43Å; Y361-Q364 PolarHBondContact O-N 3.34Å; Y361-R365 PolarHBondContact O-N 3.29Å; Y361-R365 VanDerWaalsContact O-N 3.17Å; Y361-K366 HydrophobicContact CD1-CB 4.04Å; Y361-K366 PolarHBondContact O-N 3.45Å; Y361-E367 WeakPolarHBondContact CD1-O 3.03Å; Y361-P369 HydrophobicContact CD2-CG 4.12Å; Y361-P369 HydrophobicContact CE1-CB 4.11Å; Y361-P369 HydrophobicContact CE1-CG 4.19Å; Y361-P369 HydrophobicContact CE2-CB 4.29Å; Y361-P369 HydrophobicContact CE2-CG 3.69Å
362	V	94.2	Very high	92.1	Very high	14 Å²	14	39.5 Å²	39.5	9%	0.085	20%	0.2	C	C	.	.	I	π-helix	trans	-62.4	-53.7	-166.2	-175.6	0	0	0	0	112.1	V121 F127 L357 V358 Q364 R365 L368 F378	V121-V362 HydrophobicContact CG1-CB 4.32Å; V121-V362 HydrophobicContact CG1-CG1 3.65Å; V121-V362 HydrophobicContact CG1-CG2 4.19Å; F127-V362 WeakPolarHBondContact CZ-O 3.48Å; L357-V362 WeakPolarHBondContact O-CG2 3.39Å; L357-V362 PolarHBondContact O-N 3.44Å; V358-V362 PolarHBondContact O-N 2.86Å; V362-Q364 PolarHBondContact O-N 3.1Å; V362-Q364 VanDerWaalsContact O-N 3.15Å; V362-R365 WeakPolarHBondContact O-CA 3.35Å; V362-R365 PolarHBondContact O-N 2.79Å; V362-L368 HydrophobicContact CG2-CD2 3.57Å; V362-L368 HydrophobicContact CG2-CG 4.34Å; V362-F378 HydrophobicContact CG2-CE1 4.06Å
363	C	93.7	Very high	91.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.2	179.9	-57	0	0	0	0	112.8	C125 D158 R221 V358 Y361 R365	C125-C363 WeakPolarHBondContact CA-SG 3.19Å; C125-C363 HydrophobicContact CB-CB 3.82Å; C125-C363 WeakPolarHBondContact CB-SG 3.34Å; C125-C363 WeakPolarHBondContact SG-CA 3.44Å; C125-C363 WeakPolarHBondContact SG-CB 3.36Å; C125-C363 PolarHBondContact SG-N 2.88Å; C125-C363 CovalentContact SG-SG 2.05Å; C125-C363 PolarHBondContact SG-SG 3.45Å; D158-C363 WeakPolarHBondContact OD1-CB 3.34Å; R221-C363 WeakPolarHBondContact CD-O 3.14Å; V358-C363 WeakPolarHBondContact CG1-SG 3.2Å; V358-C363 PolarHBondContact O-N 3.27Å; Y361-C363 PolarHBondContact O-N 2.78Å; C363-R365 VanDerWaalsContact C-N 3.28Å
364	Q	91	Very high	91.6	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	7.1	170.2	-56.4	-56.1	-46.9	0	0	112.6	D158 S169 A359 Y361 V362 K366	D158-Q364 PolarHBondContact OD1-NE2 3.11Å; D158-Q364 PolarHBondContact OD2-NE2 3.27Å; S169-Q364 WeakPolarHBondContact CB-O 3.48Å; S169-Q364 PolarHBondContact OG-O 3.41Å; A359-Q364 WeakPolarHBondContact O-CG 3.41Å; Y361-Q364 CarbonylContact O-C 3.57Å; Y361-Q364 WeakPolarHBondContact O-CA 3.29Å; Y361-Q364 WeakPolarHBondContact O-CB 3.43Å; Y361-Q364 PolarHBondContact O-N 3.34Å; V362-Q364 PolarHBondContact O-N 3.1Å; V362-Q364 VanDerWaalsContact O-N 3.15Å; Q364-K366 HydrophobicContact CB-CD 4.03Å; Q364-K366 HydrophobicContact CB-CG 4.11Å; Q364-K366 PolarHBondContact O-N 2.99Å
365	R	91.6	Very high	91.4	Very high	97 Å²	97	50 Å²	50	37%	0.366	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	37	-175.9	-57.6	-176.9	-179.5	-94.5	3.9	113	F127 E129 E175 Y361 V362 C363	F127-R365 HydrophobicContact CE1-CG 3.75Å; F127-R365 HydrophobicContact CZ-CG 4.08Å; E129-R365 IonicContact OE1-CZ 3.77Å; E129-R365 VanDerWaalsContact OE1-CZ 3.23Å; E129-R365 IonicContact OE1-NH1 3.08Å; E129-R365 PolarHBondContact OE1-NH1 3.22Å; E129-R365 IonicContact OE1-NH2 2.89Å; E129-R365 PolarHBondContact OE1-NH2 3.41Å; E129-R365 IonicContact OE2-CZ 2.71Å; E129-R365 IonicContact OE2-NH2 3.79Å; E129-R365 PolarHBondContact OE2-NH2 3.46Å; E175-R365 IonicContact OE1-CZ 3.28Å; E175-R365 IonicContact OE1-NE 2.86Å; E175-R365 PolarHBondContact OE1-NE 3.08Å; E175-R365 IonicContact OE1-NH2 2.73Å; E175-R365 PolarHBondContact OE1-NH2 2.71Å; E175-R365 IonicContact OE2-NE 3.71Å; Y361-R365 PolarHBondContact O-N 3.29Å; Y361-R365 VanDerWaalsContact O-N 3.17Å; V362-R365 WeakPolarHBondContact O-CA 3.35Å; V362-R365 PolarHBondContact O-N 2.79Å; C363-R365 VanDerWaalsContact C-N 3.28Å
366	K	90.4	Very high	91.4	Very high	74 Å²	74	49.9 Å²	49.9	32%	0.322	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-103.7	148.2	174.9	-59.9	172.4	-179.1	172.5	0	109.5	K167 Y361 Q364	K167-K366 PolarHBondContact O-NZ 2.88Å; Y361-K366 HydrophobicContact CD1-CB 4.04Å; Y361-K366 PolarHBondContact O-N 3.45Å; Q364-K366 HydrophobicContact CB-CD 4.03Å; Q364-K366 HydrophobicContact CB-CG 4.11Å; Q364-K366 PolarHBondContact O-N 2.99Å
367	E	90.9	Very high	91.5	Very high	180 Å²	180	52.1 Å²	52.1	84%	0.841	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-59.1	139.9	172.3	-64.4	-179.4	173.3	0	0	110.6	Y361	Y361-E367 WeakPolarHBondContact CD1-O 3.03Å
368	L	92.7	Very high	91.6	Very high	28 Å²	28	53.8 Å²	53.8	15%	0.147	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-58	141.6	175.1	-73.8	177.7	0	0	0	110.2	L357 V362 C370 F378	L357-L368 HydrophobicContact CD2-CD2 4.21Å; V362-L368 HydrophobicContact CG2-CD2 3.57Å; V362-L368 HydrophobicContact CG2-CG 4.34Å; L368-C370 PolarHBondContact O-N 3.16Å; L368-C370 VanDerWaalsContact O-N 3.11Å; L368-F378 HydrophobicContact CD1-CD1 4.03Å; L368-F378 HydrophobicContact CD1-CD2 4.49Å; L368-F378 HydrophobicContact CD1-CE1 3.96Å; L368-F378 HydrophobicContact CD1-CE2 4.44Å; L368-F378 HydrophobicContact CD1-CG 4.29Å; L368-F378 HydrophobicContact CD1-CZ 4.19Å
369	P	91.5	Very high	91.6	Very high	12 Å²	12	54.9 Å²	54.9	8%	0.078	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-59.3	121.7	-174.9	17.5	-26.7	0	0	0	111.3	M337 L357 Y361 F374 T376	M337-P369 HydrophobicContact CG-CG 4.26Å; M337-P369 HydrophobicContact SD-CG 4.17Å; L357-P369 HydrophobicContact CD2-CG 4.19Å; Y361-P369 HydrophobicContact CD2-CG 4.12Å; Y361-P369 HydrophobicContact CE1-CB 4.11Å; Y361-P369 HydrophobicContact CE1-CG 4.19Å; Y361-P369 HydrophobicContact CE2-CB 4.29Å; Y361-P369 HydrophobicContact CE2-CG 3.69Å; P369-F374 HydrophobicContact CB-CE2 4.01Å; P369-F374 HydrophobicContact CB-CZ 4.19Å; P369-F374 HydrophobicContact CG-CE2 4.48Å; P369-T376 VanDerWaalsContact CD-OG1 3.22Å; P369-T376 WeakPolarHBondContact CD-OG1 3.35Å; P369-T376 HydrophobicContact CG-CG2 4.19Å; P369-T376 WeakPolarHBondContact CG-OG1 3.4Å; P369-T376 PolarHBondContact O-N 3.45Å; P369-T376 PolarHBondContact O-OG1 2.65Å
370	C	92.5	Very high	91.7	Very high	81 Å²	81	55.3 Å²	55.3	55%	0.547	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-146.6	130.4	-178.2	-166.4	0	0	0	0	109.7	L368 F374 C375	L368-C370 PolarHBondContact O-N 3.16Å; L368-C370 VanDerWaalsContact O-N 3.11Å; C370-F374 WeakPolarHBondContact CA-O 3.15Å; C370-C375 HydrophobicContact CB-CB 4.05Å; C370-C375 WeakPolarHBondContact CB-SG 3.48Å; C370-C375 WeakPolarHBondContact SG-CB 3.22Å; C370-C375 CovalentContact SG-SG 2.05Å; C370-C375 PolarHBondContact SG-SG 3.18Å
371	N	89.6	Confident	92	Very high	73 Å²	73	55.2 Å²	55.2	39%	0.39	28%	0.282	S	S	.	.			trans	-152.1	-176.1	174.4	65.8	32.3	0	0	0	110	Q373 F374	N371-Q373 PolarHBondContact O-N 2.81Å; N371-Q373 VanDerWaalsContact O-N 3.09Å; N371-Q373 WeakPolarHBondContact OD1-CA 3.31Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.16Å; N371-Q373 PolarHBondContact OD1-N 3.32Å; N371-F374 PolarHBondContact N-O 3.07Å; N371-F374 WeakPolarHBondContact ND2-CE1 3.09Å; N371-F374 CarbonylContact O-C 3.35Å; N371-F374 PolarHBondContact O-N 3.31Å; N371-F374 WeakPolarHBondContact OD1-CD1 3.49Å; N371-F374 PolarHBondContact OD1-N 2.94Å; N371-F374 PolarHBondContact OD1-O 3.46Å
372	D	88.7	Confident	92.1	Very high	179 Å²	179	52.9 Å²	52.9	96%	0.957	27%	0.273	S	S	*	.	S	Bend	trans	-61.5	-19.4	-178.4	-59.9	-22.4	0	0	0	114.2
373	Q	85.7	Confident	92.1	Very high	141 Å²	141	54.6 Å²	54.6	66%	0.659	28%	0.281	S	S	*	.	S	Bend	trans	-96	-32.3	-176.8	-59	-176.1	-6	0	0	113.6	K336 N371	K336-Q373 PolarHBondContact NZ-O 3.04Å; N371-Q373 PolarHBondContact O-N 2.81Å; N371-Q373 VanDerWaalsContact O-N 3.09Å; N371-Q373 WeakPolarHBondContact OD1-CA 3.31Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.16Å; N371-Q373 PolarHBondContact OD1-N 3.32Å
374	F	89.7	Confident	92.2	Very high	16 Å²	16	54.5 Å²	54.5	7%	0.07	28%	0.281	C	S	.	.			trans	-157	153.3	177.8	74.7	-82.8	0	0	0	111.3	V333 K336 M337 A340 P369 C370 N371 T376	V333-F374 HydrophobicContact CG1-CD2 4.31Å; K336-F374 HydrophobicContact CB-CB 4.15Å; K336-F374 HydrophobicContact CB-CD1 3.58Å; K336-F374 HydrophobicContact CB-CE1 4.15Å; K336-F374 HydrophobicContact CB-CG 3.93Å; K336-F374 HydrophobicContact CD-CB 3.8Å; K336-F374 HydrophobicContact CD-CD1 4.44Å; K336-F374 HydrophobicContact CD-CG 4.45Å; M337-F374 HydrophobicContact CB-CE2 3.84Å; M337-F374 HydrophobicContact CB-CZ 3.98Å; M337-F374 HydrophobicContact CG-CE2 4.17Å; M337-F374 HydrophobicContact CG-CZ 4.3Å; A340-F374 HydrophobicContact CB-CE1 4.44Å; P369-F374 HydrophobicContact CB-CE2 4.01Å; P369-F374 HydrophobicContact CB-CZ 4.19Å; P369-F374 HydrophobicContact CG-CE2 4.48Å; C370-F374 WeakPolarHBondContact CA-O 3.15Å; N371-F374 PolarHBondContact N-O 3.07Å; N371-F374 WeakPolarHBondContact ND2-CE1 3.09Å; N371-F374 CarbonylContact O-C 3.35Å; N371-F374 PolarHBondContact O-N 3.31Å; N371-F374 WeakPolarHBondContact OD1-CD1 3.49Å; N371-F374 PolarHBondContact OD1-N 2.94Å; N371-F374 PolarHBondContact OD1-O 3.46Å; F374-T376 HydrophobicContact CD2-CG2 4.05Å; F374-T376 HydrophobicContact CE2-CG2 3.98Å
375	C	91.2	Very high	92.3	Very high	74 Å²	74	54.6 Å²	54.6	50%	0.5	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-132.3	130.9	169.2	-159.3	0	0	0	0	108.8	C370	C370-C375 HydrophobicContact CB-CB 4.05Å; C370-C375 WeakPolarHBondContact CB-SG 3.48Å; C370-C375 WeakPolarHBondContact SG-CB 3.22Å; C370-C375 CovalentContact SG-SG 2.05Å; C370-C375 PolarHBondContact SG-SG 3.18Å
376	T	93.5	Very high	92.4	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.037	28%	0.279	C	S	.	.			trans	-92	156.6	170.5	58.8	0	0	0	0	109.8	V333 M337 L357 P369 F374 Y380	V333-T376 HydrophobicContact CG1-CG2 3.8Å; M337-T376 HydrophobicContact SD-CG2 4.25Å; L357-T376 HydrophobicContact CD2-CG2 4.09Å; P369-T376 VanDerWaalsContact CD-OG1 3.22Å; P369-T376 WeakPolarHBondContact CD-OG1 3.35Å; P369-T376 HydrophobicContact CG-CG2 4.19Å; P369-T376 WeakPolarHBondContact CG-OG1 3.4Å; P369-T376 PolarHBondContact O-N 3.45Å; P369-T376 PolarHBondContact O-OG1 2.65Å; F374-T376 HydrophobicContact CD2-CG2 4.05Å; F374-T376 HydrophobicContact CE2-CG2 3.98Å; T376-Y380 HydrophobicContact CG2-CD1 3.96Å; T376-Y380 HydrophobicContact CG2-CE1 4.07Å
377	S	93.7	Very high	92.6	Very high	48 Å²	48	51.2 Å²	51.2	34%	0.336	27%	0.27	S	S	.	.			trans	-147.2	168.8	-180	64.5	0	0	0	0	110.2	M379 Y380 F381	S377-M379 PolarHBondContact O-N 2.93Å; S377-M379 WeakPolarHBondContact OG-CB 3.45Å; S377-Y380 WeakPolarHBondContact O-CB 3.44Å; S377-Y380 PolarHBondContact O-N 3.21Å; S377-Y380 VanDerWaalsContact O-N 3.08Å; S377-Y380 PolarHBondContact OG-N 3.39Å; S377-F381 PolarHBondContact O-N 3.24Å
378	F	95.6	Very high	92.7	Very high	37 Å²	37	43.3 Å²	43.3	16%	0.162	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-30.9	173.1	-61.2	-65.6	0	0	0	112	Y117 E118 V121 V362 L368 F381 G382	Y117-F378 VanDerWaalsContact CB-O 3.27Å; Y117-F378 WeakPolarHBondContact CB-O 3.48Å; Y117-F378 WeakPolarHBondContact CD2-O 3.41Å; E118-F378 HydrophobicContact CB-CB 4.11Å; E118-F378 HydrophobicContact CB-CD1 4.15Å; E118-F378 HydrophobicContact CB-CD2 3.52Å; E118-F378 HydrophobicContact CB-CE1 4.48Å; E118-F378 HydrophobicContact CB-CE2 3.88Å; E118-F378 HydrophobicContact CB-CG 3.66Å; E118-F378 HydrophobicContact CB-CZ 4.35Å; E118-F378 HydrophobicContact CG-CD1 4.49Å; E118-F378 HydrophobicContact CG-CD2 3.72Å; E118-F378 HydrophobicContact CG-CE1 4.33Å; E118-F378 HydrophobicContact CG-CE2 3.5Å; E118-F378 HydrophobicContact CG-CG 4.21Å; E118-F378 HydrophobicContact CG-CZ 3.84Å; V121-F378 HydrophobicContact CG1-CD1 3.78Å; V121-F378 HydrophobicContact CG1-CE1 3.52Å; V362-F378 HydrophobicContact CG2-CE1 4.06Å; L368-F378 HydrophobicContact CD1-CD1 4.03Å; L368-F378 HydrophobicContact CD1-CD2 4.49Å; L368-F378 HydrophobicContact CD1-CE1 3.96Å; L368-F378 HydrophobicContact CD1-CE2 4.44Å; L368-F378 HydrophobicContact CD1-CG 4.29Å; L368-F378 HydrophobicContact CD1-CZ 4.19Å; F378-F381 PolarHBondContact O-N 3.46Å; F378-G382 PolarHBondContact O-N 3.22Å
379	M	93.8	Very high	92.7	Very high	26 Å²	26	43.1 Å²	43.1	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-48.7	168.5	-167.4	59.8	50.4	0	0	112.5	L110 R113 N114 Y117 S377 F381 G382 D383	L110-M379 WeakPolarHBondContact O-CE 3.33Å; R113-M379 VanDerWaalsContact C-CE 3.5Å; R113-M379 HydrophobicContact CB-CE 3.74Å; R113-M379 HydrophobicContact CB-SD 4.34Å; R113-M379 HydrophobicContact CG-CE 3.71Å; R113-M379 HydrophobicContact CG-SD 3.7Å; R113-M379 PolarHBondContact NH1-SD 3.36Å; N114-M379 VanDerWaalsContact CA-CE 3.43Å; N114-M379 HydrophobicContact CB-CE 3.55Å; N114-M379 PolarHBondContact OD1-N 2.86Å; Y117-M379 HydrophobicContact CD2-SD 4.3Å; Y117-M379 HydrophobicContact CE2-SD 3.97Å; S377-M379 PolarHBondContact O-N 2.93Å; S377-M379 WeakPolarHBondContact OG-CB 3.45Å; M379-F381 PolarHBondContact O-N 3.49Å; M379-G382 PolarHBondContact O-N 3.3Å; M379-D383 PolarHBondContact O-N 3.06Å
380	Y	95	Very high	92.7	Very high	16 Å²	16	49.5 Å²	49.5	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-43.1	178.3	171.9	-99.6	0	0	0	111.8	I330 V333 A334 V353 L357 T376 S377 G382 D383 V384	I330-Y380 HydrophobicContact CB-CE2 4.47Å; I330-Y380 HydrophobicContact CG2-CE2 4.18Å; I330-Y380 PolarHBondContact O-OH 3.42Å; V333-Y380 HydrophobicContact CB-CD2 4.12Å; V333-Y380 HydrophobicContact CB-CE2 3.53Å; V333-Y380 HydrophobicContact CG1-CD1 4.29Å; V333-Y380 HydrophobicContact CG1-CD2 3.92Å; V333-Y380 HydrophobicContact CG1-CE1 3.92Å; V333-Y380 HydrophobicContact CG1-CE2 3.53Å; V333-Y380 HydrophobicContact CG1-CG 4.28Å; V333-Y380 HydrophobicContact CG2-CE2 4.33Å; A334-Y380 VanDerWaalsContact CA-OH 3.28Å; A334-Y380 WeakPolarHBondContact CA-OH 3.42Å; A334-Y380 WeakPolarHBondContact CB-OH 3.46Å; A334-Y380 PolarHBondContact N-OH 2.86Å; A334-Y380 VanDerWaalsContact N-OH 3.15Å; V353-Y380 HydrophobicContact CG1-CE1 3.93Å; L357-Y380 HydrophobicContact CD1-CD1 3.94Å; L357-Y380 HydrophobicContact CD1-CE1 3.93Å; T376-Y380 HydrophobicContact CG2-CD1 3.96Å; T376-Y380 HydrophobicContact CG2-CE1 4.07Å; S377-Y380 WeakPolarHBondContact O-CB 3.44Å; S377-Y380 PolarHBondContact O-N 3.21Å; S377-Y380 VanDerWaalsContact O-N 3.08Å; S377-Y380 PolarHBondContact OG-N 3.39Å; Y380-G382 VanDerWaalsContact C-N 3.33Å; Y380-G382 PolarHBondContact O-N 2.83Å; Y380-D383 PolarHBondContact O-N 2.92Å; Y380-V384 HydrophobicContact CE1-CG2 4.19Å; Y380-V384 HydrophobicContact CE2-CG2 4.09Å; Y380-V384 WeakPolarHBondContact O-CG2 3.44Å; Y380-V384 PolarHBondContact O-N 3.42Å; Y380-V384 VanDerWaalsContact O-N 3.15Å
381	F	95	Very high	92.7	Very high	4 Å²	4	46 Å²	46	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-48.5	172.6	162.8	-98	0	0	0	111.4	V121 I354 L357 V358 S377 F378 M379 D383 V384 L385 W455	V121-F381 HydrophobicContact CB-CD1 4.37Å; V121-F381 HydrophobicContact CB-CE1 3.9Å; V121-F381 HydrophobicContact CB-CZ 4.13Å; V121-F381 HydrophobicContact CG2-CD1 4.31Å; V121-F381 HydrophobicContact CG2-CD2 4.36Å; V121-F381 HydrophobicContact CG2-CE1 3.8Å; V121-F381 HydrophobicContact CG2-CE2 3.84Å; V121-F381 HydrophobicContact CG2-CZ 3.54Å; I354-F381 HydrophobicContact CG2-CE2 4.1Å; L357-F381 HydrophobicContact CD1-CB 4.05Å; L357-F381 HydrophobicContact CD1-CD2 4.3Å; V358-F381 HydrophobicContact CG2-CD2 4.14Å; V358-F381 HydrophobicContact CG2-CE2 3.55Å; V358-F381 HydrophobicContact CG2-CZ 4.33Å; S377-F381 PolarHBondContact O-N 3.24Å; F378-F381 PolarHBondContact O-N 3.46Å; M379-F381 PolarHBondContact O-N 3.49Å; F381-D383 PolarHBondContact O-N 3.23Å; F381-V384 PolarHBondContact O-N 3.13Å; F381-L385 HydrophobicContact CE1-CD2 3.97Å; F381-L385 HydrophobicContact CZ-CD2 3.82Å; F381-L385 WeakPolarHBondContact O-CB 3.49Å; F381-L385 PolarHBondContact O-N 3.01Å; F381-W455 HydrophobicContact CE2-CH2 4.11Å; F381-W455 HydrophobicContact CE2-CZ3 4.01Å; F381-W455 HydrophobicContact CZ-CH2 4.16Å; F381-W455 AromaticContact CZ-CZ3 3.7Å; F381-W455 HydrophobicContact CZ-CZ3 3.7Å
382	G	94.5	Very high	92.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-42.2	179.3	0	0	0	0	0	113.6	Y117 F378 M379 Y380 V384 L385 E386	Y117-G382 VanDerWaalsContact CD1-CA 3.49Å; Y117-G382 VanDerWaalsContact CE1-CA 3.5Å; F378-G382 PolarHBondContact O-N 3.22Å; M379-G382 PolarHBondContact O-N 3.3Å; Y380-G382 VanDerWaalsContact C-N 3.33Å; Y380-G382 PolarHBondContact O-N 2.83Å; G382-V384 VanDerWaalsContact C-N 3.33Å; G382-V384 PolarHBondContact O-N 3.17Å; G382-L385 PolarHBondContact O-N 3.09Å; G382-E386 WeakPolarHBondContact O-CB 3.25Å; G382-E386 WeakPolarHBondContact O-CG 3.1Å; G382-E386 PolarHBondContact O-N 3.35Å
383	D	94.5	Very high	92.8	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-59.4	-42.9	175.8	-71.4	-30.1	0	0	0	111.8	R113 I330 M379 Y380 F381 Y387	R113-D383 IonicContact CZ-OD1 3.72Å; R113-D383 IonicContact NH1-OD1 3.25Å; R113-D383 PolarHBondContact NH1-OD1 3.24Å; R113-D383 IonicContact NH2-OD1 2.97Å; R113-D383 PolarHBondContact NH2-OD1 2.97Å; I330-D383 HydrophobicContact CD1-CB 3.91Å; I330-D383 HydrophobicContact CG1-CB 4.36Å; M379-D383 PolarHBondContact O-N 3.06Å; Y380-D383 PolarHBondContact O-N 2.92Å; F381-D383 PolarHBondContact O-N 3.23Å; D383-Y387 WeakPolarHBondContact O-CB 3.44Å; D383-Y387 PolarHBondContact O-N 2.88Å; D383-Y387 VanDerWaalsContact O-N 3.09Å
384	V	95.3	Very high	93.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.1	-42.4	177.9	-179.7	0	0	0	0	111.4	I330 P350 V353 I354 Y380 F381 G382 Y387 F388	I330-V384 HydrophobicContact CG2-CG2 3.68Å; P350-V384 HydrophobicContact CB-CG1 4.14Å; V353-V384 HydrophobicContact CB-CG1 4.05Å; V353-V384 HydrophobicContact CG1-CG1 4.06Å; V353-V384 HydrophobicContact CG1-CG2 4.11Å; I354-V384 HydrophobicContact CD1-CG1 4.18Å; I354-V384 HydrophobicContact CG1-CG1 3.85Å; Y380-V384 HydrophobicContact CE1-CG2 4.19Å; Y380-V384 HydrophobicContact CE2-CG2 4.09Å; Y380-V384 WeakPolarHBondContact O-CG2 3.44Å; Y380-V384 PolarHBondContact O-N 3.42Å; Y380-V384 VanDerWaalsContact O-N 3.15Å; F381-V384 PolarHBondContact O-N 3.13Å; G382-V384 VanDerWaalsContact C-N 3.33Å; G382-V384 PolarHBondContact O-N 3.17Å; V384-Y387 WeakPolarHBondContact O-CB 3.28Å; V384-Y387 PolarHBondContact O-N 2.91Å; V384-F388 WeakPolarHBondContact O-CB 3.06Å; V384-F388 PolarHBondContact O-N 3.16Å
385	L	94	Very high	93.2	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-44.8	178.8	179	63.7	0	0	0	111.8	M120 I354 F381 G382 Y387 F388 N389 W455	M120-L385 HydrophobicContact SD-CD2 3.44Å; M120-L385 WeakPolarHBondContact SD-CD2 3.41Å; I354-L385 HydrophobicContact CD1-CB 4.4Å; I354-L385 HydrophobicContact CD1-CD1 4.03Å; F381-L385 HydrophobicContact CE1-CD2 3.97Å; F381-L385 HydrophobicContact CZ-CD2 3.82Å; F381-L385 WeakPolarHBondContact O-CB 3.49Å; F381-L385 PolarHBondContact O-N 3.01Å; G382-L385 PolarHBondContact O-N 3.09Å; L385-Y387 VanDerWaalsContact C-N 3.35Å; L385-F388 PolarHBondContact O-N 3.35Å; L385-N389 PolarHBondContact O-N 3.48Å; L385-N389 PolarHBondContact O-ND2 3.3Å; L385-W455 HydrophobicContact CD1-CB 4.17Å; L385-W455 HydrophobicContact CD1-CD2 4.46Å; L385-W455 HydrophobicContact CD1-CE3 3.87Å
386	E	92.6	Very high	93.2	Very high	67 Å²	67	28.6 Å²	28.6	31%	0.313	14%	0.141	S	C	.	.	H	α-helix	trans	-64.1	-40.3	176.2	-75.6	-174.6	170.1	0	0	112.2	R113 Y117 G382 K390	R113-E386 IonicContact NH2-OE2 3.83Å; R113-E386 PolarHBondContact NH2-OE2 3.15Å; Y117-E386 PolarHBondContact OH-OE1 3.28Å; Y117-E386 PolarHBondContact OH-OE2 3.42Å; G382-E386 WeakPolarHBondContact O-CB 3.25Å; G382-E386 WeakPolarHBondContact O-CG 3.1Å; G382-E386 PolarHBondContact O-N 3.35Å; E386-K390 WeakPolarHBondContact O-CB 3.23Å; E386-K390 VanDerWaalsContact O-CG 3.29Å; E386-K390 WeakPolarHBondContact O-CG 3.32Å; E386-K390 PolarHBondContact O-N 3.46Å
387	Y	94.6	Very high	93	Very high	33 Å²	33	31.7 Å²	31.7	13%	0.129	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-52.2	172.1	174.1	-86.6	0	0	0	110.5	L321 F322 E325 A326 P350 D383 V384 L385 N389 K390 Q391	L321-Y387 VanDerWaalsContact C-OH 3.22Å; L321-Y387 PolarHBondContact O-OH 3.46Å; L321-Y387 VanDerWaalsContact O-OH 3.1Å; F322-Y387 VanDerWaalsContact CA-OH 3.27Å; F322-Y387 WeakPolarHBondContact CA-OH 3.35Å; F322-Y387 HydrophobicContact CB-CE1 4.15Å; F322-Y387 AromaticContact CD2-CD1 3.67Å; F322-Y387 HydrophobicContact CD2-CD1 3.67Å; F322-Y387 AromaticContact CD2-CE1 3.42Å; F322-Y387 HydrophobicContact CD2-CE1 3.42Å; F322-Y387 VanDerWaalsContact CD2-CE1 3.42Å; F322-Y387 HydrophobicContact CD2-CG 4.46Å; F322-Y387 HydrophobicContact CE2-CD1 4.08Å; F322-Y387 HydrophobicContact CE2-CE1 4.28Å; F322-Y387 HydrophobicContact CG-CE1 4.26Å; F322-Y387 PolarHBondContact N-OH 3.46Å; E325-Y387 HydrophobicContact CB-CE2 4.05Å; A326-Y387 HydrophobicContact CB-CD2 4.37Å; A326-Y387 HydrophobicContact CB-CE2 4.18Å; P350-Y387 HydrophobicContact CB-CD1 4.33Å; P350-Y387 HydrophobicContact CG-CE1 4.39Å; D383-Y387 WeakPolarHBondContact O-CB 3.44Å; D383-Y387 PolarHBondContact O-N 2.88Å; D383-Y387 VanDerWaalsContact O-N 3.09Å; V384-Y387 WeakPolarHBondContact O-CB 3.28Å; V384-Y387 PolarHBondContact O-N 2.91Å; L385-Y387 VanDerWaalsContact C-N 3.35Å; Y387-N389 PolarHBondContact O-N 3.32Å; Y387-K390 PolarHBondContact O-N 3.27Å; Y387-Q391 HydrophobicContact CD1-CB 4.47Å; Y387-Q391 HydrophobicContact CE1-CB 3.99Å; Y387-Q391 HydrophobicContact CE1-CG 4.2Å; Y387-Q391 VanDerWaalsContact CE1-OE1 3.3Å; Y387-Q391 VanDerWaalsContact O-CB 3.25Å; Y387-Q391 WeakPolarHBondContact O-CB 3.49Å; Y387-Q391 PolarHBondContact O-N 2.87Å; Y387-Q391 PolarHBondContact OH-NE2 2.72Å
388	F	93.9	Very high	92.8	Very high	14 Å²	14	34.8 Å²	34.8	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-48.5	-178.8	170	-106.7	0	0	0	111.8	P350 L351 I354 V384 L385 K390 Q391 S392 D454 W455	P350-F388 HydrophobicContact CB-CB 4.29Å; P350-F388 HydrophobicContact CG-CD2 4.17Å; L351-F388 HydrophobicContact CD1-CD2 4.47Å; L351-F388 HydrophobicContact CD1-CE2 3.6Å; L351-F388 HydrophobicContact CD1-CZ 3.72Å; L351-F388 HydrophobicContact CD2-CD1 3.96Å; L351-F388 HydrophobicContact CD2-CD2 4.05Å; L351-F388 HydrophobicContact CD2-CE1 3.57Å; L351-F388 HydrophobicContact CD2-CE2 3.69Å; L351-F388 HydrophobicContact CD2-CG 4.18Å; L351-F388 HydrophobicContact CD2-CZ 3.44Å; L351-F388 VanDerWaalsContact CD2-CZ 3.44Å; L351-F388 HydrophobicContact CG-CD2 3.81Å; L351-F388 HydrophobicContact CG-CE1 4.26Å; L351-F388 HydrophobicContact CG-CE2 3.4Å; L351-F388 VanDerWaalsContact CG-CE2 3.4Å; L351-F388 HydrophobicContact CG-CG 4.41Å; L351-F388 HydrophobicContact CG-CZ 3.67Å; I354-F388 HydrophobicContact CD1-CB 3.9Å; I354-F388 HydrophobicContact CD1-CD1 4.27Å; I354-F388 HydrophobicContact CD1-CG 4.17Å; V384-F388 WeakPolarHBondContact O-CB 3.06Å; V384-F388 PolarHBondContact O-N 3.16Å; L385-F388 PolarHBondContact O-N 3.35Å; F388-K390 PolarHBondContact O-N 3.47Å; F388-Q391 PolarHBondContact O-N 3.38Å; F388-S392 WeakPolarHBondContact O-CB 3.43Å; F388-S392 PolarHBondContact O-N 2.7Å; F388-D454 HydrophobicContact CE1-CB 3.7Å; F388-D454 HydrophobicContact CZ-CB 3.94Å; F388-W455 HydrophobicContact CD1-CB 4.42Å; F388-W455 HydrophobicContact CE1-CB 4.07Å
389	N	91.3	Very high	92.5	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.134	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-42.3	-179.7	-74.3	-31.8	0	0	0	111.9	L385 Y387 A393 N453 D454	L385-N389 PolarHBondContact O-N 3.48Å; L385-N389 PolarHBondContact O-ND2 3.3Å; Y387-N389 PolarHBondContact O-N 3.32Å; N389-A393 VanDerWaalsContact O-CB 3.27Å; N389-A393 WeakPolarHBondContact O-CB 3.25Å; N389-A393 PolarHBondContact O-N 3.34Å; N389-N453 PolarHBondContact ND2-OD1 2.92Å; N389-D454 PolarHBondContact OD1-N 2.89Å
390	K	91.4	Very high	92.3	Very high	146 Å²	146	37.3 Å²	37.3	64%	0.635	18%	0.184	S	C	*	.	H	α-helix	trans	-65.3	-44.8	176.2	-74.2	172.5	-177.3	168	0	111.8	E386 Y387 F388 K394	E386-K390 WeakPolarHBondContact O-CB 3.23Å; E386-K390 VanDerWaalsContact O-CG 3.29Å; E386-K390 WeakPolarHBondContact O-CG 3.32Å; E386-K390 PolarHBondContact O-N 3.46Å; Y387-K390 PolarHBondContact O-N 3.27Å; F388-K390 PolarHBondContact O-N 3.47Å; K390-K394 VanDerWaalsContact O-CB 3.23Å; K390-K394 WeakPolarHBondContact O-CB 3.39Å; K390-K394 PolarHBondContact O-N 2.81Å
391	Q	92.9	Very high	92	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-50	178.5	-178.9	-166.5	31.3	0	0	110.9	S318 L321 Y387 F388 K394 M395	S318-Q391 PolarHBondContact O-NE2 3.09Å; L321-Q391 HydrophobicContact CD1-CG 4.39Å; Y387-Q391 HydrophobicContact CD1-CB 4.47Å; Y387-Q391 HydrophobicContact CE1-CB 3.99Å; Y387-Q391 HydrophobicContact CE1-CG 4.2Å; Y387-Q391 VanDerWaalsContact CE1-OE1 3.3Å; Y387-Q391 VanDerWaalsContact O-CB 3.25Å; Y387-Q391 WeakPolarHBondContact O-CB 3.49Å; Y387-Q391 PolarHBondContact O-N 2.87Å; Y387-Q391 PolarHBondContact OH-NE2 2.72Å; F388-Q391 PolarHBondContact O-N 3.38Å; Q391-K394 WeakPolarHBondContact O-CB 3.07Å; Q391-K394 PolarHBondContact O-N 2.91Å; Q391-M395 HydrophobicContact CG-SD 4.26Å; Q391-M395 WeakPolarHBondContact O-CG 3.43Å; Q391-M395 PolarHBondContact O-N 2.96Å
392	S	91.1	Very high	91.9	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-44.6	-179.4	-179.1	0	0	0	0	111.7	F388 K394 M395 F396 R407 D454	F388-S392 WeakPolarHBondContact O-CB 3.43Å; F388-S392 PolarHBondContact O-N 2.7Å; S392-K394 VanDerWaalsContact C-N 3.34Å; S392-K394 PolarHBondContact O-N 3.05Å; S392-M395 PolarHBondContact O-N 3.29Å; S392-F396 PolarHBondContact O-N 3.43Å; S392-R407 PolarHBondContact OG-NH2 2.73Å; S392-D454 WeakPolarHBondContact CB-OD2 3.41Å; S392-D454 VanDerWaalsContact OG-CG 3.28Å; S392-D454 PolarHBondContact OG-OD2 2.94Å
393	A	90.5	Very high	91.8	Very high	23 Å²	23	37.9 Å²	37.9	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-40.2	173	0	0	0	0	0	112.3	N389 N397	N389-A393 VanDerWaalsContact O-CB 3.27Å; N389-A393 WeakPolarHBondContact O-CB 3.25Å; N389-A393 PolarHBondContact O-N 3.34Å; A393-N397 WeakPolarHBondContact O-CB 3.49Å; A393-N397 PolarHBondContact O-N 3.49Å; A393-N397 PolarHBondContact O-ND2 2.7Å
394	K	91	Very high	91.6	Very high	75 Å²	75	38.4 Å²	38.4	33%	0.326	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-47	175.8	176	-174.7	166.9	-170.8	0	111.4	E325 K390 Q391 S392 F396 L398 L400	E325-K394 VanDerWaalsContact CD-NZ 3.32Å; E325-K394 IonicContact OE1-NZ 3.29Å; E325-K394 PolarHBondContact OE1-NZ 2.71Å; E325-K394 IonicContact OE2-NZ 3.92Å; E325-K394 PolarHBondContact OE2-NZ 2.85Å; K390-K394 VanDerWaalsContact O-CB 3.23Å; K390-K394 WeakPolarHBondContact O-CB 3.39Å; K390-K394 PolarHBondContact O-N 2.81Å; Q391-K394 WeakPolarHBondContact O-CB 3.07Å; Q391-K394 PolarHBondContact O-N 2.91Å; S392-K394 VanDerWaalsContact C-N 3.34Å; S392-K394 PolarHBondContact O-N 3.05Å; K394-F396 PolarHBondContact O-N 3.29Å; K394-L398 HydrophobicContact CG-CD1 3.85Å; K394-L398 VanDerWaalsContact O-CB 3.3Å; K394-L398 WeakPolarHBondContact O-CB 3.37Å; K394-L398 PolarHBondContact O-N 3.35Å; K394-L400 HydrophobicContact CG-CD1 4.15Å
395	M	91.3	Very high	91.4	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-46.5	178.6	-72.4	-179.2	71.8	0	0	111.1	E317 L321 Q391 S392 N399 L400 D403	E317-M395 HydrophobicContact CB-CE 3.79Å; L321-M395 HydrophobicContact CD1-CG 4.01Å; L321-M395 HydrophobicContact CD1-SD 3.81Å; Q391-M395 HydrophobicContact CG-SD 4.26Å; Q391-M395 WeakPolarHBondContact O-CG 3.43Å; Q391-M395 PolarHBondContact O-N 2.96Å; S392-M395 PolarHBondContact O-N 3.29Å; M395-N399 WeakPolarHBondContact O-CA 3.04Å; M395-N399 PolarHBondContact O-N 3.34Å; M395-L400 PolarHBondContact O-N 3.44Å; M395-D403 HydrophobicContact CB-CB 4.09Å; M395-D403 HydrophobicContact CE-CB 4.35Å
396	F	91.6	Very high	91.3	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.039	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-57	176.7	-169.7	-95.3	0	0	0	112.1	S392 K394 L398 N399 D403 R404 R407 R444 I445 V516	S392-F396 PolarHBondContact O-N 3.43Å; K394-F396 PolarHBondContact O-N 3.29Å; F396-L398 VanDerWaalsContact C-N 3.33Å; F396-L398 PolarHBondContact O-N 2.9Å; F396-N399 PolarHBondContact O-N 3.11Å; F396-N399 VanDerWaalsContact O-N 3.08Å; F396-D403 WeakPolarHBondContact CB-OD2 3.46Å; F396-D403 WeakPolarHBondContact CD2-OD2 3.32Å; F396-R404 HydrophobicContact CD2-CB 4.43Å; F396-R404 HydrophobicContact CD2-CG 3.75Å; F396-R404 HydrophobicContact CE2-CB 4.29Å; F396-R404 HydrophobicContact CE2-CG 3.85Å; F396-R404 HydrophobicContact CG-CG 4.32Å; F396-R404 HydrophobicContact CZ-CG 4.48Å; F396-R404 PolarHBondContact O-NE 3.28Å; F396-R404 PolarHBondContact O-NH2 2.8Å; F396-R407 HydrophobicContact CE2-CB 4.47Å; F396-R444 HydrophobicContact CB-CG 4.26Å; F396-R444 HydrophobicContact CD1-CG 3.64Å; F396-R444 HydrophobicContact CD2-CG 3.46Å; F396-R444 VanDerWaalsContact CD2-CG 3.46Å; F396-R444 HydrophobicContact CE1-CG 3.73Å; F396-R444 HydrophobicContact CE2-CB 4.49Å; F396-R444 HydrophobicContact CE2-CG 3.55Å; F396-R444 HydrophobicContact CG-CG 3.49Å; F396-R444 VanDerWaalsContact CG-CG 3.49Å; F396-R444 HydrophobicContact CZ-CG 3.68Å; F396-I445 HydrophobicContact CE2-CD1 3.82Å; F396-I445 HydrophobicContact CZ-CD1 3.91Å; F396-V516 HydrophobicContact CE2-CG1 4.25Å; F396-V516 HydrophobicContact CZ-CG1 3.73Å
397	N	89.2	Confident	91.3	Very high	70 Å²	70	37.8 Å²	37.8	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-36.8	-170.5	-71.4	-14.2	0	0	0	112.6	A393 N399 R404 S449	A393-N397 WeakPolarHBondContact O-CB 3.49Å; A393-N397 PolarHBondContact O-N 3.49Å; A393-N397 PolarHBondContact O-ND2 2.7Å; N397-N399 VanDerWaalsContact C-N 3.34Å; N397-R404 PolarHBondContact O-NH2 2.76Å; N397-S449 PolarHBondContact ND2-OG 3.17Å; N397-S449 VanDerWaalsContact ND2-OG 3.12Å
398	L	90	Very high	91.2	Very high	114 Å²	114	36.2 Å²	36.2	60%	0.597	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.8	178.6	-58.6	-179.4	0	0	0	113.6	K394 F396 L400	K394-L398 HydrophobicContact CG-CD1 3.85Å; K394-L398 VanDerWaalsContact O-CB 3.3Å; K394-L398 WeakPolarHBondContact O-CB 3.37Å; K394-L398 PolarHBondContact O-N 3.35Å; F396-L398 VanDerWaalsContact C-N 3.33Å; F396-L398 PolarHBondContact O-N 2.9Å; L398-L400 VanDerWaalsContact C-N 3.28Å; L398-L400 HydrophobicContact CB-CD1 4.14Å; L398-L400 HydrophobicContact CB-CD2 4.24Å; L398-L400 HydrophobicContact CB-CG 3.8Å; L398-L400 HydrophobicContact CD1-CD1 4.26Å; L398-L400 PolarHBondContact O-N 2.83Å
399	N	89.2	Confident	91	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.23	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	45.9	-175.8	-162.9	29.8	0	0	0	112.6	M395 F396 N397 R404	M395-N399 WeakPolarHBondContact O-CA 3.04Å; M395-N399 PolarHBondContact O-N 3.34Å; F396-N399 PolarHBondContact O-N 3.11Å; F396-N399 VanDerWaalsContact O-N 3.08Å; N397-N399 VanDerWaalsContact C-N 3.34Å; N399-R404 VanDerWaalsContact OD1-CD 3.31Å; N399-R404 WeakPolarHBondContact OD1-CD 3.33Å; N399-R404 WeakPolarHBondContact OD1-CG 3.35Å
400	L	89	Confident	91	Very high	72 Å²	72	34.4 Å²	34.4	38%	0.377	18%	0.175	S	C	.	.			trans	-88.1	127	178.1	-55.9	174.8	0	0	0	109.4	K394 M395 L398	K394-L400 HydrophobicContact CG-CD1 4.15Å; M395-L400 PolarHBondContact O-N 3.44Å; L398-L400 VanDerWaalsContact C-N 3.28Å; L398-L400 HydrophobicContact CB-CD1 4.14Å; L398-L400 HydrophobicContact CB-CD2 4.24Å; L398-L400 HydrophobicContact CB-CG 3.8Å; L398-L400 HydrophobicContact CD1-CD1 4.26Å; L398-L400 PolarHBondContact O-N 2.83Å
401	G	90	Very high	91.1	Very high	29 Å²	29	27.4 Å²	27.4	30%	0.299	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-145.1	178.5	0	0	0	0	0	112.3	E317	E317-G401 WeakPolarHBondContact OE1-CA 3.35Å; E317-G401 WeakPolarHBondContact OE2-CA 3.22Å
402	V	92.1	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.2	-173.2	-58.1	0	0	0	0	114.3	I34 L310 T313 M314 E317 R404 Q405 Y406	I34-V402 HydrophobicContact CD1-CG1 3.5Å; L310-V402 HydrophobicContact CD2-CB 3.78Å; L310-V402 HydrophobicContact CD2-CG1 4Å; L310-V402 HydrophobicContact CD2-CG2 4.27Å; L310-V402 WeakPolarHBondContact O-CG2 3.45Å; T313-V402 HydrophobicContact CG2-CG1 3.9Å; T313-V402 HydrophobicContact CG2-CG2 3.79Å; M314-V402 HydrophobicContact CB-CG2 3.97Å; E317-V402 PolarHBondContact OE2-N 2.9Å; E317-V402 VanDerWaalsContact OE2-N 3.08Å; V402-R404 PolarHBondContact O-N 3.34Å; V402-Q405 WeakPolarHBondContact O-CB 3.23Å; V402-Q405 PolarHBondContact O-N 2.79Å; V402-Y406 PolarHBondContact O-N 3.49Å
403	D	91.7	Very high	91.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-44.9	-170.6	179.7	81.8	0	0	0	112.9	M395 F396 Q405 Y406 R407	M395-D403 HydrophobicContact CB-CB 4.09Å; M395-D403 HydrophobicContact CE-CB 4.35Å; F396-D403 WeakPolarHBondContact CB-OD2 3.46Å; F396-D403 WeakPolarHBondContact CD2-OD2 3.32Å; D403-Q405 PolarHBondContact O-N 3.44Å; D403-Y406 PolarHBondContact O-N 3.3Å; D403-R407 VanDerWaalsContact CG-NE 3.25Å; D403-R407 WeakPolarHBondContact O-CG 3.03Å; D403-R407 PolarHBondContact O-N 3.2Å; D403-R407 IonicContact OD1-CZ 2.76Å; D403-R407 IonicContact OD1-NE 2.78Å; D403-R407 PolarHBondContact OD1-NE 3.08Å; D403-R407 IonicContact OD1-NH2 3.46Å; D403-R407 PolarHBondContact OD1-NH2 3.39Å; D403-R407 WeakPolarHBondContact OD2-CD 3.31Å; D403-R407 IonicContact OD2-CZ 2.72Å; D403-R407 IonicContact OD2-NE 3.51Å; D403-R407 PolarHBondContact OD2-NE 2.86Å; D403-R407 IonicContact OD2-NH2 3.61Å
404	R	91.7	Very high	91.4	Very high	61 Å²	61	27.4 Å²	27.4	23%	0.23	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-46	176.9	-66.6	-158.5	-177.4	175.4	-2	112.4	F396 N397 N399 V402 R407 V408 V516	F396-R404 HydrophobicContact CD2-CB 4.43Å; F396-R404 HydrophobicContact CD2-CG 3.75Å; F396-R404 HydrophobicContact CE2-CB 4.29Å; F396-R404 HydrophobicContact CE2-CG 3.85Å; F396-R404 HydrophobicContact CG-CG 4.32Å; F396-R404 HydrophobicContact CZ-CG 4.48Å; F396-R404 PolarHBondContact O-NE 3.28Å; F396-R404 PolarHBondContact O-NH2 2.8Å; N397-R404 PolarHBondContact O-NH2 2.76Å; N399-R404 VanDerWaalsContact OD1-CD 3.31Å; N399-R404 WeakPolarHBondContact OD1-CD 3.33Å; N399-R404 WeakPolarHBondContact OD1-CG 3.35Å; V402-R404 PolarHBondContact O-N 3.34Å; R404-R407 PolarHBondContact O-N 3.1Å; R404-V408 WeakPolarHBondContact O-CG2 3.4Å; R404-V408 PolarHBondContact O-N 3.18Å; R404-V516 WeakPolarHBondContact CD-O 3.46Å; R404-V516 PolarHBondContact NH1-O 2.83Å
405	Q	91	Very high	91.6	Very high	39 Å²	39	23.9 Å²	23.9	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-47.1	-179.1	-63.3	166.3	-22.3	0	0	110.6	L310 V402 D403 L409 A517 F519	L310-Q405 HydrophobicContact CD1-CB 4.25Å; L310-Q405 HydrophobicContact CD2-CB 4.33Å; V402-Q405 WeakPolarHBondContact O-CB 3.23Å; V402-Q405 PolarHBondContact O-N 2.79Å; D403-Q405 PolarHBondContact O-N 3.44Å; Q405-L409 WeakPolarHBondContact O-CB 3.42Å; Q405-L409 PolarHBondContact O-N 2.74Å; Q405-L409 VanDerWaalsContact O-N 3.15Å; Q405-A517 HydrophobicContact CG-CB 4.25Å; Q405-F519 HydrophobicContact CB-CE2 3.99Å; Q405-F519 HydrophobicContact CB-CZ 3.61Å; Q405-F519 HydrophobicContact CG-CE1 4.12Å; Q405-F519 HydrophobicContact CG-CE2 4.08Å; Q405-F519 HydrophobicContact CG-CZ 3.48Å; Q405-F519 VanDerWaalsContact CG-CZ 3.48Å
406	Y	91.6	Very high	91.7	Very high	4 Å²	4	25 Å²	25	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-52	174.3	172.6	-105.3	0	0	0	111.2	I307 L310 L311 M314 V402 D403 V408 L409 N410	I307-Y406 HydrophobicContact CG2-CD2 4.43Å; I307-Y406 HydrophobicContact CG2-CE2 4.09Å; L310-Y406 HydrophobicContact CB-CD2 4.22Å; L311-Y406 HydrophobicContact CB-CD2 4.12Å; L311-Y406 HydrophobicContact CB-CE2 3.7Å; L311-Y406 HydrophobicContact CD1-CE2 4.01Å; L311-Y406 HydrophobicContact CG-CE2 4.31Å; M314-Y406 HydrophobicContact CE-CD1 3.87Å; M314-Y406 HydrophobicContact CE-CE1 3.75Å; M314-Y406 HydrophobicContact SD-CD1 3.38Å; M314-Y406 WeakPolarHBondContact SD-CD1 3.09Å; M314-Y406 HydrophobicContact SD-CE1 3.89Å; M314-Y406 HydrophobicContact SD-CG 4.02Å; V402-Y406 PolarHBondContact O-N 3.49Å; D403-Y406 PolarHBondContact O-N 3.3Å; Y406-V408 PolarHBondContact O-N 3.28Å; Y406-L409 PolarHBondContact O-N 3.34Å; Y406-N410 HydrophobicContact CE1-CB 4.31Å; Y406-N410 HydrophobicContact CE2-CB 4.18Å; Y406-N410 WeakPolarHBondContact O-CB 3.37Å; Y406-N410 PolarHBondContact O-N 2.72Å; Y406-N410 PolarHBondContact OH-ND2 3.21Å
407	R	92.2	Very high	91.8	Very high	16 Å²	16	25.1 Å²	25.1	6%	0.06	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-37.4	-175.3	-69.6	179.2	-168.5	-103.2	-3.6	113.9	S392 F396 D403 R404 S411 I445 D454	S392-R407 PolarHBondContact OG-NH2 2.73Å; F396-R407 HydrophobicContact CE2-CB 4.47Å; D403-R407 VanDerWaalsContact CG-NE 3.25Å; D403-R407 WeakPolarHBondContact O-CG 3.03Å; D403-R407 PolarHBondContact O-N 3.2Å; D403-R407 IonicContact OD1-CZ 2.76Å; D403-R407 IonicContact OD1-NE 2.78Å; D403-R407 PolarHBondContact OD1-NE 3.08Å; D403-R407 IonicContact OD1-NH2 3.46Å; D403-R407 PolarHBondContact OD1-NH2 3.39Å; D403-R407 WeakPolarHBondContact OD2-CD 3.31Å; D403-R407 IonicContact OD2-CZ 2.72Å; D403-R407 IonicContact OD2-NE 3.51Å; D403-R407 PolarHBondContact OD2-NE 2.86Å; D403-R407 IonicContact OD2-NH2 3.61Å; R404-R407 PolarHBondContact O-N 3.1Å; R407-S411 WeakPolarHBondContact O-CB 3.33Å; R407-S411 PolarHBondContact O-N 3.24Å; R407-S411 PolarHBondContact O-OG 2.92Å; R407-I445 HydrophobicContact CB-CD1 4.03Å; R407-I445 HydrophobicContact CB-CG1 4.22Å; R407-D454 IonicContact CZ-OD1 2.68Å; R407-D454 IonicContact NH1-OD1 3.62Å; R407-D454 PolarHBondContact NH1-OD1 3.18Å; R407-D454 IonicContact NH2-OD1 2.62Å; R407-D454 IonicContact NH2-OD2 3.56Å
408	V	92.2	Very high	92.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-54	173.3	162.7	0	0	0	0	109.7	R404 Y406 N410 S411 Y412 I445 I513 F514 V516 A517 F519	R404-V408 WeakPolarHBondContact O-CG2 3.4Å; R404-V408 PolarHBondContact O-N 3.18Å; Y406-V408 PolarHBondContact O-N 3.28Å; V408-N410 VanDerWaalsContact C-N 3.32Å; V408-N410 PolarHBondContact O-N 2.82Å; V408-S411 PolarHBondContact O-N 3.42Å; V408-S411 PolarHBondContact O-OG 2.74Å; V408-S411 VanDerWaalsContact O-OG 3.12Å; V408-Y412 WeakPolarHBondContact O-CB 3.29Å; V408-Y412 PolarHBondContact O-N 3.4Å; V408-I445 HydrophobicContact CB-CD1 4.45Å; V408-I445 HydrophobicContact CG2-CD1 3.5Å; V408-I445 HydrophobicContact CG2-CG1 4.36Å; V408-I513 HydrophobicContact CG1-CG1 4.17Å; V408-I513 WeakPolarHBondContact CG1-O 3.21Å; V408-I513 VanDerWaalsContact CG2-O 3.26Å; V408-I513 WeakPolarHBondContact CG2-O 3.05Å; V408-F514 HydrophobicContact CG1-CD1 4.29Å; V408-V516 HydrophobicContact CG2-CB 3.96Å; V408-V516 HydrophobicContact CG2-CG1 3.97Å; V408-A517 HydrophobicContact CB-CB 3.86Å; V408-A517 HydrophobicContact CG1-CB 4.19Å; V408-A517 HydrophobicContact CG2-CB 3.62Å; V408-F519 HydrophobicContact CG1-CD2 4.43Å
409	L	90.6	Very high	92.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.2	-36.2	180	-83.8	178.3	0	0	0	113.8	V306 I307 L310 Q405 Y406 S411 P413 F522 T526	V306-L409 HydrophobicContact CG1-CD1 3.97Å; I307-L409 HydrophobicContact CD1-CB 3.91Å; I307-L409 HydrophobicContact CG1-CB 3.76Å; I307-L409 HydrophobicContact CG1-CD1 3.98Å; I307-L409 HydrophobicContact CG1-CG 4.43Å; L310-L409 HydrophobicContact CD1-CD1 3.51Å; Q405-L409 WeakPolarHBondContact O-CB 3.42Å; Q405-L409 PolarHBondContact O-N 2.74Å; Q405-L409 VanDerWaalsContact O-N 3.15Å; Y406-L409 PolarHBondContact O-N 3.34Å; L409-S411 VanDerWaalsContact C-N 3.35Å; L409-P413 WeakPolarHBondContact O-CD 3.26Å; L409-F522 HydrophobicContact CD2-CD2 3.97Å; L409-F522 HydrophobicContact CD2-CE2 3.47Å; L409-F522 VanDerWaalsContact CD2-CE2 3.47Å; L409-F522 HydrophobicContact CD2-CZ 4.31Å; L409-T526 HydrophobicContact CD1-CG2 3.71Å; L409-T526 HydrophobicContact CD2-CG2 3.23Å; L409-T526 HydrophobicContact CG-CG2 3.45Å; L409-T526 VanDerWaalsContact CG-CG2 3.45Å
410	N	91.1	Very high	92.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.8	-27.1	-178.3	-165.4	59.3	0	0	0	111.9	Y294 Y406 V408 T437 I438 S441	Y294-N410 WeakPolarHBondContact CB-O 3.41Å; Y294-N410 VanDerWaalsContact CB-OD1 3.3Å; Y294-N410 WeakPolarHBondContact CB-OD1 3.47Å; Y406-N410 HydrophobicContact CE1-CB 4.31Å; Y406-N410 HydrophobicContact CE2-CB 4.18Å; Y406-N410 WeakPolarHBondContact O-CB 3.37Å; Y406-N410 PolarHBondContact O-N 2.72Å; Y406-N410 PolarHBondContact OH-ND2 3.21Å; V408-N410 VanDerWaalsContact C-N 3.32Å; V408-N410 PolarHBondContact O-N 2.82Å; N410-T437 PolarHBondContact ND2-O 3.29Å; N410-I438 HydrophobicContact CB-CD1 4.5Å; N410-I438 VanDerWaalsContact CG-CD1 3.44Å; N410-I438 WeakPolarHBondContact ND2-CD1 3.11Å; N410-I438 WeakPolarHBondContact O-CD1 3.36Å; N410-I438 WeakPolarHBondContact OD1-CD1 3.42Å; N410-S441 PolarHBondContact ND2-OG 2.63Å
411	S	93	Very high	92.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-92.9	-26.5	177.5	58.5	0	0	0	0	113.8	R407 V408 L409 I414 L415	R407-S411 WeakPolarHBondContact O-CB 3.33Å; R407-S411 PolarHBondContact O-N 3.24Å; R407-S411 PolarHBondContact O-OG 2.92Å; V408-S411 PolarHBondContact O-N 3.42Å; V408-S411 PolarHBondContact O-OG 2.74Å; V408-S411 VanDerWaalsContact O-OG 3.12Å; L409-S411 VanDerWaalsContact C-N 3.35Å; S411-I414 PolarHBondContact O-N 3.26Å; S411-L415 PolarHBondContact O-N 3.2Å
412	Y	92.7	Very high	92.7	Very high	30 Å²	30	14.3 Å²	14.3	12%	0.118	7%	0.068	C	C	.	.	H	α-helix	trans	-54.4	-46.6	-171	175.9	-103.4	0	0	0	114.9	V408 I414 L415 R416 L509 I513 F514 F522	V408-Y412 WeakPolarHBondContact O-CB 3.29Å; V408-Y412 PolarHBondContact O-N 3.4Å; Y412-I414 VanDerWaalsContact C-N 3.33Å; Y412-I414 PolarHBondContact O-N 3.18Å; Y412-L415 PolarHBondContact O-N 3.25Å; Y412-R416 HydrophobicContact CE1-CB 4.29Å; Y412-R416 HydrophobicContact CE2-CB 4.38Å; Y412-R416 WeakPolarHBondContact O-CB 3.12Å; Y412-R416 PolarHBondContact O-N 2.96Å; Y412-L509 HydrophobicContact CD2-CD2 4.26Å; Y412-L509 HydrophobicContact CE2-CD2 4.26Å; Y412-I513 HydrophobicContact CD2-CD1 4.13Å; Y412-I513 HydrophobicContact CD2-CG2 4.3Å; Y412-F514 HydrophobicContact CD2-CE1 4.22Å; Y412-F514 AromaticContact CD2-CZ 3.81Å; Y412-F514 HydrophobicContact CD2-CZ 3.81Å; Y412-F514 HydrophobicContact CE2-CE1 4.28Å; Y412-F514 HydrophobicContact CE2-CE2 4.22Å; Y412-F514 AromaticContact CE2-CZ 3.45Å; Y412-F514 HydrophobicContact CE2-CZ 3.45Å; Y412-F514 VanDerWaalsContact CE2-CZ 3.45Å; Y412-F514 AromaticContact CZ-CZ 3.91Å; Y412-F522 AromaticContact CD1-CD2 3.27Å; Y412-F522 HydrophobicContact CD1-CD2 3.27Å; Y412-F522 HydrophobicContact CD1-CE1 4.41Å; Y412-F522 AromaticContact CD1-CE2 3.1Å; Y412-F522 HydrophobicContact CD1-CE2 3.1Å; Y412-F522 HydrophobicContact CD1-CG 4Å; Y412-F522 AromaticContact CD1-CZ 3.71Å; Y412-F522 HydrophobicContact CD1-CZ 3.71Å; Y412-F522 HydrophobicContact CD2-CD2 4.5Å; Y412-F522 HydrophobicContact CE1-CB 4.16Å; Y412-F522 AromaticContact CE1-CD1 3.96Å; Y412-F522 HydrophobicContact CE1-CD1 3.96Å; Y412-F522 AromaticContact CE1-CD2 3.33Å; Y412-F522 HydrophobicContact CE1-CD2 3.33Å; Y412-F522 HydrophobicContact CE1-CE1 4.13Å; Y412-F522 AromaticContact CE1-CE2 3.53Å; Y412-F522 HydrophobicContact CE1-CE2 3.53Å; Y412-F522 AromaticContact CE1-CG 3.54Å; Y412-F522 HydrophobicContact CE1-CG 3.54Å; Y412-F522 AromaticContact CE1-CZ 3.89Å; Y412-F522 HydrophobicContact CE1-CZ 3.89Å; Y412-F522 AromaticContact CG-CD2 3.87Å; Y412-F522 HydrophobicContact CG-CD2 3.87Å; Y412-F522 AromaticContact CG-CE2 3.88Å; Y412-F522 HydrophobicContact CG-CE2 3.88Å
413	P	92.6	Very high	92.5	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-35.6	-174.1	-22	32.4	0	0	0	113.9	Y294 C296 C301 L409 R416 A417	Y294-P413 HydrophobicContact CD2-CG 3.37Å; Y294-P413 HydrophobicContact CE2-CG 3.76Å; Y294-P413 HydrophobicContact CG-CG 4.46Å; Y294-P413 WeakPolarHBondContact O-CB 3.49Å; Y294-P413 VanDerWaalsContact O-CG 3.31Å; Y294-P413 WeakPolarHBondContact O-CG 3.47Å; C296-P413 HydrophobicContact CB-CB 3.87Å; C296-P413 HydrophobicContact CB-CG 3.83Å; C301-P413 HydrophobicContact CB-CB 3.98Å; C301-P413 HydrophobicContact CB-CG 4.05Å; L409-P413 WeakPolarHBondContact O-CD 3.26Å; P413-R416 PolarHBondContact O-N 3.48Å; P413-A417 WeakPolarHBondContact O-CB 3.31Å; P413-A417 PolarHBondContact O-N 3.02Å
414	I	95.1	Very high	92.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.4	-41.7	177.2	-69.6	174.6	0	0	0	110.3	L151 A153 S411 Y412 A417 L418 F432 I438 I442	L151-I414 HydrophobicContact CD2-CG2 3.7Å; A153-I414 HydrophobicContact CB-CD1 4.24Å; A153-I414 HydrophobicContact CB-CG2 4.48Å; S411-I414 PolarHBondContact O-N 3.26Å; Y412-I414 VanDerWaalsContact C-N 3.33Å; Y412-I414 PolarHBondContact O-N 3.18Å; I414-A417 PolarHBondContact O-N 2.84Å; I414-L418 PolarHBondContact O-N 3.44Å; I414-F432 HydrophobicContact CD1-CB 4.25Å; I414-F432 HydrophobicContact CD1-CD1 4.1Å; I414-F432 HydrophobicContact CD1-CG 4.15Å; I414-F432 HydrophobicContact CG1-CD1 3.81Å; I414-F432 HydrophobicContact CG1-CD2 4.41Å; I414-F432 HydrophobicContact CG1-CE1 3.92Å; I414-F432 HydrophobicContact CG1-CE2 4.5Å; I414-F432 HydrophobicContact CG1-CG 4.07Å; I414-F432 HydrophobicContact CG1-CZ 4.26Å; I414-F432 HydrophobicContact CG2-CD2 4.47Å; I414-I438 HydrophobicContact CD1-CG2 3.45Å; I414-I438 VanDerWaalsContact CD1-CG2 3.45Å; I414-I442 HydrophobicContact CB-CD1 4.22Å; I414-I442 HydrophobicContact CD1-CD1 4.12Å; I414-I442 HydrophobicContact CG2-CD1 3.88Å
415	L	95.5	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.8	-35.2	176.2	-62.6	174.6	0	0	0	111.8	S411 Y412 L418 G419 I442 I446 F464 F508 L509 I513	S411-L415 PolarHBondContact O-N 3.2Å; Y412-L415 PolarHBondContact O-N 3.25Å; L415-L418 WeakPolarHBondContact O-CB 3.36Å; L415-L418 PolarHBondContact O-N 2.63Å; L415-G419 PolarHBondContact O-N 2.92Å; L415-I442 HydrophobicContact CD2-CG2 4.47Å; L415-I446 HydrophobicContact CD1-CG2 4.02Å; L415-I446 HydrophobicContact CD2-CG2 4.26Å; L415-F464 HydrophobicContact CD2-CE1 4.26Å; L415-F464 HydrophobicContact CD2-CE2 4.47Å; L415-F464 HydrophobicContact CD2-CZ 3.8Å; L415-F508 HydrophobicContact CD1-CE1 4.43Å; L415-L509 HydrophobicContact CB-CD2 3.72Å; L415-L509 WeakPolarHBondContact O-CD1 3.1Å; L415-I513 HydrophobicContact CD1-CD1 3.84Å
416	R	93.8	Very high	91.7	Very high	31 Å²	31	28.4 Å²	28.4	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-44.3	171.6	178.4	176.6	168.1	-79.9	-0.8	111.1	D298 E300 Y412 P413 L418 G419 L420	D298-R416 IonicContact OD1-CZ 2.73Å; D298-R416 IonicContact OD1-NH1 3.51Å; D298-R416 PolarHBondContact OD1-NH1 2.87Å; D298-R416 IonicContact OD1-NH2 3.74Å; D298-R416 IonicContact OD2-CZ 3.58Å; D298-R416 IonicContact OD2-NH1 2.7Å; D298-R416 PolarHBondContact OD2-NH1 3.09Å; D298-R416 IonicContact OD2-NH2 3.7Å; E300-R416 IonicContact OE2-CZ 2.66Å; E300-R416 IonicContact OE2-NE 3.81Å; E300-R416 IonicContact OE2-NH2 3.18Å; E300-R416 PolarHBondContact OE2-NH2 3.29Å; Y412-R416 HydrophobicContact CE1-CB 4.29Å; Y412-R416 HydrophobicContact CE2-CB 4.38Å; Y412-R416 WeakPolarHBondContact O-CB 3.12Å; Y412-R416 PolarHBondContact O-N 2.96Å; P413-R416 PolarHBondContact O-N 3.48Å; R416-L418 VanDerWaalsContact C-N 3.28Å; R416-L418 PolarHBondContact O-N 2.76Å; R416-G419 PolarHBondContact O-N 2.9Å; R416-G419 VanDerWaalsContact O-N 3.1Å; R416-L420 HydrophobicContact CG-CD1 4.19Å; R416-L420 HydrophobicContact CG-CG 4.45Å; R416-L420 WeakPolarHBondContact O-CG 3.21Å; R416-L420 PolarHBondContact O-N 3.45Å
417	A	94.5	Very high	91.6	Very high	12 Å²	12	30.1 Å²	30.1	10%	0.099	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-41	175	0	0	0	0	0	111.3	L151 P413 I414 L420 M421 F432	L151-A417 HydrophobicContact CD1-CB 4.09Å; P413-A417 WeakPolarHBondContact O-CB 3.31Å; P413-A417 PolarHBondContact O-N 3.02Å; I414-A417 PolarHBondContact O-N 2.84Å; A417-L420 PolarHBondContact O-N 3.49Å; A417-M421 WeakPolarHBondContact O-CB 3.27Å; A417-M421 PolarHBondContact O-N 2.89Å; A417-F432 HydrophobicContact CB-CE2 4.31Å; A417-F432 HydrophobicContact CB-CZ 3.87Å
418	L	95.8	Very high	91.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-47	172	176.9	61.6	0	0	0	111.9	L151 I414 L415 R416 M421 A422 F464 V466 L476 L505	L151-L418 HydrophobicContact CB-CD1 4.21Å; L151-L418 HydrophobicContact CD1-CB 3.96Å; I414-L418 PolarHBondContact O-N 3.44Å; L415-L418 WeakPolarHBondContact O-CB 3.36Å; L415-L418 PolarHBondContact O-N 2.63Å; R416-L418 VanDerWaalsContact C-N 3.28Å; R416-L418 PolarHBondContact O-N 2.76Å; L418-M421 HydrophobicContact CD1-CE 3.78Å; L418-M421 PolarHBondContact O-N 3.33Å; L418-A422 WeakPolarHBondContact O-CB 3.38Å; L418-A422 PolarHBondContact O-N 3.5Å; L418-F464 HydrophobicContact CD1-CB 3.64Å; L418-F464 HydrophobicContact CD1-CG 4.28Å; L418-F464 HydrophobicContact CD2-CB 3.75Å; L418-F464 HydrophobicContact CD2-CD1 3.34Å; L418-F464 HydrophobicContact CD2-CD2 4.14Å; L418-F464 HydrophobicContact CD2-CE1 3.89Å; L418-F464 HydrophobicContact CD2-CG 3.48Å; L418-F464 VanDerWaalsContact CD2-CG 3.48Å; L418-F464 HydrophobicContact CD2-CZ 4.48Å; L418-F464 HydrophobicContact CG-CB 4.33Å; L418-F464 HydrophobicContact CG-CG 4.46Å; L418-V466 HydrophobicContact CD1-CG2 4.06Å; L418-L476 HydrophobicContact CD1-CD1 4.25Å; L418-L476 HydrophobicContact CD2-CD1 4.14Å; L418-L476 HydrophobicContact CD2-CD2 4.46Å; L418-L505 HydrophobicContact CB-CD2 4.3Å; L418-L505 HydrophobicContact CD2-CD1 4.44Å; L418-L505 HydrophobicContact CD2-CD2 3.52Å; L418-L505 HydrophobicContact CG-CD2 3.56Å
419	G	94.3	Very high	91.7	Very high	6 Å²	6	30.3 Å²	30.3	6%	0.062	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-47.6	177.7	0	0	0	0	0	112.6	L415 R416 A422 E423	L415-G419 PolarHBondContact O-N 2.92Å; R416-G419 PolarHBondContact O-N 2.9Å; R416-G419 VanDerWaalsContact O-N 3.1Å; G419-A422 PolarHBondContact O-N 2.89Å; G419-E423 WeakPolarHBondContact O-CG 3.47Å; G419-E423 PolarHBondContact O-N 3.08Å
420	L	92.7	Very high	91.9	Very high	84 Å²	84	31 Å²	31	44%	0.44	16%	0.162	S	C	.	.	H	α-helix	trans	-66.5	-45	178.4	-66.9	174	0	0	0	112.6	R416 A417 A422 E423 G424	R416-L420 HydrophobicContact CG-CD1 4.19Å; R416-L420 HydrophobicContact CG-CG 4.45Å; R416-L420 WeakPolarHBondContact O-CG 3.21Å; R416-L420 PolarHBondContact O-N 3.45Å; A417-L420 PolarHBondContact O-N 3.49Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.08Å; L420-E423 PolarHBondContact O-N 3.31Å; L420-E423 VanDerWaalsContact O-N 3.13Å; L420-G424 PolarHBondContact O-N 3.04Å
421	M	92.8	Very high	92.2	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.054	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-43.9	176.8	-177.1	-170.3	70.2	0	0	110.4	L151 A417 L418 E423 G424 E428 Q430 V466	L151-M421 HydrophobicContact CB-CE 3.71Å; L151-M421 HydrophobicContact CB-SD 4.17Å; A417-M421 WeakPolarHBondContact O-CB 3.27Å; A417-M421 PolarHBondContact O-N 2.89Å; L418-M421 HydrophobicContact CD1-CE 3.78Å; L418-M421 PolarHBondContact O-N 3.33Å; M421-E423 PolarHBondContact O-N 2.96Å; M421-G424 PolarHBondContact O-N 3.09Å; M421-G424 VanDerWaalsContact O-N 3.1Å; M421-E428 HydrophobicContact CG-CB 4.12Å; M421-E428 HydrophobicContact CG-CG 4.19Å; M421-E428 HydrophobicContact SD-CB 4.28Å; M421-E428 HydrophobicContact SD-CG 4.13Å; M421-Q430 HydrophobicContact SD-CB 4.27Å; M421-V466 HydrophobicContact CE-CG2 4.07Å
422	A	90.4	Very high	92.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.7	-179.5	0	0	0	0	0	113.7	L418 G419 L420 V466 R474 L502	L418-A422 WeakPolarHBondContact O-CB 3.38Å; L418-A422 PolarHBondContact O-N 3.5Å; G419-A422 PolarHBondContact O-N 2.89Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.08Å; A422-V466 HydrophobicContact CB-CG1 4.18Å; A422-V466 HydrophobicContact CB-CG2 3.92Å; A422-R474 WeakPolarHBondContact O-CD 3.34Å; A422-R474 PolarHBondContact O-NH1 3.31Å; A422-L502 HydrophobicContact CB-CD1 3.51Å; A422-L502 HydrophobicContact CB-CD2 3.47Å; A422-L502 VanDerWaalsContact CB-CD2 3.47Å; A422-L502 HydrophobicContact CB-CG 4.1Å; A422-L502 WeakPolarHBondContact O-CD2 3.36Å
423	E	87.7	Confident	92.6	Very high	105 Å²	105	30.2 Å²	30.2	49%	0.491	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-22.7	169	-75.3	174.6	-170	0	0	112.4	G419 L420 M421 R474 Q506	G419-E423 WeakPolarHBondContact O-CG 3.47Å; G419-E423 PolarHBondContact O-N 3.08Å; L420-E423 PolarHBondContact O-N 3.31Å; L420-E423 VanDerWaalsContact O-N 3.13Å; M421-E423 PolarHBondContact O-N 2.96Å; E423-R474 PolarHBondContact O-NH1 3.21Å; E423-Q506 PolarHBondContact OE1-NE2 3.17Å
424	G	87.3	Confident	92.6	Very high	32 Å²	32	30.4 Å²	30.4	33%	0.33	16%	0.161	S	C	.	.	S	Bend	trans	-63.7	165.6	175.3	0	0	0	0	0	114.1	L420 M421 R474	L420-G424 PolarHBondContact O-N 3.04Å; M421-G424 PolarHBondContact O-N 3.09Å; M421-G424 VanDerWaalsContact O-N 3.1Å; G424-R474 PolarHBondContact O-NH1 3.3Å; G424-R474 PolarHBondContact O-NH2 3.38Å
425	N	83.9	Confident	92.6	Very high	149 Å²	149	30.7 Å²	30.7	80%	0.797	16%	0.162	S	C	*	.			trans	-110	6.9	175.2	-69.1	-32.7	0	0	0	112.7	R474	N425-R474 PolarHBondContact OD1-NH2 2.83Å
426	E	84.8	Confident	92.4	Very high	113 Å²	113	31.9 Å²	31.9	53%	0.528	17%	0.169	S	C	.	.	S	Bend	trans	-92.2	149	-175.9	-60.2	-174.8	165.8	0	0	111	N251 E428	N251-E426 PolarHBondContact ND2-OE2 3.37Å; E426-E428 PolarHBondContact O-N 3.04Å
427	K	89.5	Confident	92.2	Very high	39 Å²	39	32.5 Å²	32.5	17%	0.17	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	109	166.2	-72.1	-172	-173.7	-175.2	0	108.1	P241 L242 D244 T248 L250 N251	P241-K427 PolarHBondContact O-NZ 3.45Å; L242-K427 HydrophobicContact CD1-CB 3.87Å; L242-K427 HydrophobicContact CD1-CD 4.49Å; L242-K427 HydrophobicContact CD1-CG 4.19Å; D244-K427 PolarHBondContact O-NZ 3.03Å; T248-K427 HydrophobicContact CG2-CB 4.44Å; T248-K427 HydrophobicContact CG2-CD 4.23Å; T248-K427 HydrophobicContact CG2-CG 4.08Å; L250-K427 HydrophobicContact CD1-CB 4.09Å; N251-K427 PolarHBondContact N-O 3.37Å
428	E	92.3	Very high	92.2	Very high	16 Å²	16	32 Å²	32	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.3	-175.2	-173.9	167	172.7	0	0	112.4	S149 I150 N251 K253 M421 E426	S149-E428 CarbonylContact C-O 3.51Å; S149-E428 WeakPolarHBondContact CA-O 2.97Å; S149-E428 WeakPolarHBondContact CB-O 3.04Å; I150-E428 PolarHBondContact N-O 3.14Å; N251-E428 CarbonylContact O-C 3.58Å; N251-E428 WeakPolarHBondContact O-CA 3.2Å; K253-E428 WeakPolarHBondContact CD-OE1 3.36Å; K253-E428 WeakPolarHBondContact CE-OE1 3.49Å; K253-E428 IonicContact NZ-OE1 3.18Å; K253-E428 PolarHBondContact NZ-OE1 2.66Å; K253-E428 IonicContact NZ-OE2 3.37Å; K253-E428 PolarHBondContact NZ-OE2 3.25Å; K253-E428 VanDerWaalsContact NZ-OE2 3.08Å; M421-E428 HydrophobicContact CG-CB 4.12Å; M421-E428 HydrophobicContact CG-CG 4.19Å; M421-E428 HydrophobicContact SD-CB 4.28Å; M421-E428 HydrophobicContact SD-CG 4.13Å; E426-E428 PolarHBondContact O-N 3.04Å
429	V	94.4	Very high	92.1	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.5	164.6	174.9	0	0	0	0	107.7	I150 L242 F243 L250 N251 L252 K253 L431	I150-V429 HydrophobicContact CB-CG2 4.33Å; I150-V429 HydrophobicContact CD1-CG2 4.3Å; I150-V429 CarbonylContact O-C 3.49Å; I150-V429 WeakPolarHBondContact O-CA 3.34Å; L242-V429 HydrophobicContact CD2-CG2 3.89Å; L242-V429 HydrophobicContact CG-CG2 4.41Å; F243-V429 HydrophobicContact CE2-CG2 4.28Å; F243-V429 HydrophobicContact CZ-CG2 4.17Å; L250-V429 HydrophobicContact CD1-CG2 3.9Å; N251-V429 PolarHBondContact O-N 3.45Å; L252-V429 WeakPolarHBondContact CA-O 3.06Å; L252-V429 HydrophobicContact CD1-CB 3.67Å; L252-V429 HydrophobicContact CD1-CG1 3.43Å; L252-V429 VanDerWaalsContact CD1-CG1 3.43Å; L252-V429 WeakPolarHBondContact CD1-O 3.47Å; K253-V429 PolarHBondContact N-O 2.47Å; V429-L431 HydrophobicContact CG1-CD2 4.01Å; V429-L431 HydrophobicContact CG1-CG 4.19Å
430	Q	95.6	Very high	92	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117	178.8	-167	173.2	20	0	0	110.5	I150 L151 A152 K253 M421 F432	I150-Q430 PolarHBondContact O-N 3.34Å; L151-Q430 CarbonylContact C-O 3.55Å; L151-Q430 VanDerWaalsContact CA-O 3.29Å; L151-Q430 WeakPolarHBondContact CA-O 3.28Å; L151-Q430 HydrophobicContact CD1-CB 4.49Å; L151-Q430 HydrophobicContact CG-CB 4.3Å; A152-Q430 PolarHBondContact N-O 2.97Å; K253-Q430 HydrophobicContact CB-CG 4.24Å; M421-Q430 HydrophobicContact SD-CB 4.27Å; Q430-F432 VanDerWaalsContact CD-CE2 3.4Å; Q430-F432 HydrophobicContact CG-CD2 4.16Å; Q430-F432 HydrophobicContact CG-CE2 3.55Å; Q430-F432 HydrophobicContact CG-CZ 4.18Å; Q430-F432 VanDerWaalsContact NE2-CZ 3.32Å
431	L	97	Very high	92.1	Very high	9 Å²	9	27.8 Å²	27.8	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.9	179.3	-55.7	179.1	0	0	0	109.5	A152 L252 K253 L254 T255 L269 V270 V429	A152-L431 HydrophobicContact CB-CD2 3.89Å; A152-L431 CarbonylContact O-C 3.6Å; A152-L431 WeakPolarHBondContact O-CA 3.48Å; L252-L431 HydrophobicContact CD1-CD1 4.13Å; L252-L431 HydrophobicContact CD1-CG 4.28Å; K253-L431 PolarHBondContact O-N 2.82Å; L254-L431 CarbonylContact C-O 3.48Å; L254-L431 WeakPolarHBondContact CA-O 2.9Å; L254-L431 HydrophobicContact CD1-CB 3.95Å; T255-L431 PolarHBondContact N-O 3.26Å; L269-L431 HydrophobicContact CD2-CD1 4Å; L269-L431 HydrophobicContact CG-CD1 4.39Å; V270-L431 HydrophobicContact CG2-CD1 4.08Å; V429-L431 HydrophobicContact CG1-CD2 4.01Å; V429-L431 HydrophobicContact CG1-CG 4.19Å
432	F	97.2	Very high	92.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	101	172.7	-72.4	-96.8	0	0	0	109.9	L151 A152 A153 V154 T255 G295 I414 A417 Q430 S434	L151-F432 HydrophobicContact CD1-CD2 4.41Å; L151-F432 HydrophobicContact CD1-CE2 3.71Å; L151-F432 HydrophobicContact CD2-CD2 4.09Å; L151-F432 HydrophobicContact CD2-CE2 4.18Å; L151-F432 HydrophobicContact CG-CD2 4.13Å; L151-F432 HydrophobicContact CG-CE2 3.91Å; A152-F432 PolarHBondContact O-N 2.97Å; A153-F432 HydrophobicContact CB-CB 4.32Å; V154-F432 PolarHBondContact N-O 3.49Å; T255-F432 HydrophobicContact CG2-CD1 3.62Å; T255-F432 HydrophobicContact CG2-CE1 3.64Å; T255-F432 CarbonylContact O-C 3.52Å; T255-F432 WeakPolarHBondContact O-CA 3.44Å; G295-F432 WeakPolarHBondContact O-CE1 3.38Å; I414-F432 HydrophobicContact CD1-CB 4.25Å; I414-F432 HydrophobicContact CD1-CD1 4.1Å; I414-F432 HydrophobicContact CD1-CG 4.15Å; I414-F432 HydrophobicContact CG1-CD1 3.81Å; I414-F432 HydrophobicContact CG1-CD2 4.41Å; I414-F432 HydrophobicContact CG1-CE1 3.92Å; I414-F432 HydrophobicContact CG1-CE2 4.5Å; I414-F432 HydrophobicContact CG1-CG 4.07Å; I414-F432 HydrophobicContact CG1-CZ 4.26Å; I414-F432 HydrophobicContact CG2-CD2 4.47Å; A417-F432 HydrophobicContact CB-CE2 4.31Å; A417-F432 HydrophobicContact CB-CZ 3.87Å; Q430-F432 VanDerWaalsContact CD-CE2 3.4Å; Q430-F432 HydrophobicContact CG-CD2 4.16Å; Q430-F432 HydrophobicContact CG-CE2 3.55Å; Q430-F432 HydrophobicContact CG-CZ 4.18Å; Q430-F432 VanDerWaalsContact NE2-CZ 3.32Å; F432-S434 WeakPolarHBondContact CB-OG 3.28Å; F432-S434 PolarHBondContact O-N 3.5Å; F432-S434 PolarHBondContact O-OG 3.07Å
433	S	96.5	Very high	92.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	109.8	169	-168.5	0	0	0	0	110.4	T255 T262 S265 G266	T255-S433 PolarHBondContact O-N 2.64Å; T262-S433 WeakPolarHBondContact CB-O 3.28Å; T262-S433 VanDerWaalsContact O-CB 3.23Å; T262-S433 WeakPolarHBondContact O-CB 3.34Å; T262-S433 PolarHBondContact O-OG 3.32Å; S265-S433 WeakPolarHBondContact CB-OG 3.38Å; G266-S433 PolarHBondContact N-OG 3.3Å
434	S	94.5	Very high	92.6	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.049	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	-169.6	-157.1	-60.5	0	0	0	0	112.3	V154 H156 F432	V154-S434 PolarHBondContact O-N 3.01Å; H156-S434 PolarHBondContact N-O 3.26Å; F432-S434 WeakPolarHBondContact CB-OG 3.28Å; F432-S434 PolarHBondContact O-N 3.5Å; F432-S434 PolarHBondContact O-OG 3.07Å
435	H	93.4	Very high	92.9	Very high	6 Å²	6	21 Å²	21	3%	0.028	11%	0.108	C	C	.	.			trans	-115.1	164.9	179.3	-52.9	-86.5	0	0	0	110.5	H156 S257 F259 R261 T437 I438 I439	H156-H435 AromaticContact CD2-ND1 3.98Å; S257-H435 WeakPolarHBondContact CB-NE2 3.47Å; S257-H435 PolarHBondContact OG-CE1 3.03Å; S257-H435 PolarHBondContact OG-NE2 3.18Å; F259-H435 AromaticContact CD2-CE1 3.44Å; F259-H435 VanDerWaalsContact CD2-CE1 3.44Å; F259-H435 WeakPolarHBondContact CD2-CE1 3.5Å; F259-H435 AromaticContact CD2-NE2 3.73Å; R261-H435 PolarHBondContact NH2-CE1 3.5Å; R261-H435 PolarHBondContact NH2-ND1 3.38Å; R261-H435 VanDerWaalsContact NH2-ND1 3.13Å; H435-T437 PolarHBondContact O-N 3Å; H435-I438 PolarHBondContact O-N 3.4Å; H435-I438 VanDerWaalsContact O-N 3.13Å; H435-I439 PolarHBondContact O-N 3.46Å
436	D	91.4	Very high	93.4	Very high	25 Å²	25	13.9 Å²	13.9	13%	0.134	7%	0.07	C	C	.	.	H	α-helix	trans	-55.1	-41.6	170.2	35	23.7	0	0	0	111.6	R155 I438 I439 G440 Q456	R155-D436 HydrophobicContact CG-CB 4.5Å; R155-D436 IonicContact CZ-OD2 3.99Å; R155-D436 IonicContact NE-OD2 3.1Å; R155-D436 PolarHBondContact NE-OD2 2.77Å; R155-D436 IonicContact NH2-OD2 3.29Å; R155-D436 PolarHBondContact NH2-OD2 3.49Å; D436-I438 PolarHBondContact O-N 3.48Å; D436-I438 VanDerWaalsContact O-N 3.13Å; D436-I439 PolarHBondContact O-N 3.37Å; D436-G440 PolarHBondContact O-N 2.05Å; D436-Q456 HydrophobicContact CB-CB 4.43Å
437	T	90.9	Very high	93.7	Very high	44 Å²	44	8.6 Å²	8.6	27%	0.27	5%	0.046	S	C	.	.	H	α-helix	trans	-56.3	-30.6	179	58.9	0	0	0	0	112.7	N410 H435 S441	N410-T437 PolarHBondContact ND2-O 3.29Å; H435-T437 PolarHBondContact O-N 3Å; T437-S441 VanDerWaalsContact O-CB 3.24Å; T437-S441 WeakPolarHBondContact O-CB 3.42Å; T437-S441 PolarHBondContact O-N 3.13Å; T437-S441 VanDerWaalsContact O-N 3.08Å; T437-S441 PolarHBondContact O-OG 2.97Å
438	I	93.3	Very high	93.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-78	-50.4	177.8	-69.9	-69.4	0	0	0	111.7	Y293 Y294 N410 I414 H435 D436 G440 S441 I442	Y293-I438 WeakPolarHBondContact O-CD1 3.49Å; Y293-I438 WeakPolarHBondContact O-CG1 3.38Å; Y294-I438 VanDerWaalsContact CA-CD1 3.49Å; N410-I438 HydrophobicContact CB-CD1 4.5Å; N410-I438 VanDerWaalsContact CG-CD1 3.44Å; N410-I438 WeakPolarHBondContact ND2-CD1 3.11Å; N410-I438 WeakPolarHBondContact O-CD1 3.36Å; N410-I438 WeakPolarHBondContact OD1-CD1 3.42Å; I414-I438 HydrophobicContact CD1-CG2 3.45Å; I414-I438 VanDerWaalsContact CD1-CG2 3.45Å; H435-I438 PolarHBondContact O-N 3.4Å; H435-I438 VanDerWaalsContact O-N 3.13Å; D436-I438 PolarHBondContact O-N 3.48Å; D436-I438 VanDerWaalsContact O-N 3.13Å; I438-G440 VanDerWaalsContact C-N 3.31Å; I438-G440 PolarHBondContact O-N 3.33Å; I438-S441 PolarHBondContact O-N 2.71Å; I438-S441 VanDerWaalsContact O-N 3.12Å; I438-I442 HydrophobicContact CG2-CD1 3.83Å; I438-I442 HydrophobicContact CG2-CG1 4.48Å; I438-I442 WeakPolarHBondContact O-CG1 3.12Å; I438-I442 PolarHBondContact O-N 3.2Å
439	I	94.3	Very high	91.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.3	-48.4	177.7	-57.3	-52.8	0	0	0	109.7	A153 R155 H435 D436 S441 I442 L443 Q456 V462	A153-I439 HydrophobicContact CB-CD1 3.7Å; A153-I439 WeakPolarHBondContact O-CD1 3.37Å; R155-I439 HydrophobicContact CB-CG1 4.17Å; H435-I439 PolarHBondContact O-N 3.46Å; D436-I439 PolarHBondContact O-N 3.37Å; I439-S441 VanDerWaalsContact C-N 3.34Å; I439-S441 PolarHBondContact O-N 3.16Å; I439-I442 PolarHBondContact O-N 2.91Å; I439-L443 HydrophobicContact CG2-CD1 3.98Å; I439-L443 VanDerWaalsContact O-CG 3.29Å; I439-L443 WeakPolarHBondContact O-CG 3.36Å; I439-L443 PolarHBondContact O-N 3.35Å; I439-Q456 HydrophobicContact CB-CB 4.4Å; I439-Q456 HydrophobicContact CB-CG 3.86Å; I439-Q456 HydrophobicContact CG2-CB 4.11Å; I439-Q456 HydrophobicContact CG2-CG 3.47Å; I439-Q456 VanDerWaalsContact CG2-CG 3.47Å; I439-V462 HydrophobicContact CD1-CG2 4.37Å; I439-V462 HydrophobicContact CG2-CG2 3.97Å
440	G	92.8	Very high	90.2	Very high	1 Å²	1	17 Å²	17	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-63.6	-35.2	176.5	0	0	0	0	0	113.6	D436 I438 R444	D436-G440 PolarHBondContact O-N 2.05Å; I438-G440 VanDerWaalsContact C-N 3.31Å; I438-G440 PolarHBondContact O-N 3.33Å; G440-R444 VanDerWaalsContact O-CB 3.31Å; G440-R444 WeakPolarHBondContact O-CB 3.31Å; G440-R444 PolarHBondContact O-N 3.29Å; G440-R444 VanDerWaalsContact O-N 3.09Å
441	S	93.5	Very high	89	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-67.1	-50.4	174.9	-64.1	0	0	0	0	111.6	N410 T437 I438 I439 L443 R444 I445	N410-S441 PolarHBondContact ND2-OG 2.63Å; T437-S441 VanDerWaalsContact O-CB 3.24Å; T437-S441 WeakPolarHBondContact O-CB 3.42Å; T437-S441 PolarHBondContact O-N 3.13Å; T437-S441 VanDerWaalsContact O-N 3.08Å; T437-S441 PolarHBondContact O-OG 2.97Å; I438-S441 PolarHBondContact O-N 2.71Å; I438-S441 VanDerWaalsContact O-N 3.12Å; I439-S441 VanDerWaalsContact C-N 3.34Å; I439-S441 PolarHBondContact O-N 3.16Å; S441-L443 VanDerWaalsContact C-N 3.34Å; S441-L443 PolarHBondContact O-N 3.37Å; S441-R444 PolarHBondContact O-N 3.08Å; S441-I445 VanDerWaalsContact O-CG1 3.31Å; S441-I445 WeakPolarHBondContact O-CG1 3.46Å; S441-I445 PolarHBondContact O-N 3.42Å
442	I	94.9	Very high	88	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.5	-51.5	178.8	-70.9	169.6	0	0	0	109.8	A153 I414 L415 I438 I439 R444 I445 I446 V462 F464	A153-I442 HydrophobicContact CB-CD1 4.18Å; I414-I442 HydrophobicContact CB-CD1 4.22Å; I414-I442 HydrophobicContact CD1-CD1 4.12Å; I414-I442 HydrophobicContact CG2-CD1 3.88Å; L415-I442 HydrophobicContact CD2-CG2 4.47Å; I438-I442 HydrophobicContact CG2-CD1 3.83Å; I438-I442 HydrophobicContact CG2-CG1 4.48Å; I438-I442 WeakPolarHBondContact O-CG1 3.12Å; I438-I442 PolarHBondContact O-N 3.2Å; I439-I442 PolarHBondContact O-N 2.91Å; I442-R444 VanDerWaalsContact C-N 3.32Å; I442-R444 PolarHBondContact O-N 3.24Å; I442-I445 PolarHBondContact O-N 2.95Å; I442-I446 HydrophobicContact CG2-CD1 3.86Å; I442-I446 WeakPolarHBondContact O-CG1 3.33Å; I442-I446 WeakPolarHBondContact O-CG2 3.32Å; I442-I446 PolarHBondContact O-N 3.08Å; I442-V462 HydrophobicContact CG2-CG1 4.36Å; I442-F464 HydrophobicContact CG2-CE2 4.47Å; I442-F464 HydrophobicContact CG2-CZ 3.95Å
443	L	94.9	Very high	87.2	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-39.1	-179.6	-66.9	169.9	0	0	0	112.2	I439 S441 I445 T447 Y452 Q456 V462 H480 I485	I439-L443 HydrophobicContact CG2-CD1 3.98Å; I439-L443 VanDerWaalsContact O-CG 3.29Å; I439-L443 WeakPolarHBondContact O-CG 3.36Å; I439-L443 PolarHBondContact O-N 3.35Å; S441-L443 VanDerWaalsContact C-N 3.34Å; S441-L443 PolarHBondContact O-N 3.37Å; L443-I445 VanDerWaalsContact C-N 3.34Å; L443-I445 PolarHBondContact O-N 2.86Å; L443-T447 WeakPolarHBondContact O-CB 3.41Å; L443-T447 PolarHBondContact O-N 3.26Å; L443-T447 PolarHBondContact O-OG1 3.32Å; L443-Y452 VanDerWaalsContact C-CZ 3.47Å; L443-Y452 HydrophobicContact CB-CD1 3.83Å; L443-Y452 HydrophobicContact CB-CD2 3.59Å; L443-Y452 HydrophobicContact CB-CE1 3.77Å; L443-Y452 HydrophobicContact CB-CE2 3.5Å; L443-Y452 VanDerWaalsContact CB-CE2 3.5Å; L443-Y452 HydrophobicContact CB-CG 3.8Å; L443-Y452 HydrophobicContact CD1-CD2 3.7Å; L443-Y452 HydrophobicContact CD1-CE2 4.37Å; L443-Y452 HydrophobicContact CD1-CG 3.9Å; L443-Y452 HydrophobicContact CG-CD2 4.3Å; L443-Y452 HydrophobicContact CG-CG 4.39Å; L443-Y452 WeakPolarHBondContact O-CE1 3.44Å; L443-Q456 VanDerWaalsContact CD1-NE2 3.31Å; L443-V462 HydrophobicContact CD1-CG2 4.48Å; L443-V462 HydrophobicContact CD2-CG2 3.99Å; L443-V462 HydrophobicContact CG-CG2 4.09Å; L443-H480 HydrophobicContact CD2-CB 4.25Å; L443-I485 HydrophobicContact CD2-CD1 3.84Å
444	R	92.2	Very high	86.7	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-37	178.8	-164.7	65.8	72.9	-154	10.3	113.7	F396 G440 S441 I442 S449 Y452 D454 K490	F396-R444 HydrophobicContact CB-CG 4.26Å; F396-R444 HydrophobicContact CD1-CG 3.64Å; F396-R444 HydrophobicContact CD2-CG 3.46Å; F396-R444 VanDerWaalsContact CD2-CG 3.46Å; F396-R444 HydrophobicContact CE1-CG 3.73Å; F396-R444 HydrophobicContact CE2-CB 4.49Å; F396-R444 HydrophobicContact CE2-CG 3.55Å; F396-R444 HydrophobicContact CG-CG 3.49Å; F396-R444 VanDerWaalsContact CG-CG 3.49Å; F396-R444 HydrophobicContact CZ-CG 3.68Å; G440-R444 VanDerWaalsContact O-CB 3.31Å; G440-R444 WeakPolarHBondContact O-CB 3.31Å; G440-R444 PolarHBondContact O-N 3.29Å; G440-R444 VanDerWaalsContact O-N 3.09Å; S441-R444 PolarHBondContact O-N 3.08Å; I442-R444 VanDerWaalsContact C-N 3.32Å; I442-R444 PolarHBondContact O-N 3.24Å; R444-S449 VanDerWaalsContact NH1-CA 3.29Å; R444-S449 VanDerWaalsContact NH1-CB 3.3Å; R444-S449 PolarHBondContact NH1-O 3.06Å; R444-Y452 WeakPolarHBondContact CA-OH 3.45Å; R444-Y452 WeakPolarHBondContact CB-OH 3.18Å; R444-Y452 WeakPolarHBondContact CD-OH 3.11Å; R444-Y452 WeakPolarHBondContact CG-OH 3.45Å; R444-Y452 VanDerWaalsContact N-CZ 3.35Å; R444-Y452 PolarHBondContact N-OH 3.43Å; R444-Y452 PolarHBondContact NE-OH 3.34Å; R444-Y452 PolarHBondContact NH1-OH 3.17Å; R444-D454 IonicContact CZ-OD1 2.7Å; R444-D454 IonicContact CZ-OD2 3.45Å; R444-D454 IonicContact NE-OD1 3.17Å; R444-D454 PolarHBondContact NE-OD1 2.84Å; R444-D454 IonicContact NE-OD2 3.1Å; R444-D454 IonicContact NH2-OD1 2.94Å; R444-D454 PolarHBondContact NH2-OD1 2.76Å; R444-D454 IonicContact NH2-OD2 2.72Å; R444-D454 PolarHBondContact NH2-OD2 2.88Å; R444-K490 PolarHBondContact O-NZ 2.88Å; R444-K490 VanDerWaalsContact O-NZ 3.17Å
445	I	93.2	Very high	86.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-73.5	-50.5	178.6	-66.4	-50.4	0	0	0	110	F396 R407 V408 S441 I442 L443 K490 F508 I513 V516	F396-I445 HydrophobicContact CE2-CD1 3.82Å; F396-I445 HydrophobicContact CZ-CD1 3.91Å; R407-I445 HydrophobicContact CB-CD1 4.03Å; R407-I445 HydrophobicContact CB-CG1 4.22Å; V408-I445 HydrophobicContact CB-CD1 4.45Å; V408-I445 HydrophobicContact CG2-CD1 3.5Å; V408-I445 HydrophobicContact CG2-CG1 4.36Å; S441-I445 VanDerWaalsContact O-CG1 3.31Å; S441-I445 WeakPolarHBondContact O-CG1 3.46Å; S441-I445 PolarHBondContact O-N 3.42Å; I442-I445 PolarHBondContact O-N 2.95Å; L443-I445 VanDerWaalsContact C-N 3.34Å; L443-I445 PolarHBondContact O-N 2.86Å; I445-K490 PolarHBondContact O-NZ 2.98Å; I445-K490 VanDerWaalsContact O-NZ 3.13Å; I445-F508 HydrophobicContact CG2-CE1 3.91Å; I445-F508 HydrophobicContact CG2-CZ 3.57Å; I445-I513 HydrophobicContact CG2-CD1 4.15Å; I445-I513 HydrophobicContact CG2-CG1 3.8Å; I445-V516 HydrophobicContact CD1-CG1 3.8Å
446	I	94.2	Very high	86.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-86.1	-22	-169.9	78	-176.5	0	0	0	114.4	L415 I442 F464 V478 V489 K490 F491 F508	L415-I446 HydrophobicContact CD1-CG2 4.02Å; L415-I446 HydrophobicContact CD2-CG2 4.26Å; I442-I446 HydrophobicContact CG2-CD1 3.86Å; I442-I446 WeakPolarHBondContact O-CG1 3.33Å; I442-I446 WeakPolarHBondContact O-CG2 3.32Å; I442-I446 PolarHBondContact O-N 3.08Å; I446-F464 HydrophobicContact CD1-CE1 4.14Å; I446-F464 HydrophobicContact CD1-CZ 4.12Å; I446-V478 HydrophobicContact CD1-CG1 4.04Å; I446-V489 HydrophobicContact CB-CG1 4.36Å; I446-V489 CarbonylContact O-C 3.59Å; I446-V489 VanDerWaalsContact O-CA 3.29Å; I446-V489 WeakPolarHBondContact O-CA 2.99Å; I446-K490 WeakPolarHBondContact O-CG 3.44Å; I446-K490 PolarHBondContact O-N 2.86Å; I446-F491 HydrophobicContact CB-CE1 4.2Å; I446-F491 HydrophobicContact CG2-CE1 4.02Å; I446-F508 HydrophobicContact CG2-CE1 4.45Å
447	T	91.8	Very high	86.3	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.012	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-118.4	161.4	-176.9	73	0	0	0	0	112.9	L443 Y452 I485 K490	L443-T447 WeakPolarHBondContact O-CB 3.41Å; L443-T447 PolarHBondContact O-N 3.26Å; L443-T447 PolarHBondContact O-OG1 3.32Å; T447-Y452 WeakPolarHBondContact OG1-CD1 3.36Å; T447-Y452 WeakPolarHBondContact OG1-CE1 3.07Å; T447-I485 HydrophobicContact CG2-CD1 4.06Å; T447-K490 WeakPolarHBondContact O-CE 3.13Å; T447-K490 PolarHBondContact O-NZ 3.49Å
448	D	80	Confident	86.4	Confident	101 Å²	101	25.3 Å²	25.3	54%	0.54	15%	0.148	S	C	.	.			trans	-70.8	142.3	170.3	-71.7	-28	0	0	0	111.7	A450 K490	D448-A450 PolarHBondContact O-N 3.39Å; D448-K490 WeakPolarHBondContact OD1-CE 3.15Å
449	S	62.2	Low	86.5	Confident	40 Å²	40	25.3 Å²	25.3	28%	0.28	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-11	-159.5	57.8	0	0	0	0	116.5	N397 R444	N397-S449 PolarHBondContact ND2-OG 3.17Å; N397-S449 VanDerWaalsContact ND2-OG 3.12Å; R444-S449 VanDerWaalsContact NH1-CA 3.29Å; R444-S449 VanDerWaalsContact NH1-CB 3.3Å; R444-S449 PolarHBondContact NH1-O 3.06Å
450	A	60.8	Low	86.6	Confident	96 Å²	96	25.3 Å²	25.3	79%	0.793	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.2	-169.1	0	0	0	0	0	114.6	D448	D448-A450 PolarHBondContact O-N 3.39Å
451	I	69.3	Low	86.7	Confident	91 Å²	91	25.5 Å²	25.5	47%	0.467	15%	0.149	S	C	.	.	S	Bend	trans	-96.8	-16.1	-164.6	-52.9	177.7	0	0	0	112.6	T488	I451-T488 VanDerWaalsContact CD1-CB 3.49Å; I451-T488 HydrophobicContact CD1-CG2 3.53Å
452	Y	75.9	Confident	86.9	Confident	19 Å²	19	25.4 Å²	25.4	8%	0.075	15%	0.148	C	C	.	.			trans	-149.6	158.2	-173.8	70.6	-79.9	0	0	0	113	L443 R444 T447	L443-Y452 VanDerWaalsContact C-CZ 3.47Å; L443-Y452 HydrophobicContact CB-CD1 3.83Å; L443-Y452 HydrophobicContact CB-CD2 3.59Å; L443-Y452 HydrophobicContact CB-CE1 3.77Å; L443-Y452 HydrophobicContact CB-CE2 3.5Å; L443-Y452 VanDerWaalsContact CB-CE2 3.5Å; L443-Y452 HydrophobicContact CB-CG 3.8Å; L443-Y452 HydrophobicContact CD1-CD2 3.7Å; L443-Y452 HydrophobicContact CD1-CE2 4.37Å; L443-Y452 HydrophobicContact CD1-CG 3.9Å; L443-Y452 HydrophobicContact CG-CD2 4.3Å; L443-Y452 HydrophobicContact CG-CG 4.39Å; L443-Y452 WeakPolarHBondContact O-CE1 3.44Å; R444-Y452 WeakPolarHBondContact CA-OH 3.45Å; R444-Y452 WeakPolarHBondContact CB-OH 3.18Å; R444-Y452 WeakPolarHBondContact CD-OH 3.11Å; R444-Y452 WeakPolarHBondContact CG-OH 3.45Å; R444-Y452 VanDerWaalsContact N-CZ 3.35Å; R444-Y452 PolarHBondContact N-OH 3.43Å; R444-Y452 PolarHBondContact NE-OH 3.34Å; R444-Y452 PolarHBondContact NH1-OH 3.17Å; T447-Y452 WeakPolarHBondContact OG1-CD1 3.36Å; T447-Y452 WeakPolarHBondContact OG1-CE1 3.07Å
453	N	81.7	Confident	87	Confident	78 Å²	78	25.5 Å²	25.5	42%	0.417	15%	0.148	S	C	.	.			trans	-90.1	142.8	174.6	-66.2	-36.9	0	0	0	110.4	N389 W455 Q456	N389-N453 PolarHBondContact ND2-OD1 2.92Å; N453-W455 VanDerWaalsContact C-N 3.26Å; N453-W455 PolarHBondContact O-N 3.41Å; N453-Q456 PolarHBondContact O-NE2 3.49Å
454	D	85.3	Confident	87.2	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.048	15%	0.148	C	C	.	.	S	Bend	trans	-68	-30.6	178.3	-73.6	-57.4	0	0	0	112.6	F388 N389 S392 R407 R444 Q456	F388-D454 HydrophobicContact CE1-CB 3.7Å; F388-D454 HydrophobicContact CZ-CB 3.94Å; N389-D454 PolarHBondContact OD1-N 2.89Å; S392-D454 WeakPolarHBondContact CB-OD2 3.41Å; S392-D454 VanDerWaalsContact OG-CG 3.28Å; S392-D454 PolarHBondContact OG-OD2 2.94Å; R407-D454 IonicContact CZ-OD1 2.68Å; R407-D454 IonicContact NH1-OD1 3.62Å; R407-D454 PolarHBondContact NH1-OD1 3.18Å; R407-D454 IonicContact NH2-OD1 2.62Å; R407-D454 IonicContact NH2-OD2 3.56Å; R444-D454 IonicContact CZ-OD1 2.7Å; R444-D454 IonicContact CZ-OD2 3.45Å; R444-D454 IonicContact NE-OD1 3.17Å; R444-D454 PolarHBondContact NE-OD1 2.84Å; R444-D454 IonicContact NE-OD2 3.1Å; R444-D454 IonicContact NH2-OD1 2.94Å; R444-D454 PolarHBondContact NH2-OD1 2.76Å; R444-D454 IonicContact NH2-OD2 2.72Å; R444-D454 PolarHBondContact NH2-OD2 2.88Å; D454-Q456 PolarHBondContact O-N 2.95Å
455	W	88.6	Confident	87.5	Confident	17 Å²	17	25.2 Å²	25.2	6%	0.064	15%	0.147	C	C	.	.	S	Bend	trans	-86.1	103.2	174.3	-170.2	68.4	0	0	0	110.3	H124 L351 I354 V358 F381 L385 F388 N453	H124-W455 HydrophobicContact CB-CH2 4.37Å; H124-W455 HydrophobicContact CB-CZ3 4.44Å; H124-W455 AromaticContact CD2-CH2 3.51Å; H124-W455 AromaticContact CD2-CZ2 3.84Å; H124-W455 AromaticContact CE1-CD2 3.56Å; H124-W455 AromaticContact CE1-CE2 3.37Å; H124-W455 AromaticContact CE1-CE3 3.5Å; H124-W455 VanDerWaalsContact CE1-CE3 3.5Å; H124-W455 AromaticContact CE1-CH2 3.06Å; H124-W455 WeakPolarHBondContact CE1-CH2 3.05Å; H124-W455 AromaticContact CE1-CZ2 3.15Å; H124-W455 WeakPolarHBondContact CE1-CZ2 3.47Å; H124-W455 AromaticContact CE1-CZ3 3.25Å; H124-W455 WeakPolarHBondContact CE1-CZ3 3.5Å; H124-W455 AromaticContact CG-CH2 3.49Å; H124-W455 VanDerWaalsContact CG-CH2 3.49Å; H124-W455 AromaticContact CG-CZ3 3.72Å; H124-W455 AromaticContact ND1-CE3 3.61Å; H124-W455 AromaticContact ND1-CH2 3.23Å; H124-W455 WeakPolarHBondContact ND1-CH2 3.23Å; H124-W455 AromaticContact ND1-CZ2 3.84Å; H124-W455 AromaticContact ND1-CZ3 3.1Å; H124-W455 WeakPolarHBondContact ND1-CZ3 3.09Å; H124-W455 AromaticContact NE2-CE2 3.72Å; H124-W455 AromaticContact NE2-CH2 3.28Å; H124-W455 VanDerWaalsContact NE2-CH2 3.28Å; H124-W455 WeakPolarHBondContact NE2-CH2 3.5Å; H124-W455 AromaticContact NE2-CZ2 3.16Å; H124-W455 WeakPolarHBondContact NE2-CZ2 3.27Å; H124-W455 AromaticContact NE2-CZ3 3.95Å; L351-W455 HydrophobicContact CD2-CG 4.5Å; I354-W455 HydrophobicContact CG2-CD2 3.57Å; I354-W455 HydrophobicContact CG2-CE3 3.96Å; I354-W455 HydrophobicContact CG2-CG 4.12Å; I354-W455 HydrophobicContact CG2-CH2 3.91Å; I354-W455 HydrophobicContact CG2-CZ2 3.51Å; I354-W455 HydrophobicContact CG2-CZ3 4.12Å; V358-W455 HydrophobicContact CB-CH2 3.91Å; V358-W455 HydrophobicContact CB-CZ2 3.88Å; V358-W455 HydrophobicContact CG1-CH2 3.71Å; V358-W455 HydrophobicContact CG1-CZ2 3.8Å; V358-W455 HydrophobicContact CG2-CH2 3.27Å; V358-W455 HydrophobicContact CG2-CZ2 3.61Å; V358-W455 HydrophobicContact CG2-CZ3 4.33Å; F381-W455 HydrophobicContact CE2-CH2 4.11Å; F381-W455 HydrophobicContact CE2-CZ3 4.01Å; F381-W455 HydrophobicContact CZ-CH2 4.16Å; F381-W455 AromaticContact CZ-CZ3 3.7Å; F381-W455 HydrophobicContact CZ-CZ3 3.7Å; L385-W455 HydrophobicContact CD1-CB 4.17Å; L385-W455 HydrophobicContact CD1-CD2 4.46Å; L385-W455 HydrophobicContact CD1-CE3 3.87Å; F388-W455 HydrophobicContact CD1-CB 4.42Å; F388-W455 HydrophobicContact CE1-CB 4.07Å; N453-W455 VanDerWaalsContact C-N 3.26Å; N453-W455 PolarHBondContact O-N 3.41Å
456	Q	91.1	Very high	87.7	Confident	7 Å²	7	25.2 Å²	25.2	3%	0.033	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-86.6	151.3	-170.1	-66.8	-71.9	-36.3	0	0	111.8	H124 R155 D436 I439 L443 N453 D454 A460 H480	H124-Q456 PolarHBondContact CE1-O 3.44Å; R155-Q456 VanDerWaalsContact CZ-O 3.24Å; R155-Q456 PolarHBondContact NH1-O 2.94Å; D436-Q456 HydrophobicContact CB-CB 4.43Å; I439-Q456 HydrophobicContact CB-CB 4.4Å; I439-Q456 HydrophobicContact CB-CG 3.86Å; I439-Q456 HydrophobicContact CG2-CB 4.11Å; I439-Q456 HydrophobicContact CG2-CG 3.47Å; I439-Q456 VanDerWaalsContact CG2-CG 3.47Å; L443-Q456 VanDerWaalsContact CD1-NE2 3.31Å; N453-Q456 PolarHBondContact O-NE2 3.49Å; D454-Q456 PolarHBondContact O-N 2.95Å; Q456-A460 HydrophobicContact CB-CB 3.98Å; Q456-H480 PolarHBondContact OE1-CE1 3.38Å; Q456-H480 PolarHBondContact OE1-NE2 2.94Å
457	L	91.3	Very high	87.8	Confident	56 Å²	56	25.4 Å²	25.4	29%	0.293	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-57	156.8	176.1	-52.4	172	0	0	0	112	H124 R155 A460	H124-L457 HydrophobicContact CB-CD2 3.9Å; R155-L457 WeakPolarHBondContact CD-O 3.24Å; R155-L457 PolarHBondContact NH1-O 3.22Å; L457-A460 HydrophobicContact CB-CB 4.25Å; L457-A460 WeakPolarHBondContact O-CB 3.15Å; L457-A460 PolarHBondContact O-N 2.96Å
458	L	93.9	Very high	88	Confident	6 Å²	6	26.5 Å²	26.5	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	144.3	168.7	-67.2	167.1	0	0	0	109.2	H124 Q126 R155 D158 A460	H124-L458 WeakPolarHBondContact O-CB 3.41Å; H124-L458 PolarHBondContact O-N 3.22Å; Q126-L458 PolarHBondContact NE2-O 2.92Å; Q126-L458 VanDerWaalsContact NE2-O 3.16Å; Q126-L458 PolarHBondContact OE1-O 3.13Å; R155-L458 VanDerWaalsContact NH1-N 3.19Å; D158-L458 HydrophobicContact CB-CD1 3.8Å; L458-A460 PolarHBondContact O-N 2.93Å
459	A	95.2	Very high	88.7	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.008	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	19.9	-170.8	0	0	0	0	0	114.7	R155 Q225 L229	R155-A459 VanDerWaalsContact O-CA 3.22Å; R155-A459 WeakPolarHBondContact O-CA 3.35Å; R155-A459 PolarHBondContact O-N 3.41Å; Q225-A459 HydrophobicContact CB-CB 4.33Å; L229-A459 HydrophobicContact CD2-CB 4.21Å
460	A	95.1	Very high	90.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.			trans	-62	143.5	172.9	0	0	0	0	0	110.7	V154 R155 Q456 L457 L458 N481	V154-A460 CarbonylContact C-O 3.58Å; V154-A460 WeakPolarHBondContact CA-O 3.42Å; R155-A460 PolarHBondContact N-O 3.28Å; Q456-A460 HydrophobicContact CB-CB 3.98Å; L457-A460 HydrophobicContact CB-CB 4.25Å; L457-A460 WeakPolarHBondContact O-CB 3.15Å; L457-A460 PolarHBondContact O-N 2.96Å; L458-A460 PolarHBondContact O-N 2.93Å; A460-N481 WeakPolarHBondContact CA-OD1 3.05Å; A460-N481 WeakPolarHBondContact CB-OD1 3.34Å
461	R	96.3	Very high	91.8	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.023	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.1	-175.2	65.9	-171.1	-176.7	-78.1	-3.2	112.5	Q134 E137 A153 V154 V463 H480 N481	Q134-R461 PolarHBondContact O-NH2 3.4Å; Q134-R461 VanDerWaalsContact O-NH2 3.13Å; E137-R461 IonicContact OE1-CZ 3.6Å; E137-R461 IonicContact OE1-NE 3.1Å; E137-R461 PolarHBondContact OE1-NE 2.88Å; E137-R461 IonicContact OE1-NH2 3.18Å; E137-R461 PolarHBondContact OE1-NH2 3.15Å; E137-R461 IonicContact OE2-NH2 3.94Å; A153-R461 CarbonylContact O-C 3.52Å; A153-R461 VanDerWaalsContact O-CA 3.23Å; A153-R461 WeakPolarHBondContact O-CA 3.37Å; V154-R461 HydrophobicContact CG2-CB 4.04Å; R461-V463 HydrophobicContact CB-CG2 4.33Å; R461-V463 HydrophobicContact CG-CG2 4.02Å; R461-H480 WeakPolarHBondContact O-CA 3.27Å; R461-H480 PolarHBondContact O-CD2 3.15Å; R461-N481 PolarHBondContact N-OD1 3.39Å; R461-N481 PolarHBondContact O-N 2.98Å
462	V	96.9	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.7	158.2	-173.1	0	0	0	0	107	A152 A153 I439 I442 L443 F464 V478 L479	A152-V462 CarbonylContact C-O 3.49Å; A152-V462 WeakPolarHBondContact CA-O 3.46Å; A153-V462 PolarHBondContact N-O 2.88Å; A153-V462 PolarHBondContact O-N 3.3Å; I439-V462 HydrophobicContact CD1-CG2 4.37Å; I439-V462 HydrophobicContact CG2-CG2 3.97Å; I442-V462 HydrophobicContact CG2-CG1 4.36Å; L443-V462 HydrophobicContact CD1-CG2 4.48Å; L443-V462 HydrophobicContact CD2-CG2 3.99Å; L443-V462 HydrophobicContact CG-CG2 4.09Å; V462-F464 HydrophobicContact CB-CE2 4.36Å; V462-F464 HydrophobicContact CG1-CD2 4.31Å; V462-F464 HydrophobicContact CG1-CE1 4.42Å; V462-F464 HydrophobicContact CG1-CE2 3.64Å; V462-F464 HydrophobicContact CG1-CZ 3.7Å; V462-V478 HydrophobicContact CG1-CG1 4.08Å; V462-L479 CarbonylContact C-O 3.49Å; V462-L479 VanDerWaalsContact CA-O 3.3Å; V462-L479 WeakPolarHBondContact CA-O 3.48Å
463	V	98.2	Very high	93.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131	-179.2	-173.5	0	0	0	0	108.8	I150 L151 A152 Y237 R461 E465 V478 L479	I150-V463 HydrophobicContact CG2-CG1 3.72Å; L151-V463 CarbonylContact O-C 3.55Å; A152-V463 HydrophobicContact CB-CG1 4.48Å; A152-V463 HydrophobicContact CB-CG2 4.06Å; Y237-V463 WeakPolarHBondContact OH-CG1 3.38Å; R461-V463 HydrophobicContact CB-CG2 4.33Å; R461-V463 HydrophobicContact CG-CG2 4.02Å; V463-E465 HydrophobicContact CG1-CG 4.1Å; V463-V478 CarbonylContact O-C 3.6Å; V463-V478 WeakPolarHBondContact O-CA 3.17Å; V463-L479 HydrophobicContact CB-CB 4.32Å; V463-L479 HydrophobicContact CB-CD1 4.37Å; V463-L479 PolarHBondContact N-O 3.43Å; V463-L479 PolarHBondContact O-N 3.38Å
464	F	98.3	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.9	174.4	-61.6	-87	0	0	0	107.9	I150 L151 L415 L418 I442 I446 V462 L476 R477 V478	I150-F464 WeakPolarHBondContact CA-O 3.17Å; L151-F464 HydrophobicContact CB-CB 4.39Å; L151-F464 HydrophobicContact CD2-CD2 3.8Å; L151-F464 HydrophobicContact CD2-CE2 4.35Å; L151-F464 PolarHBondContact N-O 3.03Å; L151-F464 PolarHBondContact O-N 3.17Å; L415-F464 HydrophobicContact CD2-CE1 4.26Å; L415-F464 HydrophobicContact CD2-CE2 4.47Å; L415-F464 HydrophobicContact CD2-CZ 3.8Å; L418-F464 HydrophobicContact CD1-CB 3.64Å; L418-F464 HydrophobicContact CD1-CG 4.28Å; L418-F464 HydrophobicContact CD2-CB 3.75Å; L418-F464 HydrophobicContact CD2-CD1 3.34Å; L418-F464 HydrophobicContact CD2-CD2 4.14Å; L418-F464 HydrophobicContact CD2-CE1 3.89Å; L418-F464 HydrophobicContact CD2-CG 3.48Å; L418-F464 VanDerWaalsContact CD2-CG 3.48Å; L418-F464 HydrophobicContact CD2-CZ 4.48Å; L418-F464 HydrophobicContact CG-CB 4.33Å; L418-F464 HydrophobicContact CG-CG 4.46Å; I442-F464 HydrophobicContact CG2-CE2 4.47Å; I442-F464 HydrophobicContact CG2-CZ 3.95Å; I446-F464 HydrophobicContact CD1-CE1 4.14Å; I446-F464 HydrophobicContact CD1-CZ 4.12Å; V462-F464 HydrophobicContact CB-CE2 4.36Å; V462-F464 HydrophobicContact CG1-CD2 4.31Å; V462-F464 HydrophobicContact CG1-CE1 4.42Å; V462-F464 HydrophobicContact CG1-CE2 3.64Å; V462-F464 HydrophobicContact CG1-CZ 3.7Å; F464-L476 HydrophobicContact CB-CD1 4.13Å; F464-L476 HydrophobicContact CD1-CD1 4.3Å; F464-R477 WeakPolarHBondContact CA-O 3.45Å; F464-V478 HydrophobicContact CD1-CB 4.37Å; F464-V478 HydrophobicContact CD1-CG1 4Å; F464-V478 HydrophobicContact CD1-CG2 3.75Å; F464-V478 HydrophobicContact CE1-CB 4.43Å; F464-V478 HydrophobicContact CE1-CG1 3.7Å; F464-V478 HydrophobicContact CE1-CG2 3.89Å; F464-V478 HydrophobicContact CZ-CG1 4.36Å
465	E	98.2	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.3	179.2	-58.5	179.6	152.4	0	0	108.7	E137 G138 L147 Y237 V463 Y467 L476 R477 L479	E137-E465 VanDerWaalsContact CA-OE1 3.29Å; E137-E465 WeakPolarHBondContact CA-OE1 3.17Å; G138-E465 PolarHBondContact N-OE1 3.35Å; L147-E465 HydrophobicContact CD1-CB 3.71Å; L147-E465 HydrophobicContact CD1-CG 4.33Å; Y237-E465 WeakPolarHBondContact CE1-OE1 3.1Å; Y237-E465 PolarHBondContact OH-OE1 2.97Å; V463-E465 HydrophobicContact CG1-CG 4.1Å; E465-Y467 HydrophobicContact CB-CD2 4.21Å; E465-Y467 HydrophobicContact CB-CE2 3.6Å; E465-Y467 PolarHBondContact OE2-OH 3.09Å; E465-L476 CarbonylContact O-C 3.53Å; E465-L476 WeakPolarHBondContact O-CA 3.27Å; E465-R477 HydrophobicContact CB-CB 4.11Å; E465-R477 PolarHBondContact N-O 2.86Å; E465-R477 PolarHBondContact O-N 2.87Å; E465-R477 WeakPolarHBondContact OE2-CD 3.5Å; E465-R477 IonicContact OE2-NH1 3.6Å; E465-R477 PolarHBondContact OE2-NH1 2.88Å; E465-L479 VanDerWaalsContact CD-CD1 3.48Å; E465-L479 HydrophobicContact CG-CD1 3.79Å
466	V	97.4	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.8	177.4	-174.3	0	0	0	0	108.5	I148 S149 L418 M421 A422 L475 L476	I148-V466 HydrophobicContact CD1-CG1 4.04Å; I148-V466 HydrophobicContact CG1-CB 4.3Å; I148-V466 HydrophobicContact CG1-CG1 4.02Å; I148-V466 WeakPolarHBondContact CG1-O 3.04Å; I148-V466 PolarHBondContact N-O 3.46Å; S149-V466 PolarHBondContact N-O 3.23Å; S149-V466 PolarHBondContact O-N 2.72Å; L418-V466 HydrophobicContact CD1-CG2 4.06Å; M421-V466 HydrophobicContact CE-CG2 4.07Å; A422-V466 HydrophobicContact CB-CG1 4.18Å; A422-V466 HydrophobicContact CB-CG2 3.92Å; V466-L475 CarbonylContact C-O 3.59Å; V466-L475 WeakPolarHBondContact CA-O 3.33Å; V466-L476 HydrophobicContact CG2-CD1 4.32Å
467	Y	96.7	Very high	95.7	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.7	177.2	-71	-93.6	0	0	0	110.5	R139 T140 A145 T146 L147 E465 R474 L475 R477 L499	R139-Y467 PolarHBondContact O-OH 3.08Å; T140-Y467 HydrophobicContact CG2-CD1 4.12Å; T140-Y467 HydrophobicContact CG2-CE1 3.61Å; A145-Y467 HydrophobicContact CB-CD1 4.28Å; T146-Y467 CarbonylContact O-C 3.53Å; T146-Y467 VanDerWaalsContact O-CA 3.24Å; T146-Y467 WeakPolarHBondContact O-CA 3.42Å; L147-Y467 HydrophobicContact CB-CD1 4.1Å; L147-Y467 HydrophobicContact CB-CE1 3.77Å; L147-Y467 HydrophobicContact CD1-CD1 4.49Å; L147-Y467 HydrophobicContact CD1-CD2 4.33Å; L147-Y467 HydrophobicContact CD1-CE1 4.17Å; L147-Y467 HydrophobicContact CD1-CE2 4Å; E465-Y467 HydrophobicContact CB-CD2 4.21Å; E465-Y467 HydrophobicContact CB-CE2 3.6Å; E465-Y467 PolarHBondContact OE2-OH 3.09Å; Y467-R474 CarbonylContact O-C 3.6Å; Y467-R474 VanDerWaalsContact O-CA 3.31Å; Y467-R474 WeakPolarHBondContact O-CA 3.36Å; Y467-L475 PolarHBondContact N-O 2.96Å; Y467-L475 PolarHBondContact O-N 3.43Å; Y467-R477 HydrophobicContact CE2-CB 4.16Å; Y467-L499 HydrophobicContact CD2-CD1 4.2Å; Y467-L499 HydrophobicContact CD2-CD2 4.21Å; Y467-L499 HydrophobicContact CE2-CD2 4.33Å; Y467-L499 HydrophobicContact CG-CD1 4.16Å
468	E	95.5	Very high	96	Very high	26 Å²	26	24 Å²	24	12%	0.121	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.7	175.2	-170.2	175.3	91.4	0	0	110.6	A145 T146 I148 K472 T473 R474	A145-E468 WeakPolarHBondContact CA-O 3.36Å; T146-E468 PolarHBondContact N-O 2.95Å; T146-E468 PolarHBondContact O-N 3.07Å; I148-E468 HydrophobicContact CD1-CB 3.88Å; I148-E468 HydrophobicContact CG1-CB 4.18Å; I148-E468 HydrophobicContact CG2-CB 3.88Å; E468-K472 HydrophobicContact CG-CD 4.23Å; E468-K472 WeakPolarHBondContact OE1-CD 3.25Å; E468-K472 IonicContact OE1-NZ 2.74Å; E468-K472 PolarHBondContact OE1-NZ 2.96Å; E468-T473 WeakPolarHBondContact CA-O 3.38Å; E468-R474 HydrophobicContact CG-CG 4.4Å; E468-R474 IonicContact OE2-CZ 3.88Å; E468-R474 IonicContact OE2-NE 3.07Å; E468-R474 PolarHBondContact OE2-NE 3.38Å; E468-R474 IonicContact OE2-NH2 2.74Å; E468-R474 PolarHBondContact OE2-NH2 3.33Å
469	T	95.2	Very high	96.2	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.049	13%	0.129	C	C	.	.			trans	-85.4	167	174.8	69.6	0	0	0	0	111.3	A145 S471 K472 T473 L475	A145-T469 HydrophobicContact CB-CG2 4.41Å; T469-S471 PolarHBondContact O-N 3.07Å; T469-S471 VanDerWaalsContact O-N 3.14Å; T469-S471 PolarHBondContact OG1-N 3.07Å; T469-S471 PolarHBondContact OG1-OG 3.15Å; T469-K472 WeakPolarHBondContact O-CA 3.01Å; T469-K472 PolarHBondContact O-N 3.43Å; T469-T473 PolarHBondContact N-O 3.29Å; T469-T473 WeakPolarHBondContact OG1-CB 3.35Å; T469-T473 PolarHBondContact OG1-N 2.95Å; T469-T473 VanDerWaalsContact OG1-N 3.16Å; T469-T473 PolarHBondContact OG1-O 3.47Å; T469-L475 HydrophobicContact CG2-CD1 3.89Å
470	P	94	Very high	96.2	Very high	101 Å²	101	25 Å²	25	66%	0.656	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.2	175.7	-23.9	36.1	0	0	0	113.5	N144 K472	N144-P470 HydrophobicContact CB-CG 3.87Å; N144-P470 WeakPolarHBondContact O-CD 3.29Å; P470-K472 PolarHBondContact O-N 3.41Å
471	S	93.6	Very high	96.1	Very high	89 Å²	89	26.8 Å²	26.8	62%	0.622	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	9.4	173.3	60.7	0	0	0	0	113.5	T469 T473	T469-S471 PolarHBondContact O-N 3.07Å; T469-S471 VanDerWaalsContact O-N 3.14Å; T469-S471 PolarHBondContact OG1-N 3.07Å; T469-S471 PolarHBondContact OG1-OG 3.15Å; S471-T473 PolarHBondContact O-N 3.38Å; S471-T473 PolarHBondContact OG-OG1 3.06Å
472	K	92.7	Very high	96.1	Very high	146 Å²	146	26.7 Å²	26.7	64%	0.635	15%	0.146	S	C	*	.			trans	61.7	25.8	-177.7	-57.6	-63.9	-177.4	175.4	0	113.9	E468 T469 P470	E468-K472 HydrophobicContact CG-CD 4.23Å; E468-K472 WeakPolarHBondContact OE1-CD 3.25Å; E468-K472 IonicContact OE1-NZ 2.74Å; E468-K472 PolarHBondContact OE1-NZ 2.96Å; T469-K472 WeakPolarHBondContact O-CA 3.01Å; T469-K472 PolarHBondContact O-N 3.43Å; P470-K472 PolarHBondContact O-N 3.41Å
473	T	94	Very high	96	Very high	60 Å²	60	31.2 Å²	31.2	37%	0.368	17%	0.173	S	C	.	.			trans	-82.8	127.3	171.1	-56	0	0	0	0	108.9	E468 T469 S471 L475	E468-T473 WeakPolarHBondContact CA-O 3.38Å; T469-T473 PolarHBondContact N-O 3.29Å; T469-T473 WeakPolarHBondContact OG1-CB 3.35Å; T469-T473 PolarHBondContact OG1-N 2.95Å; T469-T473 VanDerWaalsContact OG1-N 3.16Å; T469-T473 PolarHBondContact OG1-O 3.47Å; S471-T473 PolarHBondContact O-N 3.38Å; S471-T473 PolarHBondContact OG-OG1 3.06Å; T473-L475 HydrophobicContact CG2-CD2 4.24Å
474	R	95.7	Very high	95.8	Very high	41 Å²	41	33.9 Å²	33.9	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130	178.7	-66.9	-175.9	178.7	161.6	-0.4	111.2	A422 E423 G424 N425 Y467 E468 L502	A422-R474 WeakPolarHBondContact O-CD 3.34Å; A422-R474 PolarHBondContact O-NH1 3.31Å; E423-R474 PolarHBondContact O-NH1 3.21Å; G424-R474 PolarHBondContact O-NH1 3.3Å; G424-R474 PolarHBondContact O-NH2 3.38Å; N425-R474 PolarHBondContact OD1-NH2 2.83Å; Y467-R474 CarbonylContact O-C 3.6Å; Y467-R474 VanDerWaalsContact O-CA 3.31Å; Y467-R474 WeakPolarHBondContact O-CA 3.36Å; E468-R474 HydrophobicContact CG-CG 4.4Å; E468-R474 IonicContact OE2-CZ 3.88Å; E468-R474 IonicContact OE2-NE 3.07Å; E468-R474 PolarHBondContact OE2-NE 3.38Å; E468-R474 IonicContact OE2-NH2 2.74Å; E468-R474 PolarHBondContact OE2-NH2 3.33Å; R474-L502 HydrophobicContact CB-CB 3.94Å; R474-L502 HydrophobicContact CB-CD2 3.73Å; R474-L502 HydrophobicContact CB-CG 4.48Å; R474-L502 HydrophobicContact CG-CD2 4.47Å; R474-L502 WeakPolarHBondContact O-CB 3.42Å; R474-L502 PolarHBondContact O-N 3.25Å
475	L	96.9	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.1	-177.9	-57.1	173.7	0	0	0	108.8	V466 Y467 T469 T473 E496 L499 C500	V466-L475 CarbonylContact C-O 3.59Å; V466-L475 WeakPolarHBondContact CA-O 3.33Å; Y467-L475 PolarHBondContact N-O 2.96Å; Y467-L475 PolarHBondContact O-N 3.43Å; T469-L475 HydrophobicContact CG2-CD1 3.89Å; T473-L475 HydrophobicContact CG2-CD2 4.24Å; L475-E496 HydrophobicContact CD1-CB 4.44Å; L475-E496 HydrophobicContact CD1-CG 4.31Å; L475-E496 HydrophobicContact CD2-CB 4.41Å; L475-L499 HydrophobicContact CB-CB 3.78Å; L475-L499 HydrophobicContact CB-CD1 3.94Å; L475-L499 HydrophobicContact CD1-CB 4.19Å; L475-L499 HydrophobicContact CD1-CD1 3.79Å; L475-L499 HydrophobicContact CG-CB 4.46Å; L475-C500 CarbonylContact C-O 3.28Å; L475-C500 WeakPolarHBondContact CA-O 3.38Å
476	L	97.6	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.4	-175.1	179.5	69.9	0	0	0	109.4	L418 F464 E465 V466 V478 F491 C500 L505	L418-L476 HydrophobicContact CD1-CD1 4.25Å; L418-L476 HydrophobicContact CD2-CD1 4.14Å; L418-L476 HydrophobicContact CD2-CD2 4.46Å; F464-L476 HydrophobicContact CB-CD1 4.13Å; F464-L476 HydrophobicContact CD1-CD1 4.3Å; E465-L476 CarbonylContact O-C 3.53Å; E465-L476 WeakPolarHBondContact O-CA 3.27Å; V466-L476 HydrophobicContact CG2-CD1 4.32Å; L476-V478 HydrophobicContact CD2-CG2 4.14Å; L476-V478 HydrophobicContact CG-CG2 4.19Å; L476-F491 HydrophobicContact CD2-CE2 3.85Å; L476-F491 HydrophobicContact CD2-CZ 4.02Å; L476-C500 HydrophobicContact CB-CB 4.48Å; L476-C500 WeakPolarHBondContact CB-O 3.39Å; L476-C500 PolarHBondContact N-O 2.91Å; L476-C500 WeakPolarHBondContact O-CB 3.42Å; L476-C500 PolarHBondContact O-N 3.49Å; L476-L505 HydrophobicContact CD2-CB 4.36Å; L476-L505 HydrophobicContact CD2-CD2 4.41Å
477	R	97.8	Very high	95.4	Very high	16 Å²	16	38.9 Å²	38.9	6%	0.06	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.2	166.7	-159.9	177.3	174.7	-140	-2.2	109.5	S136 R139 F464 E465 Y467 L479 D484 T486 L499	S136-R477 PolarHBondContact O-NH1 2.78Å; S136-R477 PolarHBondContact OG-NH2 3.39Å; R139-R477 PolarHBondContact O-NH1 3.18Å; F464-R477 WeakPolarHBondContact CA-O 3.45Å; E465-R477 HydrophobicContact CB-CB 4.11Å; E465-R477 PolarHBondContact N-O 2.86Å; E465-R477 PolarHBondContact O-N 2.87Å; E465-R477 WeakPolarHBondContact OE2-CD 3.5Å; E465-R477 IonicContact OE2-NH1 3.6Å; E465-R477 PolarHBondContact OE2-NH1 2.88Å; Y467-R477 HydrophobicContact CE2-CB 4.16Å; R477-L479 HydrophobicContact CG-CD1 4.21Å; R477-D484 IonicContact CZ-OD2 3.13Å; R477-D484 IonicContact NE-OD2 3.41Å; R477-D484 PolarHBondContact NE-OD2 2.78Å; R477-D484 IonicContact NH2-OD2 3.25Å; R477-D484 PolarHBondContact NH2-OD2 3.37Å; R477-D484 VanDerWaalsContact NH2-OD2 3.1Å; R477-T486 WeakPolarHBondContact CA-OG1 3.4Å; R477-T486 WeakPolarHBondContact CG-OG1 3.33Å; R477-L499 HydrophobicContact CB-CD2 3.78Å; R477-L499 HydrophobicContact CG-CD2 3.93Å
478	V	97.4	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.8	179	-170.2	0	0	0	0	109	I446 V462 V463 F464 L476 I485 T486 V489	I446-V478 HydrophobicContact CD1-CG1 4.04Å; V462-V478 HydrophobicContact CG1-CG1 4.08Å; V463-V478 CarbonylContact O-C 3.6Å; V463-V478 WeakPolarHBondContact O-CA 3.17Å; F464-V478 HydrophobicContact CD1-CB 4.37Å; F464-V478 HydrophobicContact CD1-CG1 4Å; F464-V478 HydrophobicContact CD1-CG2 3.75Å; F464-V478 HydrophobicContact CE1-CB 4.43Å; F464-V478 HydrophobicContact CE1-CG1 3.7Å; F464-V478 HydrophobicContact CE1-CG2 3.89Å; F464-V478 HydrophobicContact CZ-CG1 4.36Å; L476-V478 HydrophobicContact CD2-CG2 4.14Å; L476-V478 HydrophobicContact CG-CG2 4.19Å; V478-I485 HydrophobicContact CB-CG1 4.23Å; V478-I485 HydrophobicContact CG1-CD1 3.98Å; V478-I485 HydrophobicContact CG1-CG1 3.93Å; V478-I485 VanDerWaalsContact O-CG1 3.27Å; V478-I485 WeakPolarHBondContact O-CG1 3.28Å; V478-I485 PolarHBondContact O-N 2.89Å; V478-T486 PolarHBondContact N-OG1 3.39Å; V478-T486 PolarHBondContact O-N 3.2Å; V478-T486 PolarHBondContact O-OG1 3.24Å; V478-V489 HydrophobicContact CB-CG2 3.96Å; V478-V489 HydrophobicContact CG1-CG2 4.29Å; V478-V489 HydrophobicContact CG2-CG2 3.87Å
479	L	97.1	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.8	177.5	-55.6	96	0	0	0	110.8	S136 E137 V462 V463 E465 R477 V483	S136-L479 WeakPolarHBondContact OG-CD2 3.21Å; E137-L479 HydrophobicContact CG-CD2 4.12Å; V462-L479 CarbonylContact C-O 3.49Å; V462-L479 VanDerWaalsContact CA-O 3.3Å; V462-L479 WeakPolarHBondContact CA-O 3.48Å; V463-L479 HydrophobicContact CB-CB 4.32Å; V463-L479 HydrophobicContact CB-CD1 4.37Å; V463-L479 PolarHBondContact N-O 3.43Å; V463-L479 PolarHBondContact O-N 3.38Å; E465-L479 VanDerWaalsContact CD-CD1 3.48Å; E465-L479 HydrophobicContact CG-CD1 3.79Å; R477-L479 HydrophobicContact CG-CD1 4.21Å; L479-V483 CarbonylContact C-O 3.56Å; L479-V483 WeakPolarHBondContact CA-O 3.38Å
480	H	95.4	Very high	95.1	Very high	29 Å²	29	42.8 Å²	42.8	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.5	169.8	176.1	-133	0	0	0	109	L443 Q456 R461 G482 V483 I485	L443-H480 HydrophobicContact CD2-CB 4.25Å; Q456-H480 PolarHBondContact OE1-CE1 3.38Å; Q456-H480 PolarHBondContact OE1-NE2 2.94Å; R461-H480 WeakPolarHBondContact O-CA 3.27Å; R461-H480 PolarHBondContact O-CD2 3.15Å; H480-G482 PolarHBondContact O-N 3.44Å; H480-G482 VanDerWaalsContact O-N 3.12Å; H480-V483 PolarHBondContact N-O 3.44Å; H480-V483 PolarHBondContact O-N 3.44Å; H480-I485 HydrophobicContact CB-CD1 3.74Å; H480-I485 HydrophobicContact CB-CG1 4.2Å; H480-I485 HydrophobicContact CB-CG2 4.14Å
481	N	94.3	Very high	95.1	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.193	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	37.7	-175	-63.9	-26.7	0	0	0	113.5	A460 R461 V483	A460-N481 WeakPolarHBondContact CA-OD1 3.05Å; A460-N481 WeakPolarHBondContact CB-OD1 3.34Å; R461-N481 PolarHBondContact N-OD1 3.39Å; R461-N481 PolarHBondContact O-N 2.98Å; N481-V483 VanDerWaalsContact C-N 3.3Å; N481-V483 PolarHBondContact O-N 3.4Å
482	G	94.9	Very high	95.1	Very high	5 Å²	5	34.8 Å²	34.8	5%	0.052	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-7	178.5	0	0	0	0	0	115.9	G135 S136 E137 H480	G135-G482 WeakPolarHBondContact CA-O 3.17Å; S136-G482 PolarHBondContact N-O 3.38Å; S136-G482 PolarHBondContact OG-O 2.96Å; E137-G482 VanDerWaalsContact OE1-CA 3.28Å; E137-G482 WeakPolarHBondContact OE1-CA 3.33Å; E137-G482 PolarHBondContact OE1-N 3.36Å; E137-G482 VanDerWaalsContact OE2-CA 3.31Å; E137-G482 WeakPolarHBondContact OE2-CA 3.24Å; H480-G482 PolarHBondContact O-N 3.44Å; H480-G482 VanDerWaalsContact O-N 3.12Å
483	V	94.2	Very high	95.1	Very high	95 Å²	95	35.2 Å²	35.2	58%	0.576	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.8	172.2	-177.9	0	0	0	0	109.2	L479 H480 N481 I485	L479-V483 CarbonylContact C-O 3.56Å; L479-V483 WeakPolarHBondContact CA-O 3.38Å; H480-V483 PolarHBondContact N-O 3.44Å; H480-V483 PolarHBondContact O-N 3.44Å; N481-V483 VanDerWaalsContact C-N 3.3Å; N481-V483 PolarHBondContact O-N 3.4Å; V483-I485 HydrophobicContact CG1-CG2 4.39Å; V483-I485 PolarHBondContact O-N 2.55Å
484	D	95.5	Very high	95.1	Very high	57 Å²	57	35.6 Å²	35.6	31%	0.305	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	115.3	172.8	-166.5	-22.2	0	0	0	110.3	R477 T486	R477-D484 IonicContact CZ-OD2 3.13Å; R477-D484 IonicContact NE-OD2 3.41Å; R477-D484 PolarHBondContact NE-OD2 2.78Å; R477-D484 IonicContact NH2-OD2 3.25Å; R477-D484 PolarHBondContact NH2-OD2 3.37Å; R477-D484 VanDerWaalsContact NH2-OD2 3.1Å; D484-T486 WeakPolarHBondContact OD1-CB 3.19Å; D484-T486 PolarHBondContact OD1-N 3.34Å; D484-T486 PolarHBondContact OD1-OG1 3Å
485	I	94.9	Very high	95.1	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.067	21%	0.205	C	C	.	.			trans	-113.4	11.5	179.4	61.9	159.3	0	0	0	111.7	L443 T447 V478 H480 V483 S487 T488	L443-I485 HydrophobicContact CD2-CD1 3.84Å; T447-I485 HydrophobicContact CG2-CD1 4.06Å; V478-I485 HydrophobicContact CB-CG1 4.23Å; V478-I485 HydrophobicContact CG1-CD1 3.98Å; V478-I485 HydrophobicContact CG1-CG1 3.93Å; V478-I485 VanDerWaalsContact O-CG1 3.27Å; V478-I485 WeakPolarHBondContact O-CG1 3.28Å; V478-I485 PolarHBondContact O-N 2.89Å; H480-I485 HydrophobicContact CB-CD1 3.74Å; H480-I485 HydrophobicContact CB-CG1 4.2Å; H480-I485 HydrophobicContact CB-CG2 4.14Å; V483-I485 HydrophobicContact CG1-CG2 4.39Å; V483-I485 PolarHBondContact O-N 2.55Å; I485-S487 PolarHBondContact O-N 3.47Å; I485-S487 VanDerWaalsContact O-N 3.16Å; I485-T488 WeakPolarHBondContact O-CA 3.28Å; I485-T488 WeakPolarHBondContact O-CB 3.39Å; I485-T488 PolarHBondContact O-N 2.79Å; I485-T488 PolarHBondContact O-OG1 3.16Å
486	T	95.8	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.7	-38.3	-174.5	-50.5	0	0	0	0	112.1	R477 V478 D484 T488 V489 F495 C500	R477-T486 WeakPolarHBondContact CA-OG1 3.4Å; R477-T486 WeakPolarHBondContact CG-OG1 3.33Å; V478-T486 PolarHBondContact N-OG1 3.39Å; V478-T486 PolarHBondContact O-N 3.2Å; V478-T486 PolarHBondContact O-OG1 3.24Å; D484-T486 WeakPolarHBondContact OD1-CB 3.19Å; D484-T486 PolarHBondContact OD1-N 3.34Å; D484-T486 PolarHBondContact OD1-OG1 3Å; T486-T488 PolarHBondContact O-N 2.86Å; T486-V489 WeakPolarHBondContact O-CB 3.43Å; T486-V489 PolarHBondContact O-N 3.39Å; T486-F495 HydrophobicContact CG2-CE1 4.28Å; T486-C500 HydrophobicContact CG2-CB 3.71Å
487	S	93.9	Very high	94.8	Very high	91 Å²	91	48.7 Å²	48.7	64%	0.636	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66.6	-15.3	177.9	59.4	0	0	0	0	114.7	I485	I485-S487 PolarHBondContact O-N 3.47Å; I485-S487 VanDerWaalsContact O-N 3.16Å
488	T	93.5	Very high	94.7	Very high	35 Å²	35	49.9 Å²	49.9	22%	0.215	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-99.2	-4.5	-178.6	76	0	0	0	0	112.7	I451 I485 T486 K490	I451-T488 VanDerWaalsContact CD1-CB 3.49Å; I451-T488 HydrophobicContact CD1-CG2 3.53Å; I485-T488 WeakPolarHBondContact O-CA 3.28Å; I485-T488 WeakPolarHBondContact O-CB 3.39Å; I485-T488 PolarHBondContact O-N 2.79Å; I485-T488 PolarHBondContact O-OG1 3.16Å; T486-T488 PolarHBondContact O-N 2.86Å; T488-K490 PolarHBondContact O-N 3Å
489	V	95	Very high	94.7	Very high	4 Å²	4	50 Å²	50	2%	0.024	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-78.4	120.2	-177.3	176.1	0	0	0	0	109.9	I446 V478 T486 F491 C492	I446-V489 HydrophobicContact CB-CG1 4.36Å; I446-V489 CarbonylContact O-C 3.59Å; I446-V489 VanDerWaalsContact O-CA 3.29Å; I446-V489 WeakPolarHBondContact O-CA 2.99Å; V478-V489 HydrophobicContact CB-CG2 3.96Å; V478-V489 HydrophobicContact CG1-CG2 4.29Å; V478-V489 HydrophobicContact CG2-CG2 3.87Å; T486-V489 WeakPolarHBondContact O-CB 3.43Å; T486-V489 PolarHBondContact O-N 3.39Å; V489-F491 VanDerWaalsContact C-N 3.27Å; V489-F491 HydrophobicContact CG1-CD1 3.61Å; V489-F491 HydrophobicContact CG1-CD2 3.86Å; V489-F491 HydrophobicContact CG1-CE1 3.38Å; V489-F491 HydrophobicContact CG1-CE2 3.63Å; V489-F491 HydrophobicContact CG1-CG 3.85Å; V489-F491 HydrophobicContact CG1-CZ 3.38Å; V489-F491 PolarHBondContact O-N 2.83Å; V489-C492 HydrophobicContact CB-CB 4.21Å; V489-C492 HydrophobicContact CG1-CB 4.44Å; V489-C492 WeakPolarHBondContact O-CB 3.41Å; V489-C492 PolarHBondContact O-N 3.15Å
490	K	92.9	Very high	94.7	Very high	81 Å²	81	50 Å²	50	35%	0.352	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.1	-172.5	-68.7	175.8	-174.4	144.3	0	114.4	R444 I445 I446 T447 D448 T488 C492	R444-K490 PolarHBondContact O-NZ 2.88Å; R444-K490 VanDerWaalsContact O-NZ 3.17Å; I445-K490 PolarHBondContact O-NZ 2.98Å; I445-K490 VanDerWaalsContact O-NZ 3.13Å; I446-K490 WeakPolarHBondContact O-CG 3.44Å; I446-K490 PolarHBondContact O-N 2.86Å; T447-K490 WeakPolarHBondContact O-CE 3.13Å; T447-K490 PolarHBondContact O-NZ 3.49Å; D448-K490 WeakPolarHBondContact OD1-CE 3.15Å; T488-K490 PolarHBondContact O-N 3Å; K490-C492 VanDerWaalsContact C-N 3.3Å
491	F	93.8	Very high	94.7	Very high	12 Å²	12	50 Å²	50	5%	0.053	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.8	-179.4	61.8	-108.3	0	0	0	113.5	I446 L476 V489 K493 L505 F508	I446-F491 HydrophobicContact CB-CE1 4.2Å; I446-F491 HydrophobicContact CG2-CE1 4.02Å; L476-F491 HydrophobicContact CD2-CE2 3.85Å; L476-F491 HydrophobicContact CD2-CZ 4.02Å; V489-F491 VanDerWaalsContact C-N 3.27Å; V489-F491 HydrophobicContact CG1-CD1 3.61Å; V489-F491 HydrophobicContact CG1-CD2 3.86Å; V489-F491 HydrophobicContact CG1-CE1 3.38Å; V489-F491 HydrophobicContact CG1-CE2 3.63Å; V489-F491 HydrophobicContact CG1-CG 3.85Å; V489-F491 HydrophobicContact CG1-CZ 3.38Å; V489-F491 PolarHBondContact O-N 2.83Å; F491-K493 PolarHBondContact O-N 3.22Å; F491-L505 HydrophobicContact CD2-CB 4.3Å; F491-L505 HydrophobicContact CE1-CD1 4.01Å; F491-L505 HydrophobicContact CE2-CB 3.8Å; F491-L505 HydrophobicContact CE2-CD1 4.23Å; F491-L505 HydrophobicContact CZ-CB 4.17Å; F491-L505 HydrophobicContact CZ-CD1 3.71Å; F491-F508 HydrophobicContact CB-CB 3.58Å; F491-F508 HydrophobicContact CB-CD2 4.06Å; F491-F508 HydrophobicContact CB-CG 3.86Å; F491-F508 HydrophobicContact CD1-CB 3.92Å; F491-F508 AromaticContact CD1-CD1 3.53Å; F491-F508 HydrophobicContact CD1-CD1 3.53Å; F491-F508 HydrophobicContact CD1-CD2 4.2Å; F491-F508 HydrophobicContact CD1-CE1 4.07Å; F491-F508 AromaticContact CD1-CG 3.61Å; F491-F508 HydrophobicContact CD1-CG 3.61Å; F491-F508 HydrophobicContact CE1-CD1 4.01Å; F491-F508 HydrophobicContact CE1-CE1 4.42Å; F491-F508 HydrophobicContact CE1-CG 4.49Å; F491-F508 HydrophobicContact CG-CB 3.87Å; F491-F508 HydrophobicContact CG-CD1 4.35Å; F491-F508 HydrophobicContact CG-CG 4.03Å
492	C	94.5	Very high	94.8	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.068	26%	0.262	C	S	.	.			trans	-89.1	85.1	177.1	-64.6	0	0	0	0	110.4	V489 K490 F495 C500	V489-C492 HydrophobicContact CB-CB 4.21Å; V489-C492 HydrophobicContact CG1-CB 4.44Å; V489-C492 WeakPolarHBondContact O-CB 3.41Å; V489-C492 PolarHBondContact O-N 3.15Å; K490-C492 VanDerWaalsContact C-N 3.3Å; C492-F495 HydrophobicContact CB-CE1 3.74Å; C492-F495 HydrophobicContact CB-CZ 3.87Å; C492-F495 VanDerWaalsContact O-CZ 3.29Å; C492-F495 WeakPolarHBondContact O-CZ 3.3Å; C492-C500 WeakPolarHBondContact CA-SG 3.44Å; C492-C500 HydrophobicContact CB-CB 3.66Å; C492-C500 WeakPolarHBondContact CB-SG 3.5Å; C492-C500 WeakPolarHBondContact SG-CB 3.22Å; C492-C500 CovalentContact SG-SG 2.03Å; C492-C500 PolarHBondContact SG-SG 3.46Å
493	K	91.3	Very high	94.7	Very high	154 Å²	154	52 Å²	52	67%	0.67	28%	0.284	S	S	*	.			trans	-82.7	-18.7	-178.3	-61.1	174	-173.9	162	0	113.4	F491 E507	F491-K493 PolarHBondContact O-N 3.22Å; K493-E507 IonicContact NZ-OE1 3.94Å; K493-E507 PolarHBondContact NZ-OE1 3.16Å; K493-E507 IonicContact NZ-OE2 3.27Å
494	S	94.4	Very high	94.7	Very high	68 Å²	68	48 Å²	48	48%	0.476	26%	0.262	S	S	.	.			trans	-141.2	156.9	179.3	58.8	0	0	0	0	110.4	P501	S494-P501 WeakPolarHBondContact O-CD 3.37Å
495	F	95.2	Very high	94.7	Very high	98 Å²	98	45.3 Å²	45.3	43%	0.43	25%	0.248	S	C	.	.			trans	-136.1	140.7	-176.1	-57.1	-83.8	0	0	0	111.4	T486 C492 L499	T486-F495 HydrophobicContact CG2-CE1 4.28Å; C492-F495 HydrophobicContact CB-CE1 3.74Å; C492-F495 HydrophobicContact CB-CZ 3.87Å; C492-F495 VanDerWaalsContact O-CZ 3.29Å; C492-F495 WeakPolarHBondContact O-CZ 3.3Å; F495-L499 CarbonylContact C-O 3.56Å; F495-L499 VanDerWaalsContact CA-O 3.26Å; F495-L499 WeakPolarHBondContact CA-O 3.29Å
496	E	94.2	Very high	94.7	Very high	78 Å²	78	48.2 Å²	48.2	36%	0.364	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-121.7	109.3	170.7	176	169.4	-167.2	0	0	107.9	H142 L475 G498 L499	H142-E496 IonicContact CD2-OE1 2.92Å; H142-E496 IonicContact NE2-OE1 3.64Å; H142-E496 PolarHBondContact NE2-OE1 3.09Å; L475-E496 HydrophobicContact CD1-CB 4.44Å; L475-E496 HydrophobicContact CD1-CG 4.31Å; L475-E496 HydrophobicContact CD2-CB 4.41Å; E496-G498 PolarHBondContact O-N 3.07Å; E496-L499 PolarHBondContact N-O 2.8Å; E496-L499 WeakPolarHBondContact O-CB 3.32Å; E496-L499 PolarHBondContact O-N 2.87Å
497	Y	96	Very high	94.6	Very high	141 Å²	141	53.5 Å²	53.5	55%	0.553	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.2	-173.9	-60.8	-91.2	0	0	0	113.6	H142 L499	H142-Y497 HydrophobicContact CB-CD2 4.39Å; H142-Y497 HydrophobicContact CB-CG 4.27Å; H142-Y497 AromaticContact CD2-CD2 3.46Å; H142-Y497 VanDerWaalsContact CD2-CD2 3.46Å; H142-Y497 WeakPolarHBondContact CD2-CD2 3.3Å; Y497-L499 VanDerWaalsContact C-N 3.26Å; Y497-L499 PolarHBondContact O-N 2.93Å
498	G	95	Very high	94.6	Very high	40 Å²	40	50 Å²	50	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-7	-178.3	0	0	0	0	0	115	E496	E496-G498 PolarHBondContact O-N 3.07Å
499	L	97.2	Very high	94.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-92.2	146.2	178.2	-50.8	176.5	0	0	0	111.5	H142 Y467 L475 R477 F495 E496 Y497	H142-L499 HydrophobicContact CB-CD1 4.15Å; Y467-L499 HydrophobicContact CD2-CD1 4.2Å; Y467-L499 HydrophobicContact CD2-CD2 4.21Å; Y467-L499 HydrophobicContact CE2-CD2 4.33Å; Y467-L499 HydrophobicContact CG-CD1 4.16Å; L475-L499 HydrophobicContact CB-CB 3.78Å; L475-L499 HydrophobicContact CB-CD1 3.94Å; L475-L499 HydrophobicContact CD1-CB 4.19Å; L475-L499 HydrophobicContact CD1-CD1 3.79Å; L475-L499 HydrophobicContact CG-CB 4.46Å; R477-L499 HydrophobicContact CB-CD2 3.78Å; R477-L499 HydrophobicContact CG-CD2 3.93Å; F495-L499 CarbonylContact C-O 3.56Å; F495-L499 VanDerWaalsContact CA-O 3.26Å; F495-L499 WeakPolarHBondContact CA-O 3.29Å; E496-L499 PolarHBondContact N-O 2.8Å; E496-L499 WeakPolarHBondContact O-CB 3.32Å; E496-L499 PolarHBondContact O-N 2.87Å; Y497-L499 VanDerWaalsContact C-N 3.26Å; Y497-L499 PolarHBondContact O-N 2.93Å
500	C	96.6	Very high	94.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.7	-177.5	172.4	0	0	0	0	111.2	L475 L476 T486 C492 L502	L475-C500 CarbonylContact C-O 3.28Å; L475-C500 WeakPolarHBondContact CA-O 3.38Å; L476-C500 HydrophobicContact CB-CB 4.48Å; L476-C500 WeakPolarHBondContact CB-O 3.39Å; L476-C500 PolarHBondContact N-O 2.91Å; L476-C500 WeakPolarHBondContact O-CB 3.42Å; L476-C500 PolarHBondContact O-N 3.49Å; T486-C500 HydrophobicContact CG2-CB 3.71Å; C492-C500 WeakPolarHBondContact CA-SG 3.44Å; C492-C500 HydrophobicContact CB-CB 3.66Å; C492-C500 WeakPolarHBondContact CB-SG 3.5Å; C492-C500 WeakPolarHBondContact SG-CB 3.22Å; C492-C500 CovalentContact SG-SG 2.03Å; C492-C500 PolarHBondContact SG-SG 3.46Å; C500-L502 PolarHBondContact O-N 2.97Å
501	P	96.2	Very high	93.9	Very high	28 Å²	28	56.9 Å²	56.9	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	133.3	175.3	-26.6	36.1	0	0	0	112.3	S494 S503 G504	S494-P501 WeakPolarHBondContact O-CD 3.37Å; P501-S503 PolarHBondContact O-N 3.4Å; P501-S503 VanDerWaalsContact O-N 3.1Å; P501-G504 PolarHBondContact O-N 3.41Å
502	L	95	Very high	93.8	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.052	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-27.5	-178.3	-176	68.7	0	0	0	112.8	A422 R474 C500 G504 L505 Q506	A422-L502 HydrophobicContact CB-CD1 3.51Å; A422-L502 HydrophobicContact CB-CD2 3.47Å; A422-L502 VanDerWaalsContact CB-CD2 3.47Å; A422-L502 HydrophobicContact CB-CG 4.1Å; A422-L502 WeakPolarHBondContact O-CD2 3.36Å; R474-L502 HydrophobicContact CB-CB 3.94Å; R474-L502 HydrophobicContact CB-CD2 3.73Å; R474-L502 HydrophobicContact CB-CG 4.48Å; R474-L502 HydrophobicContact CG-CD2 4.47Å; R474-L502 WeakPolarHBondContact O-CB 3.42Å; R474-L502 PolarHBondContact O-N 3.25Å; C500-L502 PolarHBondContact O-N 2.97Å; L502-G504 PolarHBondContact O-N 3.04Å; L502-L505 HydrophobicContact CD1-CB 4.43Å; L502-L505 HydrophobicContact CD1-CD2 3.98Å; L502-L505 WeakPolarHBondContact O-CB 3.44Å; L502-L505 PolarHBondContact O-N 3.01Å; L502-Q506 PolarHBondContact O-N 2.72Å
503	S	94	Very high	93.6	Very high	73 Å²	73	56.7 Å²	56.7	51%	0.51	29%	0.292	S	S	.	.	H	α-helix	trans	-56.5	-29.6	174.9	53.9	0	0	0	0	113.3	P501 Q506 E507	P501-S503 PolarHBondContact O-N 3.4Å; P501-S503 VanDerWaalsContact O-N 3.1Å; S503-Q506 PolarHBondContact O-N 3.38Å; S503-E507 WeakPolarHBondContact O-CB 3.2Å; S503-E507 PolarHBondContact O-N 3.37Å
504	G	94.9	Very high	93.5	Very high	11 Å²	11	49.6 Å²	49.6	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-41.4	174.4	0	0	0	0	0	112.3	P501 L502 F508	P501-G504 PolarHBondContact O-N 3.41Å; L502-G504 PolarHBondContact O-N 3.04Å; G504-F508 VanDerWaalsContact O-CB 3.31Å; G504-F508 WeakPolarHBondContact O-CB 3.47Å; G504-F508 PolarHBondContact O-N 3.37Å
505	L	95.5	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-43.7	174.1	174.9	67.5	0	0	0	111.1	L418 L476 F491 L502 F508 L509	L418-L505 HydrophobicContact CB-CD2 4.3Å; L418-L505 HydrophobicContact CD2-CD1 4.44Å; L418-L505 HydrophobicContact CD2-CD2 3.52Å; L418-L505 HydrophobicContact CG-CD2 3.56Å; L476-L505 HydrophobicContact CD2-CB 4.36Å; L476-L505 HydrophobicContact CD2-CD2 4.41Å; F491-L505 HydrophobicContact CD2-CB 4.3Å; F491-L505 HydrophobicContact CE1-CD1 4.01Å; F491-L505 HydrophobicContact CE2-CB 3.8Å; F491-L505 HydrophobicContact CE2-CD1 4.23Å; F491-L505 HydrophobicContact CZ-CB 4.17Å; F491-L505 HydrophobicContact CZ-CD1 3.71Å; L502-L505 HydrophobicContact CD1-CB 4.43Å; L502-L505 HydrophobicContact CD1-CD2 3.98Å; L502-L505 WeakPolarHBondContact O-CB 3.44Å; L502-L505 PolarHBondContact O-N 3.01Å; L505-F508 WeakPolarHBondContact O-CB 3.26Å; L505-F508 PolarHBondContact O-N 3.31Å; L505-L509 HydrophobicContact CD1-CD1 3.98Å; L505-L509 HydrophobicContact CD1-CG 4.02Å; L505-L509 HydrophobicContact CD2-CD1 4.41Å; L505-L509 HydrophobicContact CG-CD1 3.87Å; L505-L509 HydrophobicContact CG-CG 4.31Å; L505-L509 WeakPolarHBondContact O-CB 3.39Å; L505-L509 WeakPolarHBondContact O-CG 3.33Å; L505-L509 PolarHBondContact O-N 3.16Å
506	Q	93.8	Very high	92.9	Very high	74 Å²	74	49.3 Å²	49.3	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-44.1	-179.4	-69.6	174.1	-37.8	0	0	112	E423 L502 S503 F508 L509 K510	E423-Q506 PolarHBondContact OE1-NE2 3.17Å; L502-Q506 PolarHBondContact O-N 2.72Å; S503-Q506 PolarHBondContact O-N 3.38Å; Q506-F508 VanDerWaalsContact C-N 3.31Å; Q506-F508 PolarHBondContact O-N 2.76Å; Q506-L509 PolarHBondContact O-N 2.86Å; Q506-K510 WeakPolarHBondContact O-CB 3.09Å; Q506-K510 PolarHBondContact O-N 3.14Å; Q506-K510 VanDerWaalsContact O-N 3.09Å
507	E	93.1	Very high	92.5	Very high	111 Å²	111	45.8 Å²	45.8	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-43.2	174.2	-171.6	-172.3	161.2	0	0	110.9	K493 S503 K510 I511	K493-E507 IonicContact NZ-OE1 3.94Å; K493-E507 PolarHBondContact NZ-OE1 3.16Å; K493-E507 IonicContact NZ-OE2 3.27Å; S503-E507 WeakPolarHBondContact O-CB 3.2Å; S503-E507 PolarHBondContact O-N 3.37Å; E507-K510 PolarHBondContact O-N 3.05Å; E507-I511 PolarHBondContact O-N 3.35Å
508	F	94.6	Very high	91.8	Very high	19 Å²	19	42 Å²	42	8%	0.083	25%	0.245	C	C	.	.	I	π-helix	trans	-63.2	-46	178	-177.8	-110.2	0	0	0	112.9	L415 I445 I446 F491 G504 L505 Q506 K510 I511 G512 I513	L415-F508 HydrophobicContact CD1-CE1 4.43Å; I445-F508 HydrophobicContact CG2-CE1 3.91Å; I445-F508 HydrophobicContact CG2-CZ 3.57Å; I446-F508 HydrophobicContact CG2-CE1 4.45Å; F491-F508 HydrophobicContact CB-CB 3.58Å; F491-F508 HydrophobicContact CB-CD2 4.06Å; F491-F508 HydrophobicContact CB-CG 3.86Å; F491-F508 HydrophobicContact CD1-CB 3.92Å; F491-F508 AromaticContact CD1-CD1 3.53Å; F491-F508 HydrophobicContact CD1-CD1 3.53Å; F491-F508 HydrophobicContact CD1-CD2 4.2Å; F491-F508 HydrophobicContact CD1-CE1 4.07Å; F491-F508 AromaticContact CD1-CG 3.61Å; F491-F508 HydrophobicContact CD1-CG 3.61Å; F491-F508 HydrophobicContact CE1-CD1 4.01Å; F491-F508 HydrophobicContact CE1-CE1 4.42Å; F491-F508 HydrophobicContact CE1-CG 4.49Å; F491-F508 HydrophobicContact CG-CB 3.87Å; F491-F508 HydrophobicContact CG-CD1 4.35Å; F491-F508 HydrophobicContact CG-CG 4.03Å; G504-F508 VanDerWaalsContact O-CB 3.31Å; G504-F508 WeakPolarHBondContact O-CB 3.47Å; G504-F508 PolarHBondContact O-N 3.37Å; L505-F508 WeakPolarHBondContact O-CB 3.26Å; L505-F508 PolarHBondContact O-N 3.31Å; Q506-F508 VanDerWaalsContact C-N 3.31Å; Q506-F508 PolarHBondContact O-N 2.76Å; F508-K510 VanDerWaalsContact C-N 3.26Å; F508-K510 PolarHBondContact O-N 2.9Å; F508-I511 PolarHBondContact O-N 3.49Å; F508-G512 CarbonylContact O-C 3.6Å; F508-G512 PolarHBondContact O-N 2.8Å; F508-I513 HydrophobicContact CD1-CB 4.14Å; F508-I513 HydrophobicContact CE1-CB 3.68Å; F508-I513 HydrophobicContact CE1-CD1 4.13Å; F508-I513 HydrophobicContact CE1-CG1 3.78Å; F508-I513 HydrophobicContact CE2-CB 4.23Å; F508-I513 HydrophobicContact CZ-CB 3.74Å; F508-I513 HydrophobicContact CZ-CG1 3.85Å; F508-I513 PolarHBondContact O-N 3.16Å
509	L	92.5	Very high	91.2	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.115	23%	0.232	C	C	.	.	I	π-helix	trans	-65.7	-29.3	178.4	-74.9	173.6	0	0	0	113	Y412 L415 L505 Q506 F514	Y412-L509 HydrophobicContact CD2-CD2 4.26Å; Y412-L509 HydrophobicContact CE2-CD2 4.26Å; L415-L509 HydrophobicContact CB-CD2 3.72Å; L415-L509 WeakPolarHBondContact O-CD1 3.1Å; L505-L509 HydrophobicContact CD1-CD1 3.98Å; L505-L509 HydrophobicContact CD1-CG 4.02Å; L505-L509 HydrophobicContact CD2-CD1 4.41Å; L505-L509 HydrophobicContact CG-CD1 3.87Å; L505-L509 HydrophobicContact CG-CG 4.31Å; L505-L509 WeakPolarHBondContact O-CB 3.39Å; L505-L509 WeakPolarHBondContact O-CG 3.33Å; L505-L509 PolarHBondContact O-N 3.16Å; Q506-L509 PolarHBondContact O-N 2.86Å; L509-F514 VanDerWaalsContact O-CE2 3.28Å; L509-F514 WeakPolarHBondContact O-CE2 3.33Å
510	K	88.8	Confident	90	Very high	158 Å²	158	48.4 Å²	48.4	69%	0.687	26%	0.261	S	S	*	.	I	π-helix	trans	-75.2	-40.4	-179.9	-170.1	-178	178.3	178.3	0	112.7	Q506 E507 F508	Q506-K510 WeakPolarHBondContact O-CB 3.09Å; Q506-K510 PolarHBondContact O-N 3.14Å; Q506-K510 VanDerWaalsContact O-N 3.09Å; E507-K510 PolarHBondContact O-N 3.05Å; F508-K510 VanDerWaalsContact C-N 3.26Å; F508-K510 PolarHBondContact O-N 2.9Å
511	I	86.2	Confident	88.7	Confident	84 Å²	84	49.7 Å²	49.7	43%	0.431	27%	0.27	S	S	.	.	I	π-helix	trans	-134.7	-57.5	-171.1	-56.8	177.9	0	0	0	111	E507 F508 I513 F514 E515	E507-I511 PolarHBondContact O-N 3.35Å; F508-I511 PolarHBondContact O-N 3.49Å; I511-I513 VanDerWaalsContact C-N 3.32Å; I511-I513 PolarHBondContact O-N 3.41Å; I511-F514 PolarHBondContact O-N 3.31Å; I511-E515 HydrophobicContact CG2-CG 3.97Å; I511-E515 VanDerWaalsContact CG2-OE1 3.3Å; I511-E515 WeakPolarHBondContact CG2-OE1 3.4Å; I511-E515 PolarHBondContact O-N 3.12Å
512	G	89.9	Confident	87.5	Confident	17 Å²	17	48.9 Å²	48.9	18%	0.175	26%	0.263	C	S	.	.	I	π-helix	trans	-59.6	-35.3	-165.7	0	0	0	0	0	115.1	F508 F514 E515 V516	F508-G512 CarbonylContact O-C 3.6Å; F508-G512 PolarHBondContact O-N 2.8Å; G512-F514 VanDerWaalsContact C-N 3.32Å; G512-F514 PolarHBondContact O-N 3.26Å; G512-E515 PolarHBondContact O-N 2Å; G512-V516 WeakPolarHBondContact O-CG2 2.87Å; G512-V516 PolarHBondContact O-N 2.97Å
513	I	91.1	Very high	86.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-35.6	179.5	-161.9	179.2	0	0	0	111.9	V408 Y412 L415 I445 F508 I511	V408-I513 HydrophobicContact CG1-CG1 4.17Å; V408-I513 WeakPolarHBondContact CG1-O 3.21Å; V408-I513 VanDerWaalsContact CG2-O 3.26Å; V408-I513 WeakPolarHBondContact CG2-O 3.05Å; Y412-I513 HydrophobicContact CD2-CD1 4.13Å; Y412-I513 HydrophobicContact CD2-CG2 4.3Å; L415-I513 HydrophobicContact CD1-CD1 3.84Å; I445-I513 HydrophobicContact CG2-CD1 4.15Å; I445-I513 HydrophobicContact CG2-CG1 3.8Å; F508-I513 HydrophobicContact CD1-CB 4.14Å; F508-I513 HydrophobicContact CE1-CB 3.68Å; F508-I513 HydrophobicContact CE1-CD1 4.13Å; F508-I513 HydrophobicContact CE1-CG1 3.78Å; F508-I513 HydrophobicContact CE2-CB 4.23Å; F508-I513 HydrophobicContact CZ-CB 3.74Å; F508-I513 HydrophobicContact CZ-CG1 3.85Å; F508-I513 PolarHBondContact O-N 3.16Å; I511-I513 VanDerWaalsContact C-N 3.32Å; I511-I513 PolarHBondContact O-N 3.41Å
514	F	89.6	Confident	84.5	Confident	5 Å²	5	57 Å²	57	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-77.4	-36.2	-179.3	-61.3	-58.2	0	0	0	111.6	V408 Y412 L509 I511 G512 V516 A517 G518 F519 F522	V408-F514 HydrophobicContact CG1-CD1 4.29Å; Y412-F514 HydrophobicContact CD2-CE1 4.22Å; Y412-F514 AromaticContact CD2-CZ 3.81Å; Y412-F514 HydrophobicContact CD2-CZ 3.81Å; Y412-F514 HydrophobicContact CE2-CE1 4.28Å; Y412-F514 HydrophobicContact CE2-CE2 4.22Å; Y412-F514 AromaticContact CE2-CZ 3.45Å; Y412-F514 HydrophobicContact CE2-CZ 3.45Å; Y412-F514 VanDerWaalsContact CE2-CZ 3.45Å; Y412-F514 AromaticContact CZ-CZ 3.91Å; L509-F514 VanDerWaalsContact O-CE2 3.28Å; L509-F514 WeakPolarHBondContact O-CE2 3.33Å; I511-F514 PolarHBondContact O-N 3.31Å; G512-F514 VanDerWaalsContact C-N 3.32Å; G512-F514 PolarHBondContact O-N 3.26Å; F514-V516 PolarHBondContact O-N 2.82Å; F514-A517 CarbonylContact O-C 3.57Å; F514-A517 PolarHBondContact O-N 3.27Å; F514-G518 PolarHBondContact O-N 2.91Å; F514-G518 VanDerWaalsContact O-N 3.08Å; F514-F519 CarbonylContact C-O 3.55Å; F514-F519 VanDerWaalsContact C-O 3.28Å; F514-F519 HydrophobicContact CB-CB 4.01Å; F514-F519 WeakPolarHBondContact CB-O 3.5Å; F514-F519 HydrophobicContact CD1-CB 4.42Å; F514-F519 PolarHBondContact O-N 2.81Å; F514-F522 HydrophobicContact CE1-CB 3.77Å; F514-F522 AromaticContact CE1-CD2 3.91Å; F514-F522 HydrophobicContact CE1-CD2 3.91Å; F514-F522 HydrophobicContact CE1-CG 4.36Å; F514-F522 HydrophobicContact CE2-CB 4.46Å; F514-F522 HydrophobicContact CZ-CB 3.56Å; F514-F522 HydrophobicContact CZ-CD2 4.22Å; F514-F522 HydrophobicContact CZ-CG 4.36Å
515	E	88.4	Confident	82.8	Confident	131 Å²	131	59.4 Å²	59.4	61%	0.612	30%	0.301	S	S	*	.	H	α-helix	trans	-57.1	-35.4	173.8	-70.2	-178.3	158.1	0	0	112.3	I511 G512 A517 G518	I511-E515 HydrophobicContact CG2-CG 3.97Å; I511-E515 VanDerWaalsContact CG2-OE1 3.3Å; I511-E515 WeakPolarHBondContact CG2-OE1 3.4Å; I511-E515 PolarHBondContact O-N 3.12Å; G512-E515 PolarHBondContact O-N 2Å; E515-A517 PolarHBondContact O-N 3.36Å; E515-G518 PolarHBondContact O-N 2.96Å
516	V	87.5	Confident	81.4	Confident	30 Å²	30	59.6 Å²	59.6	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-55.6	-40.8	176.4	173.8	0	0	0	0	111.6	F396 R404 V408 I445 G512 F514	F396-V516 HydrophobicContact CE2-CG1 4.25Å; F396-V516 HydrophobicContact CZ-CG1 3.73Å; R404-V516 WeakPolarHBondContact CD-O 3.46Å; R404-V516 PolarHBondContact NH1-O 2.83Å; V408-V516 HydrophobicContact CG2-CB 3.96Å; V408-V516 HydrophobicContact CG2-CG1 3.97Å; I445-V516 HydrophobicContact CD1-CG1 3.8Å; G512-V516 WeakPolarHBondContact O-CG2 2.87Å; G512-V516 PolarHBondContact O-N 2.97Å; F514-V516 PolarHBondContact O-N 2.82Å
517	A	85.8	Confident	80.5	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-92.6	-1.8	179.3	0	0	0	0	0	114.2	Q405 V408 F514 E515 F519	Q405-A517 HydrophobicContact CG-CB 4.25Å; V408-A517 HydrophobicContact CB-CB 3.86Å; V408-A517 HydrophobicContact CG1-CB 4.19Å; V408-A517 HydrophobicContact CG2-CB 3.62Å; F514-A517 CarbonylContact O-C 3.57Å; F514-A517 PolarHBondContact O-N 3.27Å; E515-A517 PolarHBondContact O-N 3.36Å; A517-F519 VanDerWaalsContact C-N 3.32Å; A517-F519 HydrophobicContact CB-CD2 3.34Å; A517-F519 HydrophobicContact CB-CE2 3.36Å; A517-F519 HydrophobicContact CB-CG 4.11Å; A517-F519 HydrophobicContact CB-CZ 4.17Å
518	G	83	Confident	79.1	Confident	62 Å²	62	58.3 Å²	58.3	64%	0.639	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	21.7	-173.8	0	0	0	0	0	113.9	F514 E515	F514-G518 PolarHBondContact O-N 2.91Å; F514-G518 VanDerWaalsContact O-N 3.08Å; E515-G518 PolarHBondContact O-N 2.96Å
519	F	81.1	Confident	77.1	Confident	33 Å²	33	61.2 Å²	61.2	15%	0.145	31%	0.314	C	S	.	.			trans	-93.3	155.3	174.1	-57.2	-44.9	0	0	0	110.9	Q405 V408 F514 A517 T526	Q405-F519 HydrophobicContact CB-CE2 3.99Å; Q405-F519 HydrophobicContact CB-CZ 3.61Å; Q405-F519 HydrophobicContact CG-CE1 4.12Å; Q405-F519 HydrophobicContact CG-CE2 4.08Å; Q405-F519 HydrophobicContact CG-CZ 3.48Å; Q405-F519 VanDerWaalsContact CG-CZ 3.48Å; V408-F519 HydrophobicContact CG1-CD2 4.43Å; F514-F519 CarbonylContact C-O 3.55Å; F514-F519 VanDerWaalsContact C-O 3.28Å; F514-F519 HydrophobicContact CB-CB 4.01Å; F514-F519 WeakPolarHBondContact CB-O 3.5Å; F514-F519 HydrophobicContact CD1-CB 4.42Å; F514-F519 PolarHBondContact O-N 2.81Å; A517-F519 VanDerWaalsContact C-N 3.32Å; A517-F519 HydrophobicContact CB-CD2 3.34Å; A517-F519 HydrophobicContact CB-CE2 3.36Å; A517-F519 HydrophobicContact CB-CG 4.11Å; A517-F519 HydrophobicContact CB-CZ 4.17Å; F519-T526 HydrophobicContact CD1-CG2 4.45Å; F519-T526 HydrophobicContact CD2-CG2 3.42Å; F519-T526 VanDerWaalsContact CD2-CG2 3.42Å; F519-T526 HydrophobicContact CE1-CG2 4.38Å; F519-T526 HydrophobicContact CE2-CG2 3.36Å; F519-T526 HydrophobicContact CG-CG2 3.99Å; F519-T526 HydrophobicContact CZ-CG2 3.85Å
520	K	72	Confident	75.1	Confident	144 Å²	144	64.2 Å²	64.2	63%	0.626	33%	0.327	S	S	*	.	S	Bend	trans	-84.8	-42.1	171.6	-66	-177.2	-170	131.3	0	113.6	E525	K520-E525 WeakPolarHBondContact CD-OE1 3.42Å; K520-E525 WeakPolarHBondContact CE-OE1 3.22Å; K520-E525 IonicContact NZ-OE1 3.96Å; K520-E525 PolarHBondContact NZ-OE1 2.95Å
521	S	69.6	Low	73.3	Confident	28 Å²	28	62 Å²	62	20%	0.196	32%	0.315	C	S	.	.			trans	-160.8	162.2	-177	69.3	0	0	0	0	110.5	E523 E524 T526	S521-E523 PolarHBondContact O-N 3.11Å; S521-E524 VanDerWaalsContact OG-CB 3.31Å; S521-E524 WeakPolarHBondContact OG-CB 3.41Å; S521-E524 WeakPolarHBondContact OG-CG 3.44Å; S521-E524 PolarHBondContact OG-N 3.26Å; S521-E524 PolarHBondContact OG-OE2 3.17Å; S521-T526 PolarHBondContact O-OG1 2.92Å
522	F	71.5	Confident	71.1	Confident	10 Å²	10	62.2 Å²	62.2	4%	0.044	32%	0.32	C	S	.	.	I	π-helix	trans	-57.7	-47.1	178.7	-164.8	-104.9	0	0	0	113.2	E300 C301 C303 L409 Y412 F514 T526 C527	E300-F522 WeakPolarHBondContact O-CD1 3.06Å; E300-F522 WeakPolarHBondContact O-CE1 3.36Å; C301-F522 VanDerWaalsContact CA-CE1 3.5Å; C301-F522 HydrophobicContact CB-CZ 4.38Å; C301-F522 WeakPolarHBondContact O-CZ 3.41Å; C303-F522 HydrophobicContact CB-CZ 4.42Å; C303-F522 WeakPolarHBondContact SG-CE1 3.43Å; C303-F522 WeakPolarHBondContact SG-CZ 2.95Å; L409-F522 HydrophobicContact CD2-CD2 3.97Å; L409-F522 HydrophobicContact CD2-CE2 3.47Å; L409-F522 VanDerWaalsContact CD2-CE2 3.47Å; L409-F522 HydrophobicContact CD2-CZ 4.31Å; Y412-F522 AromaticContact CD1-CD2 3.27Å; Y412-F522 HydrophobicContact CD1-CD2 3.27Å; Y412-F522 HydrophobicContact CD1-CE1 4.41Å; Y412-F522 AromaticContact CD1-CE2 3.1Å; Y412-F522 HydrophobicContact CD1-CE2 3.1Å; Y412-F522 HydrophobicContact CD1-CG 4Å; Y412-F522 AromaticContact CD1-CZ 3.71Å; Y412-F522 HydrophobicContact CD1-CZ 3.71Å; Y412-F522 HydrophobicContact CD2-CD2 4.5Å; Y412-F522 HydrophobicContact CE1-CB 4.16Å; Y412-F522 AromaticContact CE1-CD1 3.96Å; Y412-F522 HydrophobicContact CE1-CD1 3.96Å; Y412-F522 AromaticContact CE1-CD2 3.33Å; Y412-F522 HydrophobicContact CE1-CD2 3.33Å; Y412-F522 HydrophobicContact CE1-CE1 4.13Å; Y412-F522 AromaticContact CE1-CE2 3.53Å; Y412-F522 HydrophobicContact CE1-CE2 3.53Å; Y412-F522 AromaticContact CE1-CG 3.54Å; Y412-F522 HydrophobicContact CE1-CG 3.54Å; Y412-F522 AromaticContact CE1-CZ 3.89Å; Y412-F522 HydrophobicContact CE1-CZ 3.89Å; Y412-F522 AromaticContact CG-CD2 3.87Å; Y412-F522 HydrophobicContact CG-CD2 3.87Å; Y412-F522 AromaticContact CG-CE2 3.88Å; Y412-F522 HydrophobicContact CG-CE2 3.88Å; F514-F522 HydrophobicContact CE1-CB 3.77Å; F514-F522 AromaticContact CE1-CD2 3.91Å; F514-F522 HydrophobicContact CE1-CD2 3.91Å; F514-F522 HydrophobicContact CE1-CG 4.36Å; F514-F522 HydrophobicContact CE2-CB 4.46Å; F514-F522 HydrophobicContact CZ-CB 3.56Å; F514-F522 HydrophobicContact CZ-CD2 4.22Å; F514-F522 HydrophobicContact CZ-CG 4.36Å; F522-T526 WeakPolarHBondContact O-CB 3.42Å; F522-T526 PolarHBondContact O-N 2.66Å; F522-T526 PolarHBondContact O-OG1 2.73Å; F522-C527 PolarHBondContact O-N 2.92Å
523	E	65.8	Low	68.6	Low	131 Å²	131	67.9 Å²	67.9	61%	0.612	34%	0.342	S	S	*	.	I	π-helix	trans	-85.9	-34.5	-168.6	-65.2	170.9	175.1	0	0	113.6	S521 K528	S521-E523 PolarHBondContact O-N 3.11Å; E523-K528 WeakPolarHBondContact O-CE 3.4Å
524	E	59.3	Low	66.1	Low	124 Å²	124	73.1 Å²	73.1	58%	0.579	37%	0.369	S	S	*	.	I	π-helix	trans	-81.4	-32	-166.7	-65.8	-178.7	141.2	0	0	113.4	S521	S521-E524 VanDerWaalsContact OG-CB 3.31Å; S521-E524 WeakPolarHBondContact OG-CB 3.41Å; S521-E524 WeakPolarHBondContact OG-CG 3.44Å; S521-E524 PolarHBondContact OG-N 3.26Å; S521-E524 PolarHBondContact OG-OE2 3.17Å
525	E	60.1	Low	63.8	Low	60 Å²	60	80 Å²	80	28%	0.28	41%	0.405	S	S	.	.	I	π-helix	trans	-132	-19.7	-177.6	-67	-179.8	176	0	0	113.2	K520 H530	K520-E525 WeakPolarHBondContact CD-OE1 3.42Å; K520-E525 WeakPolarHBondContact CE-OE1 3.22Å; K520-E525 IonicContact NZ-OE1 3.96Å; K520-E525 PolarHBondContact NZ-OE1 2.95Å; E525-H530 PolarHBondContact O-NE2 3.37Å
526	T	66.4	Low	61.2	Low	4 Å²	4	81.1 Å²	81.1	3%	0.025	41%	0.414	C	S	.	.	I	π-helix	trans	-88	-33.8	-163.8	-44.5	0	0	0	0	113.4	L409 F519 S521 F522	L409-T526 HydrophobicContact CD1-CG2 3.71Å; L409-T526 HydrophobicContact CD2-CG2 3.23Å; L409-T526 HydrophobicContact CG-CG2 3.45Å; L409-T526 VanDerWaalsContact CG-CG2 3.45Å; F519-T526 HydrophobicContact CD1-CG2 4.45Å; F519-T526 HydrophobicContact CD2-CG2 3.42Å; F519-T526 VanDerWaalsContact CD2-CG2 3.42Å; F519-T526 HydrophobicContact CE1-CG2 4.38Å; F519-T526 HydrophobicContact CE2-CG2 3.36Å; F519-T526 HydrophobicContact CG-CG2 3.99Å; F519-T526 HydrophobicContact CZ-CG2 3.85Å; S521-T526 PolarHBondContact O-OG1 2.92Å; F522-T526 WeakPolarHBondContact O-CB 3.42Å; F522-T526 PolarHBondContact O-N 2.66Å; F522-T526 PolarHBondContact O-OG1 2.73Å
527	C	73.7	Confident	58.4	Low	34 Å²	34	89.4 Å²	89.4	23%	0.23	46%	0.456	C	S	.	.	S	Bend	trans	-115.6	1.4	-174.2	-57.6	0	0	0	0	114.7	C303 F522	C303-C527 HydrophobicContact CB-CB 3.77Å; C303-C527 WeakPolarHBondContact CB-SG 3.35Å; C303-C527 WeakPolarHBondContact SG-CB 3.04Å; C303-C527 CovalentContact SG-SG 1.99Å; C303-C527 PolarHBondContact SG-SG 2.78Å; F522-C527 PolarHBondContact O-N 2.92Å
528	K	63.3	Low	57.1	Low	125 Å²	125	93.7 Å²	93.7	54%	0.543	48%	0.478	S	S	.	.	S	Bend	trans	-83.5	125	169.3	-67.3	-179.7	-174.3	169.1	0	109	E523 H530	E523-K528 WeakPolarHBondContact O-CE 3.4Å; K528-H530 VanDerWaalsContact C-N 3.3Å; K528-H530 PolarHBondContact O-CD2 3.04Å; K528-H530 PolarHBondContact O-N 3.47Å
529	D	54.1	Low	55.7	Low	79 Å²	79	95.3 Å²	95.3	42%	0.422	47%	0.469	S	S	.	.			trans	-72.7	85.2	175.4	-174.8	4.3	0	0	0	110.5	R531 T532	D529-R531 PolarHBondContact O-N 2.84Å; D529-R531 WeakPolarHBondContact OD1-CA 3.47Å; D529-R531 WeakPolarHBondContact OD1-CB 3.06Å; D529-R531 PolarHBondContact OD1-N 2.05Å; D529-T532 PolarHBondContact O-N 3.26Å; D529-T532 PolarHBondContact O-OG1 2.83Å; D529-T532 PolarHBondContact OD2-OG1 2.84Å
530	H	50.3	Low	54.3	Low	85 Å²	85	98.8 Å²	98.8	39%	0.394	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-10.9	174.9	-66.9	-65.2	0	0	0	113.4	E525 K528 T532 E533 L534	E525-H530 PolarHBondContact O-NE2 3.37Å; K528-H530 VanDerWaalsContact C-N 3.3Å; K528-H530 PolarHBondContact O-CD2 3.04Å; K528-H530 PolarHBondContact O-N 3.47Å; H530-T532 VanDerWaalsContact C-N 3.27Å; H530-T532 PolarHBondContact O-N 3.42Å; H530-E533 IonicContact ND1-OE2 3.6Å; H530-E533 PolarHBondContact O-N 3.03Å; H530-L534 PolarHBondContact O-N 3.41Å
531	R	49.7	Very low	53.3	Low	113 Å²	113	96.1 Å²	96.1	43%	0.426	48%	0.479	S	S	.	.	H	α-helix	trans	-74.6	-20	174.6	-53.6	-176.7	-169.8	-174.8	2.9	112.1	T309 D529 E533 L534	T309-R531 VanDerWaalsContact CG2-NH1 3.32Å; D529-R531 PolarHBondContact O-N 2.84Å; D529-R531 WeakPolarHBondContact OD1-CA 3.47Å; D529-R531 WeakPolarHBondContact OD1-CB 3.06Å; D529-R531 PolarHBondContact OD1-N 2.05Å; R531-E533 VanDerWaalsContact C-N 3.3Å; R531-L534 PolarHBondContact O-N 2.82Å
532	T	41.3	Very low	52.2	Low	88 Å²	88	100.4 Å²	100.4	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-70.7	-29.8	173.6	-43.6	0	0	0	0	111.4	D529 H530	D529-T532 PolarHBondContact O-N 3.26Å; D529-T532 PolarHBondContact O-OG1 2.83Å; D529-T532 PolarHBondContact OD2-OG1 2.84Å; H530-T532 VanDerWaalsContact C-N 3.27Å; H530-T532 PolarHBondContact O-N 3.42Å
533	E	37.8	Very low	51	Low	136 Å²	136	106.4 Å²	106.4	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-76.5	-24.8	175.7	-67.5	-179.6	153.1	0	0	112.5	H530 R531 L536	H530-E533 IonicContact ND1-OE2 3.6Å; H530-E533 PolarHBondContact O-N 3.03Å; R531-E533 VanDerWaalsContact C-N 3.3Å; E533-L536 PolarHBondContact O-N 3.09Å
534	L	37.8	Very low	49.9	Very low	109 Å²	109	104.6 Å²	104.6	57%	0.571	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.1	179.8	-96.4	146.4	0	0	0	114.8	H530 R531 L536	H530-L534 PolarHBondContact O-N 3.41Å; R531-L534 PolarHBondContact O-N 2.82Å; L534-L536 VanDerWaalsContact C-N 3.3Å
535	I	40.4	Very low	49.2	Very low	149 Å²	149	103.2 Å²	103.2	76%	0.764	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.9	170.2	-65.9	173	0	0	0	111
536	L	33.9	Very low	48.3	Very low	155 Å²	155	106.8 Å²	106.8	81%	0.812	54%	0.536	S	S	*	.			trans	-105.3	10.6	175.8	-72.6	166.4	0	0	0	113.9	E533 L534	E533-L536 PolarHBondContact O-N 3.09Å; L534-L536 VanDerWaalsContact C-N 3.3Å
537	L	30.4	Very low	46.6	Very low	204 Å²	204	116.1 Å²	116.1	100%	1.068	58%	0.582	S	S	*	*			trans	-125.8	0	169	-72.2	171.4	0	0	0	109.7

Retrieved 537 of 537 residues in 193.5 ms (Link to these results)

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