A0A3Q0KSD5_SCHMA Loading...

Protein phosphatase 1 binding protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 715 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	34.9	Very low	233 Å²	233	152.5 Å²	152.5	100%	1.148	84%	0.838	S	S	*	*				0	-4.8	0	-85.1	-59	-170.6	0	0	115.1	T3	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.26Å; M1-T3 VanDerWaalsContact O-N 3.12Å
2	G	35.7	Very low	35.1	Very low	79 Å²	79	145.5 Å²	145.5	81%	0.814	83%	0.827	S	S	*	*			trans	-75.2	7	-174.2	0	0	0	0	0	117.8
3	T	32.3	Very low	34.9	Very low	138 Å²	138	143.9 Å²	143.9	85%	0.847	83%	0.831	S	S	*	*	S	Bend	trans	-100.5	17	-157.3	-21.6	0	0	0	0	115.4	M1	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.26Å; M1-T3 VanDerWaalsContact O-N 3.12Å
4	L	34.2	Very low	35	Very low	161 Å²	161	148.4 Å²	148.4	84%	0.843	84%	0.835	S	S	*	*	S	Bend	trans	-136.1	12.1	-168.1	-119.5	165	0	0	0	116.2
5	V	35	Very low	35.1	Very low	114 Å²	114	146.4 Å²	146.4	69%	0.691	83%	0.833	S	S	*	*	S	Bend	trans	-116.1	-7.3	-177.2	-164.1	0	0	0	0	113.5	L7	V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 3.35Å
6	G	33.5	Very low	35	Very low	77 Å²	77	146.7 Å²	146.7	79%	0.794	84%	0.839	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-11.8	-178.4	0	0	0	0	0	116.6
7	L	34.2	Very low	35.1	Very low	175 Å²	175	141.4 Å²	141.4	92%	0.916	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	9.7	-168.9	-86.1	165	0	0	0	115.6	V5	V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 3.35Å
8	R	34.9	Very low	35.2	Very low	200 Å²	200	137.2 Å²	137.2	76%	0.755	80%	0.804	S	S	*	*	S	Bend	trans	-110.4	-13	-177.2	-86.3	-165.3	175.1	-158.3	1.8	117.1
9	Y	35	Very low	35.2	Very low	173 Å²	173	138.8 Å²	138.8	68%	0.678	81%	0.808	S	S	*	*	S	Bend	trans	-126.4	0.7	-166.5	-69.3	-70.8	0	0	0	116.4	L11	Y9-L11 PolarHBondContact O-N 2.84Å
10	N	33.8	Very low	35.3	Very low	173 Å²	173	134.7 Å²	134.7	93%	0.925	80%	0.796	S	S	*	*			trans	54.9	26	171.8	-146	36.4	0	0	0	115
11	L	37.8	Very low	35.6	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	79%	0.785	S	S	*	*			trans	-94.5	143.4	-179.4	-79.8	162.8	0	0	0	111	Y9	Y9-L11 PolarHBondContact O-N 2.84Å
12	G	37.4	Very low	35.4	Very low	68 Å²	68	129.1 Å²	129.1	70%	0.701	76%	0.763	S	S	*	*			trans	-64.9	147.7	-175.1	0	0	0	0	0	114.1	K14	G12-K14 PolarHBondContact O-N 2.8Å
13	S	32	Very low	35.5	Very low	125 Å²	125	132.2 Å²	132.2	87%	0.874	76%	0.761	S	S	*	*	S	Bend	trans	-73	80.6	-176.9	42	0	0	0	0	113.3
14	K	37.2	Very low	35.5	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.896	76%	0.757	S	S	*	*			trans	-162.1	21.4	166.7	-114.1	157.5	-170	-178.7	0	117.5	G12	G12-K14 PolarHBondContact O-N 2.8Å
15	C	35.6	Very low	35.2	Very low	119 Å²	119	130.9 Å²	130.9	80%	0.804	76%	0.758	S	S	*	*			trans	-126.7	122.5	176.9	-61.7	0	0	0	0	112.2
16	T	33.4	Very low	34.9	Very low	151 Å²	151	128.3 Å²	128.3	93%	0.926	75%	0.754	S	S	*	*			trans	-128.6	114.9	168.6	48.9	0	0	0	0	108.2
17	G	36.5	Very low	34.7	Very low	57 Å²	57	136.1 Å²	136.1	59%	0.588	76%	0.762	S	S	*	*			trans	-151.5	167.2	-179.5	0	0	0	0	0	110.3
18	S	37	Very low	34.4	Very low	65 Å²	65	133 Å²	133	46%	0.455	76%	0.755	S	S	.	*			trans	-74.9	163.4	-177.6	77	0	0	0	0	112.4	G20 E21	S18-G20 PolarHBondContact O-N 2.92Å; S18-G20 VanDerWaalsContact O-N 3.09Å; S18-E21 WeakPolarHBondContact CA-OE2 3.35Å; S18-E21 WeakPolarHBondContact CB-OE2 3.1Å; S18-E21 PolarHBondContact N-OE2 3.44Å; S18-E21 PolarHBondContact O-N 3.06Å; S18-E21 PolarHBondContact OG-OE2 3.09Å
19	L	35.1	Very low	34	Very low	169 Å²	169	128.3 Å²	128.3	89%	0.885	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-10.5	-177.3	-159.3	66.3	0	0	0	113.7
20	G	37.8	Very low	33.8	Very low	55 Å²	55	127.4 Å²	127.4	57%	0.567	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-22.4	174.8	0	0	0	0	0	114.7	S18	S18-G20 PolarHBondContact O-N 2.92Å; S18-G20 VanDerWaalsContact O-N 3.09Å
21	E	40.5	Very low	33.4	Very low	123 Å²	123	125.4 Å²	125.4	58%	0.575	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-89.4	-18	-166.4	-69.8	162.1	120.8	0	0	113.6	S18 N23	S18-E21 WeakPolarHBondContact CA-OE2 3.35Å; S18-E21 WeakPolarHBondContact CB-OE2 3.1Å; S18-E21 PolarHBondContact N-OE2 3.44Å; S18-E21 PolarHBondContact O-N 3.06Å; S18-E21 PolarHBondContact OG-OE2 3.09Å; E21-N23 PolarHBondContact O-N 3.14Å
22	L	34.5	Very low	32.9	Very low	129 Å²	129	123.7 Å²	123.7	68%	0.675	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-86.2	0.6	-173.2	-74.4	167.9	0	0	0	115.4
23	N	36.8	Very low	32.4	Very low	144 Å²	144	128.8 Å²	128.8	77%	0.77	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-97.7	-8.5	178.3	-76.1	-17.9	0	0	0	114.5	E21	E21-N23 PolarHBondContact O-N 3.14Å
24	N	33.9	Very low	32	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	75%	0.754	S	S	*	*			trans	-107.6	38	-171.4	-76.5	-7.8	0	0	0	114
25	C	27.4	Very low	31.5	Very low	126 Å²	126	129.9 Å²	129.9	85%	0.851	75%	0.751	S	S	*	*			trans	-117.2	80.3	177.3	-76.1	0	0	0	0	111.7
26	G	28.4	Very low	31.3	Very low	60 Å²	60	131.8 Å²	131.8	62%	0.619	75%	0.752	S	S	*	*			trans	-176	142.8	173.1	0	0	0	0	0	112.8
27	Y	29.1	Very low	30.9	Very low	241 Å²	241	133.2 Å²	133.2	95%	0.945	75%	0.748	S	S	*	*			trans	68.2	66.6	174.5	-51.8	-70.7	0	0	0	117.3
28	S	29	Very low	30.5	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	76%	0.759	S	S	*	*			trans	-93.5	125.1	146.2	56.8	0	0	0	0	110.4
29	S	26	Very low	29.9	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	77%	0.77	S	S	*	*			trans	31.4	121.7	150.2	-36.2	0	0	0	0	120.2
30	N	29.6	Very low	29.5	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	77%	0.769	S	S	*	*				176.8	150.3	104.3	-86.6	-14.8	0	0	0	115.3
31	T	25.9	Very low	28.8	Very low	130 Å²	130	148.4 Å²	148.4	80%	0.798	78%	0.784	S	S	*	*			trans	-46.2	139.4	171.2	51	0	0	0	0	118.1
32	S	28.4	Very low	28.3	Very low	119 Å²	119	148.8 Å²	148.8	83%	0.832	79%	0.794	S	S	*	*				-177	162.1	121.7	61	0	0	0	0	112
33	E	25.7	Very low	27.9	Very low	176 Å²	176	150.6 Å²	150.6	82%	0.822	80%	0.799	S	S	*	*			trans	-87.1	169.9	-171.4	-65.9	150.4	128.4	0	0	115.2
34	D	24.8	Very low	27.3	Very low	140 Å²	140	150.2 Å²	150.2	75%	0.749	80%	0.797	S	S	*	*			trans	39.5	122.4	153.4	-63.5	-6.3	0	0	0	121.5
35	Y	26.9	Very low	26.9	Very low	213 Å²	213	149.6 Å²	149.6	84%	0.835	79%	0.793	S	S	*	*				-175.7	164.4	100.5	-118.8	-97.5	0	0	0	113.5
36	I	29.8	Very low	26.9	Very low	159 Å²	159	151.2 Å²	151.2	82%	0.815	79%	0.794	S	S	*	*			trans	74	102.2	166.5	-58.6	160.8	0	0	0	117.2
37	Q	24.7	Very low	26.8	Very low	181 Å²	181	155.7 Å²	155.7	85%	0.846	80%	0.802	S	S	*	*			trans	-103.9	129.8	160.3	169.8	-171.8	11.2	0	0	109
38	Q	28.1	Very low	26.7	Very low	176 Å²	176	149.8 Å²	149.8	82%	0.822	80%	0.797	S	S	*	*			trans	177.5	126	148.6	-105	165.9	38.2	0	0	113.2
39	S	24.6	Very low	26.6	Very low	99 Å²	99	153.7 Å²	153.7	69%	0.692	80%	0.8	S	S	*	*			trans	56.1	158.2	161	59.6	0	0	0	0	118.2
40	W	27.8	Very low	26.7	Very low	229 Å²	229	154.1 Å²	154.1	87%	0.867	80%	0.8	S	S	*	*			cis	-134.2	145.6	15	-72.9	63.3	0	0	0	112
41	D	23.3	Very low	26.4	Very low	162 Å²	162	152.7 Å²	152.7	87%	0.866	80%	0.803	S	S	*	*			trans	-78.9	116.4	165.1	-60.2	-71.9	0	0	0	110.7
42	T	30.2	Very low	26.5	Very low	131 Å²	131	156.9 Å²	156.9	80%	0.804	80%	0.804	S	S	*	*			trans	-157.7	150.2	144.7	-14.8	0	0	0	0	113.2
43	E	24.9	Very low	26.3	Very low	166 Å²	166	159.2 Å²	159.2	78%	0.776	80%	0.804	S	S	*	*			trans	-67.9	167	-165.7	-52.5	173.9	105.9	0	0	117.2
44	L	25.4	Very low	26.3	Very low	137 Å²	137	156 Å²	156	72%	0.717	80%	0.8	S	S	*	*			trans	77.4	123.7	149.9	-73.9	159.9	0	0	0	120.2
45	N	25.2	Very low	26.3	Very low	131 Å²	131	158 Å²	158	70%	0.701	80%	0.803	S	S	*	*			trans	61.2	108	151.4	-55.1	-34.9	0	0	0	118
46	N	27.9	Very low	26.3	Very low	161 Å²	161	153.1 Å²	153.1	86%	0.861	80%	0.799	S	S	*	*				-163.9	158.7	102.8	-103	-58.7	0	0	0	113.9
47	L	26.6	Very low	26.1	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	80%	0.796	S	S	*	*			trans	-78.7	140.9	173.8	-76.3	63.7	0	0	0	110.2
48	S	26.1	Very low	26.2	Very low	118 Å²	118	151.5 Å²	151.5	83%	0.825	79%	0.793	S	S	*	*			trans	-127.5	65.7	164	64.2	0	0	0	0	111.2
49	F	26.2	Very low	26	Very low	191 Å²	191	149.6 Å²	149.6	84%	0.838	79%	0.794	S	S	*	*			trans	-77.8	129.7	167.7	-108.2	-82	0	0	0	110
50	P	28	Very low	26.1	Very low	110 Å²	110	152.5 Å²	152.5	71%	0.714	80%	0.798	S	S	*	*			trans	-60.9	145.7	-178.3	-27.3	36.3	0	0	0	114.8	W52	P50-W52 PolarHBondContact O-N 2.92Å
51	S	24	Very low	26	Very low	125 Å²	125	145.6 Å²	145.6	87%	0.874	80%	0.798	S	S	*	*			trans	-79	113.1	-171.4	56.4	0	0	0	0	113.8
52	W	27.2	Very low	26.2	Very low	218 Å²	218	144.2 Å²	144.2	83%	0.826	79%	0.79	S	S	*	*			trans	-141.8	14	170.2	79.8	-77	0	0	0	116.8	P50	P50-W52 PolarHBondContact O-N 2.92Å
53	M	26.1	Very low	26.2	Very low	167 Å²	167	144 Å²	144	82%	0.823	78%	0.784	S	S	*	*			trans	-125.5	80	169.6	-74.6	-165.3	168.3	0	0	112.2
54	S	25	Very low	26.5	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	77%	0.771	S	S	*	*			trans	-151.6	141	169.6	-174.2	0	0	0	0	110.4
55	K	24.6	Very low	26.8	Very low	184 Å²	184	144.6 Å²	144.6	80%	0.8	77%	0.774	S	S	*	*			trans	75.6	65.6	177.9	-53.4	173.4	-177.8	172	0	117.7
56	S	27.4	Very low	27.1	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	76%	0.763	S	S	*	*			trans	-139.9	90.3	144.9	64.5	0	0	0	0	113
57	N	25.5	Very low	27.3	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	75%	0.751	S	S	*	*			trans	64.7	105.1	138.4	-55.4	-2.1	0	0	0	121.2
58	Q	25.6	Very low	27.6	Very low	166 Å²	166	136.8 Å²	136.8	78%	0.776	73%	0.733	S	S	*	*				48	96.1	112.5	-67.7	173.4	-32.2	0	0	118.7	M60	Q58-M60 PolarHBondContact O-N 3.03Å
59	T	24.1	Very low	28.2	Very low	136 Å²	136	135.6 Å²	135.6	83%	0.834	72%	0.721	S	S	*	*				41.6	77.7	127.5	58	0	0	0	0	118
60	M	26.2	Very low	28.6	Very low	160 Å²	160	129.3 Å²	129.3	79%	0.788	70%	0.701	S	S	*	*			trans	-127.4	104.7	149.7	-76.2	-64.4	-73.7	0	0	108.5	Q58 L62	Q58-M60 PolarHBondContact O-N 3.03Å; M60-L62 PolarHBondContact O-N 2.79Å
61	G	26.6	Very low	29.1	Very low	84 Å²	84	129.7 Å²	129.7	87%	0.866	69%	0.692	S	S	*	*			trans	-74.7	103.5	179.4	0	0	0	0	0	110.9
62	L	27.9	Very low	29.7	Very low	133 Å²	133	128 Å²	128	70%	0.696	67%	0.671	S	S	*	*			trans	-130.7	135.1	174	-67.4	174.6	0	0	0	109	M60 E64	M60-L62 PolarHBondContact O-N 2.79Å; L62-E64 PolarHBondContact O-N 3.01Å
63	D	29.3	Very low	30.2	Very low	126 Å²	126	120.6 Å²	120.6	67%	0.674	65%	0.652	S	S	*	*			trans	-57.9	132.3	-166.8	-111.9	-39.7	0	0	0	113.2	R65 S66	D63-R65 PolarHBondContact O-N 3.36Å; D63-R65 VanDerWaalsContact O-N 3.11Å; D63-S66 WeakPolarHBondContact O-CA 3.31Å; D63-S66 VanDerWaalsContact O-CB 3.22Å; D63-S66 WeakPolarHBondContact O-CB 3.37Å; D63-S66 PolarHBondContact O-N 3.12Å
64	E	31.6	Very low	30.9	Very low	110 Å²	110	114.9 Å²	114.9	51%	0.514	63%	0.629	S	S	.	*	H	α-helix	trans	-61.6	-24.7	179.1	-154.5	-153.9	-152.5	0	0	112	L62 K68	L62-E64 PolarHBondContact O-N 3.01Å; E64-K68 WeakPolarHBondContact O-CB 3Å; E64-K68 WeakPolarHBondContact O-CG 3.2Å; E64-K68 PolarHBondContact O-N 2.64Å; E64-K68 IonicContact OE1-NZ 2.7Å; E64-K68 PolarHBondContact OE1-NZ 3.2Å; E64-K68 IonicContact OE2-NZ 3.78Å; E64-K68 PolarHBondContact OE2-NZ 2.82Å
65	R	31.9	Very low	31.5	Very low	205 Å²	205	112.1 Å²	112.1	77%	0.774	61%	0.606	S	S	*	*	H	α-helix	trans	-66.5	-33.1	170.3	-76.8	-179.4	168.1	175	-3.5	113.4	D63 K68 T69	D63-R65 PolarHBondContact O-N 3.36Å; D63-R65 VanDerWaalsContact O-N 3.11Å; R65-K68 PolarHBondContact O-N 2.8Å; R65-T69 PolarHBondContact O-N 3.28Å; R65-T69 PolarHBondContact O-OG1 3.22Å
66	S	32.3	Very low	32.2	Very low	68 Å²	68	108 Å²	108	48%	0.476	59%	0.591	S	S	.	*	H	α-helix	trans	-69.1	-43.2	-179.6	-171.4	0	0	0	0	111.6	D63 T69 S70	D63-S66 WeakPolarHBondContact O-CA 3.31Å; D63-S66 VanDerWaalsContact O-CB 3.22Å; D63-S66 WeakPolarHBondContact O-CB 3.37Å; D63-S66 PolarHBondContact O-N 3.12Å; S66-T69 PolarHBondContact O-N 2.61Å; S66-T69 PolarHBondContact O-OG1 2.84Å; S66-T69 VanDerWaalsContact O-OG1 3.05Å; S66-S70 WeakPolarHBondContact O-CB 3.36Å; S66-S70 PolarHBondContact O-N 2.82Å; S66-S70 PolarHBondContact O-OG 3.18Å
67	L	31.1	Very low	32.8	Very low	116 Å²	116	108 Å²	108	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-65.7	-39.3	173.7	-74.4	162.9	0	0	0	111.8	T69 S70 F71	L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 2.8Å; L67-S70 PolarHBondContact O-OG 2.87Å; L67-F71 VanDerWaalsContact O-CB 3.31Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 3.09Å; L67-F71 VanDerWaalsContact O-N 3.11Å
68	K	33.8	Very low	33.3	Very low	97 Å²	97	105.4 Å²	105.4	42%	0.422	57%	0.568	S	S	.	*	H	α-helix	trans	-66.6	-30.7	176.1	-75.3	170.1	179.9	170.9	0	112.8	E64 R65 M72	E64-K68 WeakPolarHBondContact O-CB 3Å; E64-K68 WeakPolarHBondContact O-CG 3.2Å; E64-K68 PolarHBondContact O-N 2.64Å; E64-K68 IonicContact OE1-NZ 2.7Å; E64-K68 PolarHBondContact OE1-NZ 3.2Å; E64-K68 IonicContact OE2-NZ 3.78Å; E64-K68 PolarHBondContact OE2-NZ 2.82Å; R65-K68 PolarHBondContact O-N 2.8Å; K68-M72 WeakPolarHBondContact O-CG 3.24Å
69	T	37.3	Very low	33.8	Very low	93 Å²	93	104.1 Å²	104.1	57%	0.571	56%	0.564	S	S	*	*	H	α-helix	trans	-82.4	-41.6	173.3	52.6	0	0	0	0	113.1	R65 S66 L67 M72 S73	R65-T69 PolarHBondContact O-N 3.28Å; R65-T69 PolarHBondContact O-OG1 3.22Å; S66-T69 PolarHBondContact O-N 2.61Å; S66-T69 PolarHBondContact O-OG1 2.84Å; S66-T69 VanDerWaalsContact O-OG1 3.05Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 2.8Å; T69-M72 PolarHBondContact O-N 3.41Å; T69-S73 PolarHBondContact O-N 2.81Å; T69-S73 PolarHBondContact O-OG 2.74Å
70	S	35.9	Very low	34.2	Very low	60 Å²	60	102.4 Å²	102.4	42%	0.42	55%	0.547	S	S	.	.	H	α-helix	trans	-68	-37.3	-177.4	69.7	0	0	0	0	113.5	S66 L67 S73 S74	S66-S70 WeakPolarHBondContact O-CB 3.36Å; S66-S70 PolarHBondContact O-N 2.82Å; S66-S70 PolarHBondContact O-OG 3.18Å; L67-S70 PolarHBondContact O-OG 2.87Å; S70-S73 WeakPolarHBondContact CA-OG 3.42Å; S70-S73 PolarHBondContact O-N 3.03Å; S70-S73 PolarHBondContact O-OG 3.46Å; S70-S74 PolarHBondContact O-N 2.82Å
71	F	37.2	Very low	34.5	Very low	117 Å²	117	99.1 Å²	99.1	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-69.3	-37.4	175.6	-170.8	-100.8	0	0	0	112	L67 S74 L75	L67-F71 VanDerWaalsContact O-CB 3.31Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 3.09Å; L67-F71 VanDerWaalsContact O-N 3.11Å; F71-S74 PolarHBondContact O-OG 3.28Å; F71-L75 HydrophobicContact CD1-CD1 3.83Å; F71-L75 HydrophobicContact CE1-CD1 3.55Å; F71-L75 HydrophobicContact CE1-CG 4.43Å; F71-L75 HydrophobicContact CZ-CD1 4.21Å; F71-L75 WeakPolarHBondContact O-CB 3.49Å; F71-L75 WeakPolarHBondContact O-CG 3.18Å; F71-L75 PolarHBondContact O-N 2.78Å; F71-L75 VanDerWaalsContact O-N 3.16Å
72	M	37	Very low	34.8	Very low	91 Å²	91	101.4 Å²	101.4	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-69.7	-35.8	174.1	-69.4	-71	-70.2	0	0	111.7	K68 T69 I76 F115	K68-M72 WeakPolarHBondContact O-CG 3.24Å; T69-M72 PolarHBondContact O-N 3.41Å; M72-I76 WeakPolarHBondContact O-CB 3.43Å; M72-I76 WeakPolarHBondContact O-CD1 3.48Å; M72-I76 WeakPolarHBondContact O-CG1 3.41Å; M72-I76 PolarHBondContact O-N 3.26Å; M72-F115 HydrophobicContact SD-CE2 4.24Å
73	S	38.1	Very low	34.9	Very low	61 Å²	61	99 Å²	99	43%	0.427	51%	0.513	S	S	.	.	H	α-helix	trans	-78.1	-27.5	178	62	0	0	0	0	113.9	T69 S70 L77	T69-S73 PolarHBondContact O-N 2.81Å; T69-S73 PolarHBondContact O-OG 2.74Å; S70-S73 WeakPolarHBondContact CA-OG 3.42Å; S70-S73 PolarHBondContact O-N 3.03Å; S70-S73 PolarHBondContact O-OG 3.46Å; S73-L77 WeakPolarHBondContact O-CB 3.38Å; S73-L77 VanDerWaalsContact O-CG 3.3Å; S73-L77 WeakPolarHBondContact O-CG 3.44Å; S73-L77 PolarHBondContact O-N 2.76Å
74	S	40.4	Very low	34.9	Very low	48 Å²	48	99.3 Å²	99.3	34%	0.336	51%	0.508	S	S	.	.	H	α-helix	trans	-67.2	-49.1	167.7	75.3	0	0	0	0	110.7	S70 F71 I76 L77 D78	S70-S74 PolarHBondContact O-N 2.82Å; F71-S74 PolarHBondContact O-OG 3.28Å; S74-I76 VanDerWaalsContact C-N 3.27Å; S74-I76 PolarHBondContact O-N 3.01Å; S74-L77 WeakPolarHBondContact O-CB 3.31Å; S74-L77 PolarHBondContact O-N 2.75Å; S74-D78 VanDerWaalsContact O-CG 3.22Å; S74-D78 PolarHBondContact O-N 3.11Å
75	L	37.3	Very low	34.8	Very low	50 Å²	50	97.8 Å²	97.8	26%	0.262	51%	0.506	S	S	.	.	H	α-helix	trans	-56.4	-39.6	175.6	-77.1	171.3	0	0	0	112.7	F71 M79	F71-L75 HydrophobicContact CD1-CD1 3.83Å; F71-L75 HydrophobicContact CE1-CD1 3.55Å; F71-L75 HydrophobicContact CE1-CG 4.43Å; F71-L75 HydrophobicContact CZ-CD1 4.21Å; F71-L75 WeakPolarHBondContact O-CB 3.49Å; F71-L75 WeakPolarHBondContact O-CG 3.18Å; F71-L75 PolarHBondContact O-N 2.78Å; F71-L75 VanDerWaalsContact O-N 3.16Å; L75-M79 WeakPolarHBondContact O-CB 3.14Å; L75-M79 VanDerWaalsContact O-CG 3.32Å; L75-M79 WeakPolarHBondContact O-CG 3.22Å; L75-M79 PolarHBondContact O-N 3.26Å; L75-M79 VanDerWaalsContact O-N 3.08Å
76	I	40.4	Very low	34.6	Very low	98 Å²	98	95.8 Å²	95.8	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-44.7	174.6	-73.6	164.4	0	0	0	111	M72 S74 M79 Q80	M72-I76 WeakPolarHBondContact O-CB 3.43Å; M72-I76 WeakPolarHBondContact O-CD1 3.48Å; M72-I76 WeakPolarHBondContact O-CG1 3.41Å; M72-I76 PolarHBondContact O-N 3.26Å; S74-I76 VanDerWaalsContact C-N 3.27Å; S74-I76 PolarHBondContact O-N 3.01Å; I76-M79 PolarHBondContact O-N 3.4Å; I76-Q80 VanDerWaalsContact O-CB 3.3Å; I76-Q80 WeakPolarHBondContact O-CB 3.32Å; I76-Q80 PolarHBondContact O-N 3.26Å
77	L	40.1	Very low	34.4	Very low	107 Å²	107	99 Å²	99	56%	0.56	52%	0.521	S	S	*	.	H	α-helix	trans	-63	-46.6	177.7	-76.2	166.8	0	0	0	112.1	S73 S74 M79 Q80 D81	S73-L77 WeakPolarHBondContact O-CB 3.38Å; S73-L77 VanDerWaalsContact O-CG 3.3Å; S73-L77 WeakPolarHBondContact O-CG 3.44Å; S73-L77 PolarHBondContact O-N 2.76Å; S74-L77 WeakPolarHBondContact O-CB 3.31Å; S74-L77 PolarHBondContact O-N 2.75Å; L77-M79 VanDerWaalsContact C-N 3.33Å; L77-M79 PolarHBondContact O-N 3.33Å; L77-Q80 WeakPolarHBondContact O-CA 3.49Å; L77-Q80 WeakPolarHBondContact O-CB 3.26Å; L77-Q80 PolarHBondContact O-N 2.73Å; L77-D81 PolarHBondContact O-N 3.05Å
78	D	36.1	Very low	34.1	Very low	88 Å²	88	103.4 Å²	103.4	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-57.1	-47.7	177.5	-61.7	-35.4	0	0	0	110.4	S74 Q80 D81 F82	S74-D78 VanDerWaalsContact O-CG 3.22Å; S74-D78 PolarHBondContact O-N 3.11Å; D78-Q80 VanDerWaalsContact C-N 3.29Å; D78-Q80 PolarHBondContact O-N 3.42Å; D78-D81 PolarHBondContact O-N 2.81Å; D78-F82 WeakPolarHBondContact O-CD2 3.22Å; D78-F82 PolarHBondContact O-N 3.04Å
79	M	34.3	Very low	33.7	Very low	138 Å²	138	104.9 Å²	104.9	68%	0.68	55%	0.553	S	S	*	*	H	α-helix	trans	-68.4	-23	175.4	-67	-165.9	82.4	0	0	113.9	L75 I76 L77	L75-M79 WeakPolarHBondContact O-CB 3.14Å; L75-M79 VanDerWaalsContact O-CG 3.32Å; L75-M79 WeakPolarHBondContact O-CG 3.22Å; L75-M79 PolarHBondContact O-N 3.26Å; L75-M79 VanDerWaalsContact O-N 3.08Å; I76-M79 PolarHBondContact O-N 3.4Å; L77-M79 VanDerWaalsContact C-N 3.33Å; L77-M79 PolarHBondContact O-N 3.33Å
80	Q	34.2	Very low	33.2	Very low	101 Å²	101	109 Å²	109	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-78.3	-26.7	177.1	-154.3	90	82.4	0	0	112.8	I76 L77 D78 S83 K84	I76-Q80 VanDerWaalsContact O-CB 3.3Å; I76-Q80 WeakPolarHBondContact O-CB 3.32Å; I76-Q80 PolarHBondContact O-N 3.26Å; L77-Q80 WeakPolarHBondContact O-CA 3.49Å; L77-Q80 WeakPolarHBondContact O-CB 3.26Å; L77-Q80 PolarHBondContact O-N 2.73Å; D78-Q80 VanDerWaalsContact C-N 3.29Å; D78-Q80 PolarHBondContact O-N 3.42Å; Q80-S83 PolarHBondContact O-OG 2.7Å; Q80-S83 VanDerWaalsContact O-OG 3.1Å; Q80-K84 VanDerWaalsContact O-CE 3.31Å; Q80-K84 WeakPolarHBondContact O-CE 3.5Å
81	D	31.8	Very low	32.8	Very low	90 Å²	90	113.3 Å²	113.3	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-89.8	-31.9	178.4	-76	-17.6	0	0	0	112	L77 D78 S83 K84	L77-D81 PolarHBondContact O-N 3.05Å; D78-D81 PolarHBondContact O-N 2.81Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 VanDerWaalsContact O-N 3.14Å; D81-K84 PolarHBondContact O-N 3.1Å; D81-K84 IonicContact OD1-NZ 2.71Å; D81-K84 PolarHBondContact OD1-NZ 2.75Å
82	F	32.6	Very low	32.3	Very low	133 Å²	133	112.7 Å²	112.7	58%	0.583	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-15.5	164.6	-74.9	-61.3	0	0	0	113.8	D78 K84	D78-F82 WeakPolarHBondContact O-CD2 3.22Å; D78-F82 PolarHBondContact O-N 3.04Å; F82-K84 VanDerWaalsContact C-N 3.32Å
83	S	30.2	Very low	31.8	Very low	83 Å²	83	116.2 Å²	116.2	58%	0.58	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	10.9	173.4	92.4	0	0	0	0	114.3	Q80 D81	Q80-S83 PolarHBondContact O-OG 2.7Å; Q80-S83 VanDerWaalsContact O-OG 3.1Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 VanDerWaalsContact O-N 3.14Å
84	K	29.9	Very low	31.4	Very low	132 Å²	132	117.7 Å²	117.7	57%	0.574	63%	0.631	S	S	*	*	S	Bend	trans	-130.9	-1.9	-177.1	-61.5	175.4	-161.3	144.2	0	114.6	Q80 D81 F82 D86	Q80-K84 VanDerWaalsContact O-CE 3.31Å; Q80-K84 WeakPolarHBondContact O-CE 3.5Å; D81-K84 PolarHBondContact O-N 3.1Å; D81-K84 IonicContact OD1-NZ 2.71Å; D81-K84 PolarHBondContact OD1-NZ 2.75Å; F82-K84 VanDerWaalsContact C-N 3.32Å; K84-D86 PolarHBondContact O-N 2.78Å
85	T	29.2	Very low	30.8	Very low	78 Å²	78	124.6 Å²	124.6	48%	0.479	66%	0.658	S	S	.	*			trans	-90.8	102.9	-179.8	52.4	0	0	0	0	110.4	I87	T85-I87 VanDerWaalsContact C-N 3.3Å; T85-I87 PolarHBondContact O-N 2.87Å
86	D	27.3	Very low	30.5	Very low	162 Å²	162	129.1 Å²	129.1	87%	0.866	68%	0.683	S	S	*	*			trans	-68.2	83.4	172	-70.7	-49.2	0	0	0	110.8	K84	K84-D86 PolarHBondContact O-N 2.78Å
87	I	28.2	Very low	29.8	Very low	136 Å²	136	130.2 Å²	130.2	70%	0.697	70%	0.699	S	S	*	*			trans	-106.3	68	176.4	-50.8	177.4	0	0	0	108.3	T85	T85-I87 VanDerWaalsContact C-N 3.3Å; T85-I87 PolarHBondContact O-N 2.87Å
88	F	24.7	Very low	29.4	Very low	208 Å²	208	128.8 Å²	128.8	91%	0.912	70%	0.703	S	S	*	*			trans	-141.2	56.8	-179.7	-88.6	-69.1	0	0	0	112.2
89	T	26.4	Very low	29.3	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	72%	0.721	S	S	*	*			trans	-136	150.4	165.1	49.1	0	0	0	0	109.7
90	E	25.5	Very low	29.1	Very low	180 Å²	180	133.7 Å²	133.7	84%	0.841	73%	0.73	S	S	*	*			trans	65.6	89.1	172.2	-55.3	-173.4	146.9	0	0	117
91	T	28.9	Very low	29.3	Very low	150 Å²	150	133.8 Å²	133.8	92%	0.92	73%	0.734	S	S	*	*			trans	-173.9	62.6	136.8	18.2	0	0	0	0	110.5
92	S	26.2	Very low	29.8	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	73%	0.727	S	S	*	*			trans	-72.5	155.2	158.1	41.6	0	0	0	0	109.9
93	N	26.5	Very low	29.9	Very low	164 Å²	164	131.8 Å²	131.8	88%	0.877	73%	0.732	S	S	*	*	S	Bend	trans	76	63.6	174.6	-49.5	-11.5	0	0	0	117.1
94	S	28.5	Very low	30.4	Very low	92 Å²	92	132 Å²	132	64%	0.643	73%	0.73	S	S	*	*			trans	-155.9	152.2	138.4	67.7	0	0	0	0	111	N96	S94-N96 VanDerWaalsContact C-N 3.25Å; S94-N96 PolarHBondContact O-N 2.8Å
95	H	29.5	Very low	31.2	Very low	193 Å²	193	129.1 Å²	129.1	89%	0.894	72%	0.719	S	S	*	*	S	Bend	trans	-82.5	10	-175.2	-80.7	-98.8	0	0	0	114.6	S97	H95-S97 PolarHBondContact O-N 3Å
96	N	29.3	Very low	32	Very low	146 Å²	146	130.3 Å²	130.3	78%	0.781	72%	0.722	S	S	*	*			trans	-101.2	58.7	-172.2	-68.6	-15.7	0	0	0	112.8	S94	S94-N96 VanDerWaalsContact C-N 3.25Å; S94-N96 PolarHBondContact O-N 2.8Å
97	S	27	Very low	33	Very low	121 Å²	121	126.7 Å²	126.7	85%	0.846	70%	0.702	S	S	*	*			trans	-101.2	28.2	-174.5	57.5	0	0	0	0	115.2	H95	H95-S97 PolarHBondContact O-N 3Å
98	A	30.5	Very low	33.9	Very low	77 Å²	77	122 Å²	122	64%	0.636	69%	0.687	S	S	*	*	S	Bend	trans	-124.3	139.8	168.5	0	0	0	0	0	110.8
99	N	34.3	Very low	35.3	Very low	159 Å²	159	116.7 Å²	116.7	85%	0.85	67%	0.668	S	S	*	*	S	Bend	trans	98.1	-5.3	176.5	-56.5	-28.6	0	0	0	119.6	L101	N99-L101 PolarHBondContact O-N 2.96Å; N99-L101 VanDerWaalsContact O-N 3.14Å
100	L	30.4	Very low	36.3	Very low	169 Å²	169	113.2 Å²	113.2	89%	0.885	65%	0.649	S	S	*	*			trans	-78.7	98.2	170.2	-72.3	173.8	0	0	0	111.7
101	L	39.4	Very low	37.3	Very low	103 Å²	103	107.8 Å²	107.8	54%	0.539	63%	0.63	S	S	.	*			trans	-58.3	134.1	148.7	-91.8	75	0	0	0	107.3	N99 L109	N99-L101 PolarHBondContact O-N 2.96Å; N99-L101 VanDerWaalsContact O-N 3.14Å; L101-L109 HydrophobicContact CD2-CD1 4.49Å
102	S	41.5	Very low	38.4	Very low	48 Å²	48	103 Å²	103	34%	0.336	60%	0.598	S	S	.	*			trans	-67.7	147.8	-179.9	66	0	0	0	0	110.5	T104 Q105 L106	S102-T104 PolarHBondContact O-N 3.46Å; S102-T104 PolarHBondContact OG-OG1 2.77Å; S102-Q105 VanDerWaalsContact N-OE1 3.14Å; S102-Q105 WeakPolarHBondContact O-CA 3.06Å; S102-Q105 WeakPolarHBondContact O-CB 3.22Å; S102-Q105 PolarHBondContact O-N 2.87Å; S102-Q105 WeakPolarHBondContact OG-CG 3.24Å; S102-Q105 PolarHBondContact OG-N 3.5Å; S102-L106 PolarHBondContact O-N 2.82Å
103	L	34.7	Very low	39.6	Very low	134 Å²	134	102.5 Å²	102.5	70%	0.702	59%	0.586	S	S	*	*	H	α-helix	trans	-53.6	-32.6	178.6	-162.7	73.4	0	0	0	112	L106 L107	L103-L106 PolarHBondContact O-N 3.28Å; L103-L107 HydrophobicContact CG-CD1 4.4Å; L103-L107 PolarHBondContact O-N 3.41Å
104	T	41.3	Very low	40.7	Very low	87 Å²	87	99.5 Å²	99.5	53%	0.534	57%	0.57	S	S	.	*	H	α-helix	trans	-65.8	-35	173.6	48.8	0	0	0	0	114.3	S102 G108	S102-T104 PolarHBondContact O-N 3.46Å; S102-T104 PolarHBondContact OG-OG1 2.77Å; T104-G108 PolarHBondContact O-N 3.31Å
105	Q	46.3	Very low	41.9	Very low	71 Å²	71	98.9 Å²	98.9	33%	0.332	56%	0.556	S	S	.	*	H	α-helix	trans	-69.1	-39.4	172.8	-71.8	166.9	-12.2	0	0	110.6	S102 G108 L109 E147	S102-Q105 VanDerWaalsContact N-OE1 3.14Å; S102-Q105 WeakPolarHBondContact O-CA 3.06Å; S102-Q105 WeakPolarHBondContact O-CB 3.22Å; S102-Q105 PolarHBondContact O-N 2.87Å; S102-Q105 WeakPolarHBondContact OG-CG 3.24Å; S102-Q105 PolarHBondContact OG-N 3.5Å; Q105-G108 PolarHBondContact O-N 2.99Å; Q105-L109 VanDerWaalsContact O-CG 3.29Å; Q105-L109 WeakPolarHBondContact O-CG 3.16Å; Q105-L109 PolarHBondContact O-N 3.12Å; Q105-E147 PolarHBondContact NE2-OE1 3.46Å
106	L	45.8	Very low	42.9	Very low	104 Å²	104	94.1 Å²	94.1	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-46.2	176.9	-116.4	160.3	0	0	0	112.3	S102 L103 L109 S110	S102-L106 PolarHBondContact O-N 2.82Å; L103-L106 PolarHBondContact O-N 3.28Å; L106-L109 PolarHBondContact O-N 3.14Å; L106-S110 PolarHBondContact O-N 3.12Å; L106-S110 VanDerWaalsContact O-N 3.1Å
107	L	48.2	Very low	43.9	Very low	85 Å²	85	91.6 Å²	91.6	45%	0.445	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-40.4	172.9	-79.2	160.6	0	0	0	112.5	L103 L109 S110 C111	L103-L107 HydrophobicContact CG-CD1 4.4Å; L103-L107 PolarHBondContact O-N 3.41Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.26Å; L107-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-OG 2.93Å; L107-C111 PolarHBondContact O-N 2.53Å; L107-C111 VanDerWaalsContact O-N 3.11Å; L107-C111 PolarHBondContact O-SG 3Å
108	G	47.8	Very low	44.8	Very low	38 Å²	38	90 Å²	90	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-41.4	174.2	0	0	0	0	0	112.6	T104 Q105 L112	T104-G108 PolarHBondContact O-N 3.31Å; Q105-G108 PolarHBondContact O-N 2.99Å; G108-L112 VanDerWaalsContact O-CB 3.3Å; G108-L112 WeakPolarHBondContact O-CB 3.44Å; G108-L112 PolarHBondContact O-N 3.23Å
109	L	52.6	Low	45.6	Very low	96 Å²	96	90.8 Å²	90.8	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-67.4	-40.8	177.5	-73.3	165.5	0	0	0	112.7	L101 Q105 L106 L107 L112 M113	L101-L109 HydrophobicContact CD2-CD1 4.49Å; Q105-L109 VanDerWaalsContact O-CG 3.29Å; Q105-L109 WeakPolarHBondContact O-CG 3.16Å; Q105-L109 PolarHBondContact O-N 3.12Å; L106-L109 PolarHBondContact O-N 3.14Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.26Å; L109-L112 PolarHBondContact O-N 3.4Å; L109-M113 PolarHBondContact O-N 3.21Å
110	S	48.1	Very low	46	Very low	56 Å²	56	86 Å²	86	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-42	177.4	56.5	0	0	0	0	112.6	L106 L107 M113 N114	L106-S110 PolarHBondContact O-N 3.12Å; L106-S110 VanDerWaalsContact O-N 3.1Å; L107-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-OG 2.93Å; S110-M113 PolarHBondContact O-N 3.5Å; S110-N114 PolarHBondContact O-N 3.02Å; S110-N114 VanDerWaalsContact O-N 3.13Å; S110-N114 PolarHBondContact O-ND2 3.34Å
111	C	47.5	Very low	46.7	Very low	66 Å²	66	88.2 Å²	88.2	45%	0.446	47%	0.473	S	S	.	.	H	α-helix	trans	-65	-39.9	175.9	-71	0	0	0	0	111.8	L107 N114 F115	L107-C111 PolarHBondContact O-N 2.53Å; L107-C111 VanDerWaalsContact O-N 3.11Å; L107-C111 PolarHBondContact O-SG 3Å; C111-N114 PolarHBondContact O-N 2.98Å; C111-F115 PolarHBondContact O-N 3.44Å
112	L	51.4	Low	47	Very low	48 Å²	48	89.3 Å²	89.3	25%	0.251	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-44.1	173.9	-173.8	82.5	0	0	0	112	G108 L109 N114 F115 I116 F136	G108-L112 VanDerWaalsContact O-CB 3.3Å; G108-L112 WeakPolarHBondContact O-CB 3.44Å; G108-L112 PolarHBondContact O-N 3.23Å; L109-L112 PolarHBondContact O-N 3.4Å; L112-N114 VanDerWaalsContact C-N 3.32Å; L112-N114 PolarHBondContact O-N 3.34Å; L112-F115 WeakPolarHBondContact O-CB 3.37Å; L112-F115 PolarHBondContact O-N 3.03Å; L112-I116 HydrophobicContact CD2-CD1 4.15Å; L112-I116 HydrophobicContact CG-CD1 3.9Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.85Å; L112-F136 HydrophobicContact CD1-CD2 4.31Å; L112-F136 HydrophobicContact CD1-CE2 3.69Å; L112-F136 HydrophobicContact CD1-CZ 3.91Å; L112-F136 HydrophobicContact CD2-CE1 3.67Å; L112-F136 HydrophobicContact CD2-CE2 4.01Å; L112-F136 HydrophobicContact CD2-CZ 3.3Å; L112-F136 HydrophobicContact CG-CZ 4.25Å
113	M	52.1	Low	46.9	Very low	96 Å²	96	89.2 Å²	89.2	47%	0.473	47%	0.472	S	S	.	.	H	α-helix	trans	-63.3	-40.6	-179.6	-157	-174.7	94.2	0	0	111.3	L109 S110 I116 M117	L109-M113 PolarHBondContact O-N 3.21Å; S110-M113 PolarHBondContact O-N 3.5Å; M113-I116 PolarHBondContact O-N 2.91Å; M113-M117 WeakPolarHBondContact O-CB 3.18Å; M113-M117 WeakPolarHBondContact O-CG 3.24Å; M113-M117 PolarHBondContact O-N 3.3Å
114	N	48.4	Very low	46.9	Very low	101 Å²	101	91.1 Å²	91.1	54%	0.54	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-40.7	173.1	-75.4	-33.9	0	0	0	112.5	S110 C111 L112 M117 C118	S110-N114 PolarHBondContact O-N 3.02Å; S110-N114 VanDerWaalsContact O-N 3.13Å; S110-N114 PolarHBondContact O-ND2 3.34Å; C111-N114 PolarHBondContact O-N 2.98Å; L112-N114 VanDerWaalsContact C-N 3.32Å; L112-N114 PolarHBondContact O-N 3.34Å; N114-M117 PolarHBondContact O-N 2.8Å; N114-C118 WeakPolarHBondContact O-CB 3.24Å; N114-C118 PolarHBondContact O-N 3.02Å
115	F	54	Low	47	Very low	79 Å²	79	90.7 Å²	90.7	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-43.3	174.5	179.8	-96.9	0	0	0	112.4	M72 C111 L112 C118 K119	M72-F115 HydrophobicContact SD-CE2 4.24Å; C111-F115 PolarHBondContact O-N 3.44Å; L112-F115 WeakPolarHBondContact O-CB 3.37Å; L112-F115 PolarHBondContact O-N 3.03Å; F115-C118 PolarHBondContact O-N 3.33Å; F115-K119 HydrophobicContact CE1-CD 3.98Å; F115-K119 HydrophobicContact CZ-CD 4.03Å; F115-K119 HydrophobicContact CZ-CG 4.47Å; F115-K119 PolarHBondContact O-N 2.84Å
116	I	51.3	Low	47	Very low	93 Å²	93	94.2 Å²	94.2	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-42.1	177.4	-68	169.1	0	0	0	110.9	L112 M113 K119 S120	L112-I116 HydrophobicContact CD2-CD1 4.15Å; L112-I116 HydrophobicContact CG-CD1 3.9Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.85Å; M113-I116 PolarHBondContact O-N 2.91Å; I116-K119 PolarHBondContact O-N 2.91Å; I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 2.85Å; I116-S120 PolarHBondContact O-OG 3.23Å
117	M	49	Very low	47	Very low	93 Å²	93	93.2 Å²	93.2	46%	0.458	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-40	174.4	-74.8	-85.2	-85	0	0	112.6	M113 N114 S120 R121	M113-M117 WeakPolarHBondContact O-CB 3.18Å; M113-M117 WeakPolarHBondContact O-CG 3.24Å; M113-M117 PolarHBondContact O-N 3.3Å; N114-M117 PolarHBondContact O-N 2.8Å; M117-S120 PolarHBondContact O-OG 3.13Å; M117-R121 WeakPolarHBondContact O-CG 3.47Å; M117-R121 PolarHBondContact O-N 3.41Å
118	C	47.4	Very low	46.6	Very low	86 Å²	86	94.9 Å²	94.9	58%	0.581	51%	0.514	S	S	*	.	H	α-helix	trans	-69.9	-40.9	175.5	-78.5	0	0	0	0	112.6	N114 F115	N114-C118 WeakPolarHBondContact O-CB 3.24Å; N114-C118 PolarHBondContact O-N 3.02Å; F115-C118 PolarHBondContact O-N 3.33Å
119	K	46.6	Very low	46.1	Very low	95 Å²	95	96.5 Å²	96.5	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-70.5	-41.1	177.5	-102.3	-163.3	172.4	-167.4	0	113.1	F115 I116 R121 Q122 T123	F115-K119 HydrophobicContact CE1-CD 3.98Å; F115-K119 HydrophobicContact CZ-CD 4.03Å; F115-K119 HydrophobicContact CZ-CG 4.47Å; F115-K119 PolarHBondContact O-N 2.84Å; I116-K119 PolarHBondContact O-N 2.91Å; K119-R121 PolarHBondContact O-N 2.86Å; K119-Q122 PolarHBondContact O-N 2.92Å; K119-T123 PolarHBondContact O-OG1 3.08Å
120	S	43.2	Very low	45.5	Very low	59 Å²	59	96.1 Å²	96.1	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-29.6	-179.5	65.7	0	0	0	0	112.7	I116 M117 Q122	I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 2.85Å; I116-S120 PolarHBondContact O-OG 3.23Å; M117-S120 PolarHBondContact O-OG 3.13Å; S120-Q122 PolarHBondContact O-N 2.73Å
121	R	43.5	Very low	45	Very low	215 Å²	215	95.6 Å²	95.6	81%	0.811	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-3.4	172.4	-75.7	-178.4	167.9	-153.7	-2.9	115.2	M117 K119	M117-R121 WeakPolarHBondContact O-CG 3.47Å; M117-R121 PolarHBondContact O-N 3.41Å; K119-R121 PolarHBondContact O-N 2.86Å
122	Q	47.2	Very low	44.5	Very low	125 Å²	125	96.1 Å²	96.1	58%	0.584	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	1.1	-175	-69.5	-162.8	-21.6	0	0	115.7	K119 S120	K119-Q122 PolarHBondContact O-N 2.92Å; S120-Q122 PolarHBondContact O-N 2.73Å
123	T	38.4	Very low	44	Very low	46 Å²	46	97 Å²	97	28%	0.282	52%	0.524	S	S	.	.			trans	-128	114.7	-171.3	55	0	0	0	0	113.8	K119 T125 L129	K119-T123 PolarHBondContact O-OG1 3.08Å; T123-T125 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 2.85Å; T123-L129 VanDerWaalsContact OG1-CD1 3.25Å; T123-L129 WeakPolarHBondContact OG1-CD1 3.44Å
124	N	35.7	Very low	43.4	Very low	175 Å²	175	98 Å²	98	94%	0.936	53%	0.527	S	S	*	.			trans	-85.4	13.6	-178.8	-84.2	-8.7	0	0	0	115.2
125	T	42.7	Very low	43.1	Very low	78 Å²	78	96.7 Å²	96.7	48%	0.479	53%	0.526	S	S	.	.			trans	-135.2	121.8	-173.7	49.6	0	0	0	0	112.9	T123 A127	T123-T125 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 2.85Å; T125-A127 PolarHBondContact O-N 2.82Å; T125-A127 VanDerWaalsContact O-N 3.13Å
126	N	46.1	Very low	42.6	Very low	145 Å²	145	96.5 Å²	96.5	78%	0.775	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-20	-177.9	-69.5	-33.7	0	0	0	114.3
127	A	45.7	Very low	42.3	Very low	82 Å²	82	95.5 Å²	95.5	68%	0.678	52%	0.523	S	S	*	.	H	α-helix	trans	-69.4	-43.6	-174.6	0	0	0	0	0	113.5	T125 V130 G131	T125-A127 PolarHBondContact O-N 2.82Å; T125-A127 VanDerWaalsContact O-N 3.13Å; A127-V130 PolarHBondContact O-N 2.87Å; A127-G131 PolarHBondContact O-N 2.89Å
128	E	39.8	Very low	42.1	Very low	121 Å²	121	96.1 Å²	96.1	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-71.5	-30.8	179.7	-77.2	-164.5	104.9	0	0	112.6	V130 G131 N132	E128-V130 VanDerWaalsContact C-N 3.33Å; E128-V130 PolarHBondContact O-N 2.82Å; E128-G131 PolarHBondContact O-N 3.22Å; E128-N132 PolarHBondContact O-N 2.78Å; E128-N132 VanDerWaalsContact O-N 3.11Å; E128-N132 PolarHBondContact O-ND2 2.97Å
129	L	36.9	Very low	42	Very low	72 Å²	72	98.3 Å²	98.3	38%	0.377	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-41.9	175.8	-108.6	77.2	0	0	0	111.9	T123 V133	T123-L129 VanDerWaalsContact OG1-CD1 3.25Å; T123-L129 WeakPolarHBondContact OG1-CD1 3.44Å; L129-V133 VanDerWaalsContact O-CG2 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.23Å; L129-V133 PolarHBondContact O-N 2.89Å
130	V	40.1	Very low	42	Very low	87 Å²	87	97.5 Å²	97.5	53%	0.527	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-42.9	-179.4	175.2	0	0	0	0	111.2	A127 E128 V133 H134	A127-V130 PolarHBondContact O-N 2.87Å; E128-V130 VanDerWaalsContact C-N 3.33Å; E128-V130 PolarHBondContact O-N 2.82Å; V130-V133 PolarHBondContact O-N 2.92Å; V130-H134 PolarHBondContact O-CD2 2.69Å; V130-H134 PolarHBondContact O-N 2.98Å
131	G	38.2	Very low	42.3	Very low	45 Å²	45	100.8 Å²	100.8	46%	0.464	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-42.7	177.7	0	0	0	0	0	113.6	A127 E128 V133 H134 S135	A127-G131 PolarHBondContact O-N 2.89Å; E128-G131 PolarHBondContact O-N 3.22Å; G131-V133 VanDerWaalsContact C-N 3.33Å; G131-V133 PolarHBondContact O-N 2.88Å; G131-H134 PolarHBondContact O-N 2.95Å; G131-S135 PolarHBondContact O-N 3.47Å
132	N	36.2	Very low	42.5	Very low	78 Å²	78	93.2 Å²	93.2	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-70.8	-25.3	178.8	-76.3	-94.9	0	0	0	113.1	E128 S135	E128-N132 PolarHBondContact O-N 2.78Å; E128-N132 VanDerWaalsContact O-N 3.11Å; E128-N132 PolarHBondContact O-ND2 2.97Å; N132-S135 PolarHBondContact O-OG 2.91Å
133	V	42	Very low	42.5	Very low	66 Å²	66	91.3 Å²	91.3	40%	0.4	51%	0.506	S	S	.	.	H	α-helix	trans	-75.9	-39.8	174.8	168.9	0	0	0	0	111.4	L129 V130 G131 F136 T137	L129-V133 VanDerWaalsContact O-CG2 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.23Å; L129-V133 PolarHBondContact O-N 2.89Å; V130-V133 PolarHBondContact O-N 2.92Å; G131-V133 VanDerWaalsContact C-N 3.33Å; G131-V133 PolarHBondContact O-N 2.88Å; V133-F136 PolarHBondContact O-N 3.3Å; V133-T137 PolarHBondContact O-N 3.49Å; V133-T137 PolarHBondContact O-OG1 2.85Å
134	H	39.3	Very low	42.8	Very low	117 Å²	117	90.8 Å²	90.8	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-46.7	179.8	-88.4	-66.5	0	0	0	113	V130 G131 F136 T137 D138	V130-H134 PolarHBondContact O-CD2 2.69Å; V130-H134 PolarHBondContact O-N 2.98Å; G131-H134 PolarHBondContact O-N 2.95Å; H134-F136 PolarHBondContact O-N 3.45Å; H134-T137 WeakPolarHBondContact CA-OG1 3.41Å; H134-T137 PolarHBondContact O-N 3.09Å; H134-T137 VanDerWaalsContact O-N 3.16Å; H134-T137 PolarHBondContact O-OG1 2.63Å; H134-D138 PolarHBondContact O-N 2.93Å
135	S	43.1	Very low	43.3	Very low	73 Å²	73	85.7 Å²	85.7	51%	0.51	48%	0.475	S	S	.	.	H	α-helix	trans	-62.7	-28.4	177.1	58.8	0	0	0	0	113.1	G131 N132 Y139	G131-S135 PolarHBondContact O-N 3.47Å; N132-S135 PolarHBondContact O-OG 2.91Å; S135-Y139 PolarHBondContact O-N 2.84Å; S135-Y139 VanDerWaalsContact O-N 3.11Å
136	F	42.4	Very low	43.6	Very low	76 Å²	76	87 Å²	87	33%	0.333	48%	0.479	S	S	.	.	H	α-helix	trans	-75.3	-39.4	174	-175.1	-102.2	0	0	0	112.9	L112 V133 H134 D138 Y139 I140	L112-F136 HydrophobicContact CD1-CD2 4.31Å; L112-F136 HydrophobicContact CD1-CE2 3.69Å; L112-F136 HydrophobicContact CD1-CZ 3.91Å; L112-F136 HydrophobicContact CD2-CE1 3.67Å; L112-F136 HydrophobicContact CD2-CE2 4.01Å; L112-F136 HydrophobicContact CD2-CZ 3.3Å; L112-F136 HydrophobicContact CG-CZ 4.25Å; V133-F136 PolarHBondContact O-N 3.3Å; H134-F136 PolarHBondContact O-N 3.45Å; F136-D138 VanDerWaalsContact C-N 3.28Å; F136-D138 PolarHBondContact O-N 3.08Å; F136-Y139 HydrophobicContact CE2-CD1 4.41Å; F136-Y139 PolarHBondContact O-N 3.48Å; F136-I140 HydrophobicContact CD1-CG1 4.11Å; F136-I140 HydrophobicContact CE1-CD1 4.17Å; F136-I140 HydrophobicContact CE1-CG1 3.53Å; F136-I140 HydrophobicContact CE2-CD1 4.13Å; F136-I140 HydrophobicContact CE2-CG1 3.99Å; F136-I140 HydrophobicContact CZ-CD1 3.62Å; F136-I140 HydrophobicContact CZ-CG1 3.44Å; F136-I140 VanDerWaalsContact CZ-CG1 3.44Å; F136-I140 WeakPolarHBondContact O-CG1 3.37Å; F136-I140 PolarHBondContact O-N 3.21Å
137	T	44.5	Very low	43.5	Very low	72 Å²	72	83.5 Å²	83.5	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-37.8	172	41.4	0	0	0	0	112	V133 H134 F141	V133-T137 PolarHBondContact O-N 3.49Å; V133-T137 PolarHBondContact O-OG1 2.85Å; H134-T137 WeakPolarHBondContact CA-OG1 3.41Å; H134-T137 PolarHBondContact O-N 3.09Å; H134-T137 VanDerWaalsContact O-N 3.16Å; H134-T137 PolarHBondContact O-OG1 2.63Å; T137-F141 VanDerWaalsContact O-CB 3.24Å; T137-F141 WeakPolarHBondContact O-CB 3.47Å; T137-F141 PolarHBondContact O-N 3.1Å
138	D	44.5	Very low	43.2	Very low	106 Å²	106	85.3 Å²	85.3	57%	0.567	45%	0.447	S	S	*	.	H	α-helix	trans	-66.9	-39.4	176.1	-65.3	-24.9	0	0	0	111.7	H134 F136 A142	H134-D138 PolarHBondContact O-N 2.93Å; F136-D138 VanDerWaalsContact C-N 3.28Å; F136-D138 PolarHBondContact O-N 3.08Å; D138-A142 VanDerWaalsContact O-CB 3.26Å; D138-A142 WeakPolarHBondContact O-CB 3.4Å; D138-A142 PolarHBondContact O-N 3.07Å
139	Y	46.1	Very low	43.3	Very low	131 Å²	131	86.3 Å²	86.3	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-49.5	174.6	177.7	-101.2	0	0	0	112.5	S135 F136 F141 A142 Q143	S135-Y139 PolarHBondContact O-N 2.84Å; S135-Y139 VanDerWaalsContact O-N 3.11Å; F136-Y139 HydrophobicContact CE2-CD1 4.41Å; F136-Y139 PolarHBondContact O-N 3.48Å; Y139-F141 VanDerWaalsContact C-N 3.33Å; Y139-F141 PolarHBondContact O-N 2.7Å; Y139-A142 PolarHBondContact O-N 2.72Å; Y139-Q143 WeakPolarHBondContact O-CB 3.36Å; Y139-Q143 PolarHBondContact O-N 3.42Å
140	I	46.3	Very low	43.4	Very low	79 Å²	79	85.9 Å²	85.9	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-40.5	177.4	-68.6	-64.6	0	0	0	111.1	F136 Q143 S144	F136-I140 HydrophobicContact CD1-CG1 4.11Å; F136-I140 HydrophobicContact CE1-CD1 4.17Å; F136-I140 HydrophobicContact CE1-CG1 3.53Å; F136-I140 HydrophobicContact CE2-CD1 4.13Å; F136-I140 HydrophobicContact CE2-CG1 3.99Å; F136-I140 HydrophobicContact CZ-CD1 3.62Å; F136-I140 HydrophobicContact CZ-CG1 3.44Å; F136-I140 VanDerWaalsContact CZ-CG1 3.44Å; F136-I140 WeakPolarHBondContact O-CG1 3.37Å; F136-I140 PolarHBondContact O-N 3.21Å; I140-Q143 PolarHBondContact O-N 3.4Å; I140-S144 WeakPolarHBondContact O-CB 3.29Å; I140-S144 PolarHBondContact O-N 2.87Å; I140-S144 PolarHBondContact O-OG 2.91Å
141	F	49.3	Very low	43.3	Very low	128 Å²	128	89.6 Å²	89.6	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-60.1	-51.9	173.8	-176.5	-102.2	0	0	0	110.7	T137 Y139 Q143 S144 Q145	T137-F141 VanDerWaalsContact O-CB 3.24Å; T137-F141 WeakPolarHBondContact O-CB 3.47Å; T137-F141 PolarHBondContact O-N 3.1Å; Y139-F141 VanDerWaalsContact C-N 3.33Å; Y139-F141 PolarHBondContact O-N 2.7Å; F141-Q143 PolarHBondContact O-N 3.43Å; F141-S144 PolarHBondContact O-N 3.05Å; F141-S144 PolarHBondContact O-OG 2.87Å; F141-Q145 HydrophobicContact CD1-CG 4.19Å; F141-Q145 HydrophobicContact CE1-CG 3.91Å; F141-Q145 HydrophobicContact CZ-CG 4.09Å; F141-Q145 VanDerWaalsContact CZ-NE2 3.27Å; F141-Q145 WeakPolarHBondContact O-CG 3.42Å; F141-Q145 PolarHBondContact O-N 2.79Å
142	A	47.5	Very low	43.3	Very low	55 Å²	55	98.1 Å²	98.1	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-44.3	178.2	0	0	0	0	0	112.7	D138 Y139 Q145 L146	D138-A142 VanDerWaalsContact O-CB 3.26Å; D138-A142 WeakPolarHBondContact O-CB 3.4Å; D138-A142 PolarHBondContact O-N 3.07Å; Y139-A142 PolarHBondContact O-N 2.72Å; A142-Q145 CarbonylContact O-C 3.6Å; A142-Q145 PolarHBondContact O-N 3.42Å; A142-Q145 VanDerWaalsContact O-N 3.17Å; A142-L146 PolarHBondContact O-N 3.23Å
143	Q	48.2	Very low	43.3	Very low	86 Å²	86	104.7 Å²	104.7	40%	0.402	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-40.8	178.1	-159.8	68.8	-0.1	0	0	111.6	Y139 I140 F141 Q145 L146 E147	Y139-Q143 WeakPolarHBondContact O-CB 3.36Å; Y139-Q143 PolarHBondContact O-N 3.42Å; I140-Q143 PolarHBondContact O-N 3.4Å; F141-Q143 PolarHBondContact O-N 3.43Å; Q143-Q145 VanDerWaalsContact C-N 3.29Å; Q143-Q145 PolarHBondContact O-N 3.01Å; Q143-L146 WeakPolarHBondContact O-CA 3.21Å; Q143-L146 WeakPolarHBondContact O-CB 3.49Å; Q143-L146 PolarHBondContact O-N 3.29Å; Q143-L146 VanDerWaalsContact O-N 3.09Å; Q143-E147 PolarHBondContact O-N 3.08Å
144	S	45.2	Very low	42.9	Very low	34 Å²	34	105.6 Å²	105.6	24%	0.238	51%	0.507	C	S	.	.	H	α-helix	trans	-67.5	-26.7	174.2	83.1	0	0	0	0	113.1	I140 F141 R148	I140-S144 WeakPolarHBondContact O-CB 3.29Å; I140-S144 PolarHBondContact O-N 2.87Å; I140-S144 PolarHBondContact O-OG 2.91Å; F141-S144 PolarHBondContact O-N 3.05Å; F141-S144 PolarHBondContact O-OG 2.87Å; S144-R148 VanDerWaalsContact C-NH1 3.31Å; S144-R148 VanDerWaalsContact CB-NH1 3.27Å; S144-R148 WeakPolarHBondContact O-CB 3.5Å; S144-R148 VanDerWaalsContact O-CG 3.28Å; S144-R148 WeakPolarHBondContact O-CG 3.46Å; S144-R148 PolarHBondContact O-N 3.06Å; S144-R148 VanDerWaalsContact O-N 3.17Å; S144-R148 PolarHBondContact O-NH1 2.66Å; S144-R148 PolarHBondContact OG-NH1 3.23Å
145	Q	46.1	Very low	42.4	Very low	68 Å²	68	107.9 Å²	107.9	32%	0.318	52%	0.517	S	S	.	.	H	α-helix	trans	-76.8	-30.4	170.4	-65.3	-62.6	-12.2	0	0	111.7	F141 A142 Q143 K149	F141-Q145 HydrophobicContact CD1-CG 4.19Å; F141-Q145 HydrophobicContact CE1-CG 3.91Å; F141-Q145 HydrophobicContact CZ-CG 4.09Å; F141-Q145 VanDerWaalsContact CZ-NE2 3.27Å; F141-Q145 WeakPolarHBondContact O-CG 3.42Å; F141-Q145 PolarHBondContact O-N 2.79Å; A142-Q145 CarbonylContact O-C 3.6Å; A142-Q145 PolarHBondContact O-N 3.42Å; A142-Q145 VanDerWaalsContact O-N 3.17Å; Q143-Q145 VanDerWaalsContact C-N 3.29Å; Q143-Q145 PolarHBondContact O-N 3.01Å; Q145-K149 WeakPolarHBondContact O-CB 3.16Å; Q145-K149 VanDerWaalsContact O-CG 3.26Å; Q145-K149 WeakPolarHBondContact O-CG 3.47Å; Q145-K149 PolarHBondContact O-N 2.85Å
146	L	47.4	Very low	41.6	Very low	107 Å²	107	114.6 Å²	114.6	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-67.2	-46.6	173.7	-151	76.2	0	0	0	110.9	A142 Q143 K149 A150	A142-L146 PolarHBondContact O-N 3.23Å; Q143-L146 WeakPolarHBondContact O-CA 3.21Å; Q143-L146 WeakPolarHBondContact O-CB 3.49Å; Q143-L146 PolarHBondContact O-N 3.29Å; Q143-L146 VanDerWaalsContact O-N 3.09Å; L146-K149 CarbonylContact O-C 3.6Å; L146-K149 PolarHBondContact O-N 3.08Å; L146-A150 PolarHBondContact O-N 2.83Å
147	E	45.1	Very low	40.9	Very low	70 Å²	70	116.7 Å²	116.7	33%	0.327	55%	0.554	S	S	.	*	H	α-helix	trans	-60	-46.4	172.6	-80	-164.8	-159.8	0	0	112.4	Q105 Q143 K149 A150 R151	Q105-E147 PolarHBondContact NE2-OE1 3.46Å; Q143-E147 PolarHBondContact O-N 3.08Å; E147-K149 PolarHBondContact O-N 2.79Å; E147-A150 PolarHBondContact O-N 3.39Å; E147-A150 VanDerWaalsContact O-N 3.1Å; E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 2.87Å; E147-R151 IonicContact OE2-CZ 3.67Å; E147-R151 IonicContact OE2-NE 2.79Å; E147-R151 IonicContact OE2-NH2 2.64Å; E147-R151 PolarHBondContact OE2-NH2 2.79Å
148	R	40	Very low	40	Very low	121 Å²	121	120.7 Å²	120.7	46%	0.457	57%	0.572	S	S	.	*	H	α-helix	trans	-61.6	-32.2	176.6	-73.5	-179.3	-167.7	95.8	-9.5	112.1	S144 R152	S144-R148 VanDerWaalsContact C-NH1 3.31Å; S144-R148 VanDerWaalsContact CB-NH1 3.27Å; S144-R148 WeakPolarHBondContact O-CB 3.5Å; S144-R148 VanDerWaalsContact O-CG 3.28Å; S144-R148 WeakPolarHBondContact O-CG 3.46Å; S144-R148 PolarHBondContact O-N 3.06Å; S144-R148 VanDerWaalsContact O-N 3.17Å; S144-R148 PolarHBondContact O-NH1 2.66Å; S144-R148 PolarHBondContact OG-NH1 3.23Å; R148-R152 WeakPolarHBondContact O-CB 3.29Å; R148-R152 VanDerWaalsContact O-CG 3.31Å; R148-R152 WeakPolarHBondContact O-CG 3.29Å; R148-R152 PolarHBondContact O-N 2.64Å; R148-R152 VanDerWaalsContact O-N 3.14Å
149	K	41.7	Very low	39.2	Very low	142 Å²	142	123.8 Å²	123.8	62%	0.617	59%	0.587	S	S	*	*	H	α-helix	trans	-74.8	-31.8	173	-76.3	172.4	-179.9	177.4	0	113.3	Q145 L146 E147 R153	Q145-K149 WeakPolarHBondContact O-CB 3.16Å; Q145-K149 VanDerWaalsContact O-CG 3.26Å; Q145-K149 WeakPolarHBondContact O-CG 3.47Å; Q145-K149 PolarHBondContact O-N 2.85Å; L146-K149 CarbonylContact O-C 3.6Å; L146-K149 PolarHBondContact O-N 3.08Å; E147-K149 PolarHBondContact O-N 2.79Å; K149-R153 PolarHBondContact O-N 3.04Å
150	A	39.1	Very low	38.2	Very low	63 Å²	63	126.5 Å²	126.5	52%	0.521	60%	0.601	S	S	.	*	H	α-helix	trans	-68.1	-50.6	173.1	0	0	0	0	0	111.2	L146 E147 R152 R153	L146-A150 PolarHBondContact O-N 2.83Å; E147-A150 PolarHBondContact O-N 3.39Å; E147-A150 VanDerWaalsContact O-N 3.1Å; A150-R152 VanDerWaalsContact C-N 3.26Å; A150-R152 PolarHBondContact O-N 2.87Å; A150-R153 PolarHBondContact O-N 2.91Å
151	R	37.5	Very low	37.2	Very low	165 Å²	165	129.2 Å²	129.2	62%	0.623	62%	0.622	S	S	*	*	H	α-helix	trans	-59.4	-34.8	176.4	-62.4	172.6	-160.3	-109.2	7.7	112	E147 R153 S154	E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 2.87Å; E147-R151 IonicContact OE2-CZ 3.67Å; E147-R151 IonicContact OE2-NE 2.79Å; E147-R151 IonicContact OE2-NH2 2.64Å; E147-R151 PolarHBondContact OE2-NH2 2.79Å; R151-R153 VanDerWaalsContact C-N 3.29Å; R151-R153 PolarHBondContact O-N 3.31Å; R151-S154 PolarHBondContact O-OG 3.07Å
152	R	38.4	Very low	36	Very low	223 Å²	223	132.3 Å²	132.3	84%	0.842	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-1.9	173.3	-74	-177.1	178.2	-160.9	-0.5	115.4	R148 A150	R148-R152 WeakPolarHBondContact O-CB 3.29Å; R148-R152 VanDerWaalsContact O-CG 3.31Å; R148-R152 WeakPolarHBondContact O-CG 3.29Å; R148-R152 PolarHBondContact O-N 2.64Å; R148-R152 VanDerWaalsContact O-N 3.14Å; A150-R152 VanDerWaalsContact C-N 3.26Å; A150-R152 PolarHBondContact O-N 2.87Å
153	R	35.6	Very low	34.8	Very low	216 Å²	216	134.2 Å²	134.2	82%	0.815	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-6.6	174.2	-92.4	-177.3	166.4	-180	-5.1	114.1	K149 A150 R151 H155	K149-R153 PolarHBondContact O-N 3.04Å; A150-R153 PolarHBondContact O-N 2.91Å; R151-R153 VanDerWaalsContact C-N 3.29Å; R151-R153 PolarHBondContact O-N 3.31Å; R153-H155 VanDerWaalsContact C-N 3.35Å; R153-H155 PolarHBondContact O-N 2.83Å
154	S	33.3	Very low	33.8	Very low	85 Å²	85	140.9 Å²	140.9	59%	0.594	67%	0.669	S	S	*	*	S	Bend	trans	-91.2	18.2	-178	58.4	0	0	0	0	114.8	R151	R151-S154 PolarHBondContact O-OG 3.07Å
155	H	28.9	Very low	32.8	Very low	165 Å²	165	143.4 Å²	143.4	76%	0.764	69%	0.686	S	S	*	*			trans	-121.3	94.5	176.8	-69.5	-21.9	0	0	0	111.1	R153	R153-H155 VanDerWaalsContact C-N 3.35Å; R153-H155 PolarHBondContact O-N 2.83Å
156	Y	26.7	Very low	31.9	Very low	214 Å²	214	147.6 Å²	147.6	84%	0.839	71%	0.711	S	S	*	*			trans	-123	146.1	160.1	-86.8	-86.1	0	0	0	108.5
157	P	27.4	Very low	30.9	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	72%	0.718	S	S	*	*			trans	-80.6	154.7	-166.8	31.3	-35.8	0	0	0	114.7
158	I	26.1	Very low	30	Very low	157 Å²	157	151.1 Å²	151.1	81%	0.805	74%	0.74	S	S	*	*			trans	-40.8	134.1	175.9	-63.3	154.5	0	0	0	114.1
159	L	26.1	Very low	29.4	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	76%	0.761	S	S	*	*			trans	-93.3	128.7	151.5	-80	174.8	0	0	0	109.9
160	K	25.5	Very low	28.6	Very low	188 Å²	188	150.4 Å²	150.4	82%	0.817	76%	0.763	S	S	*	*			trans	-77.9	125.2	172.7	-71.6	177.6	174.6	178.1	0	110.6
161	T	25.8	Very low	28.1	Very low	137 Å²	137	153 Å²	153	84%	0.84	78%	0.777	S	S	*	*			trans	-141.9	137.1	145.5	42.5	0	0	0	0	110.7
162	F	24.2	Very low	27.4	Very low	192 Å²	192	152.5 Å²	152.5	84%	0.842	79%	0.786	S	S	*	*			trans	-56.5	142.1	-166.5	-68.4	-97.9	0	0	0	116.5
163	S	22.8	Very low	26.7	Very low	95 Å²	95	147.6 Å²	147.6	66%	0.664	78%	0.781	S	S	*	*			trans	-36.9	142.8	147.1	51.9	0	0	0	0	114.8
164	Y	26.1	Very low	26.2	Very low	226 Å²	226	142.4 Å²	142.4	89%	0.886	78%	0.777	S	S	*	*				-156.1	146.9	122.8	-113.1	-74.7	0	0	0	110.6
165	S	25.8	Very low	25.9	Very low	87 Å²	87	145.5 Å²	145.5	61%	0.608	79%	0.787	S	S	*	*			trans	-84.7	151.5	171.1	58.1	0	0	0	0	111
166	N	25.6	Very low	25.7	Very low	156 Å²	156	143 Å²	143	83%	0.834	78%	0.783	S	S	*	*				178.2	175.4	117.5	-86	-6.5	0	0	0	112.3
167	S	27.6	Very low	25.6	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	78%	0.783	S	S	*	*			trans	-89.4	-172	-169.9	55.1	0	0	0	0	114.2
168	L	25.4	Very low	25.6	Very low	150 Å²	150	139.9 Å²	139.9	79%	0.785	78%	0.781	S	S	*	*			trans	81.3	125.7	-179	-49.9	172.5	0	0	0	112.6
169	N	27.5	Very low	25.6	Very low	169 Å²	169	138.7 Å²	138.7	90%	0.904	78%	0.776	S	S	*	*			cis	67	47.5	18.7	-126.9	23.6	0	0	0	113.9
170	A	25.5	Very low	25.7	Very low	79 Å²	79	137.7 Å²	137.7	65%	0.653	77%	0.766	S	S	*	*			trans	-151.4	148.1	162.2	0	0	0	0	0	109.3
171	S	27.4	Very low	25.9	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	76%	0.76	S	S	*	*			trans	51.9	99.7	170.8	-52.7	0	0	0	0	115.9
172	L	23.3	Very low	26	Very low	155 Å²	155	135.1 Å²	135.1	81%	0.812	76%	0.755	S	S	*	*			cis	58.6	120.9	33.9	-110.5	173.9	0	0	0	114
173	T	24.3	Very low	26.3	Very low	121 Å²	121	130.6 Å²	130.6	74%	0.742	75%	0.747	S	S	*	*			trans	76.5	138.7	167.3	68.4	0	0	0	0	120.6
174	S	24.8	Very low	26.7	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	75%	0.752	S	S	*	*			trans	65.8	137.1	175.7	77.5	0	0	0	0	115.8
175	L	26.3	Very low	26.9	Very low	151 Å²	151	133.7 Å²	133.7	79%	0.791	75%	0.747	S	S	*	*			cis	-130.3	147	-3.9	-73.9	93.8	0	0	0	107.1
176	V	25.6	Very low	27	Very low	112 Å²	112	135.8 Å²	135.8	68%	0.679	75%	0.752	S	S	*	*			cis	66.4	99.8	21.9	-172.1	0	0	0	0	114.8
177	E	24.8	Very low	27.3	Very low	181 Å²	181	136.9 Å²	136.9	85%	0.846	75%	0.749	S	S	*	*			trans	67	151	168.2	-62.2	164.1	164	0	0	115.6
178	A	26.9	Very low	27.5	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	76%	0.755	S	S	*	*			cis	-165.2	-173.5	-28	0	0	0	0	0	106.7
179	D	27.3	Very low	27.7	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	75%	0.749	S	S	*	*			cis	-164.8	169.7	2.9	-156.2	-5.9	0	0	0	112.2
180	H	27.2	Very low	27.9	Very low	150 Å²	150	133.1 Å²	133.1	69%	0.694	74%	0.74	S	S	*	*			trans	77.2	153.3	137.8	-108.4	72.1	0	0	0	125.3
181	V	29.4	Very low	28.1	Very low	112 Å²	112	138.1 Å²	138.1	68%	0.679	74%	0.743	S	S	*	*			trans	91.5	100.9	156.1	177.3	0	0	0	0	121.5
182	H	28.7	Very low	28.3	Very low	159 Å²	159	141 Å²	141	74%	0.736	74%	0.741	S	S	*	*			trans	42	113.5	136	-66.3	-75.8	0	0	0	121.7
183	S	29.6	Very low	28.5	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	73%	0.734	S	S	*	*				77	117.3	59.1	82.2	0	0	0	0	116.8
184	K	30.9	Very low	28.9	Very low	178 Å²	178	141.8 Å²	141.8	77%	0.774	74%	0.737	S	S	*	*			trans	-161	109.3	142.2	-141.4	162.9	-174.3	174	0	116.8
185	W	30.5	Very low	29.1	Very low	208 Å²	208	147.5 Å²	147.5	79%	0.788	74%	0.742	S	S	*	*			trans	67.6	126.9	140.5	-68.1	31.3	0	0	0	117.9
186	D	28.1	Very low	29.2	Very low	131 Å²	131	151.4 Å²	151.4	70%	0.701	75%	0.747	S	S	*	*			cis	101.5	109.9	42.2	-85.6	-52.8	0	0	0	112.7
187	K	33	Very low	29.3	Very low	180 Å²	180	156.3 Å²	156.3	78%	0.783	75%	0.753	S	S	*	*				179.4	138.5	113.6	-101	173.9	178.6	176.6	0	115.2
188	L	30.9	Very low	29.6	Very low	162 Å²	162	158.2 Å²	158.2	85%	0.848	75%	0.752	S	S	*	*			trans	57.7	124	146.5	-62.5	162.8	0	0	0	119.2
189	G	30.7	Very low	29.5	Very low	62 Å²	62	162.4 Å²	162.4	64%	0.639	75%	0.749	S	S	*	*			cis	133.3	135.9	-13.1	0	0	0	0	0	115
190	T	30.4	Very low	29.9	Very low	117 Å²	117	163.4 Å²	163.4	72%	0.718	75%	0.749	S	S	*	*			trans	58.1	131.3	166.8	52.3	0	0	0	0	117.1
191	Y	30.5	Very low	29.9	Very low	185 Å²	185	164.1 Å²	164.1	73%	0.725	75%	0.747	S	S	*	*			cis	-158.4	170	44.4	-76	-81.8	0	0	0	109.9
192	F	31.3	Very low	29.7	Very low	176 Å²	176	164.6 Å²	164.6	77%	0.772	75%	0.746	S	S	*	*			cis	-143.8	178.7	-0.3	-121.8	-50.4	0	0	0	109.6
193	T	28.1	Very low	29.5	Very low	107 Å²	107	160.8 Å²	160.8	66%	0.656	74%	0.737	S	S	*	*			trans	-124.3	168	-167	57.6	0	0	0	0	114.9
194	K	31.9	Very low	29.6	Very low	186 Å²	186	164.7 Å²	164.7	81%	0.809	75%	0.745	S	S	*	*			trans	100.2	143	170.6	-56.6	152.9	-172.7	170.7	0	113.2
195	R	28.3	Very low	29.4	Very low	225 Å²	225	161.5 Å²	161.5	85%	0.849	75%	0.745	S	S	*	*			cis	-153.2	132.9	17.3	-144.1	172.6	-168.3	175.8	1.3	113.2
196	R	28.3	Very low	29.3	Very low	234 Å²	234	155.1 Å²	155.1	88%	0.883	74%	0.743	S	S	*	*			trans	21.5	160	150	-63.7	-177.8	174	-171.8	-2.2	123.8
197	R	27.8	Very low	29.4	Very low	214 Å²	214	156.6 Å²	156.6	81%	0.808	75%	0.751	S	S	*	*			cis	171.5	125.3	-30.2	-153.7	-173.8	-157.8	-172.5	6.3	110.7
198	R	30.7	Very low	29.1	Very low	221 Å²	221	152.5 Å²	152.5	83%	0.834	74%	0.744	S	S	*	*			trans	156.4	132.7	155.3	-98.8	173.2	162.8	132.8	-3.3	107.8
199	R	26.2	Very low	29	Very low	176 Å²	176	149.9 Å²	149.9	66%	0.664	74%	0.74	S	S	*	*			cis	66	133.8	29.3	-58.7	-168.1	-179.8	-168.2	-2.4	112.5
200	H	35	Very low	29	Very low	153 Å²	153	151.6 Å²	151.6	71%	0.708	74%	0.739	S	S	*	*			cis	-125.1	159.3	41.8	-71.1	-99.4	0	0	0	112.1
201	Y	26.8	Very low	29	Very low	164 Å²	164	154.1 Å²	154.1	64%	0.643	74%	0.743	S	S	*	*				63.1	134.3	55.1	-82.1	-116.6	0	0	0	113
202	N	25.8	Very low	29	Very low	123 Å²	123	151.3 Å²	151.3	66%	0.658	74%	0.741	S	S	*	*			cis	-162.8	163.4	-8	-131.9	47.9	0	0	0	113.3
203	S	25.3	Very low	28.8	Very low	78 Å²	78	149 Å²	149	55%	0.545	74%	0.737	S	S	.	*			trans	1.9	168.9	149.1	64.9	0	0	0	0	125
204	E	30.4	Very low	29	Very low	178 Å²	178	152.1 Å²	152.1	83%	0.832	75%	0.748	S	S	*	*			trans	80.5	155.1	162.1	-62.5	171.6	151.5	0	0	117.2
205	S	28.1	Very low	28.6	Very low	112 Å²	112	149 Å²	149	78%	0.783	75%	0.75	S	S	*	*				177.6	132.2	-60.5	48.1	0	0	0	0	110.5
206	G	27.3	Very low	28.7	Very low	73 Å²	73	143 Å²	143	75%	0.753	74%	0.742	S	S	*	*			trans	112.7	146.6	154.4	0	0	0	0	0	118.8
207	L	29.8	Very low	28.6	Very low	163 Å²	163	139.3 Å²	139.3	85%	0.853	74%	0.739	S	S	*	*			trans	72.7	92.7	151.3	-57.6	173.6	0	0	0	120.1
208	S	27.7	Very low	28.6	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	74%	0.74	S	S	*	*				50.6	104	123	62.4	0	0	0	0	120.7
209	S	27.7	Very low	28.4	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	74%	0.737	S	S	*	*				47.8	156.1	111.4	70.8	0	0	0	0	122
210	P	32.4	Very low	28.6	Very low	97 Å²	97	133.1 Å²	133.1	63%	0.63	75%	0.745	S	S	*	*			cis	-133.6	-179.5	3.2	37	-17.1	0	0	0	115.9
211	E	29.3	Very low	28.1	Very low	170 Å²	170	133.1 Å²	133.1	79%	0.794	75%	0.75	S	S	*	*			trans	76.3	141.3	141.2	-83.7	150.8	-152.7	0	0	123.8
212	D	30.4	Very low	28.4	Very low	127 Å²	127	131.3 Å²	131.3	68%	0.679	76%	0.756	S	S	*	*			trans	68.2	93.8	149.9	-70.9	-7.9	0	0	0	123.3
213	N	28.4	Very low	28.6	Very low	128 Å²	128	133.3 Å²	133.3	68%	0.684	76%	0.761	S	S	*	*				53.7	109.5	106	-70.8	-54.9	0	0	0	118.4
214	L	30.5	Very low	28.7	Very low	171 Å²	171	136 Å²	136	90%	0.895	77%	0.77	S	S	*	*				-166.8	121.4	112.8	-104.9	168.2	0	0	0	111.8
215	S	25.3	Very low	28.8	Very low	122 Å²	122	133.7 Å²	133.7	85%	0.853	77%	0.768	S	S	*	*			trans	-89.9	115.2	173	-52.5	0	0	0	0	111
216	S	29	Very low	29.1	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	77%	0.769	S	S	*	*			trans	-159.2	158.2	160.5	73.2	0	0	0	0	112.5
217	L	27.7	Very low	29.1	Very low	156 Å²	156	140 Å²	140	82%	0.817	77%	0.77	S	S	*	*			trans	61.1	91.8	165.3	-62	164.7	0	0	0	115.7
218	L	27.5	Very low	29.4	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	77%	0.768	S	S	*	*				78.3	124.7	76.3	-160.9	91.5	0	0	0	113
219	L	25.1	Very low	29.8	Very low	149 Å²	149	142.3 Å²	142.3	78%	0.78	77%	0.767	S	S	*	*			trans	-59.8	132.4	178	-73.5	157.1	0	0	0	112.7
220	Q	30.7	Very low	30.2	Very low	175 Å²	175	142.8 Å²	142.8	82%	0.818	76%	0.761	S	S	*	*			trans	-148.6	84.6	154.1	-160.7	142.6	35.9	0	0	111.4	V222	Q220-V222 HydrophobicContact CG-CG2 4.27Å; Q220-V222 PolarHBondContact O-N 3.02Å
221	D	25.9	Very low	30.6	Very low	154 Å²	154	145 Å²	145	82%	0.824	77%	0.768	S	S	*	*			trans	-66.1	97.7	172.8	-67.9	-50.6	0	0	0	110.6
222	V	33	Very low	31.2	Very low	126 Å²	126	144.1 Å²	144.1	76%	0.764	76%	0.764	S	S	*	*			trans	-133.9	133.5	165.8	-174.8	0	0	0	0	111	Q220	Q220-V222 HydrophobicContact CG-CG2 4.27Å; Q220-V222 PolarHBondContact O-N 3.02Å
223	E	30.2	Very low	31.7	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	76%	0.763	S	S	*	*			trans	-59	139.1	-168.9	-67.3	-179.4	121.6	0	0	118.3
224	N	26.9	Very low	32.3	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	76%	0.756	S	S	*	*			trans	78.4	141.9	134.4	-63.9	-27.1	0	0	0	123.5
225	T	33	Very low	32.7	Very low	129 Å²	129	142 Å²	142	79%	0.791	74%	0.742	S	S	*	*			trans	75.4	87.1	152.3	29.5	0	0	0	0	121.1
226	E	32.8	Very low	33.2	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	74%	0.739	S	S	*	*			trans	33.5	107.2	131	-59.2	-170.8	138.5	0	0	120.8
227	N	27.8	Very low	33.4	Very low	147 Å²	147	145 Å²	145	79%	0.786	74%	0.744	S	S	*	*				48.3	125	124.9	-56.9	-22.8	0	0	0	120.4
228	K	36.6	Very low	33.3	Very low	188 Å²	188	145.4 Å²	145.4	82%	0.817	75%	0.746	S	S	*	*				-172.6	131.9	103.2	-97.9	-168.2	178.5	-178.6	0	114.9
229	N	35.3	Very low	33.5	Very low	115 Å²	115	143.9 Å²	143.9	62%	0.615	75%	0.748	S	S	*	*			trans	75.6	114.7	136.1	-74.4	60.6	0	0	0	123.2
230	D	36.7	Very low	33.6	Very low	118 Å²	118	142.5 Å²	142.5	63%	0.631	75%	0.746	S	S	*	*				91.6	123.4	121.3	-53	-5.3	0	0	0	122
231	D	40.5	Very low	33.3	Very low	144 Å²	144	141 Å²	141	77%	0.77	74%	0.744	S	S	*	*			trans	66.9	146.5	141.4	-53.6	-6.2	0	0	0	121
232	E	41.4	Very low	33.5	Very low	152 Å²	152	141.7 Å²	141.7	71%	0.71	75%	0.746	S	S	*	*			cis	-162.9	170.8	-11	-110.8	-69.5	-151	0	0	109.6
233	E	41.5	Very low	33.1	Very low	143 Å²	143	141.5 Å²	141.5	67%	0.668	75%	0.745	S	S	*	*			trans	29.2	147	153.7	-81.1	-173	145.7	0	0	122	K235	E233-K235 IonicContact OE1-NZ 3.6Å
234	D	40.3	Very low	33.1	Very low	101 Å²	101	139.3 Å²	139.3	54%	0.54	74%	0.743	S	S	.	*			cis	-166.8	170	19.3	-142.3	-6.4	0	0	0	117
235	K	39.8	Very low	33.1	Very low	137 Å²	137	137.4 Å²	137.4	60%	0.596	74%	0.74	S	S	*	*			trans	13.9	151.8	144.2	-75.1	164.8	-152.2	83.7	0	121.8	E233	E233-K235 IonicContact OE1-NZ 3.6Å
236	Q	35.8	Very low	33.1	Very low	170 Å²	170	139 Å²	139	79%	0.794	74%	0.743	S	S	*	*			cis	-177.7	172.4	-18.3	-125	179	16.9	0	0	111
237	S	32.3	Very low	32.8	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	74%	0.738	S	S	*	*			trans	80.5	140.2	153.2	76.4	0	0	0	0	121.4
238	L	27.1	Very low	33	Very low	165 Å²	165	137.5 Å²	137.5	86%	0.864	73%	0.734	S	S	*	*			trans	-87.3	158.5	-177.5	-58.9	68.5	0	0	0	111.8
239	S	31.2	Very low	32.5	Very low	125 Å²	125	136.4 Å²	136.4	87%	0.874	73%	0.732	S	S	*	*				-176.6	167.1	111.7	39.3	0	0	0	0	113
240	T	26.4	Very low	32.2	Very low	120 Å²	120	139.9 Å²	139.9	74%	0.736	74%	0.744	S	S	*	*			trans	-95	168.4	-162.5	44.1	0	0	0	0	115
241	N	25.5	Very low	31.9	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	74%	0.741	S	S	*	*			trans	81.4	121.9	162.5	-48.8	-38.6	0	0	0	118.1
242	I	30.2	Very low	31.6	Very low	168 Å²	168	138.8 Å²	138.8	86%	0.862	74%	0.743	S	S	*	*			trans	-157.2	150.6	136.9	-104.1	153.5	0	0	0	108.5
243	T	24.6	Very low	31	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	74%	0.739	S	S	*	*			trans	-125	130.2	-172.1	-53.2	0	0	0	0	111.3
244	T	30.1	Very low	30.6	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	74%	0.743	S	S	*	*			trans	-168.1	133.9	158.2	29.8	0	0	0	0	107
245	S	26.7	Very low	30.2	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	75%	0.747	S	S	*	*			cis	76.2	140.4	24.7	-43.3	0	0	0	0	114.5
246	I	31.8	Very low	29.9	Very low	164 Å²	164	135.4 Å²	135.4	84%	0.841	75%	0.754	S	S	*	*			trans	93.8	147.1	-178.8	-56.4	158.2	0	0	0	114.1
247	H	27.7	Very low	29.6	Very low	154 Å²	154	133.8 Å²	133.8	71%	0.713	76%	0.756	S	S	*	*			cis	177.6	156.8	-40.7	-160.5	-67.8	0	0	0	106.7
248	L	31.9	Very low	29.7	Very low	133 Å²	133	133.5 Å²	133.5	70%	0.696	76%	0.755	S	S	*	*			trans	68.5	139.5	177.2	-67	108.1	0	0	0	114.6
249	E	26.4	Very low	30	Very low	164 Å²	164	133.5 Å²	133.5	77%	0.766	76%	0.755	S	S	*	*			cis	105.9	152.4	26.2	-172.4	169.1	-131.8	0	0	112.2
250	E	29.2	Very low	29.8	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	75%	0.75	S	S	*	*			trans	68.7	150.4	-171.7	-54.1	-165	137.9	0	0	116.5
251	A	30.1	Very low	30.2	Very low	69 Å²	69	138.1 Å²	138.1	57%	0.57	76%	0.761	S	S	*	*			cis	-168.4	161.3	-30	0	0	0	0	0	109.1
252	Q	32.8	Very low	30.4	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	76%	0.763	S	S	*	*			trans	66.8	151.4	160.6	-68.9	169	55.2	0	0	116.2
253	N	30.4	Very low	30.6	Very low	119 Å²	119	138.8 Å²	138.8	64%	0.636	76%	0.762	S	S	*	*			cis	-163.4	150.1	6.5	-116.9	-17	0	0	0	111.4
254	I	32.7	Very low	30.9	Very low	145 Å²	145	139.4 Å²	139.4	74%	0.744	76%	0.762	S	S	*	*			trans	34.5	126.8	146.3	-17.6	155.5	0	0	0	118.1
255	S	30.9	Very low	31	Very low	91 Å²	91	139.9 Å²	139.9	64%	0.636	76%	0.76	S	S	*	*				-179	152	64	-50.9	0	0	0	0	114.8
256	S	33.5	Very low	31.4	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	77%	0.771	S	S	*	*			trans	55.8	145.9	141.1	58.7	0	0	0	0	122
257	T	30.4	Very low	31.5	Very low	136 Å²	136	141 Å²	141	83%	0.834	77%	0.768	S	S	*	*			cis	-171.7	149.4	-9.2	23.2	0	0	0	0	109
258	S	34.3	Very low	31.8	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	77%	0.769	S	S	*	*			trans	148	84	150.4	-178.3	0	0	0	0	110.8
259	L	33.7	Very low	32	Very low	165 Å²	165	136.1 Å²	136.1	86%	0.864	77%	0.769	S	S	*	*				79.1	94.2	89.7	-77.5	169.4	0	0	0	115.1
260	D	26.2	Very low	32.5	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	77%	0.771	S	S	*	*			trans	-70.3	156	155.5	-78.6	-67.1	0	0	0	111.9
261	M	35.8	Very low	32.9	Very low	195 Å²	195	133 Å²	133	96%	0.961	76%	0.763	S	S	*	*			trans	-148.9	137.5	139.1	-86.6	-147.9	-78.9	0	0	112
262	K	28.1	Very low	33.2	Very low	187 Å²	187	134.3 Å²	134.3	81%	0.813	77%	0.767	S	S	*	*			trans	-119.5	130.3	172.1	-73.7	178.8	177.8	174.2	0	110.7
263	T	34.3	Very low	33.4	Very low	140 Å²	140	133.3 Å²	133.3	86%	0.859	77%	0.768	S	S	*	*			trans	-149.8	121.1	154	45.8	0	0	0	0	107.5
264	N	31.3	Very low	33.8	Very low	135 Å²	135	134.8 Å²	134.8	72%	0.722	77%	0.771	S	S	*	*			cis	80.9	109	48.7	-80.4	15.6	0	0	0	116
265	N	33.7	Very low	34.1	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	77%	0.772	S	S	*	*			trans	104.3	147.2	134.8	-60.3	-6.5	0	0	0	121.2
266	F	34.4	Very low	34.3	Very low	207 Å²	207	135.3 Å²	135.3	91%	0.908	78%	0.777	S	S	*	*			trans	68.6	130.7	168.3	-64.1	-76.5	0	0	0	118.7
267	G	33.6	Very low	34.2	Very low	74 Å²	74	136 Å²	136	76%	0.763	78%	0.781	S	S	*	*			cis	159.3	144.7	-13.5	0	0	0	0	0	115.2
268	G	34.2	Very low	34.4	Very low	73 Å²	73	134.3 Å²	134.3	75%	0.753	77%	0.774	S	S	*	*			trans	83	161.7	166	0	0	0	0	0	116.8
269	T	35.9	Very low	34.1	Very low	112 Å²	112	138.6 Å²	138.6	69%	0.687	77%	0.774	S	S	*	*			cis	-163.7	129.6	-11.9	-59.4	0	0	0	0	109
270	E	37.1	Very low	33.9	Very low	171 Å²	171	137 Å²	137	80%	0.799	78%	0.775	S	S	*	*			trans	57.7	159	157.2	-71.7	154.4	-146	0	0	118.9
271	T	37	Very low	34.1	Very low	116 Å²	116	136.2 Å²	136.2	71%	0.712	77%	0.767	S	S	*	*			cis	-155.7	160.6	-3.7	10.9	0	0	0	0	108.7
272	S	37.4	Very low	33.9	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	75%	0.754	S	S	*	*			trans	57.1	135.7	153.6	61.4	0	0	0	0	120.1
273	D	37.5	Very low	34	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	75%	0.753	S	S	*	*			cis	-170.5	-177.9	-11.4	-109.2	-53.5	0	0	0	106.3
274	E	37.8	Very low	34	Very low	149 Å²	149	130.9 Å²	130.9	70%	0.696	75%	0.748	S	S	*	*			cis	-148.6	-127.9	13.4	-154	-145.5	-128.1	0	0	111.5
275	M	38.2	Very low	34	Very low	158 Å²	158	131 Å²	131	78%	0.778	75%	0.749	S	S	*	*			trans	-86.1	161.8	179.8	-62.6	176.5	-148.5	0	0	112.1
276	A	36.3	Very low	33.7	Very low	90 Å²	90	130.7 Å²	130.7	74%	0.744	76%	0.756	S	S	*	*			cis	-166.6	-165.6	-17.8	0	0	0	0	0	106.6
277	C	31.8	Very low	33.2	Very low	120 Å²	120	128.8 Å²	128.8	81%	0.811	75%	0.754	S	S	*	*			cis	-156.9	177.4	10.7	-151.4	0	0	0	0	113.6
278	S	33.5	Very low	33	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	76%	0.756	S	S	*	*			trans	-84	170	174.4	57.8	0	0	0	0	113
279	R	28.3	Very low	32.6	Very low	198 Å²	198	134.5 Å²	134.5	75%	0.747	76%	0.758	S	S	*	*			cis	169.5	137.1	-10.9	163.4	-175.4	176.9	176	0	108.6	Q281	R279-Q281 HydrophobicContact CG-CG 4.23Å
280	C	30	Very low	32.2	Very low	131 Å²	131	135.9 Å²	135.9	89%	0.885	76%	0.759	S	S	*	*			trans	178.5	117.2	154.1	-94.7	0	0	0	0	105.8
281	Q	29	Very low	31.6	Very low	129 Å²	129	134.5 Å²	134.5	60%	0.603	76%	0.758	S	S	*	*			cis	79.6	76.7	30.1	-64.9	-152.1	-79.2	0	0	117.4	R279	R279-Q281 HydrophobicContact CG-CG 4.23Å
282	S	33	Very low	31.2	Very low	99 Å²	99	139 Å²	139	69%	0.692	76%	0.761	S	S	*	*			trans	-166.7	118.7	136.4	51.3	0	0	0	0	105.6
283	E	29.8	Very low	30.7	Very low	170 Å²	170	141.2 Å²	141.2	79%	0.794	76%	0.762	S	S	*	*				60.5	113.8	77.9	-65.2	165.1	-165.7	0	0	109.2
284	D	34.6	Very low	30.1	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	76%	0.762	S	S	*	*			cis	-138.5	161.9	45.5	-94.3	-55.5	0	0	0	117.8
285	N	30.6	Very low	29.7	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	77%	0.77	S	S	*	*			trans	11.3	132	147	-62	-64.7	0	0	0	119.5
286	C	27.5	Very low	29	Very low	123 Å²	123	143.3 Å²	143.3	83%	0.831	77%	0.774	S	S	*	*			cis	-159.2	155.2	37.4	-116.3	0	0	0	0	113.2
287	L	24.6	Very low	28.5	Very low	167 Å²	167	146.8 Å²	146.8	87%	0.874	78%	0.779	S	S	*	*			trans	-125	114.2	-179.2	-81	169.8	0	0	0	113.8
288	S	28.6	Very low	28.2	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	77%	0.771	S	S	*	*			trans	-177.6	114.3	156.3	53	0	0	0	0	107.7
289	L	25.4	Very low	27.8	Very low	152 Å²	152	148 Å²	148	80%	0.796	78%	0.779	S	S	*	*			cis	66.9	133.2	26.7	-127.9	178.2	0	0	0	113.4
290	I	28.1	Very low	27.7	Very low	141 Å²	141	144.9 Å²	144.9	72%	0.723	78%	0.777	S	S	*	*			trans	87	92.5	175.4	-47.6	179.9	0	0	0	116.3
291	N	24.8	Very low	27.4	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	77%	0.771	S	S	*	*			trans	15.7	130.3	130.4	-50.8	-33.8	0	0	0	119
292	R	27.5	Very low	27.4	Very low	209 Å²	209	146 Å²	146	79%	0.789	78%	0.782	S	S	*	*				-179.3	143.5	102.9	-99.4	166.4	172.2	-120.8	8.4	115.1
293	Q	28.3	Very low	27.1	Very low	144 Å²	144	150 Å²	150	67%	0.673	79%	0.79	S	S	*	*			trans	59.2	106.5	140.3	-64.4	170.5	-90.4	0	0	120.6
294	N	24.7	Very low	27	Very low	154 Å²	154	149.7 Å²	149.7	82%	0.824	79%	0.794	S	S	*	*				10.2	122.1	129.2	-50.2	4	0	0	0	118.8
295	E	28.8	Very low	26.6	Very low	185 Å²	185	150.9 Å²	150.9	86%	0.864	80%	0.801	S	S	*	*				-170.8	97.9	128.5	-104.5	160.3	-154.4	0	0	106.8
296	L	24.4	Very low	26.6	Very low	162 Å²	162	148.8 Å²	148.8	85%	0.848	80%	0.802	S	S	*	*				51	76.8	88.6	-160.9	90.4	0	0	0	113.6
297	L	25.9	Very low	26.5	Very low	164 Å²	164	151.7 Å²	151.7	86%	0.859	80%	0.803	S	S	*	*			trans	-114.4	102	165.5	-87.2	168.5	0	0	0	111.1	V299	L297-V299 PolarHBondContact O-N 2.92Å
298	T	24.1	Very low	26.6	Very low	105 Å²	105	152 Å²	152	64%	0.644	80%	0.798	S	S	*	*			trans	-67.4	110.2	162.3	43	0	0	0	0	109.6	N300	T298-N300 PolarHBondContact O-N 3.34Å
299	V	26.8	Very low	26.3	Very low	141 Å²	141	152.1 Å²	152.1	86%	0.855	80%	0.799	S	S	*	*			trans	-80.7	98.1	162.1	-179.4	0	0	0	0	107.2	L297	L297-V299 PolarHBondContact O-N 2.92Å
300	N	26	Very low	26.4	Very low	132 Å²	132	151.6 Å²	151.6	71%	0.706	80%	0.796	S	S	*	*			trans	-67.1	142.8	172.8	-76.7	-13.3	0	0	0	110.1	T298	T298-N300 PolarHBondContact O-N 3.34Å
301	T	23.9	Very low	26.1	Very low	125 Å²	125	150.3 Å²	150.3	77%	0.767	80%	0.8	S	S	*	*			trans	-59.4	135.9	163.2	47.7	0	0	0	0	110.4
302	N	27.6	Very low	26.3	Very low	157 Å²	157	147.6 Å²	147.6	84%	0.84	80%	0.797	S	S	*	*			trans	-128.7	123.7	144.7	-96	-8.9	0	0	0	107.2
303	E	26.2	Very low	26.1	Very low	183 Å²	183	145.7 Å²	145.7	86%	0.855	80%	0.797	S	S	*	*			trans	-73.5	151.5	169	-61.9	170.5	133.7	0	0	108.9
304	N	29.4	Very low	26.1	Very low	164 Å²	164	148.8 Å²	148.8	88%	0.877	80%	0.804	S	S	*	*			trans	-155.2	134.4	158.6	-104.8	-31.9	0	0	0	108.8
305	D	25.9	Very low	26.3	Very low	167 Å²	167	149.8 Å²	149.8	89%	0.893	80%	0.804	S	S	*	*			trans	-72.4	137.4	-168.5	-66.8	-76	0	0	0	113.8
306	A	30.9	Very low	26	Very low	92 Å²	92	148.6 Å²	148.6	76%	0.76	80%	0.803	S	S	*	*			trans	-143.1	107.7	157.1	0	0	0	0	0	109.6	F308	A306-F308 PolarHBondContact O-N 2.83Å
307	Q	25	Very low	26.4	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	80%	0.795	S	S	*	*			trans	-64.8	120.8	176.1	-63.1	168.4	-1.7	0	0	110.2
308	F	26.9	Very low	26.6	Very low	174 Å²	174	143.5 Å²	143.5	76%	0.763	79%	0.788	S	S	*	*			trans	-136.8	91.9	162.1	-104.8	-76.1	0	0	0	112.5	A306 L310	A306-F308 PolarHBondContact O-N 2.83Å; F308-L310 HydrophobicContact CD1-CD1 4.35Å; F308-L310 HydrophobicContact CD1-CG 4.19Å; F308-L310 PolarHBondContact O-N 2.64Å
309	S	22.2	Very low	26.6	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	79%	0.79	S	S	*	*			trans	-67.2	106.8	162.8	-56.1	0	0	0	0	109.4
310	L	26.8	Very low	26.5	Very low	140 Å²	140	143.6 Å²	143.6	73%	0.733	79%	0.785	S	S	*	*			trans	-125.2	86.5	169.4	-75.3	177.5	0	0	0	111.2	F308 A312	F308-L310 HydrophobicContact CD1-CD1 4.35Å; F308-L310 HydrophobicContact CD1-CG 4.19Å; F308-L310 PolarHBondContact O-N 2.64Å; L310-A312 PolarHBondContact O-N 3.29Å
311	S	22.3	Very low	26.6	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	79%	0.791	S	S	*	*			trans	-56.9	125.6	147.6	48.5	0	0	0	0	109.3
312	A	28.1	Very low	26.7	Very low	85 Å²	85	145.6 Å²	145.6	70%	0.702	78%	0.784	S	S	*	*			trans	-130.9	81.4	177.3	0	0	0	0	0	110.5	L310	L310-A312 PolarHBondContact O-N 3.29Å
313	E	23.7	Very low	26.7	Very low	170 Å²	170	146 Å²	146	79%	0.794	79%	0.785	S	S	*	*			trans	-71.8	120	162.2	-59.3	170.7	103.5	0	0	109.3
314	Y	28.5	Very low	26.6	Very low	209 Å²	209	143.9 Å²	143.9	82%	0.82	78%	0.775	S	S	*	*			trans	-146.5	108.2	155.2	-74.4	-70.4	0	0	0	107.1
315	Q	28.4	Very low	26.7	Very low	175 Å²	175	143 Å²	143	82%	0.818	77%	0.769	S	S	*	*				58.4	86.2	69.9	-62.4	-160.4	-2	0	0	113.4
316	N	22.8	Very low	26.6	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	77%	0.767	S	S	*	*			trans	-62.6	165.3	148.8	-103.3	-17.2	0	0	0	110.6
317	P	33.9	Very low	26.6	Very low	103 Å²	103	146.3 Å²	146.3	67%	0.669	77%	0.767	S	S	*	*			cis	-139	-143.3	-21.6	39.9	-20.7	0	0	0	111.4
318	T	28.4	Very low	26.6	Very low	117 Å²	117	142.7 Å²	142.7	72%	0.718	76%	0.76	S	S	*	*			trans	90.7	115.1	154.4	13.7	0	0	0	0	121.2
319	C	24.3	Very low	26.9	Very low	103 Å²	103	142.6 Å²	142.6	70%	0.696	77%	0.766	S	S	*	*			trans	86.5	117	130.2	81.8	0	0	0	0	122.4
320	I	25.6	Very low	27.3	Very low	145 Å²	145	145 Å²	145	74%	0.744	76%	0.764	S	S	*	*			trans	65.7	101.6	132.4	-57.1	166.1	0	0	0	117.2
321	N	28.2	Very low	27.5	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	76%	0.763	S	S	*	*				-161.7	159.3	92.4	-117.3	-42.9	0	0	0	114.4
322	K	25.3	Very low	28.1	Very low	141 Å²	141	145.8 Å²	145.8	61%	0.613	76%	0.759	S	S	*	*			trans	-98.9	128.4	178	-174.3	-160.3	-170.7	-144	0	109.8	E324	K322-E324 WeakPolarHBondContact CE-OE1 3.16Å; K322-E324 VanDerWaalsContact CE-OE2 3.28Å; K322-E324 WeakPolarHBondContact CE-OE2 3.37Å; K322-E324 IonicContact NZ-OE1 3.11Å; K322-E324 PolarHBondContact NZ-OE1 3.07Å; K322-E324 IonicContact NZ-OE2 2.81Å; K322-E324 PolarHBondContact NZ-OE2 2.7Å
323	L	28.3	Very low	28.2	Very low	165 Å²	165	147 Å²	147	86%	0.864	76%	0.758	S	S	*	*			trans	-139	119.3	160.2	-91.5	173.5	0	0	0	109.6
324	E	24.1	Very low	28.6	Very low	139 Å²	139	145.4 Å²	145.4	65%	0.65	76%	0.755	S	S	*	*			trans	-82	139.1	168.4	-72.8	138.5	147.5	0	0	109.5	K322	K322-E324 WeakPolarHBondContact CE-OE1 3.16Å; K322-E324 VanDerWaalsContact CE-OE2 3.28Å; K322-E324 WeakPolarHBondContact CE-OE2 3.37Å; K322-E324 IonicContact NZ-OE1 3.11Å; K322-E324 PolarHBondContact NZ-OE1 3.07Å; K322-E324 IonicContact NZ-OE2 2.81Å; K322-E324 PolarHBondContact NZ-OE2 2.7Å
325	I	30.8	Very low	28.7	Very low	145 Å²	145	140 Å²	140	74%	0.744	75%	0.747	S	S	*	*			trans	-132.2	98.1	166.5	-59.4	-178.7	0	0	0	107	I327	I325-I327 HydrophobicContact CG2-CD1 4.45Å; I325-I327 HydrophobicContact CG2-CG1 4.15Å
326	E	24.1	Very low	29.1	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	74%	0.739	S	S	*	*			trans	-78.4	138.7	164.9	-63.5	-177.3	139.7	0	0	109.3
327	I	31.5	Very low	29.6	Very low	145 Å²	145	137.6 Å²	137.6	74%	0.744	74%	0.738	S	S	*	*			trans	-132.6	109.8	163.1	-58.6	-178.9	0	0	0	106.9	I325	I325-I327 HydrophobicContact CG2-CD1 4.45Å; I325-I327 HydrophobicContact CG2-CG1 4.15Å
328	P	25.6	Very low	29.8	Very low	110 Å²	110	137.2 Å²	137.2	71%	0.714	74%	0.738	S	S	*	*			trans	-84.5	156.5	178.4	34.5	-34.6	0	0	0	111.4
329	L	33	Very low	30.1	Very low	171 Å²	171	138.7 Å²	138.7	90%	0.895	74%	0.742	S	S	*	*			trans	-131.8	135.8	154.1	-108.4	99.8	0	0	0	110.3
330	E	28.9	Very low	30.7	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	75%	0.75	S	S	*	*			trans	-89.4	158.8	-178.6	-57.1	165	122	0	0	110.9
331	N	31.9	Very low	31.1	Very low	130 Å²	130	137.6 Å²	137.6	70%	0.695	75%	0.745	S	S	*	*				166.6	116.4	123.3	-82.9	-37.3	0	0	0	110.9
332	I	34	Very low	31.4	Very low	141 Å²	141	138.8 Å²	138.8	72%	0.723	75%	0.745	S	S	*	*				73.2	127.7	92.7	-69	178	0	0	0	113
333	T	30.3	Very low	31.8	Very low	111 Å²	111	136.5 Å²	136.5	68%	0.681	75%	0.747	S	S	*	*			cis	-161.1	168.4	-22.5	38.1	0	0	0	0	108.4
334	N	32.1	Very low	31.8	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	74%	0.744	S	S	*	*			trans	142.8	109.4	137.5	-68.5	-4.8	0	0	0	108.7
335	S	31.9	Very low	32.2	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	75%	0.75	S	S	*	*				62.2	127.6	64.7	80.8	0	0	0	0	112.3
336	T	35.6	Very low	32.2	Very low	106 Å²	106	136.2 Å²	136.2	65%	0.65	75%	0.746	S	S	*	*			cis	-163	162	12.3	-9.6	0	0	0	0	109.9
337	E	34.5	Very low	32.9	Very low	177 Å²	177	133.5 Å²	133.5	83%	0.827	74%	0.742	S	S	*	*			trans	45.3	147.1	144.7	-72.5	151.7	-151.1	0	0	121.2
338	S	36.7	Very low	33.1	Very low	96 Å²	96	132 Å²	132	67%	0.671	74%	0.735	S	S	*	*			cis	-167.7	146.5	-5.1	50.7	0	0	0	0	109.8
339	D	35.8	Very low	33.4	Very low	148 Å²	148	131.2 Å²	131.2	79%	0.791	73%	0.732	S	S	*	*			trans	42.7	151.2	146.8	-58.4	-17.3	0	0	0	124.5
340	D	36.7	Very low	33.5	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	73%	0.732	S	S	*	*			trans	61.8	117.7	155.4	-69.5	-12.7	0	0	0	122.4
341	G	33.5	Very low	33.7	Very low	62 Å²	62	133.9 Å²	133.9	64%	0.639	73%	0.734	S	S	*	*				121.5	98.1	109.2	0	0	0	0	0	119.1
342	H	35.3	Very low	33.9	Very low	182 Å²	182	133 Å²	133	84%	0.843	74%	0.736	S	S	*	*			trans	61.2	103.6	140.2	-66.6	-72	0	0	0	121.9
343	S	33.8	Very low	34	Very low	93 Å²	93	132 Å²	132	65%	0.65	74%	0.736	S	S	*	*				78.3	113.8	113.2	-59.5	0	0	0	0	122.2
344	L	28.8	Very low	34.3	Very low	151 Å²	151	132.6 Å²	132.6	79%	0.791	74%	0.735	S	S	*	*				84.6	136.2	126.9	-76.6	168.9	0	0	0	121.9
345	L	32.1	Very low	34.4	Very low	150 Å²	150	132.5 Å²	132.5	79%	0.785	73%	0.734	S	S	*	*			trans	72.9	147.3	157	-62.8	164.6	0	0	0	116.6
346	H	31	Very low	34.5	Very low	142 Å²	142	133.7 Å²	133.7	66%	0.657	73%	0.732	S	S	*	*			cis	-167.4	-173.2	-13.5	-173.6	-79.4	0	0	0	107.1	D348	H346-D348 IonicContact CE1-OD2 2.66Å; H346-D348 PolarHBondContact CE1-OD2 3.12Å; H346-D348 VanDerWaalsContact CE1-OD2 3.26Å; H346-D348 IonicContact ND1-OD2 3.26Å; H346-D348 PolarHBondContact ND1-OD2 3.34Å
347	V	37	Very low	34.4	Very low	127 Å²	127	134.3 Å²	134.3	77%	0.77	74%	0.736	S	S	*	*			trans	82.9	139.6	158.9	-174.6	0	0	0	0	116.6
348	D	35.8	Very low	34.3	Very low	112 Å²	112	132.5 Å²	132.5	60%	0.599	73%	0.731	S	S	*	*			cis	-174.5	148.9	-39.4	-112.4	-60.7	0	0	0	110.4	H346	H346-D348 IonicContact CE1-OD2 2.66Å; H346-D348 PolarHBondContact CE1-OD2 3.12Å; H346-D348 VanDerWaalsContact CE1-OD2 3.26Å; H346-D348 IonicContact ND1-OD2 3.26Å; H346-D348 PolarHBondContact ND1-OD2 3.34Å
349	S	32.8	Very low	34	Very low	94 Å²	94	137.4 Å²	137.4	66%	0.657	74%	0.741	S	S	*	*			trans	63.6	160.1	159.4	-65.1	0	0	0	0	117.9
350	F	34.6	Very low	34	Very low	205 Å²	205	135 Å²	135	90%	0.899	73%	0.733	S	S	*	*			cis	-133.3	167.5	25.8	-87.3	-94.7	0	0	0	116.1
351	K	32.8	Very low	33.8	Very low	189 Å²	189	134.4 Å²	134.4	82%	0.822	73%	0.728	S	S	*	*			trans	-103.1	165.6	-178.8	-115.3	171.5	-172.7	172.7	0	110.1
352	P	37.2	Very low	33.8	Very low	111 Å²	111	137 Å²	137	72%	0.721	73%	0.732	S	S	*	*				-153.7	145.7	76.6	43.2	-23.3	0	0	0	117.5
353	V	36.4	Very low	33.6	Very low	120 Å²	120	139.1 Å²	139.1	73%	0.727	73%	0.733	S	S	*	*				74.5	118.2	112.7	173.8	0	0	0	0	114.8
354	N	36.5	Very low	33.3	Very low	124 Å²	124	139.3 Å²	139.3	66%	0.663	73%	0.734	S	S	*	*			cis	-149.2	-155.5	7.2	-130.3	34.8	0	0	0	111.3
355	N	34.7	Very low	33.5	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	74%	0.739	S	S	*	*			cis	-150.6	-164.9	19.6	-153.4	29.5	0	0	0	115.1
356	I	33.7	Very low	33.3	Very low	120 Å²	120	139.4 Å²	139.4	62%	0.615	74%	0.74	S	S	*	*			trans	-97.1	149.7	-171.9	-44.4	155.8	0	0	0	108
357	V	33.3	Very low	33.5	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	75%	0.75	S	S	*	*				-159.6	128.8	59.4	179.5	0	0	0	0	114.1
358	N	32.8	Very low	33.1	Very low	138 Å²	138	142.5 Å²	142.5	74%	0.738	76%	0.757	S	S	*	*			trans	32.1	119.4	148.2	-46	-11.4	0	0	0	121.1
359	K	30.3	Very low	33.1	Very low	200 Å²	200	142 Å²	142	87%	0.87	76%	0.762	S	S	*	*			cis	53.7	155.7	45.7	-108.9	-175.6	-176	174.8	0	115.4
360	P	34.7	Very low	33	Very low	96 Å²	96	145.7 Å²	145.7	62%	0.623	78%	0.775	S	S	*	*			cis	-148.9	176.1	-3.8	43.4	-23.9	0	0	0	119.4
361	I	31.8	Very low	33.2	Very low	151 Å²	151	142.6 Å²	142.6	77%	0.774	77%	0.766	S	S	*	*			trans	67.8	134.4	140.6	-75.7	163.1	0	0	0	119
362	T	33.4	Very low	33.5	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	77%	0.767	S	S	*	*				-166	140.7	60.7	-26.7	0	0	0	0	116.3
363	R	31.4	Very low	33.7	Very low	225 Å²	225	143.6 Å²	143.6	85%	0.849	76%	0.764	S	S	*	*			trans	35.8	108.2	142.5	-77.4	176.9	165.8	-175.7	-6	124.1
364	S	28.6	Very low	34.3	Very low	98 Å²	98	143.3 Å²	143.3	69%	0.685	76%	0.758	S	S	*	*				43.7	128.5	115.6	67.9	0	0	0	0	123.2
365	L	32.9	Very low	34.8	Very low	171 Å²	171	144.4 Å²	144.4	90%	0.895	76%	0.757	S	S	*	*				-165.5	171	108.7	-105	166.5	0	0	0	112.2
366	T	28	Very low	35.5	Very low	132 Å²	132	142.5 Å²	142.5	81%	0.81	76%	0.755	S	S	*	*			trans	-107.5	141.2	-162.7	55.8	0	0	0	0	115.5
367	S	34.2	Very low	36.4	Very low	124 Å²	124	139.2 Å²	139.2	87%	0.867	74%	0.74	S	S	*	*			trans	-143.9	166	150	69.7	0	0	0	0	110.1
368	K	30.1	Very low	37.3	Very low	209 Å²	209	136.6 Å²	136.6	91%	0.909	73%	0.727	S	S	*	*			trans	-114.8	132.3	-171.7	-64.7	177.4	179.9	177.4	0	111.8
369	S	35.9	Very low	38.3	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	72%	0.721	S	S	*	*			trans	-144.6	137	155.8	55.6	0	0	0	0	109.6	I371	S369-I371 PolarHBondContact O-N 2.81Å
370	N	29.8	Very low	39.1	Very low	172 Å²	172	128.7 Å²	128.7	92%	0.92	69%	0.693	S	S	*	*			trans	-91.1	98	-178.7	-75.1	-17.5	0	0	0	109.8
371	I	38.6	Very low	39.7	Very low	139 Å²	139	129.7 Å²	129.7	71%	0.713	69%	0.693	S	S	*	*			trans	-100.9	119.2	166.8	-61.4	179.7	0	0	0	108.3	S369 I373	S369-I371 PolarHBondContact O-N 2.81Å; I371-I373 HydrophobicContact CG2-CG1 4.38Å; I371-I373 PolarHBondContact O-N 3.05Å
372	K	39.9	Very low	40.2	Very low	194 Å²	194	131.1 Å²	131.1	84%	0.843	70%	0.696	S	S	*	*			trans	-83.1	79.3	-176	-167.3	-175.4	-178.3	-169	0	109.4	N374	K372-N374 PolarHBondContact O-N 3.16Å
373	I	40.8	Very low	40.6	Very low	128 Å²	128	131.7 Å²	131.7	66%	0.656	70%	0.699	S	S	*	*			trans	-62.6	118.8	178.9	-57.8	174.9	0	0	0	109.2	I371 K375	I371-I373 HydrophobicContact CG2-CG1 4.38Å; I371-I373 PolarHBondContact O-N 3.05Å; I373-K375 PolarHBondContact O-N 3.1Å
374	N	48	Very low	40.9	Very low	113 Å²	113	125.1 Å²	125.1	60%	0.604	70%	0.702	S	S	*	*			trans	-70.7	125.5	172.5	-69.4	-22.5	0	0	0	109	K372	K372-N374 PolarHBondContact O-N 3.16Å
375	K	47.7	Very low	41.4	Very low	147 Å²	147	129.7 Å²	129.7	64%	0.639	71%	0.709	S	S	*	*			trans	-92.8	106.9	174.9	-63.3	-173.4	178.7	-170.7	0	109.4	I373	I373-K375 PolarHBondContact O-N 3.1Å
376	S	49.1	Very low	41.4	Very low	96 Å²	96	126.3 Å²	126.3	67%	0.671	70%	0.7	S	S	*	*			trans	-73.2	157.1	152.6	49.3	0	0	0	0	109.2
377	V	53.1	Low	41.9	Very low	50 Å²	50	127.7 Å²	127.7	30%	0.303	70%	0.701	S	S	.	*			trans	-138.5	121.1	174	-167	0	0	0	0	109.6	F379 W537	V377-F379 HydrophobicContact CB-CD2 4.06Å; V377-F379 HydrophobicContact CB-CE2 3.57Å; V377-F379 HydrophobicContact CB-CZ 3.89Å; V377-F379 HydrophobicContact CG1-CD1 3.99Å; V377-F379 HydrophobicContact CG1-CD2 3.85Å; V377-F379 HydrophobicContact CG1-CE1 3.65Å; V377-F379 HydrophobicContact CG1-CE2 3.49Å; V377-F379 VanDerWaalsContact CG1-CE2 3.49Å; V377-F379 HydrophobicContact CG1-CG 4.1Å; V377-F379 HydrophobicContact CG1-CZ 3.4Å; V377-F379 HydrophobicContact CG2-CE2 4.42Å; V377-F379 HydrophobicContact CG2-CZ 4.46Å; V377-W537 HydrophobicContact CG2-CB 4.45Å
378	S	51.8	Low	42	Very low	65 Å²	65	127.9 Å²	127.9	46%	0.455	70%	0.697	S	S	.	*			trans	-98.7	94.5	179.5	54.3	0	0	0	0	110.2	A380	S378-A380 PolarHBondContact O-N 2.75Å
379	F	54.7	Low	42.2	Very low	139 Å²	139	124.2 Å²	124.2	61%	0.61	68%	0.684	S	S	*	*			trans	-85.6	8.1	-169.3	-74.3	-74.8	0	0	0	116.3	V377 W537	V377-F379 HydrophobicContact CB-CD2 4.06Å; V377-F379 HydrophobicContact CB-CE2 3.57Å; V377-F379 HydrophobicContact CB-CZ 3.89Å; V377-F379 HydrophobicContact CG1-CD1 3.99Å; V377-F379 HydrophobicContact CG1-CD2 3.85Å; V377-F379 HydrophobicContact CG1-CE1 3.65Å; V377-F379 HydrophobicContact CG1-CE2 3.49Å; V377-F379 VanDerWaalsContact CG1-CE2 3.49Å; V377-F379 HydrophobicContact CG1-CG 4.1Å; V377-F379 HydrophobicContact CG1-CZ 3.4Å; V377-F379 HydrophobicContact CG2-CE2 4.42Å; V377-F379 HydrophobicContact CG2-CZ 4.46Å; F379-W537 HydrophobicContact CD2-CD2 4.32Å; F379-W537 AromaticContact CD2-CE3 3.99Å; F379-W537 HydrophobicContact CD2-CE3 3.99Å; F379-W537 HydrophobicContact CD2-CZ3 4.35Å; F379-W537 HydrophobicContact CE2-CB 3.97Å; F379-W537 AromaticContact CE2-CD2 3.84Å; F379-W537 HydrophobicContact CE2-CD2 3.84Å; F379-W537 AromaticContact CE2-CE3 3.63Å; F379-W537 HydrophobicContact CE2-CE3 3.63Å; F379-W537 AromaticContact CE2-CG 3.98Å; F379-W537 HydrophobicContact CE2-CG 3.98Å; F379-W537 HydrophobicContact CE2-CZ3 4.41Å; F379-W537 HydrophobicContact CZ-CB 4.46Å
380	A	47.7	Very low	42.3	Very low	34 Å²	34	126.2 Å²	126.2	28%	0.281	69%	0.685	S	S	.	*			trans	-106.8	-0.3	-156.2	0	0	0	0	0	117.4	S378 W607 N609	S378-A380 PolarHBondContact O-N 2.75Å; A380-W607 HydrophobicContact CB-CB 4.15Å; A380-N609 WeakPolarHBondContact CB-ND2 3.38Å
381	D	45.9	Very low	42.6	Very low	116 Å²	116	125.8 Å²	125.8	62%	0.62	68%	0.675	S	S	*	*	S	Bend	trans	-103.6	120.7	-177.6	-61	-34.3	0	0	0	112.4	H612	D381-H612 IonicContact OD1-CE1 3.79Å; D381-H612 IonicContact OD1-NE2 2.75Å; D381-H612 PolarHBondContact OD1-NE2 3.4Å; D381-H612 IonicContact OD2-CD2 3.61Å; D381-H612 IonicContact OD2-CE1 3.28Å; D381-H612 IonicContact OD2-NE2 2.76Å; D381-H612 PolarHBondContact OD2-NE2 3.46Å
382	E	42.4	Very low	42.4	Very low	182 Å²	182	125 Å²	125	85%	0.85	68%	0.677	S	S	*	*	S	Bend	trans	45.6	105.8	167.4	-63	-161.1	131.5	0	0	121.6
383	V	42.6	Very low	42.3	Very low	129 Å²	129	123.5 Å²	123.5	78%	0.782	68%	0.677	S	S	*	*	S	Bend	trans	48.3	87.9	133	-163.6	0	0	0	0	118.1	K385	V383-K385 PolarHBondContact O-N 2.63Å; V383-K385 VanDerWaalsContact O-N 3.09Å
384	G	36.6	Very low	42	Very low	88 Å²	88	122.2 Å²	122.2	91%	0.907	68%	0.679	S	S	*	*	S	Bend	trans	70	20.4	132	0	0	0	0	0	118.6
385	K	38.9	Very low	41.6	Very low	193 Å²	193	124 Å²	124	84%	0.839	69%	0.688	S	S	*	*			trans	-113.5	135.3	172.7	-71	175.8	-177	166.6	0	111.6	V383 L387	V383-K385 PolarHBondContact O-N 2.63Å; V383-K385 VanDerWaalsContact O-N 3.09Å; K385-L387 PolarHBondContact O-N 2.64Å
386	S	34.3	Very low	41.1	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	70%	0.697	S	S	*	*			trans	-68.9	124.1	172.5	51.6	0	0	0	0	110.7	T388	S386-T388 PolarHBondContact O-N 2.99Å; S386-T388 VanDerWaalsContact O-N 3.14Å
387	L	37.3	Very low	40.5	Very low	160 Å²	160	127.1 Å²	127.1	84%	0.838	70%	0.704	S	S	*	*			trans	-66.1	107.1	173.2	-77.6	165.3	0	0	0	110.6	K385	K385-L387 PolarHBondContact O-N 2.64Å
388	T	37.5	Very low	39.6	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	73%	0.732	S	S	*	*			trans	-94.5	-16.8	-178.9	48.6	0	0	0	0	114.6	S386	S386-T388 PolarHBondContact O-N 2.99Å; S386-T388 VanDerWaalsContact O-N 3.14Å
389	E	34.2	Very low	38.9	Very low	133 Å²	133	138 Å²	138	62%	0.621	75%	0.749	S	S	*	*			trans	-137.8	145.3	-179.2	-62.8	-170	144.3	0	0	111.2	F391	E389-F391 HydrophobicContact CB-CE2 3.83Å; E389-F391 HydrophobicContact CB-CZ 4.24Å; E389-F391 WeakPolarHBondContact OE2-CZ 3.37Å
390	I	38.1	Very low	37.9	Very low	144 Å²	144	141.7 Å²	141.7	74%	0.738	76%	0.76	S	S	*	*			trans	-127.2	117.7	175.4	-60.2	175.8	0	0	0	107.9
391	F	35.3	Very low	37	Very low	162 Å²	162	147.4 Å²	147.4	71%	0.711	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-102.6	129.2	174.5	-62.7	-82.4	0	0	0	110.2	E389	E389-F391 HydrophobicContact CB-CE2 3.83Å; E389-F391 HydrophobicContact CB-CZ 4.24Å; E389-F391 WeakPolarHBondContact OE2-CZ 3.37Å
392	T	35	Very low	36.4	Very low	123 Å²	123	144.9 Å²	144.9	76%	0.755	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-96.3	117.1	170.8	50.3	0	0	0	0	109.6
393	L	37	Very low	35.8	Very low	162 Å²	162	145.7 Å²	145.7	85%	0.848	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-91.3	141.2	168.8	-62.9	174.1	0	0	0	109.8
394	C	34.3	Very low	35.2	Very low	102 Å²	102	143.9 Å²	143.9	69%	0.689	78%	0.782	S	S	*	*			trans	-128.2	128	167.5	-65.8	0	0	0	0	107.1	D396	C394-D396 PolarHBondContact O-N 2.6Å
395	D	40.2	Very low	34.8	Very low	149 Å²	149	147.9 Å²	147.9	80%	0.797	78%	0.776	S	S	*	*			trans	-88.2	100.7	179.1	-71.6	-32.4	0	0	0	110.8	N397	D395-N397 PolarHBondContact O-N 3.1Å
396	D	36.4	Very low	34.6	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	78%	0.777	S	S	*	*			trans	-71.7	113.5	170.6	-71.4	-36.5	0	0	0	110.3	C394	C394-D396 PolarHBondContact O-N 2.6Å
397	N	36.8	Very low	34.4	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	78%	0.777	S	S	*	*			trans	-135.4	55.4	176.3	-92.1	-61.8	0	0	0	112.6	D395	D395-N397 PolarHBondContact O-N 3.1Å
398	E	35.2	Very low	33.9	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.883	77%	0.774	S	S	*	*			trans	-106.7	108.3	160.9	-78.4	-160.7	157.2	0	0	110.8
399	L	36.4	Very low	33.6	Very low	154 Å²	154	150.1 Å²	150.1	81%	0.806	78%	0.776	S	S	*	*			trans	-167.3	89.2	159.1	-115.3	169	0	0	0	112.9
400	Y	33.5	Very low	33.3	Very low	217 Å²	217	152.7 Å²	152.7	85%	0.851	79%	0.786	S	S	*	*				-168.6	144.2	110.6	-134.8	-102.8	0	0	0	113.2
401	N	30.2	Very low	33	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	79%	0.785	S	S	*	*			trans	-89.1	149.3	176.9	-76.8	-67.4	0	0	0	112
402	G	31.7	Very low	32.6	Very low	62 Å²	62	150.8 Å²	150.8	64%	0.639	79%	0.785	S	S	*	*			trans	-173.4	85.9	173.6	0	0	0	0	0	115.9
403	F	30.8	Very low	32.4	Very low	199 Å²	199	155.5 Å²	155.5	87%	0.873	80%	0.795	S	S	*	*			trans	43.7	95.3	152	-58.5	-78.4	0	0	0	118
404	S	30	Very low	31.8	Very low	92 Å²	92	154.5 Å²	154.5	64%	0.643	79%	0.79	S	S	*	*				76.9	116.8	77.5	71.9	0	0	0	0	115.2
405	E	28.6	Very low	31.4	Very low	171 Å²	171	159.3 Å²	159.3	80%	0.799	80%	0.8	S	S	*	*			trans	52.2	118.2	148.6	-56.5	-178.4	158.3	0	0	119.2
406	Y	33	Very low	30.7	Very low	215 Å²	215	155.7 Å²	155.7	84%	0.843	80%	0.798	S	S	*	*				-161.5	161.4	95.5	-114.2	-85.3	0	0	0	111.3
407	N	30	Very low	30.3	Very low	133 Å²	133	153.5 Å²	153.5	71%	0.711	80%	0.795	S	S	*	*			trans	-83.3	160.9	-168.2	-71.2	-75.5	0	0	0	114.7
408	N	27.5	Very low	30.1	Very low	144 Å²	144	154.2 Å²	154.2	77%	0.77	80%	0.797	S	S	*	*			trans	7.4	135	145.9	-51.6	-23	0	0	0	118.1
409	T	32.4	Very low	29.8	Very low	137 Å²	137	153.2 Å²	153.2	84%	0.84	79%	0.79	S	S	*	*				-158.3	157.9	107.1	-60.3	0	0	0	0	108.8
410	F	26.9	Very low	29.7	Very low	187 Å²	187	153.5 Å²	153.5	82%	0.82	79%	0.792	S	S	*	*			trans	-53	156.5	161.3	-79.2	-130.7	0	0	0	109.4
411	D	31.5	Very low	29.5	Very low	137 Å²	137	150.6 Å²	150.6	73%	0.733	79%	0.786	S	S	*	*				-172.3	176.5	65.5	-131.5	-47	0	0	0	113.6
412	N	26.6	Very low	29.5	Very low	130 Å²	130	147.9 Å²	147.9	70%	0.695	78%	0.775	S	S	*	*			trans	-63.5	144.8	174.6	-59.9	-92.4	0	0	0	112.3
413	F	30.5	Very low	29.6	Very low	221 Å²	221	152.6 Å²	152.6	97%	0.969	78%	0.78	S	S	*	*				-156.9	157.4	129.8	-96.7	-60.3	0	0	0	111.8
414	N	25.3	Very low	29.6	Very low	141 Å²	141	149.4 Å²	149.4	75%	0.754	77%	0.772	S	S	*	*			trans	-126	169	-165.5	-146.1	-26.5	0	0	0	110.8
415	F	25.6	Very low	29.5	Very low	203 Å²	203	154.6 Å²	154.6	89%	0.89	78%	0.783	S	S	*	*			trans	69.5	151.7	-179.5	-64.2	-87	0	0	0	118.1
416	G	25.8	Very low	29.5	Very low	74 Å²	74	158.4 Å²	158.4	76%	0.763	79%	0.79	S	S	*	*			trans	156	25.2	168.1	0	0	0	0	0	119.6	I418	G416-I418 PolarHBondContact O-N 2.95Å
417	S	27.4	Very low	29.3	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	77%	0.774	S	S	*	*			trans	-46.4	117.6	-177.4	154.3	0	0	0	0	115.6
418	I	32.8	Very low	29.1	Very low	168 Å²	168	155.1 Å²	155.1	86%	0.862	78%	0.783	S	S	*	*			trans	-125.1	147	148.4	-78.9	172.4	0	0	0	108.3	G416	G416-I418 PolarHBondContact O-N 2.95Å
419	K	28.4	Very low	29.2	Very low	168 Å²	168	155.8 Å²	155.8	73%	0.73	78%	0.78	S	S	*	*			trans	-101.6	151.1	-173.4	-56.6	168.5	-175.8	170.6	0	110.3
420	D	34	Very low	28.9	Very low	160 Å²	160	156.3 Å²	156.3	86%	0.856	77%	0.773	S	S	*	*			trans	-148	162.6	142.2	-115.6	-39.3	0	0	0	112.9
421	H	29.6	Very low	29	Very low	156 Å²	156	152.4 Å²	152.4	72%	0.722	76%	0.759	S	S	*	*			trans	-96.9	162	-171.2	-71.8	-82	0	0	0	111.2
422	T	31	Very low	28.8	Very low	98 Å²	98	153.5 Å²	153.5	60%	0.601	76%	0.758	S	S	*	*			cis	-164.2	155.1	8.6	-4.7	0	0	0	0	111.4
423	H	33.9	Very low	29	Very low	161 Å²	161	155.8 Å²	155.8	75%	0.745	76%	0.758	S	S	*	*			trans	60	138.9	156.3	-57.5	-50.1	0	0	0	120.2
424	N	30.8	Very low	28.8	Very low	133 Å²	133	148.6 Å²	148.6	71%	0.711	75%	0.746	S	S	*	*			cis	-155.6	107.2	-14.5	-128.7	-1.4	0	0	0	112.9
425	K	28.2	Very low	29	Very low	201 Å²	201	148.2 Å²	148.2	87%	0.874	74%	0.744	S	S	*	*			trans	23.7	117.8	153.3	-60.4	176.6	178.8	178.7	0	121
426	R	27.9	Very low	29.3	Very low	250 Å²	250	145.5 Å²	145.5	94%	0.943	74%	0.739	S	S	*	*				-142.8	147.1	116.3	-162.4	164.3	-178.9	161.2	-0.4	109.8
427	S	28.9	Very low	29.6	Very low	73 Å²	73	151 Å²	151	51%	0.51	74%	0.738	S	S	.	*			trans	-83.4	137.2	-159.9	-163.8	0	0	0	0	114.6	F429	S427-F429 VanDerWaalsContact CB-CE2 3.4Å; S427-F429 WeakPolarHBondContact OG-CD2 3.17Å; S427-F429 WeakPolarHBondContact OG-CE2 3.32Å; S427-F429 WeakPolarHBondContact OG-CZ 3.39Å
428	K	26.8	Very low	29.6	Very low	206 Å²	206	155 Å²	155	90%	0.896	74%	0.741	S	S	*	*			trans	-82.2	107.9	152.9	-74.9	-175	176.2	-176.4	0	107.8
429	F	28.2	Very low	29.5	Very low	158 Å²	158	154.1 Å²	154.1	69%	0.693	74%	0.739	S	S	*	*			trans	-98.1	104.4	167.6	-77.3	-66.7	0	0	0	109.7	S427	S427-F429 VanDerWaalsContact CB-CE2 3.4Å; S427-F429 WeakPolarHBondContact OG-CD2 3.17Å; S427-F429 WeakPolarHBondContact OG-CE2 3.32Å; S427-F429 WeakPolarHBondContact OG-CZ 3.39Å
430	Q	25.8	Very low	29.5	Very low	149 Å²	149	151.6 Å²	151.6	70%	0.696	74%	0.742	S	S	*	*			trans	-88.3	110	169	-179.5	171.3	-10.2	0	0	107.5	F432	Q430-F432 HydrophobicContact CB-CE2 4.12Å; Q430-F432 HydrophobicContact CG-CD2 4.1Å; Q430-F432 HydrophobicContact CG-CE2 3.67Å; Q430-F432 HydrophobicContact CG-CZ 4.08Å; Q430-F432 VanDerWaalsContact NE2-CZ 3.31Å; Q430-F432 WeakPolarHBondContact O-CD2 3.07Å; Q430-F432 PolarHBondContact O-N 3.24Å; Q430-F432 VanDerWaalsContact O-N 3.16Å
431	I	29.8	Very low	29.4	Very low	105 Å²	105	152.9 Å²	152.9	54%	0.538	74%	0.743	S	S	.	*			trans	-78.6	100.5	177.7	-60.2	176.6	0	0	0	107.8	Y433	I431-Y433 HydrophobicContact CG2-CD2 4.46Å; I431-Y433 HydrophobicContact CG2-CE1 4.44Å; I431-Y433 HydrophobicContact CG2-CE2 4.08Å; I431-Y433 PolarHBondContact O-N 3.31Å
432	F	26.4	Very low	29.4	Very low	160 Å²	160	152.4 Å²	152.4	70%	0.702	75%	0.746	S	S	*	*			trans	-76.2	114.5	164.5	-69.4	-94	0	0	0	108.2	Q430	Q430-F432 HydrophobicContact CB-CE2 4.12Å; Q430-F432 HydrophobicContact CG-CD2 4.1Å; Q430-F432 HydrophobicContact CG-CE2 3.67Å; Q430-F432 HydrophobicContact CG-CZ 4.08Å; Q430-F432 VanDerWaalsContact NE2-CZ 3.31Å; Q430-F432 WeakPolarHBondContact O-CD2 3.07Å; Q430-F432 PolarHBondContact O-N 3.24Å; Q430-F432 VanDerWaalsContact O-N 3.16Å
433	Y	31.4	Very low	29.5	Very low	178 Å²	178	155.3 Å²	155.3	70%	0.698	76%	0.758	S	S	*	*			trans	-74.2	134.3	156.5	-66.9	-76.7	0	0	0	107.3	I431 D435	I431-Y433 HydrophobicContact CG2-CD2 4.46Å; I431-Y433 HydrophobicContact CG2-CE1 4.44Å; I431-Y433 HydrophobicContact CG2-CE2 4.08Å; I431-Y433 PolarHBondContact O-N 3.31Å; Y433-D435 PolarHBondContact O-N 3.18Å
434	G	27.2	Very low	29.3	Very low	69 Å²	69	154.2 Å²	154.2	71%	0.711	76%	0.757	S	S	*	*			trans	-71.6	118.9	-171.6	0	0	0	0	0	112.6	D436	G434-D436 PolarHBondContact O-N 3.48Å
435	D	28.7	Very low	29.5	Very low	133 Å²	133	155.7 Å²	155.7	71%	0.711	77%	0.765	S	S	*	*			trans	-77.9	96.3	163.7	-66.8	-40.7	0	0	0	108.9	Y433 Y437	Y433-D435 PolarHBondContact O-N 3.18Å; D435-Y437 HydrophobicContact CB-CD2 3.7Å; D435-Y437 HydrophobicContact CB-CE2 3.62Å; D435-Y437 PolarHBondContact O-N 2.79Å
436	D	32.3	Very low	29.8	Very low	147 Å²	147	154.2 Å²	154.2	79%	0.786	76%	0.761	S	S	*	*			trans	-71.1	75.4	174.2	-82.7	-28	0	0	0	110.9	G434 F438	G434-D436 PolarHBondContact O-N 3.48Å; D436-F438 PolarHBondContact O-N 3.4Å
437	Y	31.4	Very low	30.1	Very low	190 Å²	190	147.9 Å²	147.9	75%	0.745	75%	0.746	S	S	*	*			trans	-64.9	102	172.4	-85.7	-89.8	0	0	0	110.8	D435 N439	D435-Y437 HydrophobicContact CB-CD2 3.7Å; D435-Y437 HydrophobicContact CB-CE2 3.62Å; D435-Y437 PolarHBondContact O-N 2.79Å; Y437-N439 PolarHBondContact O-N 3.48Å
438	F	28.1	Very low	30.2	Very low	191 Å²	191	150.3 Å²	150.3	84%	0.838	75%	0.753	S	S	*	*			trans	-68.7	75.7	170.5	-88.8	-91.4	0	0	0	111.9	D436 S440	D436-F438 PolarHBondContact O-N 3.4Å; F438-S440 PolarHBondContact O-N 2.93Å
439	N	30.6	Very low	30.6	Very low	150 Å²	150	147.6 Å²	147.6	80%	0.802	75%	0.749	S	S	*	*			trans	-72.8	112	166.6	-81.1	-10.7	0	0	0	109.9	Y437	Y437-N439 PolarHBondContact O-N 3.48Å
440	S	28.3	Very low	30.9	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	76%	0.759	S	S	*	*			trans	-90.7	103.3	176.6	-175.1	0	0	0	0	110.4	F438	F438-S440 PolarHBondContact O-N 2.93Å
441	E	33.1	Very low	31.2	Very low	188 Å²	188	150 Å²	150	88%	0.879	77%	0.767	S	S	*	*			trans	-125.3	136.4	160	-71.9	-156.5	128.9	0	0	110.8
442	N	27.9	Very low	31.5	Very low	146 Å²	146	152.6 Å²	152.6	78%	0.781	78%	0.78	S	S	*	*			trans	-77.9	138.6	177.1	-64.7	-71.7	0	0	0	110.1
443	N	33.5	Very low	31.7	Very low	159 Å²	159	154.2 Å²	154.2	85%	0.85	79%	0.787	S	S	*	*				-161.8	154.8	127.2	-105.8	-53.6	0	0	0	112.8
444	N	29.8	Very low	31.7	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	79%	0.79	S	S	*	*			trans	-80.6	141.5	-172.9	-56.8	-73.4	0	0	0	111.9
445	N	36.2	Very low	32.1	Very low	163 Å²	163	155 Å²	155	87%	0.872	79%	0.792	S	S	*	*				-177.1	152.4	110.9	-91.2	-37.5	0	0	0	114.5
446	H	32.7	Very low	32.3	Very low	170 Å²	170	158.1 Å²	158.1	79%	0.787	80%	0.799	S	S	*	*			trans	-44.7	150.3	159.8	-86.2	-15.5	0	0	0	112.6
447	N	35	Very low	32.2	Very low	117 Å²	117	159.1 Å²	159.1	63%	0.626	80%	0.799	S	S	*	*			cis	-162.1	157.6	32.9	-109.7	-29.5	0	0	0	112.9
448	N	30.7	Very low	32.2	Very low	125 Å²	125	157.4 Å²	157.4	67%	0.668	80%	0.802	S	S	*	*			trans	38.3	107.6	145.3	-52.6	-20.4	0	0	0	120.4
449	N	36.7	Very low	32.3	Very low	149 Å²	149	154.1 Å²	154.1	80%	0.797	79%	0.793	S	S	*	*				-177.2	136.2	100.9	-90.7	-28.5	0	0	0	113.8	L451	N449-L451 PolarHBondContact O-N 3.42Å
450	Q	33.8	Very low	32.4	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	80%	0.799	S	S	*	*			trans	11	85.7	158.2	-56.6	-178.8	11.6	0	0	118
451	L	31.2	Very low	32.8	Very low	165 Å²	165	154 Å²	154	86%	0.864	79%	0.793	S	S	*	*			trans	-116.8	138.9	152.4	-140.1	80.5	0	0	0	109.3	N449 K453	N449-L451 PolarHBondContact O-N 3.42Å; L451-K453 PolarHBondContact O-N 3.33Å
452	I	36.5	Very low	33.2	Very low	159 Å²	159	154.2 Å²	154.2	82%	0.815	79%	0.794	S	S	*	*			trans	-64.8	124.3	-173.7	-64.5	169.4	0	0	0	109.6	L454	I452-L454 PolarHBondContact O-N 3.1Å
453	K	30.4	Very low	34.5	Very low	194 Å²	194	152.4 Å²	152.4	84%	0.843	78%	0.784	S	S	*	*			trans	-70.9	95.9	175.5	-72.4	-177.7	178.2	178.4	0	110.2	L451	L451-K453 PolarHBondContact O-N 3.33Å
454	L	32.3	Very low	35.9	Very low	146 Å²	146	150.6 Å²	150.6	76%	0.764	77%	0.77	S	S	*	*			trans	-58.9	136.5	150.6	-108.8	73.1	0	0	0	108.3	I452 K456	I452-L454 PolarHBondContact O-N 3.1Å; L454-K456 PolarHBondContact O-N 2.63Å
455	P	35.2	Very low	37.9	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	74%	0.74	S	S	*	*			trans	-70.5	101.3	-178	27.4	-33.5	0	0	0	110.8	Q457	P455-Q457 PolarHBondContact O-N 2.87Å
456	K	32	Very low	40.1	Very low	198 Å²	198	138.1 Å²	138.1	86%	0.861	70%	0.704	S	S	*	*			trans	-71.2	64.8	167.6	-73.1	-167.9	173.5	-170.8	0	111.2	L454	L454-K456 PolarHBondContact O-N 2.63Å
457	Q	31.3	Very low	42.7	Very low	167 Å²	167	131.7 Å²	131.7	78%	0.78	67%	0.673	S	S	*	*			trans	-144	60.9	172.1	-71.3	-165.6	-8.9	0	0	111.4	P455	P455-Q457 PolarHBondContact O-N 2.87Å
458	L	31.6	Very low	45.4	Very low	154 Å²	154	127.6 Å²	127.6	81%	0.806	65%	0.651	S	S	*	*			trans	-90.7	98	149.4	-105.4	134.3	0	0	0	106.5
459	N	30.6	Very low	48.3	Very low	122 Å²	122	121.8 Å²	121.8	65%	0.652	62%	0.619	S	S	*	*			trans	-62.8	144.1	168.7	-69.9	-23.2	0	0	0	108.5	T461	N459-T461 PolarHBondContact O-N 2.76Å
460	T	31.5	Very low	51	Low	151 Å²	151	115.4 Å²	115.4	93%	0.926	59%	0.587	S	S	*	*			trans	-75.1	71.8	176.4	50.9	0	0	0	0	110.9
461	T	37.4	Very low	53.8	Low	111 Å²	111	107.5 Å²	107.5	68%	0.681	55%	0.55	S	S	*	*			trans	-99.1	148.2	159.4	48.8	0	0	0	0	108.2	N459 I463	N459-T461 PolarHBondContact O-N 2.76Å; T461-I463 PolarHBondContact O-N 2.88Å; T461-I463 VanDerWaalsContact O-N 3.09Å
462	E	41.7	Very low	56.9	Low	193 Å²	193	102.6 Å²	102.6	90%	0.902	53%	0.528	S	S	*	.			trans	-54.8	114.7	-168.9	-63.1	173.1	150.8	0	0	111.7	E464	E462-E464 VanDerWaalsContact C-N 3.28Å; E462-E464 PolarHBondContact O-N 2.87Å
463	I	54.3	Low	59.6	Low	109 Å²	109	96 Å²	96	56%	0.559	49%	0.493	S	S	*	.			trans	-75	89.4	175.5	-58.1	178.5	0	0	0	107	T461 S465 P624	T461-I463 PolarHBondContact O-N 2.88Å; T461-I463 VanDerWaalsContact O-N 3.09Å; I463-S465 PolarHBondContact O-N 2.84Å; I463-P624 HydrophobicContact CG2-CG 3.99Å
464	E	63.7	Low	62.6	Low	121 Å²	121	88.7 Å²	88.7	57%	0.565	47%	0.466	S	S	*	.			trans	-54.7	120	-179.1	-168.1	173.3	-164.3	0	0	109.8	E462 H466 P506 Y507	E462-E464 VanDerWaalsContact C-N 3.28Å; E462-E464 PolarHBondContact O-N 2.87Å; E464-H466 PolarHBondContact O-N 3.05Å; E464-P506 VanDerWaalsContact CD-CG 3.42Å; E464-P506 HydrophobicContact CG-CB 3.97Å; E464-P506 HydrophobicContact CG-CG 3.92Å; E464-P506 WeakPolarHBondContact OE1-CG 3.36Å; E464-Y507 HydrophobicContact CG-CE2 4.49Å
465	S	71.2	Confident	65.6	Low	16 Å²	16	82.6 Å²	82.6	11%	0.112	43%	0.434	C	S	.	.			trans	-85.8	108.9	-167.3	52.3	0	0	0	0	111.7	I463 Y467 K621	I463-S465 PolarHBondContact O-N 2.84Å; S465-Y467 WeakPolarHBondContact O-CD2 2.99Å; S465-Y467 WeakPolarHBondContact O-CE2 3.28Å; S465-K621 PolarHBondContact OG-NZ 2.82Å
466	H	82.7	Confident	68.4	Low	22 Å²	22	77.8 Å²	77.8	10%	0.102	40%	0.403	C	S	.	.			trans	-64.9	134.5	173.8	-149.2	109.8	0	0	0	111.8	E464 T503 H505 P506 L622 M627	E464-H466 PolarHBondContact O-N 3.05Å; H466-T503 PolarHBondContact CE1-O 2.95Å; H466-T503 PolarHBondContact NE2-O 2.88Å; H466-H505 VanDerWaalsContact CE1-C 3.43Å; H466-H505 PolarHBondContact CE1-O 2.89Å; H466-H505 PolarHBondContact NE2-O 2.86Å; H466-P506 WeakPolarHBondContact CA-O 3.46Å; H466-L622 HydrophobicContact CB-CB 4.39Å; H466-L622 HydrophobicContact CB-CD1 4.29Å; H466-L622 PolarHBondContact O-N 3.13Å; H466-M627 HydrophobicContact CB-CE 3.63Å; H466-M627 HydrophobicContact CB-CG 4.39Å; H466-M627 HydrophobicContact CB-SD 4.09Å
467	Y	87.9	Confident	71.3	Confident	35 Å²	35	70.2 Å²	70.2	14%	0.137	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.5	177.5	-72.6	-91.1	0	0	0	112	S465 P506 Y507 P581 Q619 R620 K621	S465-Y467 WeakPolarHBondContact O-CD2 2.99Å; S465-Y467 WeakPolarHBondContact O-CE2 3.28Å; Y467-P506 PolarHBondContact N-O 3.15Å; Y467-Y507 HydrophobicContact CD2-CD1 4.02Å; Y467-Y507 AromaticContact CD2-CE1 3.81Å; Y467-Y507 HydrophobicContact CD2-CE1 3.81Å; Y467-Y507 HydrophobicContact CE2-CD1 4.44Å; Y467-Y507 AromaticContact CE2-CE1 3.79Å; Y467-Y507 HydrophobicContact CE2-CE1 3.79Å; Y467-P581 HydrophobicContact CD1-CB 4.21Å; Y467-P581 HydrophobicContact CD2-CG 4.2Å; Y467-P581 HydrophobicContact CE1-CB 3.63Å; Y467-P581 HydrophobicContact CE1-CG 4.15Å; Y467-P581 HydrophobicContact CE2-CB 4.12Å; Y467-P581 HydrophobicContact CE2-CG 3.7Å; Y467-Q619 VanDerWaalsContact CB-OE1 3.24Å; Y467-Q619 HydrophobicContact CD1-CB 4.08Å; Y467-R620 WeakPolarHBondContact CA-O 3.26Å; Y467-K621 HydrophobicContact CD1-CB 4.21Å; Y467-K621 HydrophobicContact CE1-CB 3.78Å; Y467-K621 HydrophobicContact CE1-CD 4.49Å
468	I	89.9	Confident	74.2	Confident	31 Å²	31	66.1 Å²	66.1	16%	0.159	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.8	176.4	-162.4	167.1	0	0	0	110.1	Q619 R620 L622 I682	I468-Q619 CarbonylContact O-C 3.59Å; I468-Q619 WeakPolarHBondContact O-CA 3.24Å; I468-R620 HydrophobicContact CG2-CB 4.41Å; I468-R620 PolarHBondContact N-O 2.99Å; I468-R620 PolarHBondContact O-N 2.91Å; I468-L622 HydrophobicContact CB-CD1 4.22Å; I468-L622 HydrophobicContact CB-CD2 4.2Å; I468-L622 HydrophobicContact CB-CG 4.06Å; I468-L622 HydrophobicContact CD1-CD2 4.45Å; I468-L622 HydrophobicContact CG2-CD2 3.65Å; I468-L622 HydrophobicContact CG2-CG 3.9Å; I468-I682 HydrophobicContact CD1-CD1 3.85Å; I468-I682 HydrophobicContact CG1-CD1 4.21Å
469	W	92.8	Very high	77	Confident	3 Å²	3	64.7 Å²	64.7	1%	0.011	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.9	173.5	-74.9	94	0	0	0	110.9	I499 T508 I511 F579 D583 I585 I617 Q619	W469-I499 HydrophobicContact CB-CD1 4.39Å; W469-I499 HydrophobicContact CB-CG2 3.98Å; W469-T508 PolarHBondContact NE1-OG1 3.5Å; W469-I511 HydrophobicContact CB-CG2 4.49Å; W469-I511 HydrophobicContact CD2-CD1 4.19Å; W469-I511 HydrophobicContact CG-CD1 4.22Å; W469-I511 HydrophobicContact CG-CG2 3.89Å; W469-F579 HydrophobicContact CZ2-CB 3.81Å; W469-F579 AromaticContact CZ2-CD1 3.96Å; W469-F579 HydrophobicContact CZ2-CD1 3.96Å; W469-F579 AromaticContact CZ2-CD2 3.77Å; W469-F579 HydrophobicContact CZ2-CD2 3.77Å; W469-F579 HydrophobicContact CZ2-CE1 4.42Å; W469-F579 HydrophobicContact CZ2-CE2 4.27Å; W469-F579 AromaticContact CZ2-CG 3.6Å; W469-F579 HydrophobicContact CZ2-CG 3.6Å; W469-F579 AromaticContact NE1-CD2 3.97Å; W469-D583 HydrophobicContact CH2-CB 4.14Å; W469-I585 HydrophobicContact CE3-CD1 4.29Å; W469-I585 HydrophobicContact CH2-CD1 3.69Å; W469-I585 HydrophobicContact CH2-CG1 3.88Å; W469-I585 HydrophobicContact CZ2-CD1 4.09Å; W469-I585 HydrophobicContact CZ3-CB 4.4Å; W469-I585 HydrophobicContact CZ3-CD1 3.81Å; W469-I585 HydrophobicContact CZ3-CG1 3.95Å; W469-I617 HydrophobicContact CB-CG2 4.45Å; W469-I617 HydrophobicContact CE3-CB 4.47Å; W469-I617 HydrophobicContact CE3-CG2 3.97Å; W469-Q619 HydrophobicContact CD2-CG 3.6Å; W469-Q619 VanDerWaalsContact CE2-CG 3.47Å; W469-Q619 HydrophobicContact CE3-CG 3.9Å; W469-Q619 HydrophobicContact CG-CG 4.13Å; W469-Q619 HydrophobicContact CH2-CG 4.04Å; W469-Q619 HydrophobicContact CZ2-CG 3.73Å; W469-Q619 VanDerWaalsContact CZ2-NE2 3.33Å; W469-Q619 HydrophobicContact CZ3-CG 4.1Å
470	S	92.3	Very high	79.8	Confident	16 Å²	16	65 Å²	65	11%	0.112	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	144.9	-168.8	63.9	0	0	0	0	112.3	I617 E618 R620	S470-I617 WeakPolarHBondContact O-CA 3.38Å; S470-I617 VanDerWaalsContact O-CG2 3.3Å; S470-I617 WeakPolarHBondContact O-CG2 3.3Å; S470-E618 PolarHBondContact N-O 3.06Å; S470-E618 PolarHBondContact O-N 3.2Å; S470-E618 PolarHBondContact OG-O 3.14Å; S470-R620 WeakPolarHBondContact OG-CD 3.43Å; S470-R620 VanDerWaalsContact OG-CG 3.29Å; S470-R620 WeakPolarHBondContact OG-CG 3.41Å; S470-R620 PolarHBondContact OG-NE 2.8Å; S470-R620 VanDerWaalsContact OG-NE 3.16Å; S470-R620 PolarHBondContact OG-NH1 2.89Å; S470-R620 VanDerWaalsContact OG-NH1 3.15Å
471	L	94.6	Very high	82.7	Confident	26 Å²	26	65.6 Å²	65.6	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.3	176.8	-50.4	174.7	0	0	0	109.9	F473 I497 I499 I617 R620	L471-F473 HydrophobicContact CB-CD1 4.42Å; L471-F473 HydrophobicContact CB-CE1 4.32Å; L471-F473 HydrophobicContact CB-CZ 4.47Å; L471-F473 HydrophobicContact CD1-CE2 4.41Å; L471-F473 HydrophobicContact CD2-CE1 4.06Å; L471-F473 HydrophobicContact CD2-CE2 4.4Å; L471-F473 HydrophobicContact CD2-CZ 3.77Å; L471-F473 HydrophobicContact CG-CZ 4.48Å; L471-I497 HydrophobicContact CD1-CG2 3.76Å; L471-I497 HydrophobicContact CD2-CG2 3.77Å; L471-I497 HydrophobicContact CG-CG2 4.44Å; L471-I499 HydrophobicContact CD2-CD1 3.87Å; L471-I499 HydrophobicContact CD2-CG1 4.17Å; L471-I499 HydrophobicContact CG-CD1 4.18Å; L471-I617 HydrophobicContact CD2-CD1 4.24Å; L471-I617 HydrophobicContact CD2-CG1 4.16Å; L471-R620 PolarHBondContact O-NH1 2.76Å; L471-R620 PolarHBondContact O-NH2 3.08Å
472	T	94.3	Very high	85.4	Confident	63 Å²	63	65.1 Å²	65.1	39%	0.387	32%	0.32	S	S	.	.	S	Bend	trans	-82.1	-22.8	167.2	63.7	0	0	0	0	112.2	I616 E618	T472-I616 HydrophobicContact CG2-CB 4.08Å; T472-I616 HydrophobicContact CG2-CG2 4.13Å; T472-I616 PolarHBondContact N-O 3.36Å; T472-I616 VanDerWaalsContact N-O 3.16Å; T472-I616 PolarHBondContact OG1-O 2.78Å; T472-I616 VanDerWaalsContact OG1-O 3.05Å; T472-E618 HydrophobicContact CG2-CB 4.3Å; T472-E618 VanDerWaalsContact CG2-CD 3.41Å; T472-E618 HydrophobicContact CG2-CG 3.6Å; T472-E618 WeakPolarHBondContact CG2-OE2 3.43Å
473	F	94.2	Very high	87.9	Confident	20 Å²	20	56.5 Å²	56.5	9%	0.088	28%	0.28	C	S	.	.	S	Bend	trans	-105.9	157.5	-174.7	57.3	-86.5	0	0	0	112.6	L471 L494 I497 F587 Y615 I616	L471-F473 HydrophobicContact CB-CD1 4.42Å; L471-F473 HydrophobicContact CB-CE1 4.32Å; L471-F473 HydrophobicContact CB-CZ 4.47Å; L471-F473 HydrophobicContact CD1-CE2 4.41Å; L471-F473 HydrophobicContact CD2-CE1 4.06Å; L471-F473 HydrophobicContact CD2-CE2 4.4Å; L471-F473 HydrophobicContact CD2-CZ 3.77Å; L471-F473 HydrophobicContact CG-CZ 4.48Å; F473-L494 HydrophobicContact CE2-CD2 3.96Å; F473-L494 HydrophobicContact CZ-CD2 4.27Å; F473-I497 HydrophobicContact CE2-CG2 3.89Å; F473-I497 HydrophobicContact CZ-CG2 3.92Å; F473-F587 HydrophobicContact CZ-CZ 4.37Å; F473-Y615 AromaticContact CD1-CD1 3.88Å; F473-Y615 HydrophobicContact CD1-CD1 3.88Å; F473-Y615 AromaticContact CD2-CD1 3.66Å; F473-Y615 HydrophobicContact CD2-CD1 3.66Å; F473-Y615 AromaticContact CD2-CE1 3.91Å; F473-Y615 HydrophobicContact CD2-CE1 3.91Å; F473-Y615 AromaticContact CE1-CD1 3.72Å; F473-Y615 HydrophobicContact CE1-CD1 3.72Å; F473-Y615 HydrophobicContact CE1-CG 4.24Å; F473-Y615 AromaticContact CE2-CD1 3.48Å; F473-Y615 HydrophobicContact CE2-CD1 3.48Å; F473-Y615 VanDerWaalsContact CE2-CD1 3.48Å; F473-Y615 AromaticContact CE2-CE1 3.92Å; F473-Y615 HydrophobicContact CE2-CE1 3.92Å; F473-Y615 HydrophobicContact CE2-CG 4.43Å; F473-Y615 AromaticContact CG-CD1 3.86Å; F473-Y615 HydrophobicContact CG-CD1 3.86Å; F473-Y615 HydrophobicContact CG-CE1 4.35Å; F473-Y615 AromaticContact CZ-CD1 3.49Å; F473-Y615 HydrophobicContact CZ-CD1 3.49Å; F473-Y615 VanDerWaalsContact CZ-CD1 3.49Å; F473-Y615 HydrophobicContact CZ-CE1 4.38Å; F473-Y615 HydrophobicContact CZ-CG 4.08Å; F473-I616 WeakPolarHBondContact CD1-O 3.33Å; F473-I616 WeakPolarHBondContact CE1-O 3.46Å
474	S	94	Very high	89.7	Confident	41 Å²	41	54.5 Å²	54.5	29%	0.287	27%	0.265	S	S	.	.			trans	-78	141.1	168.8	54.3	0	0	0	0	111.1
475	Q	94.5	Very high	91.1	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.079	26%	0.26	C	S	.	.			trans	-45.5	121.1	172.6	-60	-70	-0.8	0	0	110.6	A477 S478 I497 S684	Q475-A477 VanDerWaalsContact C-N 3.31Å; Q475-A477 PolarHBondContact O-N 2.93Å; Q475-S478 VanDerWaalsContact O-CB 3.26Å; Q475-S478 WeakPolarHBondContact O-CB 3.27Å; Q475-S478 PolarHBondContact O-N 3.44Å; Q475-S478 PolarHBondContact O-OG 2.78Å; Q475-I497 PolarHBondContact NE2-O 2.81Å; Q475-I497 PolarHBondContact OE1-O 2.9Å; Q475-S684 WeakPolarHBondContact CG-O 3.33Å; Q475-S684 PolarHBondContact NE2-O 3.09Å; Q475-S684 VanDerWaalsContact NE2-O 3.09Å
476	P	94.5	Very high	92.2	Very high	18 Å²	18	54 Å²	54	12%	0.117	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57.8	-40.8	-173.6	-28.2	36	0	0	0	113.4	S478 R479 F483 L494 Y615	P476-S478 PolarHBondContact O-N 2.85Å; P476-S478 VanDerWaalsContact O-N 3.1Å; P476-R479 PolarHBondContact O-N 2.97Å; P476-F483 HydrophobicContact CB-CD2 4.16Å; P476-L494 WeakPolarHBondContact CB-O 3.19Å; P476-L494 HydrophobicContact CG-CB 4.14Å; P476-L494 HydrophobicContact CG-CD2 4.35Å; P476-L494 HydrophobicContact CG-CG 4.31Å; P476-L494 WeakPolarHBondContact CG-O 3.49Å; P476-Y615 HydrophobicContact CG-CE1 4.16Å
477	A	92	Very high	92.7	Very high	39 Å²	39	53 Å²	53	32%	0.322	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61.5	-18.4	176.7	0	0	0	0	0	114.7	Q475 R479 E495	Q475-A477 VanDerWaalsContact C-N 3.31Å; Q475-A477 PolarHBondContact O-N 2.93Å; A477-R479 PolarHBondContact O-N 2.95Å; A477-E495 HydrophobicContact CB-CG 3.89Å; A477-E495 WeakPolarHBondContact CB-O 3.43Å; A477-E495 PolarHBondContact N-O 2.75Å; A477-E495 VanDerWaalsContact N-O 3.1Å
478	S	92.6	Very high	93	Very high	80 Å²	80	53.7 Å²	53.7	56%	0.559	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.4	173.3	71.9	0	0	0	0	112.7	Q475 P476	Q475-S478 VanDerWaalsContact O-CB 3.26Å; Q475-S478 WeakPolarHBondContact O-CB 3.27Å; Q475-S478 PolarHBondContact O-N 3.44Å; Q475-S478 PolarHBondContact O-OG 2.78Å; P476-S478 PolarHBondContact O-N 2.85Å; P476-S478 VanDerWaalsContact O-N 3.1Å
479	R	90.4	Very high	93.2	Very high	124 Å²	124	59.1 Å²	59.1	47%	0.468	28%	0.283	S	S	.	.	S	Bend	trans	-110	65.9	175.9	-57.2	-168.6	-169.4	-173.7	4.2	110.4	P476 A477 Y481 E482 F483	P476-R479 PolarHBondContact O-N 2.97Å; A477-R479 PolarHBondContact O-N 2.95Å; R479-Y481 VanDerWaalsContact C-N 3.29Å; R479-Y481 PolarHBondContact O-N 3.03Å; R479-E482 HydrophobicContact CB-CB 4.2Å; R479-E482 VanDerWaalsContact CD-CD 3.45Å; R479-E482 WeakPolarHBondContact CD-OE1 3.38Å; R479-E482 WeakPolarHBondContact CD-OE2 3.43Å; R479-E482 IonicContact CZ-OE2 2.65Å; R479-E482 IonicContact NE-OE2 3.66Å; R479-E482 IonicContact NH1-OE1 3.42Å; R479-E482 PolarHBondContact NH1-OE1 3.19Å; R479-E482 IonicContact NH1-OE2 3.68Å; R479-E482 PolarHBondContact NH1-OE2 3.39Å; R479-E482 PolarHBondContact O-N 3.12Å; R479-E482 VanDerWaalsContact O-N 3.08Å; R479-F483 PolarHBondContact O-N 3.18Å
480	Y	89.9	Confident	93.3	Very high	130 Å²	130	61 Å²	61	51%	0.51	29%	0.293	S	S	.	.	H	α-helix	trans	-42	-49.7	-173.2	-179.2	-107.8	0	0	0	114.1	F483 R484	Y480-F483 PolarHBondContact O-N 3.17Å; Y480-R484 HydrophobicContact CD1-CG 4.13Å; Y480-R484 HydrophobicContact CD2-CG 3.84Å; Y480-R484 HydrophobicContact CE1-CG 3.86Å; Y480-R484 VanDerWaalsContact CE2-CD 3.5Å; Y480-R484 HydrophobicContact CE2-CG 3.54Å; Y480-R484 HydrophobicContact CG-CG 4.12Å; Y480-R484 WeakPolarHBondContact O-CB 3.2Å; Y480-R484 WeakPolarHBondContact O-CG 3.39Å; Y480-R484 PolarHBondContact O-N 3.49Å
481	Y	92.9	Very high	93.5	Very high	162 Å²	162	63.5 Å²	63.5	64%	0.635	30%	0.301	S	S	*	.	H	α-helix	trans	-61.7	-49.3	-177.9	-172.6	-101.5	0	0	0	113.3	R479 R484 Q485	R479-Y481 VanDerWaalsContact C-N 3.29Å; R479-Y481 PolarHBondContact O-N 3.03Å; Y481-R484 PolarHBondContact O-N 3.32Å; Y481-Q485 HydrophobicContact CD1-CG 4.47Å; Y481-Q485 HydrophobicContact CE1-CG 4.2Å; Y481-Q485 VanDerWaalsContact CE1-OE1 3.23Å; Y481-Q485 WeakPolarHBondContact O-CG 3.45Å; Y481-Q485 PolarHBondContact O-N 3.27Å; Y481-Q485 PolarHBondContact OH-NE2 3.19Å
482	E	92.4	Very high	93.6	Very high	102 Å²	102	62.3 Å²	62.3	48%	0.477	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-46.1	177.7	-67.4	167.5	-141.4	0	0	110.8	R479 R484 Q485 K486	R479-E482 HydrophobicContact CB-CB 4.2Å; R479-E482 VanDerWaalsContact CD-CD 3.45Å; R479-E482 WeakPolarHBondContact CD-OE1 3.38Å; R479-E482 WeakPolarHBondContact CD-OE2 3.43Å; R479-E482 IonicContact CZ-OE2 2.65Å; R479-E482 IonicContact NE-OE2 3.66Å; R479-E482 IonicContact NH1-OE1 3.42Å; R479-E482 PolarHBondContact NH1-OE1 3.19Å; R479-E482 IonicContact NH1-OE2 3.68Å; R479-E482 PolarHBondContact NH1-OE2 3.39Å; R479-E482 PolarHBondContact O-N 3.12Å; R479-E482 VanDerWaalsContact O-N 3.08Å; E482-R484 PolarHBondContact O-N 2.98Å; E482-Q485 PolarHBondContact O-N 3.44Å; E482-K486 WeakPolarHBondContact O-CB 3.47Å; E482-K486 PolarHBondContact O-N 3.38Å
483	F	93.9	Very high	93.8	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.053	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-41.3	175.9	172.5	-111.9	0	0	0	112.7	P476 R479 Y480 L487 S493 L494 E495 K518	P476-F483 HydrophobicContact CB-CD2 4.16Å; R479-F483 PolarHBondContact O-N 3.18Å; Y480-F483 PolarHBondContact O-N 3.17Å; F483-L487 HydrophobicContact CD1-CD1 4.14Å; F483-L487 HydrophobicContact CD2-CD1 4.34Å; F483-L487 HydrophobicContact CE1-CD1 3.71Å; F483-L487 HydrophobicContact CE2-CD1 3.91Å; F483-L487 HydrophobicContact CE2-CG 4.32Å; F483-L487 HydrophobicContact CG-CD1 4.45Å; F483-L487 HydrophobicContact CZ-CD1 3.59Å; F483-L487 HydrophobicContact CZ-CG 4.47Å; F483-L487 WeakPolarHBondContact O-CG 3.31Å; F483-L487 PolarHBondContact O-N 3.26Å; F483-S493 WeakPolarHBondContact CD2-OG 3.44Å; F483-L494 WeakPolarHBondContact CE2-O 3.48Å; F483-E495 HydrophobicContact CE2-CB 3.98Å; F483-E495 HydrophobicContact CE2-CG 4.38Å; F483-E495 HydrophobicContact CZ-CB 3.83Å; F483-E495 HydrophobicContact CZ-CG 3.84Å; F483-K518 HydrophobicContact CE1-CD 4.44Å; F483-K518 HydrophobicContact CZ-CB 4.07Å; F483-K518 HydrophobicContact CZ-CD 4.09Å
484	R	92.8	Very high	93.9	Very high	66 Å²	66	58.3 Å²	58.3	25%	0.249	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-40.1	177.3	-67.5	-69.3	-66.2	148.7	9.3	112.2	Y480 Y481 E482 E488 Y563	Y480-R484 HydrophobicContact CD1-CG 4.13Å; Y480-R484 HydrophobicContact CD2-CG 3.84Å; Y480-R484 HydrophobicContact CE1-CG 3.86Å; Y480-R484 VanDerWaalsContact CE2-CD 3.5Å; Y480-R484 HydrophobicContact CE2-CG 3.54Å; Y480-R484 HydrophobicContact CG-CG 4.12Å; Y480-R484 WeakPolarHBondContact O-CB 3.2Å; Y480-R484 WeakPolarHBondContact O-CG 3.39Å; Y480-R484 PolarHBondContact O-N 3.49Å; Y481-R484 PolarHBondContact O-N 3.32Å; E482-R484 PolarHBondContact O-N 2.98Å; R484-E488 PolarHBondContact O-N 3.41Å; R484-Y563 VanDerWaalsContact CZ-OH 3.28Å; R484-Y563 PolarHBondContact NH1-OH 3.19Å; R484-Y563 PolarHBondContact NH2-OH 3.05Å
485	Q	94	Very high	94	Very high	100 Å²	100	57.7 Å²	57.7	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-45.9	174.7	-73	-178.2	-52.4	0	0	111.4	Y481 E482 L487 E488 K489	Y481-Q485 HydrophobicContact CD1-CG 4.47Å; Y481-Q485 HydrophobicContact CE1-CG 4.2Å; Y481-Q485 VanDerWaalsContact CE1-OE1 3.23Å; Y481-Q485 WeakPolarHBondContact O-CG 3.45Å; Y481-Q485 PolarHBondContact O-N 3.27Å; Y481-Q485 PolarHBondContact OH-NE2 3.19Å; E482-Q485 PolarHBondContact O-N 3.44Å; Q485-L487 PolarHBondContact O-N 3.32Å; Q485-E488 PolarHBondContact O-N 3.2Å; Q485-E488 VanDerWaalsContact O-N 3.12Å; Q485-K489 PolarHBondContact O-N 2.65Å
486	K	93.6	Very high	94	Very high	27 Å²	27	59.5 Å²	59.5	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-47.9	177.2	-165.8	178.3	-175.9	-170.1	0	111.9	E482 E488 K489 D490 D608 Y615	E482-K486 WeakPolarHBondContact O-CB 3.47Å; E482-K486 PolarHBondContact O-N 3.38Å; K486-E488 PolarHBondContact O-N 3.36Å; K486-K489 PolarHBondContact O-N 2.96Å; K486-D490 HydrophobicContact CG-CB 4.36Å; K486-D490 WeakPolarHBondContact O-CA 3.44Å; K486-D490 WeakPolarHBondContact O-CB 3.43Å; K486-D490 PolarHBondContact O-N 2.77Å; K486-D608 VanDerWaalsContact CE-CG 3.44Å; K486-D608 VanDerWaalsContact CE-OD1 3.29Å; K486-D608 WeakPolarHBondContact CE-OD1 3.4Å; K486-D608 WeakPolarHBondContact CE-OD2 3.2Å; K486-D608 IonicContact NZ-OD1 2.65Å; K486-D608 PolarHBondContact NZ-OD1 3.35Å; K486-D608 IonicContact NZ-OD2 3.22Å; K486-D608 PolarHBondContact NZ-OD2 2.92Å; K486-Y615 PolarHBondContact NZ-OH 3.25Å; K486-Y615 VanDerWaalsContact NZ-OH 3.09Å
487	L	94.3	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-26.4	175.5	-76.2	173	0	0	0	114.5	F483 Q485 K518 K520 Y563	F483-L487 HydrophobicContact CD1-CD1 4.14Å; F483-L487 HydrophobicContact CD2-CD1 4.34Å; F483-L487 HydrophobicContact CE1-CD1 3.71Å; F483-L487 HydrophobicContact CE2-CD1 3.91Å; F483-L487 HydrophobicContact CE2-CG 4.32Å; F483-L487 HydrophobicContact CG-CD1 4.45Å; F483-L487 HydrophobicContact CZ-CD1 3.59Å; F483-L487 HydrophobicContact CZ-CG 4.47Å; F483-L487 WeakPolarHBondContact O-CG 3.31Å; F483-L487 PolarHBondContact O-N 3.26Å; Q485-L487 PolarHBondContact O-N 3.32Å; L487-K518 HydrophobicContact CD1-CB 4.23Å; L487-K518 HydrophobicContact CD1-CD 3.94Å; L487-K518 HydrophobicContact CD1-CG 4.02Å; L487-K518 HydrophobicContact CD2-CB 4.01Å; L487-K518 HydrophobicContact CD2-CG 4.23Å; L487-K518 WeakPolarHBondContact CD2-O 3.32Å; L487-K520 VanDerWaalsContact O-CD 3.31Å; L487-K520 WeakPolarHBondContact O-CD 3.21Å; L487-Y563 HydrophobicContact CB-CE1 4.14Å; L487-Y563 HydrophobicContact CD1-CD1 4.46Å
488	E	93.7	Very high	94.2	Very high	50 Å²	50	57.6 Å²	57.6	23%	0.234	26%	0.259	C	S	.	.	H	α-helix	trans	-84	-35.6	176.9	-74.4	-60.7	148.6	0	0	113.5	R484 Q485 K486 K520 R562 Y563	R484-E488 PolarHBondContact O-N 3.41Å; Q485-E488 PolarHBondContact O-N 3.2Å; Q485-E488 VanDerWaalsContact O-N 3.12Å; K486-E488 PolarHBondContact O-N 3.36Å; E488-K520 PolarHBondContact O-NZ 3.17Å; E488-K520 WeakPolarHBondContact OE2-CE 3.37Å; E488-K520 IonicContact OE2-NZ 2.64Å; E488-K520 PolarHBondContact OE2-NZ 3.45Å; E488-R562 IonicContact OE1-CZ 3.87Å; E488-R562 VanDerWaalsContact OE1-CZ 3.27Å; E488-R562 IonicContact OE1-NE 3.41Å; E488-R562 PolarHBondContact OE1-NE 3.35Å; E488-R562 IonicContact OE1-NH2 3.61Å; E488-R562 PolarHBondContact OE1-NH2 3.35Å; E488-R562 IonicContact OE2-NH2 3.93Å; E488-R562 PolarHBondContact OE2-NH2 2.97Å; E488-R562 VanDerWaalsContact OE2-NH2 3.11Å; E488-Y563 PolarHBondContact OE1-OH 3.11Å
489	K	94.1	Very high	94.3	Very high	145 Å²	145	54.3 Å²	54.3	63%	0.63	24%	0.235	S	C	*	.	H	α-helix	trans	-81.9	-51.6	-179.8	176.3	-173.8	161.9	-76.5	0	112.6	Q485 K486 Y491	Q485-K489 PolarHBondContact O-N 2.65Å; K486-K489 PolarHBondContact O-N 2.96Å; K489-Y491 WeakPolarHBondContact O-CD2 3.43Å; K489-Y491 VanDerWaalsContact O-CE2 3.24Å; K489-Y491 WeakPolarHBondContact O-CE2 3.19Å
490	D	94.8	Very high	94.4	Very high	44 Å²	44	49 Å²	49	24%	0.235	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-0	-166.2	-60.7	-49.4	0	0	0	113	K486 I492	K486-D490 HydrophobicContact CG-CB 4.36Å; K486-D490 WeakPolarHBondContact O-CA 3.44Å; K486-D490 WeakPolarHBondContact O-CB 3.43Å; K486-D490 PolarHBondContact O-N 2.77Å; D490-I492 WeakPolarHBondContact O-CG2 2.95Å; D490-I492 PolarHBondContact O-N 2.85Å
491	Y	95.5	Very high	94.3	Very high	68 Å²	68	43.2 Å²	43.2	27%	0.267	19%	0.193	S	C	.	.	S	Bend	trans	61.3	-13.3	175.4	-57.4	-96.1	0	0	0	116.6	K489 I519 K520 I522 Y606	K489-Y491 WeakPolarHBondContact O-CD2 3.43Å; K489-Y491 VanDerWaalsContact O-CE2 3.24Å; K489-Y491 WeakPolarHBondContact O-CE2 3.19Å; Y491-I519 CarbonylContact O-C 3.52Å; Y491-I519 WeakPolarHBondContact O-CA 3.23Å; Y491-K520 HydrophobicContact CD1-CB 4Å; Y491-K520 HydrophobicContact CD1-CD 3.66Å; Y491-K520 HydrophobicContact CD1-CG 3.96Å; Y491-K520 HydrophobicContact CE1-CD 3.89Å; Y491-K520 HydrophobicContact CE1-CG 4.47Å; Y491-K520 HydrophobicContact CG-CD 4.5Å; Y491-K520 PolarHBondContact O-N 3.03Å; Y491-I522 HydrophobicContact CD1-CD1 4.1Å; Y491-I522 HydrophobicContact CD1-CG2 3.65Å; Y491-I522 HydrophobicContact CE1-CG2 3.79Å; Y491-Y606 AromaticContact CD2-CD1 3.5Å; Y491-Y606 HydrophobicContact CD2-CD1 3.5Å; Y491-Y606 VanDerWaalsContact CD2-CD1 3.5Å; Y491-Y606 AromaticContact CD2-CE1 3.37Å; Y491-Y606 HydrophobicContact CD2-CE1 3.37Å; Y491-Y606 HydrophobicContact CD2-CG 4.33Å; Y491-Y606 HydrophobicContact CE2-CD1 4.3Å; Y491-Y606 AromaticContact CE2-CE1 3.79Å; Y491-Y606 HydrophobicContact CE2-CE1 3.79Å; Y491-Y606 AromaticContact CG-CD1 4Å; Y491-Y606 HydrophobicContact CG-CD1 4Å; Y491-Y606 AromaticContact CG-CE1 3.92Å; Y491-Y606 HydrophobicContact CG-CE1 3.92Å; Y491-Y606 HydrophobicContact CG-CG 4.42Å
492	I	97.5	Very high	93.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.6	174.9	176.4	160.7	0	0	0	110.3	D490 I517 I519 V528 I589 F591 D608	D490-I492 WeakPolarHBondContact O-CG2 2.95Å; D490-I492 PolarHBondContact O-N 2.85Å; I492-I517 HydrophobicContact CD1-CG2 3.71Å; I492-I517 HydrophobicContact CG1-CG2 3.83Å; I492-I519 HydrophobicContact CB-CG2 3.93Å; I492-I519 HydrophobicContact CD1-CG2 3.96Å; I492-I519 HydrophobicContact CG1-CG2 3.84Å; I492-V528 HydrophobicContact CD1-CG1 4.28Å; I492-I589 HydrophobicContact CD1-CB 4.21Å; I492-I589 HydrophobicContact CD1-CD1 3.69Å; I492-I589 HydrophobicContact CD1-CG1 3.66Å; I492-I589 HydrophobicContact CG1-CD1 3.65Å; I492-I589 HydrophobicContact CG1-CG1 3.95Å; I492-F591 HydrophobicContact CB-CB 3.95Å; I492-F591 HydrophobicContact CD1-CB 3.75Å; I492-F591 HydrophobicContact CG1-CB 4.41Å; I492-F591 HydrophobicContact CG2-CB 4.27Å; I492-D608 HydrophobicContact CG2-CB 4.13Å
493	S	97.4	Very high	92.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	144.5	161.7	-176.8	0	0	0	0	110.6	F483 E495 K518 D608	F483-S493 WeakPolarHBondContact CD2-OG 3.44Å; S493-E495 PolarHBondContact O-N 2.85Å; S493-K518 PolarHBondContact N-O 3.25Å; S493-K518 PolarHBondContact O-N 2.86Å; S493-D608 VanDerWaalsContact CA-OD2 3.29Å; S493-D608 WeakPolarHBondContact CA-OD2 3.4Å
494	L	97.7	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	138.4	159.3	-178.2	68.2	0	0	0	107.7	F473 P476 F483 I497 I517 F568 F587 I589 D608 Y615	F473-L494 HydrophobicContact CE2-CD2 3.96Å; F473-L494 HydrophobicContact CZ-CD2 4.27Å; P476-L494 WeakPolarHBondContact CB-O 3.19Å; P476-L494 HydrophobicContact CG-CB 4.14Å; P476-L494 HydrophobicContact CG-CD2 4.35Å; P476-L494 HydrophobicContact CG-CG 4.31Å; P476-L494 WeakPolarHBondContact CG-O 3.49Å; F483-L494 WeakPolarHBondContact CE2-O 3.48Å; L494-I497 HydrophobicContact CD2-CB 4.5Å; L494-I497 HydrophobicContact CD2-CG2 4.18Å; L494-I517 HydrophobicContact CD1-CG1 4.15Å; L494-F568 HydrophobicContact CD1-CE1 3.68Å; L494-F568 HydrophobicContact CD1-CZ 3.9Å; L494-F587 HydrophobicContact CD2-CE2 4.25Å; L494-F587 HydrophobicContact CD2-CZ 4.05Å; L494-I589 HydrophobicContact CB-CD1 3.98Å; L494-D608 PolarHBondContact N-OD2 3.04Å; L494-D608 VanDerWaalsContact N-OD2 3.07Å; L494-Y615 HydrophobicContact CB-CE1 4.46Å; L494-Y615 HydrophobicContact CB-CE2 3.76Å; L494-Y615 HydrophobicContact CD2-CD1 3.91Å; L494-Y615 HydrophobicContact CD2-CD2 4.13Å; L494-Y615 HydrophobicContact CD2-CE1 3.82Å; L494-Y615 HydrophobicContact CD2-CE2 4.04Å; L494-Y615 HydrophobicContact CD2-CG 4.07Å
495	E	95.7	Very high	91	Very high	28 Å²	28	37.6 Å²	37.6	13%	0.131	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-55.3	179.3	174.3	179.2	-145.8	0	0	110.5	A477 F483 S493 T516 K518	A477-E495 HydrophobicContact CB-CG 3.89Å; A477-E495 WeakPolarHBondContact CB-O 3.43Å; A477-E495 PolarHBondContact N-O 2.75Å; A477-E495 VanDerWaalsContact N-O 3.1Å; F483-E495 HydrophobicContact CE2-CB 3.98Å; F483-E495 HydrophobicContact CE2-CG 4.38Å; F483-E495 HydrophobicContact CZ-CB 3.83Å; F483-E495 HydrophobicContact CZ-CG 3.84Å; S493-E495 PolarHBondContact O-N 2.85Å; E495-T516 WeakPolarHBondContact CB-O 3.28Å; E495-T516 WeakPolarHBondContact CB-OG1 3.23Å; E495-T516 PolarHBondContact N-O 2.78Å; E495-T516 WeakPolarHBondContact OE2-CB 3.46Å; E495-T516 PolarHBondContact OE2-OG1 3.02Å; E495-K518 HydrophobicContact CB-CB 4.49Å; E495-K518 VanDerWaalsContact OE1-CE 3.28Å; E495-K518 WeakPolarHBondContact OE1-CE 3.4Å; E495-K518 IonicContact OE1-NZ 3.5Å; E495-K518 PolarHBondContact OE1-NZ 3.32Å; E495-K518 WeakPolarHBondContact OE2-CE 3.32Å; E495-K518 IonicContact OE2-NZ 2.8Å
496	N	94.6	Very high	90.2	Very high	55 Å²	55	34.1 Å²	34.1	29%	0.294	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160	173.8	63.4	66.1	0	0	0	111.8	G515 T516	N496-G515 WeakPolarHBondContact O-CA 3.26Å; N496-T516 PolarHBondContact N-O 2.65Å; N496-T516 PolarHBondContact ND2-OG1 2.8Å; N496-T516 PolarHBondContact O-N 3.13Å; N496-T516 PolarHBondContact OD1-N 3.34Å
497	I	96.8	Very high	89.6	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	138.3	172.6	-175.8	170.3	0	0	0	110.8	L471 F473 Q475 L494 L513 K514 F568 F587 I617	L471-I497 HydrophobicContact CD1-CG2 3.76Å; L471-I497 HydrophobicContact CD2-CG2 3.77Å; L471-I497 HydrophobicContact CG-CG2 4.44Å; F473-I497 HydrophobicContact CE2-CG2 3.89Å; F473-I497 HydrophobicContact CZ-CG2 3.92Å; Q475-I497 PolarHBondContact NE2-O 2.81Å; Q475-I497 PolarHBondContact OE1-O 2.9Å; L494-I497 HydrophobicContact CD2-CB 4.5Å; L494-I497 HydrophobicContact CD2-CG2 4.18Å; I497-L513 HydrophobicContact CD1-CB 4.38Å; I497-L513 HydrophobicContact CD1-CD1 4.36Å; I497-L513 HydrophobicContact CD1-CD2 4.49Å; I497-K514 CarbonylContact C-O 3.59Å; I497-K514 WeakPolarHBondContact CA-O 3.29Å; I497-F568 HydrophobicContact CB-CZ 4.21Å; I497-F568 HydrophobicContact CD1-CE2 4.04Å; I497-F568 HydrophobicContact CD1-CZ 3.99Å; I497-F568 HydrophobicContact CG1-CE2 4.19Å; I497-F568 HydrophobicContact CG1-CZ 3.99Å; I497-F587 HydrophobicContact CD1-CE1 3.92Å; I497-F587 HydrophobicContact CD1-CZ 3.7Å; I497-I617 HydrophobicContact CD1-CD1 4.22Å
498	S	94.5	Very high	89.1	Confident	15 Å²	15	36.3 Å²	36.3	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.1	166.5	66.4	0	0	0	0	110.8	K514	S498-K514 PolarHBondContact N-O 3.36Å; S498-K514 PolarHBondContact O-N 2.99Å
499	I	94.8	Very high	88.8	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.056	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.6	176.2	-52.9	167.4	0	0	0	106.9	W469 L471 I511 L513 I617	W469-I499 HydrophobicContact CB-CD1 4.39Å; W469-I499 HydrophobicContact CB-CG2 3.98Å; L471-I499 HydrophobicContact CD2-CD1 3.87Å; L471-I499 HydrophobicContact CD2-CG1 4.17Å; L471-I499 HydrophobicContact CG-CD1 4.18Å; I499-I511 HydrophobicContact CG2-CD1 4.49Å; I499-L513 HydrophobicContact CB-CD2 4.42Å; I499-L513 HydrophobicContact CG1-CD2 3.97Å; I499-L513 HydrophobicContact CG2-CD2 4.25Å; I499-I617 HydrophobicContact CD1-CG2 3.53Å; I499-I617 HydrophobicContact CG1-CG2 4.44Å
500	I	91.8	Very high	88.6	Confident	13 Å²	13	31.6 Å²	31.6	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.4	173.6	-60.9	168.3	0	0	0	106.8	K512 E679	I500-K512 HydrophobicContact CB-CB 4.08Å; I500-K512 HydrophobicContact CB-CD 4.33Å; I500-K512 HydrophobicContact CB-CG 4.33Å; I500-K512 HydrophobicContact CD1-CD 4.11Å; I500-K512 HydrophobicContact CD1-CG 4.38Å; I500-K512 HydrophobicContact CG2-CD 4.29Å; I500-K512 PolarHBondContact N-O 2.99Å; I500-K512 PolarHBondContact O-N 3.35Å; I500-E679 HydrophobicContact CG2-CG 3.62Å
501	Q	88.5	Confident	88.6	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.9	178.3	63.6	159.7	83.7	0	0	110.8	T508 I511	Q501-T508 HydrophobicContact CB-CG2 4.34Å; Q501-I511 HydrophobicContact CB-CG2 3.99Å
502	S	80.4	Confident	88.6	Confident	44 Å²	44	29.2 Å²	29.2	31%	0.308	16%	0.158	S	C	.	.			trans	-72.9	145.2	162.7	-177.4	0	0	0	0	110.4	N504	S502-N504 PolarHBondContact OG-N 2.8Å
503	T	75.4	Confident	88.5	Confident	9 Å²	9	29.3 Å²	29.3	6%	0.055	16%	0.158	C	C	.	.			trans	-119.3	17.4	171.6	54.9	0	0	0	0	111.4	H466 H505 Y680	H466-T503 PolarHBondContact CE1-O 2.95Å; H466-T503 PolarHBondContact NE2-O 2.88Å; T503-H505 VanDerWaalsContact C-N 3.34Å; T503-Y680 HydrophobicContact CG2-CD2 4.3Å; T503-Y680 WeakPolarHBondContact OG1-CD2 3.39Å; T503-Y680 WeakPolarHBondContact OG1-CE2 3.21Å
504	N	72	Confident	88.5	Confident	60 Å²	60	34.2 Å²	34.2	32%	0.321	18%	0.18	S	C	.	.	S	Bend	trans	-83.5	-12.6	179.9	-62.3	-3.1	0	0	0	112.4	S502	S502-N504 PolarHBondContact OG-N 2.8Å
505	H	74	Confident	88.5	Confident	111 Å²	111	34.4 Å²	34.4	51%	0.514	18%	0.182	S	C	.	.	S	Bend	trans	-135.2	142.2	-176.5	-67.5	-24.7	0	0	0	111.4	H466 T503 Y507	H466-H505 VanDerWaalsContact CE1-C 3.43Å; H466-H505 PolarHBondContact CE1-O 2.89Å; H466-H505 PolarHBondContact NE2-O 2.86Å; T503-H505 VanDerWaalsContact C-N 3.34Å; H505-Y507 PolarHBondContact O-N 3.16Å
506	P	76.9	Confident	88.5	Confident	28 Å²	28	33.7 Å²	33.7	18%	0.182	18%	0.179	C	C	.	.	S	Bend	trans	-64.6	-23	-173.2	24	-32.6	0	0	0	114.2	E464 H466 Y467	E464-P506 VanDerWaalsContact CD-CG 3.42Å; E464-P506 HydrophobicContact CG-CB 3.97Å; E464-P506 HydrophobicContact CG-CG 3.92Å; E464-P506 WeakPolarHBondContact OE1-CG 3.36Å; H466-P506 WeakPolarHBondContact CA-O 3.46Å; Y467-P506 PolarHBondContact N-O 3.15Å
507	Y	81.4	Confident	88.6	Confident	66 Å²	66	31 Å²	31	26%	0.259	17%	0.165	S	C	.	.	S	Bend	trans	-121.6	140	172	-51.8	-83.6	0	0	0	109.1	E464 Y467 H505 P581	E464-Y507 HydrophobicContact CG-CE2 4.49Å; Y467-Y507 HydrophobicContact CD2-CD1 4.02Å; Y467-Y507 AromaticContact CD2-CE1 3.81Å; Y467-Y507 HydrophobicContact CD2-CE1 3.81Å; Y467-Y507 HydrophobicContact CE2-CD1 4.44Å; Y467-Y507 AromaticContact CE2-CE1 3.79Å; Y467-Y507 HydrophobicContact CE2-CE1 3.79Å; H505-Y507 PolarHBondContact O-N 3.16Å; Y507-P581 HydrophobicContact CD1-CG 4.39Å; Y507-P581 HydrophobicContact CE1-CG 3.99Å
508	T	83.5	Confident	88.6	Confident	6 Å²	6	31.9 Å²	31.9	4%	0.037	17%	0.168	C	C	.	.			trans	-90.2	139.9	177.6	51	0	0	0	0	110.4	W469 Q501 Y578 F579	W469-T508 PolarHBondContact NE1-OG1 3.5Å; Q501-T508 HydrophobicContact CB-CG2 4.34Å; T508-Y578 WeakPolarHBondContact O-CA 3.31Å; T508-F579 WeakPolarHBondContact O-CD2 3.42Å; T508-F579 PolarHBondContact O-N 3.34Å
509	S	87.2	Confident	88.7	Confident	60 Å²	60	31.1 Å²	31.1	42%	0.42	16%	0.163	S	C	.	.	S	Bend	trans	-93.9	-27	170.8	51	0	0	0	0	112.4	S574 K577	S509-S574 PolarHBondContact O-N 2.9Å; S509-K577 WeakPolarHBondContact CB-O 3.49Å
510	S	91	Very high	88.7	Confident	36 Å²	36	32.4 Å²	32.4	25%	0.252	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155	178.6	66.8	0	0	0	0	112.5	H571 I572	S510-H571 VanDerWaalsContact CB-CE1 3.44Å; S510-H571 WeakPolarHBondContact CB-CE1 3.28Å; S510-H571 PolarHBondContact OG-CE1 3.31Å; S510-I572 CarbonylContact C-O 3.59Å; S510-I572 VanDerWaalsContact CA-O 3.23Å; S510-I572 WeakPolarHBondContact CA-O 3.48Å
511	I	93.7	Very high	88.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	165.5	169.6	67	171.4	0	0	0	111.3	W469 I499 Q501 L513 H571 I572 I585	W469-I511 HydrophobicContact CB-CG2 4.49Å; W469-I511 HydrophobicContact CD2-CD1 4.19Å; W469-I511 HydrophobicContact CG-CD1 4.22Å; W469-I511 HydrophobicContact CG-CG2 3.89Å; I499-I511 HydrophobicContact CG2-CD1 4.49Å; Q501-I511 HydrophobicContact CB-CG2 3.99Å; I511-L513 HydrophobicContact CD1-CD2 3.88Å; I511-L513 HydrophobicContact CD1-CG 4.41Å; I511-H571 PolarHBondContact O-ND1 3.24Å; I511-I572 HydrophobicContact CD1-CD1 4.47Å; I511-I572 HydrophobicContact CG1-CB 4.02Å; I511-I572 HydrophobicContact CG1-CD1 4.4Å; I511-I572 PolarHBondContact N-O 3.13Å; I511-I572 PolarHBondContact O-N 3.21Å; I511-I585 HydrophobicContact CD1-CD1 3.54Å; I511-I585 HydrophobicContact CG1-CD1 4.28Å
512	K	95.2	Very high	88.8	Confident	61 Å²	61	37.5 Å²	37.5	27%	0.265	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.3	178.2	171.4	-177.4	175	-174.6	0	108.8	I500 N569 I570 E679	I500-K512 HydrophobicContact CB-CB 4.08Å; I500-K512 HydrophobicContact CB-CD 4.33Å; I500-K512 HydrophobicContact CB-CG 4.33Å; I500-K512 HydrophobicContact CD1-CD 4.11Å; I500-K512 HydrophobicContact CD1-CG 4.38Å; I500-K512 HydrophobicContact CG2-CD 4.29Å; I500-K512 PolarHBondContact N-O 2.99Å; I500-K512 PolarHBondContact O-N 3.35Å; K512-N569 VanDerWaalsContact CE-OD1 3.28Å; K512-N569 WeakPolarHBondContact CE-OD1 3.31Å; K512-I570 CarbonylContact C-O 3.52Å; K512-I570 VanDerWaalsContact CA-O 3.31Å; K512-I570 WeakPolarHBondContact CA-O 3.44Å; K512-E679 IonicContact NZ-OE1 3.59Å; K512-E679 PolarHBondContact NZ-OE1 3.46Å
513	L	96.9	Very high	89.3	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	177.4	-57.3	-175.6	0	0	0	109.5	I497 I499 I511 L532 F568 N569 I570 I572 I617	I497-L513 HydrophobicContact CD1-CB 4.38Å; I497-L513 HydrophobicContact CD1-CD1 4.36Å; I497-L513 HydrophobicContact CD1-CD2 4.49Å; I499-L513 HydrophobicContact CB-CD2 4.42Å; I499-L513 HydrophobicContact CG1-CD2 3.97Å; I499-L513 HydrophobicContact CG2-CD2 4.25Å; I511-L513 HydrophobicContact CD1-CD2 3.88Å; I511-L513 HydrophobicContact CD1-CG 4.41Å; L513-L532 HydrophobicContact CD1-CD1 4.09Å; L513-F568 HydrophobicContact CB-CE2 4.34Å; L513-N569 CarbonylContact O-C 3.59Å; L513-N569 VanDerWaalsContact O-CA 3.32Å; L513-N569 WeakPolarHBondContact O-CA 2.97Å; L513-I570 HydrophobicContact CB-CB 4.46Å; L513-I570 PolarHBondContact N-O 3.27Å; L513-I570 PolarHBondContact O-N 3.17Å; L513-I572 HydrophobicContact CD1-CD1 3.54Å; L513-I572 HydrophobicContact CG-CD1 3.89Å; L513-I617 HydrophobicContact CD1-CD1 3.6Å; L513-I617 HydrophobicContact CD2-CD1 3.54Å; L513-I617 HydrophobicContact CG-CD1 4.24Å
514	K	96.8	Very high	90	Very high	104 Å²	104	46.3 Å²	46.3	45%	0.452	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141	177.3	-179	-178.5	176.6	-176.7	0	109.4	I497 S498 F568	I497-K514 CarbonylContact C-O 3.59Å; I497-K514 WeakPolarHBondContact CA-O 3.29Å; S498-K514 PolarHBondContact N-O 3.36Å; S498-K514 PolarHBondContact O-N 2.99Å; K514-F568 WeakPolarHBondContact CA-O 3.5Å
515	G	96.6	Very high	91	Very high	4 Å²	4	46.8 Å²	46.8	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	179	177.5	0	0	0	0	0	114.4	N496 I567 F568	N496-G515 WeakPolarHBondContact O-CA 3.26Å; G515-I567 WeakPolarHBondContact O-CA 3.3Å; G515-F568 VanDerWaalsContact C-CE1 3.42Å; G515-F568 PolarHBondContact N-O 2.86Å; G515-F568 VanDerWaalsContact N-O 3.13Å; G515-F568 WeakPolarHBondContact O-CD1 3.39Å; G515-F568 PolarHBondContact O-N 2.98Å; G515-F568 VanDerWaalsContact O-N 3.08Å
516	T	96.7	Very high	92	Very high	12 Å²	12	43.2 Å²	43.2	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.3	172	62	0	0	0	0	111.8	E495 N496 L551 T565 F566 I567	E495-T516 WeakPolarHBondContact CB-O 3.28Å; E495-T516 WeakPolarHBondContact CB-OG1 3.23Å; E495-T516 PolarHBondContact N-O 2.78Å; E495-T516 WeakPolarHBondContact OE2-CB 3.46Å; E495-T516 PolarHBondContact OE2-OG1 3.02Å; N496-T516 PolarHBondContact N-O 2.65Å; N496-T516 PolarHBondContact ND2-OG1 2.8Å; N496-T516 PolarHBondContact O-N 3.13Å; N496-T516 PolarHBondContact OD1-N 3.34Å; T516-L551 HydrophobicContact CG2-CD1 3.97Å; T516-T565 HydrophobicContact CG2-CG2 4.02Å; T516-F566 CarbonylContact C-O 3.47Å; T516-F566 VanDerWaalsContact CA-O 3.27Å; T516-F566 WeakPolarHBondContact CA-O 3.29Å; T516-I567 HydrophobicContact CG2-CG1 4Å
517	I	97.6	Very high	92.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.3	169.8	-67.5	169.3	0	0	0	106.7	I492 L494 I519 V528 L530 A545 T565 F566 F568 I589	I492-I517 HydrophobicContact CD1-CG2 3.71Å; I492-I517 HydrophobicContact CG1-CG2 3.83Å; L494-I517 HydrophobicContact CD1-CG1 4.15Å; I517-I519 HydrophobicContact CG2-CG2 4.05Å; I517-V528 HydrophobicContact CB-CG1 4.49Å; I517-V528 HydrophobicContact CD1-CG1 4.06Å; I517-V528 HydrophobicContact CG2-CG1 3.96Å; I517-L530 HydrophobicContact CD1-CD1 3.7Å; I517-L530 HydrophobicContact CD1-CD2 4.18Å; I517-L530 HydrophobicContact CD1-CG 3.85Å; I517-A545 HydrophobicContact CD1-CB 4.41Å; I517-T565 WeakPolarHBondContact O-CA 3.31Å; I517-F566 HydrophobicContact CB-CB 4.45Å; I517-F566 PolarHBondContact N-O 3.44Å; I517-F566 PolarHBondContact O-N 3.47Å; I517-F568 HydrophobicContact CD1-CD1 3.94Å; I517-F568 HydrophobicContact CD1-CE1 4.28Å; I517-F568 HydrophobicContact CG1-CD1 3.99Å; I517-F568 HydrophobicContact CG1-CE1 3.99Å; I517-I589 HydrophobicContact CB-CD1 4.48Å; I517-I589 HydrophobicContact CD1-CB 4.14Å; I517-I589 HydrophobicContact CD1-CD1 4.03Å; I517-I589 HydrophobicContact CD1-CG2 4Å; I517-I589 HydrophobicContact CG1-CD1 3.89Å; I517-I589 HydrophobicContact CG2-CD1 3.86Å
518	K	96.3	Very high	93.7	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.078	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.8	175	-164.4	160.4	-64.4	175	0	109.6	F483 L487 S493 E495 Y554 Y563	F483-K518 HydrophobicContact CE1-CD 4.44Å; F483-K518 HydrophobicContact CZ-CB 4.07Å; F483-K518 HydrophobicContact CZ-CD 4.09Å; L487-K518 HydrophobicContact CD1-CB 4.23Å; L487-K518 HydrophobicContact CD1-CD 3.94Å; L487-K518 HydrophobicContact CD1-CG 4.02Å; L487-K518 HydrophobicContact CD2-CB 4.01Å; L487-K518 HydrophobicContact CD2-CG 4.23Å; L487-K518 WeakPolarHBondContact CD2-O 3.32Å; S493-K518 PolarHBondContact N-O 3.25Å; S493-K518 PolarHBondContact O-N 2.86Å; E495-K518 HydrophobicContact CB-CB 4.49Å; E495-K518 VanDerWaalsContact OE1-CE 3.28Å; E495-K518 WeakPolarHBondContact OE1-CE 3.4Å; E495-K518 IonicContact OE1-NZ 3.5Å; E495-K518 PolarHBondContact OE1-NZ 3.32Å; E495-K518 WeakPolarHBondContact OE2-CE 3.32Å; E495-K518 IonicContact OE2-NZ 2.8Å; K518-Y554 WeakPolarHBondContact CE-OH 3.48Å; K518-Y554 PolarHBondContact NZ-OH 3.47Å; K518-Y563 HydrophobicContact CD-CG 4.42Å; K518-Y563 HydrophobicContact CG-CG 4.37Å
519	I	96.1	Very high	94.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.2	178.8	65.7	174.9	0	0	0	111.2	Y491 I492 I517 K526 V528 Y563 D564 F566 F591	Y491-I519 CarbonylContact O-C 3.52Å; Y491-I519 WeakPolarHBondContact O-CA 3.23Å; I492-I519 HydrophobicContact CB-CG2 3.93Å; I492-I519 HydrophobicContact CD1-CG2 3.96Å; I492-I519 HydrophobicContact CG1-CG2 3.84Å; I517-I519 HydrophobicContact CG2-CG2 4.05Å; I519-K526 HydrophobicContact CD1-CB 4.44Å; I519-K526 HydrophobicContact CD1-CD 3.42Å; I519-K526 VanDerWaalsContact CD1-CD 3.42Å; I519-K526 HydrophobicContact CG1-CD 4.48Å; I519-V528 HydrophobicContact CD1-CG2 3.76Å; I519-V528 HydrophobicContact CG2-CG2 4.28Å; I519-Y563 CarbonylContact O-C 3.57Å; I519-Y563 WeakPolarHBondContact O-CA 3.13Å; I519-Y563 WeakPolarHBondContact O-CB 3.32Å; I519-D564 HydrophobicContact CG1-CB 4.11Å; I519-D564 PolarHBondContact N-O 2.9Å; I519-D564 PolarHBondContact O-N 3.34Å; I519-F566 HydrophobicContact CD1-CD2 3.93Å; I519-F566 HydrophobicContact CD1-CE2 3.41Å; I519-F566 VanDerWaalsContact CD1-CE2 3.41Å; I519-F566 HydrophobicContact CD1-CZ 4.04Å; I519-F566 HydrophobicContact CG1-CD2 4.18Å; I519-F566 HydrophobicContact CG1-CE2 3.99Å; I519-F591 HydrophobicContact CB-CD1 4.16Å; I519-F591 HydrophobicContact CB-CG 4.37Å; I519-F591 HydrophobicContact CD1-CD1 4.45Å; I519-F591 HydrophobicContact CD1-CD2 3.89Å; I519-F591 HydrophobicContact CD1-CE1 4.46Å; I519-F591 HydrophobicContact CD1-CE2 3.95Å; I519-F591 HydrophobicContact CD1-CG 4.19Å; I519-F591 HydrophobicContact CD1-CZ 4.23Å; I519-F591 HydrophobicContact CG2-CB 4.06Å; I519-F591 HydrophobicContact CG2-CD1 4.33Å; I519-F591 HydrophobicContact CG2-CG 4.15Å
520	K	94.4	Very high	94.9	Very high	38 Å²	38	39.8 Å²	39.8	17%	0.165	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124	175.2	-177.7	165	158.7	177.1	0	109.1	L487 E488 Y491 I522 Y563	L487-K520 VanDerWaalsContact O-CD 3.31Å; L487-K520 WeakPolarHBondContact O-CD 3.21Å; E488-K520 PolarHBondContact O-NZ 3.17Å; E488-K520 WeakPolarHBondContact OE2-CE 3.37Å; E488-K520 IonicContact OE2-NZ 2.64Å; E488-K520 PolarHBondContact OE2-NZ 3.45Å; Y491-K520 HydrophobicContact CD1-CB 4Å; Y491-K520 HydrophobicContact CD1-CD 3.66Å; Y491-K520 HydrophobicContact CD1-CG 3.96Å; Y491-K520 HydrophobicContact CE1-CD 3.89Å; Y491-K520 HydrophobicContact CE1-CG 4.47Å; Y491-K520 HydrophobicContact CG-CD 4.5Å; Y491-K520 PolarHBondContact O-N 3.03Å; K520-I522 HydrophobicContact CG-CG2 4.08Å; K520-I522 PolarHBondContact O-N 3.43Å; K520-Y563 HydrophobicContact CB-CD1 4.21Å; K520-Y563 HydrophobicContact CB-CE1 4.31Å; K520-Y563 HydrophobicContact CG-CE1 4.45Å
521	N	92	Very high	95.2	Very high	57 Å²	57	40.9 Å²	40.9	31%	0.305	19%	0.186	S	C	.	.			trans	-79.1	90.8	-171.6	-179.5	22	0	0	0	110.9	C523 K526 K561 R562	N521-C523 PolarHBondContact OD1-O 2.89Å; N521-K526 VanDerWaalsContact OD1-CE 3.22Å; N521-K526 WeakPolarHBondContact OD1-CE 3.37Å; N521-K526 PolarHBondContact OD1-NZ 2.95Å; N521-K561 VanDerWaalsContact CB-O 3.24Å; N521-K561 WeakPolarHBondContact CB-O 3.3Å; N521-K561 PolarHBondContact ND2-O 3.35Å; N521-R562 PolarHBondContact N-O 3.43Å
522	I	91.6	Very high	95.4	Very high	70 Å²	70	41.1 Å²	41.1	36%	0.359	19%	0.187	S	C	.	.			trans	-105	-18.5	-175.3	60	178.1	0	0	0	114.8	Y491 K520 F591 A593 Y606	Y491-I522 HydrophobicContact CD1-CD1 4.1Å; Y491-I522 HydrophobicContact CD1-CG2 3.65Å; Y491-I522 HydrophobicContact CE1-CG2 3.79Å; K520-I522 HydrophobicContact CG-CG2 4.08Å; K520-I522 PolarHBondContact O-N 3.43Å; I522-F591 HydrophobicContact CD1-CE1 3.74Å; I522-F591 HydrophobicContact CD1-CZ 4.05Å; I522-F591 HydrophobicContact CG1-CE1 3.86Å; I522-F591 HydrophobicContact CG1-CZ 3.84Å; I522-A593 HydrophobicContact CD1-CB 4.18Å; I522-Y606 HydrophobicContact CD1-CD2 4.43Å; I522-Y606 HydrophobicContact CD1-CE2 3.54Å
523	C	90.4	Very high	95.4	Very high	19 Å²	19	38.3 Å²	38.3	13%	0.128	18%	0.175	C	C	.	.			trans	-148.1	167	-175.9	58.4	0	0	0	0	109.7	N521 E525 K526 A593	N521-C523 PolarHBondContact OD1-O 2.89Å; C523-E525 PolarHBondContact SG-O 3.34Å; C523-K526 WeakPolarHBondContact O-CE 3.46Å; C523-K526 PolarHBondContact O-NZ 3.37Å; C523-A593 VanDerWaalsContact SG-CB 3.59Å
524	Y	90.8	Very high	95.3	Very high	219 Å²	219	40.8 Å²	40.8	86%	0.859	19%	0.186	S	C	*	.	S	Bend	trans	-77.8	-49	173.8	-176.9	-101.6	0	0	0	111.7
525	E	92.9	Very high	95	Very high	71 Å²	71	37.9 Å²	37.9	33%	0.332	18%	0.175	S	C	.	.			trans	-86.3	118.8	-175.9	-68.2	-167	179.9	0	0	112.5	C523 L594 H596	C523-E525 PolarHBondContact SG-O 3.34Å; E525-L594 HydrophobicContact CB-CB 3.88Å; E525-L594 HydrophobicContact CB-CD1 4.39Å; E525-L594 PolarHBondContact O-N 3.16Å; E525-H596 IonicContact OE1-CD2 3.64Å; E525-H596 IonicContact OE1-CE1 3.01Å; E525-H596 IonicContact OE1-NE2 3.35Å; E525-H596 PolarHBondContact OE1-NE2 2.9Å; E525-H596 IonicContact OE2-CD2 3.62Å; E525-H596 IonicContact OE2-CE1 3.84Å; E525-H596 IonicContact OE2-NE2 2.79Å; E525-H596 PolarHBondContact OE2-NE2 3.15Å
526	K	94.3	Very high	94.8	Very high	35 Å²	35	40.6 Å²	40.6	15%	0.152	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.4	-171.9	-49.3	-165	-176.1	78.1	0	110.2	I519 N521 C523 D564 F566 F591 T592	I519-K526 HydrophobicContact CD1-CB 4.44Å; I519-K526 HydrophobicContact CD1-CD 3.42Å; I519-K526 VanDerWaalsContact CD1-CD 3.42Å; I519-K526 HydrophobicContact CG1-CD 4.48Å; N521-K526 VanDerWaalsContact OD1-CE 3.22Å; N521-K526 WeakPolarHBondContact OD1-CE 3.37Å; N521-K526 PolarHBondContact OD1-NZ 2.95Å; C523-K526 WeakPolarHBondContact O-CE 3.46Å; C523-K526 PolarHBondContact O-NZ 3.37Å; K526-D564 VanDerWaalsContact CE-OD2 3.26Å; K526-D564 WeakPolarHBondContact CE-OD2 3.02Å; K526-D564 IonicContact NZ-OD2 3.26Å; K526-D564 PolarHBondContact NZ-OD2 3.45Å; K526-F566 HydrophobicContact CB-CZ 4.17Å; K526-F566 HydrophobicContact CD-CZ 4.49Å; K526-F591 HydrophobicContact CB-CD2 4.37Å; K526-F591 HydrophobicContact CB-CE2 3.74Å; K526-F591 HydrophobicContact CD-CE2 3.85Å; K526-F591 HydrophobicContact CD-CZ 4.06Å; K526-F591 HydrophobicContact CG-CE2 3.78Å; K526-F591 HydrophobicContact CG-CZ 4.28Å; K526-T592 WeakPolarHBondContact CA-O 3.48Å
527	L	96.3	Very high	94.6	Very high	73 Å²	73	41.2 Å²	41.2	38%	0.382	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	163.6	-56.3	171.4	0	0	0	107.9	T592 L594	L527-T592 PolarHBondContact N-O 2.95Å; L527-T592 PolarHBondContact O-N 3.33Å; L527-L594 HydrophobicContact CD1-CD1 4.21Å; L527-L594 HydrophobicContact CG-CD1 4.39Å
528	V	97.7	Very high	94.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	177.4	-177.9	0	0	0	0	107.6	I492 I517 I519 Q544 A545 F566 C590 F591	I492-V528 HydrophobicContact CD1-CG1 4.28Å; I517-V528 HydrophobicContact CB-CG1 4.49Å; I517-V528 HydrophobicContact CD1-CG1 4.06Å; I517-V528 HydrophobicContact CG2-CG1 3.96Å; I519-V528 HydrophobicContact CD1-CG2 3.76Å; I519-V528 HydrophobicContact CG2-CG2 4.28Å; V528-Q544 PolarHBondContact O-NE2 3.5Å; V528-A545 HydrophobicContact CB-CB 4.24Å; V528-A545 HydrophobicContact CG1-CB 4.01Å; V528-A545 PolarHBondContact O-N 3.11Å; V528-F566 HydrophobicContact CB-CD1 3.72Å; V528-F566 HydrophobicContact CB-CE1 4.06Å; V528-F566 HydrophobicContact CB-CG 4.11Å; V528-F566 HydrophobicContact CG1-CB 4.4Å; V528-F566 HydrophobicContact CG1-CD1 4.45Å; V528-F566 HydrophobicContact CG1-CG 4.42Å; V528-F566 HydrophobicContact CG2-CD1 3.67Å; V528-F566 HydrophobicContact CG2-CD2 4.07Å; V528-F566 HydrophobicContact CG2-CE1 3.65Å; V528-F566 HydrophobicContact CG2-CE2 4.09Å; V528-F566 HydrophobicContact CG2-CG 3.9Å; V528-F566 HydrophobicContact CG2-CZ 3.88Å; V528-C590 VanDerWaalsContact CA-O 3.32Å; V528-C590 WeakPolarHBondContact CA-O 3.45Å; V528-F591 HydrophobicContact CG2-CD2 4.21Å
529	F	97.8	Very high	94.2	Very high	14 Å²	14	52.4 Å²	52.4	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.5	179.8	65.7	-87.3	0	0	0	112.2	R531 D542 Y543 I589 C590 W607	F529-R531 HydrophobicContact CE2-CB 4.41Å; F529-D542 HydrophobicContact CD2-CB 3.79Å; F529-D542 HydrophobicContact CE2-CB 4.21Å; F529-Y543 CarbonylContact C-O 3.51Å; F529-Y543 VanDerWaalsContact CA-O 3.23Å; F529-Y543 WeakPolarHBondContact CA-O 3.43Å; F529-Y543 WeakPolarHBondContact CB-O 3.12Å; F529-I589 WeakPolarHBondContact O-CA 3.19Å; F529-C590 HydrophobicContact CD1-CB 3.98Å; F529-C590 HydrophobicContact CD2-CB 4.28Å; F529-C590 HydrophobicContact CE1-CB 3.48Å; F529-C590 VanDerWaalsContact CE1-CB 3.48Å; F529-C590 VanDerWaalsContact CE1-SG 3.59Å; F529-C590 HydrophobicContact CE2-CB 3.82Å; F529-C590 HydrophobicContact CG-CB 4.35Å; F529-C590 HydrophobicContact CZ-CB 3.39Å; F529-C590 PolarHBondContact N-O 3.04Å; F529-C590 PolarHBondContact O-N 3.47Å; F529-W607 AromaticContact CE2-CH2 3.75Å; F529-W607 HydrophobicContact CE2-CH2 3.75Å; F529-W607 HydrophobicContact CE2-CZ2 4.29Å; F529-W607 AromaticContact CZ-CH2 3.92Å; F529-W607 HydrophobicContact CZ-CH2 3.92Å; F529-W607 AromaticContact CZ-CZ2 3.99Å; F529-W607 HydrophobicContact CZ-CZ2 3.99Å
530	L	97.8	Very high	94.3	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.1	175	-59.5	88.5	0	0	0	108.3	I517 Y543 A545 F568 I570 F587 A588 I589	I517-L530 HydrophobicContact CD1-CD1 3.7Å; I517-L530 HydrophobicContact CD1-CD2 4.18Å; I517-L530 HydrophobicContact CD1-CG 3.85Å; L530-Y543 PolarHBondContact N-O 3.02Å; L530-Y543 PolarHBondContact O-N 3.45Å; L530-A545 HydrophobicContact CD1-CB 4.15Å; L530-F568 HydrophobicContact CD1-CB 3.47Å; L530-F568 VanDerWaalsContact CD1-CB 3.47Å; L530-F568 HydrophobicContact CD1-CD1 3.94Å; L530-F568 HydrophobicContact CD1-CD2 4.32Å; L530-F568 HydrophobicContact CD1-CG 3.66Å; L530-F568 HydrophobicContact CD2-CB 4.43Å; L530-F568 HydrophobicContact CD2-CD1 3.81Å; L530-F568 HydrophobicContact CD2-CD2 3.73Å; L530-F568 HydrophobicContact CD2-CE1 3.91Å; L530-F568 HydrophobicContact CD2-CE2 3.83Å; L530-F568 HydrophobicContact CD2-CG 3.72Å; L530-F568 HydrophobicContact CD2-CZ 3.91Å; L530-F568 HydrophobicContact CG-CD1 4.49Å; L530-F568 HydrophobicContact CG-CG 4.38Å; L530-I570 HydrophobicContact CB-CD1 4.15Å; L530-I570 HydrophobicContact CD1-CD1 4.29Å; L530-I570 HydrophobicContact CD2-CD1 4.09Å; L530-I570 HydrophobicContact CG-CD1 4.41Å; L530-F587 HydrophobicContact CD2-CD2 4.04Å; L530-F587 HydrophobicContact CD2-CE2 4.01Å; L530-A588 CarbonylContact C-O 3.53Å; L530-I589 HydrophobicContact CB-CG2 4.22Å; L530-I589 HydrophobicContact CD2-CG2 3.83Å; L530-I589 HydrophobicContact CG-CG2 3.66Å
531	R	97.9	Very high	94.4	Very high	59 Å²	59	59.1 Å²	59.1	22%	0.223	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.6	172.6	-177.7	165.3	-71	163	-0.3	108.9	F529 W537 F540 D542 F587 A588 W607	F529-R531 HydrophobicContact CE2-CB 4.41Å; R531-W537 HydrophobicContact CG-CH2 4.32Å; R531-W537 HydrophobicContact CG-CZ3 3.76Å; R531-F540 HydrophobicContact CG-CB 3.8Å; R531-F540 HydrophobicContact CG-CD2 3.67Å; R531-F540 HydrophobicContact CG-CE2 4.49Å; R531-F540 HydrophobicContact CG-CG 3.85Å; R531-D542 WeakPolarHBondContact CA-OD1 3.36Å; R531-D542 WeakPolarHBondContact CB-OD1 3.39Å; R531-D542 WeakPolarHBondContact CG-OD1 3.37Å; R531-D542 IonicContact CZ-OD1 3.48Å; R531-D542 IonicContact CZ-OD2 3.69Å; R531-D542 IonicContact NE-OD1 2.63Å; R531-D542 PolarHBondContact NE-OD1 3.42Å; R531-D542 IonicContact NE-OD2 2.64Å; R531-D542 PolarHBondContact NE-OD2 3.28Å; R531-D542 IonicContact NH2-OD1 3.54Å; R531-D542 IonicContact NH2-OD2 2.63Å; R531-D542 PolarHBondContact NH2-OD2 2.99Å; R531-F587 CarbonylContact O-C 3.53Å; R531-F587 WeakPolarHBondContact O-CA 3.4Å; R531-F587 WeakPolarHBondContact O-CB 3.48Å; R531-A588 PolarHBondContact N-O 3.2Å; R531-A588 PolarHBondContact O-N 3.16Å; R531-W607 HydrophobicContact CB-CH2 4.11Å; R531-W607 HydrophobicContact CB-CZ3 4.02Å
532	L	97.4	Very high	94.6	Very high	5 Å²	5	60 Å²	60	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.2	-170.6	-176.5	148.5	0	0	0	111.7	L513 F540 N541 Y543 I572 I585 E586 F587	L513-L532 HydrophobicContact CD1-CD1 4.09Å; L532-F540 CarbonylContact O-C 3.44Å; L532-F540 VanDerWaalsContact O-CA 3.24Å; L532-F540 WeakPolarHBondContact O-CA 3.48Å; L532-N541 PolarHBondContact N-O 3.39Å; L532-N541 PolarHBondContact O-N 3.1Å; L532-Y543 HydrophobicContact CB-CD2 4.16Å; L532-Y543 HydrophobicContact CB-CE2 4.06Å; L532-Y543 HydrophobicContact CD2-CE2 4.38Å; L532-I572 HydrophobicContact CD1-CD1 3.55Å; L532-I572 HydrophobicContact CD2-CD1 4.1Å; L532-I572 HydrophobicContact CG-CD1 4.5Å; L532-I585 HydrophobicContact CD1-CG2 3.74Å; L532-I585 HydrophobicContact CD2-CG2 4.08Å; L532-I585 HydrophobicContact CG-CG2 3.93Å; L532-E586 WeakPolarHBondContact CA-O 3.43Å; L532-F587 HydrophobicContact CB-CB 3.96Å; L532-F587 HydrophobicContact CD1-CB 4.21Å; L532-F587 HydrophobicContact CG-CB 4.14Å
533	T	95.8	Very high	94.9	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.5	176	-175.5	0	0	0	0	111.9	N535 W537 T539 E586	T533-N535 PolarHBondContact OG1-N 3.11Å; T533-N535 PolarHBondContact OG1-OD1 2.67Å; T533-N535 VanDerWaalsContact OG1-OD1 3.08Å; T533-W537 HydrophobicContact CG2-CD2 3.7Å; T533-W537 HydrophobicContact CG2-CE3 4.36Å; T533-W537 HydrophobicContact CG2-CG 3.82Å; T533-W537 HydrophobicContact CG2-CZ2 4.13Å; T533-W537 PolarHBondContact OG1-N 3.13Å; T533-W537 VanDerWaalsContact OG1-N 3.13Å; T533-T539 VanDerWaalsContact CB-O 3.24Å; T533-T539 WeakPolarHBondContact CB-O 3.44Å; T533-T539 PolarHBondContact OG1-O 3.32Å; T533-E586 HydrophobicContact CG2-CB 3.8Å; T533-E586 PolarHBondContact N-O 2.83Å; T533-E586 PolarHBondContact O-N 2.98Å; T533-E586 VanDerWaalsContact O-N 3.07Å
534	K	93.9	Very high	95.3	Very high	55 Å²	55	63.6 Å²	63.6	24%	0.239	30%	0.295	C	S	.	.	S	Bend	trans	-109.1	-2.3	172.8	-69.3	-176	-88.1	173.6	0	113.1	I572 E573 D575 F579 I585	K534-I572 HydrophobicContact CD-CG2 3.84Å; K534-I572 HydrophobicContact CG-CG2 4.39Å; K534-E573 PolarHBondContact NZ-O 3.4Å; K534-D575 IonicContact NZ-OD1 2.67Å; K534-D575 PolarHBondContact NZ-OD1 3.18Å; K534-D575 IonicContact NZ-OD2 3.02Å; K534-F579 HydrophobicContact CD-CE1 4.06Å; K534-I585 HydrophobicContact CG-CG1 4.36Å
535	N	91.5	Very high	95.6	Very high	42 Å²	42	53.3 Å²	53.3	23%	0.225	26%	0.255	C	S	.	.	S	Bend	trans	-142.2	30.5	-161.3	65.5	19	0	0	0	115.2	T533 K538 T539	T533-N535 PolarHBondContact OG1-N 3.11Å; T533-N535 PolarHBondContact OG1-OD1 2.67Å; T533-N535 VanDerWaalsContact OG1-OD1 3.08Å; N535-K538 WeakPolarHBondContact O-CD 3.33Å; N535-K538 PolarHBondContact OD1-N 3.13Å; N535-K538 VanDerWaalsContact OD1-N 3.13Å; N535-T539 PolarHBondContact ND2-OG1 2.81Å; N535-T539 PolarHBondContact OD1-N 2.93Å; N535-T539 PolarHBondContact OD1-O 3.23Å
536	N	91.3	Very high	95.8	Very high	61 Å²	61	54.9 Å²	54.9	33%	0.326	27%	0.269	S	S	.	.	S	Bend	trans	55.6	57.7	-173.8	-48.6	114.6	0	0	0	112.3	K538 E586	N536-K538 PolarHBondContact O-N 2.86Å; N536-K538 VanDerWaalsContact O-N 3.1Å; N536-E586 PolarHBondContact ND2-OE1 3.49Å
537	W	92.6	Very high	95.9	Very high	25 Å²	25	57.3 Å²	57.3	10%	0.095	28%	0.278	C	S	.	.	S	Bend	trans	62	18.2	169.3	-59.5	88.3	0	0	0	116.3	V377 F379 R531 T533 E586 A588 N614	V377-W537 HydrophobicContact CG2-CB 4.45Å; F379-W537 HydrophobicContact CD2-CD2 4.32Å; F379-W537 AromaticContact CD2-CE3 3.99Å; F379-W537 HydrophobicContact CD2-CE3 3.99Å; F379-W537 HydrophobicContact CD2-CZ3 4.35Å; F379-W537 HydrophobicContact CE2-CB 3.97Å; F379-W537 AromaticContact CE2-CD2 3.84Å; F379-W537 HydrophobicContact CE2-CD2 3.84Å; F379-W537 AromaticContact CE2-CE3 3.63Å; F379-W537 HydrophobicContact CE2-CE3 3.63Å; F379-W537 AromaticContact CE2-CG 3.98Å; F379-W537 HydrophobicContact CE2-CG 3.98Å; F379-W537 HydrophobicContact CE2-CZ3 4.41Å; F379-W537 HydrophobicContact CZ-CB 4.46Å; R531-W537 HydrophobicContact CG-CH2 4.32Å; R531-W537 HydrophobicContact CG-CZ3 3.76Å; T533-W537 HydrophobicContact CG2-CD2 3.7Å; T533-W537 HydrophobicContact CG2-CE3 4.36Å; T533-W537 HydrophobicContact CG2-CG 3.82Å; T533-W537 HydrophobicContact CG2-CZ2 4.13Å; T533-W537 PolarHBondContact OG1-N 3.13Å; T533-W537 VanDerWaalsContact OG1-N 3.13Å; W537-E586 HydrophobicContact CZ2-CB 4.36Å; W537-E586 PolarHBondContact NE1-OE2 3.18Å; W537-A588 HydrophobicContact CH2-CB 4.15Å; W537-N614 PolarHBondContact NE1-ND2 2.91Å
538	K	92.6	Very high	95.7	Very high	167 Å²	167	55.3 Å²	55.3	73%	0.726	27%	0.268	S	S	*	.	S	Bend	trans	-72.6	-36.2	170.7	-61.3	170	-171.5	160.1	0	111.6	N535 N536	N535-K538 WeakPolarHBondContact O-CD 3.33Å; N535-K538 PolarHBondContact OD1-N 3.13Å; N535-K538 VanDerWaalsContact OD1-N 3.13Å; N536-K538 PolarHBondContact O-N 2.86Å; N536-K538 VanDerWaalsContact O-N 3.1Å
539	T	94.3	Very high	95.2	Very high	87 Å²	87	58.1 Å²	58.1	53%	0.534	29%	0.287	S	S	.	.	S	Bend	trans	-135	154.8	166.3	64.4	0	0	0	0	109.2	T533 N535	T533-T539 VanDerWaalsContact CB-O 3.24Å; T533-T539 WeakPolarHBondContact CB-O 3.44Å; T533-T539 PolarHBondContact OG1-O 3.32Å; N535-T539 PolarHBondContact ND2-OG1 2.81Å; N535-T539 PolarHBondContact OD1-N 2.93Å; N535-T539 PolarHBondContact OD1-O 3.23Å
540	F	96.3	Very high	94.5	Very high	97 Å²	97	65 Å²	65	43%	0.425	32%	0.319	S	S	.	.			trans	-143.2	153.5	176.2	60	-95.3	0	0	0	109.9	R531 L532	R531-F540 HydrophobicContact CG-CB 3.8Å; R531-F540 HydrophobicContact CG-CD2 3.67Å; R531-F540 HydrophobicContact CG-CE2 4.49Å; R531-F540 HydrophobicContact CG-CG 3.85Å; L532-F540 CarbonylContact O-C 3.44Å; L532-F540 VanDerWaalsContact O-CA 3.24Å; L532-F540 WeakPolarHBondContact O-CA 3.48Å
541	N	96.7	Very high	93.7	Very high	82 Å²	82	68 Å²	68	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.5	171.1	-68.7	-8.8	0	0	0	108.6	L532 Y543	L532-N541 PolarHBondContact N-O 3.39Å; L532-N541 PolarHBondContact O-N 3.1Å; N541-Y543 HydrophobicContact CB-CD2 4.22Å; N541-Y543 HydrophobicContact CB-CE2 3.48Å; N541-Y543 VanDerWaalsContact CB-CE2 3.48Å; N541-Y543 PolarHBondContact ND2-OH 2.94Å
542	D	97.5	Very high	92.8	Very high	75 Å²	75	65.4 Å²	65.4	40%	0.401	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.5	175.6	-70.8	-16.1	0	0	0	109.9	F529 R531	F529-D542 HydrophobicContact CD2-CB 3.79Å; F529-D542 HydrophobicContact CE2-CB 4.21Å; R531-D542 WeakPolarHBondContact CA-OD1 3.36Å; R531-D542 WeakPolarHBondContact CB-OD1 3.39Å; R531-D542 WeakPolarHBondContact CG-OD1 3.37Å; R531-D542 IonicContact CZ-OD1 3.48Å; R531-D542 IonicContact CZ-OD2 3.69Å; R531-D542 IonicContact NE-OD1 2.63Å; R531-D542 PolarHBondContact NE-OD1 3.42Å; R531-D542 IonicContact NE-OD2 2.64Å; R531-D542 PolarHBondContact NE-OD2 3.28Å; R531-D542 IonicContact NH2-OD1 3.54Å; R531-D542 IonicContact NH2-OD2 2.63Å; R531-D542 PolarHBondContact NH2-OD2 2.99Å
543	Y	97.6	Very high	91.1	Very high	59 Å²	59	70.2 Å²	70.2	23%	0.231	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.1	-178.5	-65.3	-86.5	0	0	0	110.7	F529 L530 L532 N541 I570	F529-Y543 CarbonylContact C-O 3.51Å; F529-Y543 VanDerWaalsContact CA-O 3.23Å; F529-Y543 WeakPolarHBondContact CA-O 3.43Å; F529-Y543 WeakPolarHBondContact CB-O 3.12Å; L530-Y543 PolarHBondContact N-O 3.02Å; L530-Y543 PolarHBondContact O-N 3.45Å; L532-Y543 HydrophobicContact CB-CD2 4.16Å; L532-Y543 HydrophobicContact CB-CE2 4.06Å; L532-Y543 HydrophobicContact CD2-CE2 4.38Å; N541-Y543 HydrophobicContact CB-CD2 4.22Å; N541-Y543 HydrophobicContact CB-CE2 3.48Å; N541-Y543 VanDerWaalsContact CB-CE2 3.48Å; N541-Y543 PolarHBondContact ND2-OH 2.94Å; Y543-I570 HydrophobicContact CD1-CB 4.49Å; Y543-I570 HydrophobicContact CD1-CG1 4.14Å; Y543-I570 HydrophobicContact CD1-CG2 3.75Å; Y543-I570 HydrophobicContact CD2-CD1 4.04Å; Y543-I570 HydrophobicContact CD2-CG2 4.08Å; Y543-I570 HydrophobicContact CE1-CG2 3.66Å; Y543-I570 HydrophobicContact CE2-CG2 3.99Å; Y543-I570 HydrophobicContact CG-CD1 3.84Å; Y543-I570 HydrophobicContact CG-CG1 3.94Å; Y543-I570 HydrophobicContact CG-CG2 3.95Å
544	Q	97.5	Very high	89.1	Confident	106 Å²	106	73.8 Å²	73.8	50%	0.495	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.8	178.7	-172	71	17.8	0	0	111.7	V528	V528-Q544 PolarHBondContact O-NE2 3.5Å
545	A	97.8	Very high	87	Confident	2 Å²	2	73.1 Å²	73.1	2%	0.017	36%	0.364	C	S	.	.			trans	-95	149.2	169.2	0	0	0	0	0	110.7	I517 V528 L530 F566 I567 F568	I517-A545 HydrophobicContact CD1-CB 4.41Å; V528-A545 HydrophobicContact CB-CB 4.24Å; V528-A545 HydrophobicContact CG1-CB 4.01Å; V528-A545 PolarHBondContact O-N 3.11Å; L530-A545 HydrophobicContact CD1-CB 4.15Å; A545-F566 HydrophobicContact CB-CB 4.04Å; A545-F566 HydrophobicContact CB-CD1 4.43Å; A545-I567 CarbonylContact C-O 3.52Å; A545-I567 WeakPolarHBondContact CA-O 3.29Å; A545-F568 HydrophobicContact CB-CB 4.33Å
546	V	97	Very high	84.6	Confident	104 Å²	104	73.9 Å²	73.9	63%	0.63	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.4	-174.3	-177.3	0	0	0	0	110.1	N548 F566 I567	V546-N548 PolarHBondContact O-N 2.92Å; V546-F566 CarbonylContact O-C 3.57Å; V546-F566 WeakPolarHBondContact O-CA 3.33Å; V546-I567 PolarHBondContact N-O 2.97Å; V546-I567 PolarHBondContact O-N 2.8Å
547	Y	96.6	Very high	82.5	Confident	87 Å²	87	83.9 Å²	83.9	34%	0.341	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.1	175.4	167.8	-107	0	0	0	111.4	S552 D564 F566	Y547-S552 VanDerWaalsContact CE2-OG 3.29Å; Y547-S552 WeakPolarHBondContact CE2-OG 3.22Å; Y547-D564 HydrophobicContact CD2-CB 4.03Å; Y547-D564 HydrophobicContact CE2-CB 3.87Å; Y547-F566 HydrophobicContact CD2-CD2 4.44Å; Y547-F566 AromaticContact CD2-CE2 3.96Å; Y547-F566 HydrophobicContact CD2-CE2 3.96Å; Y547-F566 HydrophobicContact CD2-CZ 4.28Å; Y547-F566 HydrophobicContact CG-CZ 4.46Å
548	N	92.1	Very high	80.3	Confident	30 Å²	30	87.4 Å²	87.4	16%	0.16	43%	0.433	C	S	.	.			trans	-104.9	112.3	172.4	-176.5	-40.3	0	0	0	109.7	V546 Q550 L551 S552 T565 I567	V546-N548 PolarHBondContact O-N 2.92Å; N548-Q550 WeakPolarHBondContact OD1-CA 3.25Å; N548-Q550 WeakPolarHBondContact OD1-CB 3.47Å; N548-Q550 PolarHBondContact OD1-N 3.47Å; N548-L551 HydrophobicContact CB-CB 4.21Å; N548-L551 HydrophobicContact CB-CD1 4.47Å; N548-L551 HydrophobicContact CB-CG 4.48Å; N548-L551 PolarHBondContact OD1-N 3.39Å; N548-S552 WeakPolarHBondContact O-CB 3.49Å; N548-S552 PolarHBondContact O-N 3.21Å; N548-S552 PolarHBondContact O-OG 3.41Å; N548-T565 PolarHBondContact N-O 3.43Å; N548-I567 HydrophobicContact CB-CD1 4.01Å; N548-I567 HydrophobicContact CB-CG1 4.13Å; N548-I567 WeakPolarHBondContact ND2-CD1 3.37Å
549	S	86.8	Confident	78.3	Confident	60 Å²	60	83.5 Å²	83.5	42%	0.42	42%	0.419	S	S	.	.	S	Bend	trans	-65.1	-42.1	178.3	55.8	0	0	0	0	113.1	S552 L553	S549-S552 CarbonylContact O-C 3.56Å; S549-S552 PolarHBondContact O-N 2.72Å; S549-L553 WeakPolarHBondContact O-CB 3.38Å; S549-L553 WeakPolarHBondContact O-CD1 3.37Å; S549-L553 PolarHBondContact O-N 3.36Å
550	Q	82.7	Confident	76.6	Confident	157 Å²	157	86.5 Å²	86.5	73%	0.734	43%	0.431	S	S	*	.	H	α-helix	trans	-61.6	-48	-179.6	-61.5	172.6	-29.6	0	0	111.1	N548 S552 L553	N548-Q550 WeakPolarHBondContact OD1-CA 3.25Å; N548-Q550 WeakPolarHBondContact OD1-CB 3.47Å; N548-Q550 PolarHBondContact OD1-N 3.47Å; Q550-S552 PolarHBondContact O-N 3.11Å; Q550-S552 VanDerWaalsContact O-N 3.12Å; Q550-L553 PolarHBondContact O-N 2.9Å
551	L	81.7	Confident	75.5	Confident	66 Å²	66	86.3 Å²	86.3	35%	0.346	43%	0.43	S	S	.	.	H	α-helix	trans	-74.9	9.3	174.7	-59.6	-178.9	0	0	0	113.8	T516 N548 Y554 T565 I567	T516-L551 HydrophobicContact CG2-CD1 3.97Å; N548-L551 HydrophobicContact CB-CB 4.21Å; N548-L551 HydrophobicContact CB-CD1 4.47Å; N548-L551 HydrophobicContact CB-CG 4.48Å; N548-L551 PolarHBondContact OD1-N 3.39Å; L551-Y554 WeakPolarHBondContact O-CD1 3.48Å; L551-Y554 WeakPolarHBondContact O-CE1 3.34Å; L551-T565 HydrophobicContact CB-CG2 3.91Å; L551-T565 HydrophobicContact CD1-CG2 4.29Å; L551-T565 WeakPolarHBondContact O-CB 3.49Å; L551-T565 PolarHBondContact O-OG1 3.42Å; L551-I567 HydrophobicContact CD1-CD1 4.03Å; L551-I567 HydrophobicContact CD1-CG1 4.43Å
552	S	78	Confident	75	Confident	4 Å²	4	88.6 Å²	88.6	3%	0.028	43%	0.432	C	S	.	.	H	α-helix	trans	-126.2	-13.4	173.7	-51.1	0	0	0	0	112.8	Y547 N548 S549 Q550 T565	Y547-S552 VanDerWaalsContact CE2-OG 3.29Å; Y547-S552 WeakPolarHBondContact CE2-OG 3.22Å; N548-S552 WeakPolarHBondContact O-CB 3.49Å; N548-S552 PolarHBondContact O-N 3.21Å; N548-S552 PolarHBondContact O-OG 3.41Å; S549-S552 CarbonylContact O-C 3.56Å; S549-S552 PolarHBondContact O-N 2.72Å; Q550-S552 PolarHBondContact O-N 3.11Å; Q550-S552 VanDerWaalsContact O-N 3.12Å; S552-T565 PolarHBondContact OG-N 3.2Å
553	L	62.7	Low	74.7	Confident	107 Å²	107	86.5 Å²	86.5	56%	0.56	42%	0.419	S	S	*	.	H	α-helix	trans	-87.3	-10.6	176	-103.1	77.3	0	0	0	113.2	S549 Q550 N555	S549-L553 WeakPolarHBondContact O-CB 3.38Å; S549-L553 WeakPolarHBondContact O-CD1 3.37Å; S549-L553 PolarHBondContact O-N 3.36Å; Q550-L553 PolarHBondContact O-N 2.9Å; L553-N555 PolarHBondContact O-N 3.44Å
554	Y	54.4	Low	74.5	Confident	77 Å²	77	84.1 Å²	84.1	30%	0.302	41%	0.41	S	S	.	.			trans	-65.6	81.1	166.1	72.6	-18.3	0	0	0	111.5	K518 L551 Y714	K518-Y554 WeakPolarHBondContact CE-OH 3.48Å; K518-Y554 PolarHBondContact NZ-OH 3.47Å; L551-Y554 WeakPolarHBondContact O-CD1 3.48Å; L551-Y554 WeakPolarHBondContact O-CE1 3.34Å; Y554-Y714 AromaticContact CD1-CE1 3.88Å; Y554-Y714 HydrophobicContact CD1-CE1 3.88Å; Y554-Y714 AromaticContact CD2-CD1 3.5Å; Y554-Y714 HydrophobicContact CD2-CD1 3.5Å; Y554-Y714 VanDerWaalsContact CD2-CD1 3.5Å; Y554-Y714 AromaticContact CD2-CE1 3.61Å; Y554-Y714 HydrophobicContact CD2-CE1 3.61Å; Y554-Y714 HydrophobicContact CE1-CE1 4Å; Y554-Y714 AromaticContact CE2-CD1 3.68Å; Y554-Y714 HydrophobicContact CE2-CD1 3.68Å; Y554-Y714 AromaticContact CE2-CE1 3.79Å; Y554-Y714 HydrophobicContact CE2-CE1 3.79Å; Y554-Y714 AromaticContact CG-CD1 3.99Å; Y554-Y714 HydrophobicContact CG-CD1 3.99Å; Y554-Y714 AromaticContact CG-CE1 3.65Å; Y554-Y714 HydrophobicContact CG-CE1 3.65Å; Y554-Y714 AromaticContact CZ-CE1 3.98Å; Y554-Y714 WeakPolarHBondContact O-CE1 3.26Å; Y554-Y714 PolarHBondContact O-OH 3.23Å
555	N	50.1	Low	74.4	Confident	40 Å²	40	79.1 Å²	79.1	21%	0.214	39%	0.387	C	S	.	.	S	Bend	trans	-156.8	134.1	158.2	-150.3	-11.8	0	0	0	106.2	L553 N559 I560 Y714	L553-N555 PolarHBondContact O-N 3.44Å; N555-N559 HydrophobicContact CB-CB 4.34Å; N555-N559 VanDerWaalsContact ND2-CB 3.32Å; N555-N559 WeakPolarHBondContact ND2-CB 3.34Å; N555-N559 WeakPolarHBondContact OD1-CB 3.46Å; N555-N559 PolarHBondContact OD1-ND2 3.17Å; N555-I560 PolarHBondContact ND2-O 3.47Å; N555-Y714 WeakPolarHBondContact CB-OH 3.38Å; N555-Y714 PolarHBondContact ND2-OH 3.47Å; N555-Y714 PolarHBondContact OD1-OH 3.03Å
556	T	40.3	Very low	74.4	Confident	59 Å²	59	79.6 Å²	79.6	36%	0.362	39%	0.388	S	S	.	.			trans	-58.2	152.4	-178.6	26.1	0	0	0	0	112.1	S558 N559 N713	T556-S558 PolarHBondContact O-N 3.25Å; T556-N559 PolarHBondContact O-N 3.16Å; T556-N713 HydrophobicContact CG2-CB 4.19Å; T556-N713 VanDerWaalsContact CG2-ND2 3.29Å; T556-N713 WeakPolarHBondContact CG2-ND2 3.25Å
557	W	46.7	Very low	74.4	Confident	271 Å²	271	77 Å²	77	100%	1.027	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-3.8	-174.6	-155.1	-85.6	0	0	0	117.3
558	S	47.2	Very low	74.5	Confident	99 Å²	99	73 Å²	73	69%	0.692	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-10.6	177.9	59.9	0	0	0	0	115	T556	T556-S558 PolarHBondContact O-N 3.25Å
559	N	50.8	Low	74.7	Confident	84 Å²	84	76.4 Å²	76.4	45%	0.449	37%	0.373	S	S	.	.	S	Bend	trans	-114.5	129.2	-164.9	-67.5	-8	0	0	0	112.3	N555 T556	N555-N559 HydrophobicContact CB-CB 4.34Å; N555-N559 VanDerWaalsContact ND2-CB 3.32Å; N555-N559 WeakPolarHBondContact ND2-CB 3.34Å; N555-N559 WeakPolarHBondContact OD1-CB 3.46Å; N555-N559 PolarHBondContact OD1-ND2 3.17Å; T556-N559 PolarHBondContact O-N 3.16Å
560	I	57.4	Low	75.2	Confident	151 Å²	151	73.9 Å²	73.9	77%	0.774	36%	0.355	S	S	*	.			trans	-55.8	140.1	173.6	-62.2	169.3	0	0	0	110.1	N555 R562	N555-I560 PolarHBondContact ND2-O 3.47Å; I560-R562 PolarHBondContact O-N 2.99Å
561	K	73.2	Confident	75.8	Confident	92 Å²	92	71 Å²	71	40%	0.4	34%	0.341	S	S	.	.			trans	-64.6	80.6	171.1	-68.7	-174.7	177.1	-175.5	0	110.5	N521 Y563	N521-K561 VanDerWaalsContact CB-O 3.24Å; N521-K561 WeakPolarHBondContact CB-O 3.3Å; N521-K561 PolarHBondContact ND2-O 3.35Å; K561-Y563 VanDerWaalsContact C-N 3.29Å; K561-Y563 PolarHBondContact O-N 3.44Å
562	R	86.3	Confident	76.4	Confident	131 Å²	131	67.9 Å²	67.9	49%	0.494	33%	0.325	S	S	.	.			trans	-71	-24.8	-175.3	-169	176.2	176.5	137	4.2	112.9	E488 N521 I560	E488-R562 IonicContact OE1-CZ 3.87Å; E488-R562 VanDerWaalsContact OE1-CZ 3.27Å; E488-R562 IonicContact OE1-NE 3.41Å; E488-R562 PolarHBondContact OE1-NE 3.35Å; E488-R562 IonicContact OE1-NH2 3.61Å; E488-R562 PolarHBondContact OE1-NH2 3.35Å; E488-R562 IonicContact OE2-NH2 3.93Å; E488-R562 PolarHBondContact OE2-NH2 2.97Å; E488-R562 VanDerWaalsContact OE2-NH2 3.11Å; N521-R562 PolarHBondContact N-O 3.43Å; I560-R562 PolarHBondContact O-N 2.99Å
563	Y	91.8	Very high	77.2	Confident	31 Å²	31	73.6 Å²	73.6	12%	0.122	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.9	176.2	-44.6	-83.7	0	0	0	110.6	R484 L487 E488 K518 I519 K520 K561	R484-Y563 VanDerWaalsContact CZ-OH 3.28Å; R484-Y563 PolarHBondContact NH1-OH 3.19Å; R484-Y563 PolarHBondContact NH2-OH 3.05Å; L487-Y563 HydrophobicContact CB-CE1 4.14Å; L487-Y563 HydrophobicContact CD1-CD1 4.46Å; E488-Y563 PolarHBondContact OE1-OH 3.11Å; K518-Y563 HydrophobicContact CD-CG 4.42Å; K518-Y563 HydrophobicContact CG-CG 4.37Å; I519-Y563 CarbonylContact O-C 3.57Å; I519-Y563 WeakPolarHBondContact O-CA 3.13Å; I519-Y563 WeakPolarHBondContact O-CB 3.32Å; K520-Y563 HydrophobicContact CB-CD1 4.21Å; K520-Y563 HydrophobicContact CB-CE1 4.31Å; K520-Y563 HydrophobicContact CG-CE1 4.45Å; K561-Y563 VanDerWaalsContact C-N 3.29Å; K561-Y563 PolarHBondContact O-N 3.44Å
564	D	94.1	Very high	78.5	Confident	9 Å²	9	69.4 Å²	69.4	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.3	166.4	-66.8	-37.7	0	0	0	109.1	I519 K526 Y547 F566	I519-D564 HydrophobicContact CG1-CB 4.11Å; I519-D564 PolarHBondContact N-O 2.9Å; I519-D564 PolarHBondContact O-N 3.34Å; K526-D564 VanDerWaalsContact CE-OD2 3.26Å; K526-D564 WeakPolarHBondContact CE-OD2 3.02Å; K526-D564 IonicContact NZ-OD2 3.26Å; K526-D564 PolarHBondContact NZ-OD2 3.45Å; Y547-D564 HydrophobicContact CD2-CB 4.03Å; Y547-D564 HydrophobicContact CE2-CB 3.87Å; D564-F566 HydrophobicContact CB-CD2 4.37Å; D564-F566 HydrophobicContact CB-CE2 3.86Å
565	T	95.1	Very high	80	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.4	178.1	-53.3	0	0	0	0	109.9	T516 I517 N548 L551 S552	T516-T565 HydrophobicContact CG2-CG2 4.02Å; I517-T565 WeakPolarHBondContact O-CA 3.31Å; N548-T565 PolarHBondContact N-O 3.43Å; L551-T565 HydrophobicContact CB-CG2 3.91Å; L551-T565 HydrophobicContact CD1-CG2 4.29Å; L551-T565 WeakPolarHBondContact O-CB 3.49Å; L551-T565 PolarHBondContact O-OG1 3.42Å; S552-T565 PolarHBondContact OG-N 3.2Å
566	F	97.5	Very high	81.7	Confident	11 Å²	11	76.9 Å²	76.9	5%	0.048	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.3	178.9	-75.8	-115	0	0	0	109.6	T516 I517 I519 K526 V528 A545 V546 Y547 D564	T516-F566 CarbonylContact C-O 3.47Å; T516-F566 VanDerWaalsContact CA-O 3.27Å; T516-F566 WeakPolarHBondContact CA-O 3.29Å; I517-F566 HydrophobicContact CB-CB 4.45Å; I517-F566 PolarHBondContact N-O 3.44Å; I517-F566 PolarHBondContact O-N 3.47Å; I519-F566 HydrophobicContact CD1-CD2 3.93Å; I519-F566 HydrophobicContact CD1-CE2 3.41Å; I519-F566 VanDerWaalsContact CD1-CE2 3.41Å; I519-F566 HydrophobicContact CD1-CZ 4.04Å; I519-F566 HydrophobicContact CG1-CD2 4.18Å; I519-F566 HydrophobicContact CG1-CE2 3.99Å; K526-F566 HydrophobicContact CB-CZ 4.17Å; K526-F566 HydrophobicContact CD-CZ 4.49Å; V528-F566 HydrophobicContact CB-CD1 3.72Å; V528-F566 HydrophobicContact CB-CE1 4.06Å; V528-F566 HydrophobicContact CB-CG 4.11Å; V528-F566 HydrophobicContact CG1-CB 4.4Å; V528-F566 HydrophobicContact CG1-CD1 4.45Å; V528-F566 HydrophobicContact CG1-CG 4.42Å; V528-F566 HydrophobicContact CG2-CD1 3.67Å; V528-F566 HydrophobicContact CG2-CD2 4.07Å; V528-F566 HydrophobicContact CG2-CE1 3.65Å; V528-F566 HydrophobicContact CG2-CE2 4.09Å; V528-F566 HydrophobicContact CG2-CG 3.9Å; V528-F566 HydrophobicContact CG2-CZ 3.88Å; A545-F566 HydrophobicContact CB-CB 4.04Å; A545-F566 HydrophobicContact CB-CD1 4.43Å; V546-F566 CarbonylContact O-C 3.57Å; V546-F566 WeakPolarHBondContact O-CA 3.33Å; Y547-F566 HydrophobicContact CD2-CD2 4.44Å; Y547-F566 AromaticContact CD2-CE2 3.96Å; Y547-F566 HydrophobicContact CD2-CE2 3.96Å; Y547-F566 HydrophobicContact CD2-CZ 4.28Å; Y547-F566 HydrophobicContact CG-CZ 4.46Å; D564-F566 HydrophobicContact CB-CD2 4.37Å; D564-F566 HydrophobicContact CB-CE2 3.86Å
567	I	97.6	Very high	83.8	Confident	49 Å²	49	81.5 Å²	81.5	25%	0.251	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.8	176.2	-69.9	-178.4	0	0	0	109.9	G515 T516 A545 V546 N548 L551	G515-I567 WeakPolarHBondContact O-CA 3.3Å; T516-I567 HydrophobicContact CG2-CG1 4Å; A545-I567 CarbonylContact C-O 3.52Å; A545-I567 WeakPolarHBondContact CA-O 3.29Å; V546-I567 PolarHBondContact N-O 2.97Å; V546-I567 PolarHBondContact O-N 2.8Å; N548-I567 HydrophobicContact CB-CD1 4.01Å; N548-I567 HydrophobicContact CB-CG1 4.13Å; N548-I567 WeakPolarHBondContact ND2-CD1 3.37Å; L551-I567 HydrophobicContact CD1-CD1 4.03Å; L551-I567 HydrophobicContact CD1-CG1 4.43Å
568	F	97.7	Very high	85.8	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.2	164.4	64	-85.8	0	0	0	111.2	L494 I497 L513 K514 G515 I517 L530 A545 I570	L494-F568 HydrophobicContact CD1-CE1 3.68Å; L494-F568 HydrophobicContact CD1-CZ 3.9Å; I497-F568 HydrophobicContact CB-CZ 4.21Å; I497-F568 HydrophobicContact CD1-CE2 4.04Å; I497-F568 HydrophobicContact CD1-CZ 3.99Å; I497-F568 HydrophobicContact CG1-CE2 4.19Å; I497-F568 HydrophobicContact CG1-CZ 3.99Å; L513-F568 HydrophobicContact CB-CE2 4.34Å; K514-F568 WeakPolarHBondContact CA-O 3.5Å; G515-F568 VanDerWaalsContact C-CE1 3.42Å; G515-F568 PolarHBondContact N-O 2.86Å; G515-F568 VanDerWaalsContact N-O 3.13Å; G515-F568 WeakPolarHBondContact O-CD1 3.39Å; G515-F568 PolarHBondContact O-N 2.98Å; G515-F568 VanDerWaalsContact O-N 3.08Å; I517-F568 HydrophobicContact CD1-CD1 3.94Å; I517-F568 HydrophobicContact CD1-CE1 4.28Å; I517-F568 HydrophobicContact CG1-CD1 3.99Å; I517-F568 HydrophobicContact CG1-CE1 3.99Å; L530-F568 HydrophobicContact CD1-CB 3.47Å; L530-F568 VanDerWaalsContact CD1-CB 3.47Å; L530-F568 HydrophobicContact CD1-CD1 3.94Å; L530-F568 HydrophobicContact CD1-CD2 4.32Å; L530-F568 HydrophobicContact CD1-CG 3.66Å; L530-F568 HydrophobicContact CD2-CB 4.43Å; L530-F568 HydrophobicContact CD2-CD1 3.81Å; L530-F568 HydrophobicContact CD2-CD2 3.73Å; L530-F568 HydrophobicContact CD2-CE1 3.91Å; L530-F568 HydrophobicContact CD2-CE2 3.83Å; L530-F568 HydrophobicContact CD2-CG 3.72Å; L530-F568 HydrophobicContact CD2-CZ 3.91Å; L530-F568 HydrophobicContact CG-CD1 4.49Å; L530-F568 HydrophobicContact CG-CG 4.38Å; A545-F568 HydrophobicContact CB-CB 4.33Å; F568-I570 HydrophobicContact CD2-CD1 3.96Å; F568-I570 HydrophobicContact CD2-CG1 4.2Å
569	N	97	Very high	87.9	Confident	102 Å²	102	67.9 Å²	67.9	55%	0.545	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	96.3	176.1	176.6	49.6	0	0	0	107.3	K512 L513	K512-N569 VanDerWaalsContact CE-OD1 3.28Å; K512-N569 WeakPolarHBondContact CE-OD1 3.31Å; L513-N569 CarbonylContact O-C 3.59Å; L513-N569 VanDerWaalsContact O-CA 3.32Å; L513-N569 WeakPolarHBondContact O-CA 2.97Å
570	I	96.9	Very high	89.7	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.5	-169.1	-59.4	170.7	0	0	0	108.7	K512 L513 L530 Y543 F568 I572	K512-I570 CarbonylContact C-O 3.52Å; K512-I570 VanDerWaalsContact CA-O 3.31Å; K512-I570 WeakPolarHBondContact CA-O 3.44Å; L513-I570 HydrophobicContact CB-CB 4.46Å; L513-I570 PolarHBondContact N-O 3.27Å; L513-I570 PolarHBondContact O-N 3.17Å; L530-I570 HydrophobicContact CB-CD1 4.15Å; L530-I570 HydrophobicContact CD1-CD1 4.29Å; L530-I570 HydrophobicContact CD2-CD1 4.09Å; L530-I570 HydrophobicContact CG-CD1 4.41Å; Y543-I570 HydrophobicContact CD1-CB 4.49Å; Y543-I570 HydrophobicContact CD1-CG1 4.14Å; Y543-I570 HydrophobicContact CD1-CG2 3.75Å; Y543-I570 HydrophobicContact CD2-CD1 4.04Å; Y543-I570 HydrophobicContact CD2-CG2 4.08Å; Y543-I570 HydrophobicContact CE1-CG2 3.66Å; Y543-I570 HydrophobicContact CE2-CG2 3.99Å; Y543-I570 HydrophobicContact CG-CD1 3.84Å; Y543-I570 HydrophobicContact CG-CG1 3.94Å; Y543-I570 HydrophobicContact CG-CG2 3.95Å; F568-I570 HydrophobicContact CD2-CD1 3.96Å; F568-I570 HydrophobicContact CD2-CG1 4.2Å; I570-I572 HydrophobicContact CG2-CD1 4.29Å; I570-I572 HydrophobicContact CG2-CG1 3.77Å
571	H	95.5	Very high	91	Very high	95 Å²	95	62 Å²	62	44%	0.44	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138	165.7	-161.3	47.9	0	0	0	110.1	S510 I511 E573	S510-H571 VanDerWaalsContact CB-CE1 3.44Å; S510-H571 WeakPolarHBondContact CB-CE1 3.28Å; S510-H571 PolarHBondContact OG-CE1 3.31Å; I511-H571 PolarHBondContact O-ND1 3.24Å; H571-E573 IonicContact CD2-OE1 3.66Å; H571-E573 PolarHBondContact CD2-OE1 3Å; H571-E573 IonicContact NE2-OE1 3.6Å
572	I	94.8	Very high	91.7	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	107.3	-178.7	-48	176.9	0	0	0	108.1	S510 I511 L513 L532 K534 I570 F579 I585	S510-I572 CarbonylContact C-O 3.59Å; S510-I572 VanDerWaalsContact CA-O 3.23Å; S510-I572 WeakPolarHBondContact CA-O 3.48Å; I511-I572 HydrophobicContact CD1-CD1 4.47Å; I511-I572 HydrophobicContact CG1-CB 4.02Å; I511-I572 HydrophobicContact CG1-CD1 4.4Å; I511-I572 PolarHBondContact N-O 3.13Å; I511-I572 PolarHBondContact O-N 3.21Å; L513-I572 HydrophobicContact CD1-CD1 3.54Å; L513-I572 HydrophobicContact CG-CD1 3.89Å; L532-I572 HydrophobicContact CD1-CD1 3.55Å; L532-I572 HydrophobicContact CD2-CD1 4.1Å; L532-I572 HydrophobicContact CG-CD1 4.5Å; K534-I572 HydrophobicContact CD-CG2 3.84Å; K534-I572 HydrophobicContact CG-CG2 4.39Å; I570-I572 HydrophobicContact CG2-CD1 4.29Å; I570-I572 HydrophobicContact CG2-CG1 3.77Å; I572-F579 HydrophobicContact CG2-CZ 4.16Å; I572-I585 HydrophobicContact CD1-CD1 4.13Å; I572-I585 HydrophobicContact CD1-CG2 4.1Å; I572-I585 HydrophobicContact CG2-CD1 4.17Å
573	E	93.1	Very high	91.9	Very high	124 Å²	124	59.9 Å²	59.9	58%	0.579	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	155	172.5	-66.9	162.8	-139.6	0	0	110.3	K534 H571 F579	K534-E573 PolarHBondContact NZ-O 3.4Å; H571-E573 IonicContact CD2-OE1 3.66Å; H571-E573 PolarHBondContact CD2-OE1 3Å; H571-E573 IonicContact NE2-OE1 3.6Å; E573-F579 VanDerWaalsContact C-CZ 3.45Å
574	S	90.6	Very high	92	Very high	18 Å²	18	62 Å²	62	13%	0.126	31%	0.305	C	S	.	.			trans	-74.6	149.2	168.6	-177.6	0	0	0	0	110.8	S509 Q576 Y578	S509-S574 PolarHBondContact O-N 2.9Å; S574-Q576 WeakPolarHBondContact CB-O 3.47Å; S574-Q576 PolarHBondContact O-N 3.24Å; S574-Q576 PolarHBondContact OG-N 3.14Å; S574-Q576 VanDerWaalsContact OG-N 3.1Å; S574-Q576 PolarHBondContact OG-O 2.93Å; S574-Y578 VanDerWaalsContact OG-C 3.26Å; S574-Y578 PolarHBondContact OG-O 2.95Å
575	D	86	Confident	92.1	Very high	129 Å²	129	61.6 Å²	61.6	69%	0.69	30%	0.303	S	S	*	.	S	Bend	trans	-77	-1.9	171.3	-52.3	-21.4	0	0	0	111.4	K534	K534-D575 IonicContact NZ-OD1 2.67Å; K534-D575 PolarHBondContact NZ-OD1 3.18Å; K534-D575 IonicContact NZ-OD2 3.02Å
576	Q	86.2	Confident	92.1	Very high	145 Å²	145	62 Å²	62	68%	0.678	31%	0.305	S	S	*	.	S	Bend	trans	-128.4	-178.2	176.4	-57.1	-176.6	46.6	0	0	109.9	S574 Y578	S574-Q576 WeakPolarHBondContact CB-O 3.47Å; S574-Q576 PolarHBondContact O-N 3.24Å; S574-Q576 PolarHBondContact OG-N 3.14Å; S574-Q576 VanDerWaalsContact OG-N 3.1Å; S574-Q576 PolarHBondContact OG-O 2.93Å; Q576-Y578 PolarHBondContact O-N 3.01Å
577	K	85.3	Confident	92.1	Very high	156 Å²	156	61.5 Å²	61.5	68%	0.678	30%	0.303	S	S	*	.	S	Bend	trans	-58.1	-33.3	178.8	-165.8	-173	-179.6	-146.8	0	113.3	S509	S509-K577 WeakPolarHBondContact CB-O 3.49Å
578	Y	88	Confident	92.2	Very high	76 Å²	76	59.4 Å²	59.4	30%	0.298	29%	0.293	S	S	.	.	S	Bend	trans	-142.6	167.8	176	-53.5	-69.5	0	0	0	109.1	T508 S574 Q576	T508-Y578 WeakPolarHBondContact O-CA 3.31Å; S574-Y578 VanDerWaalsContact OG-C 3.26Å; S574-Y578 PolarHBondContact OG-O 2.95Å; Q576-Y578 PolarHBondContact O-N 3.01Å
579	F	90.1	Very high	92.2	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.035	29%	0.292	C	S	.	.			trans	-77.7	147.3	166.2	-66.1	-79	0	0	0	111.3	W469 T508 K534 I572 E573 D583	W469-F579 HydrophobicContact CZ2-CB 3.81Å; W469-F579 AromaticContact CZ2-CD1 3.96Å; W469-F579 HydrophobicContact CZ2-CD1 3.96Å; W469-F579 AromaticContact CZ2-CD2 3.77Å; W469-F579 HydrophobicContact CZ2-CD2 3.77Å; W469-F579 HydrophobicContact CZ2-CE1 4.42Å; W469-F579 HydrophobicContact CZ2-CE2 4.27Å; W469-F579 AromaticContact CZ2-CG 3.6Å; W469-F579 HydrophobicContact CZ2-CG 3.6Å; W469-F579 AromaticContact NE1-CD2 3.97Å; T508-F579 WeakPolarHBondContact O-CD2 3.42Å; T508-F579 PolarHBondContact O-N 3.34Å; K534-F579 HydrophobicContact CD-CE1 4.06Å; I572-F579 HydrophobicContact CG2-CZ 4.16Å; E573-F579 VanDerWaalsContact C-CZ 3.45Å; F579-D583 WeakPolarHBondContact CA-OD2 3.33Å; F579-D583 HydrophobicContact CB-CB 4.48Å
580	D	88.9	Confident	92.2	Very high	72 Å²	72	54.3 Å²	54.3	39%	0.385	27%	0.266	S	S	.	.			trans	-69.8	139	170.3	-172.3	-55	0	0	0	109.4	N582 D583 Q619	D580-N582 PolarHBondContact O-N 3.2Å; D580-N582 WeakPolarHBondContact OD1-CB 3.5Å; D580-N582 PolarHBondContact OD1-N 2.84Å; D580-N582 PolarHBondContact OD1-ND2 3.44Å; D580-D583 PolarHBondContact N-OD2 3.28Å; D580-D583 VanDerWaalsContact O-CB 3.32Å; D580-D583 WeakPolarHBondContact O-CB 3.37Å; D580-D583 PolarHBondContact O-N 3.04Å; D580-Q619 PolarHBondContact O-NE2 3.37Å
581	P	86.3	Confident	92.2	Very high	39 Å²	39	54 Å²	54	25%	0.253	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-20.4	170.4	-34.9	40.4	0	0	0	116.9	Y467 Y507	Y467-P581 HydrophobicContact CD1-CB 4.21Å; Y467-P581 HydrophobicContact CD2-CG 4.2Å; Y467-P581 HydrophobicContact CE1-CB 3.63Å; Y467-P581 HydrophobicContact CE1-CG 4.15Å; Y467-P581 HydrophobicContact CE2-CB 4.12Å; Y467-P581 HydrophobicContact CE2-CG 3.7Å; Y507-P581 HydrophobicContact CD1-CG 4.39Å; Y507-P581 HydrophobicContact CE1-CG 3.99Å
582	N	87.7	Confident	92.2	Very high	133 Å²	133	49.5 Å²	49.5	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.3	178.4	-55.8	-87.9	0	0	0	113.4	D580	D580-N582 PolarHBondContact O-N 3.2Å; D580-N582 WeakPolarHBondContact OD1-CB 3.5Å; D580-N582 PolarHBondContact OD1-N 2.84Å; D580-N582 PolarHBondContact OD1-ND2 3.44Å
583	D	90.3	Very high	92.2	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	24%	0.243	S	C	.	.			trans	-63.9	141.9	179	-77.3	-23.2	0	0	0	111.1	W469 F579 D580	W469-D583 HydrophobicContact CH2-CB 4.14Å; F579-D583 WeakPolarHBondContact CA-OD2 3.33Å; F579-D583 HydrophobicContact CB-CB 4.48Å; D580-D583 PolarHBondContact N-OD2 3.28Å; D580-D583 VanDerWaalsContact O-CB 3.32Å; D580-D583 WeakPolarHBondContact O-CB 3.37Å; D580-D583 PolarHBondContact O-N 3.04Å
584	K	92.9	Very high	91.9	Very high	75 Å²	75	46.3 Å²	46.3	33%	0.326	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138	176.5	-54.9	-162.1	-178	-160.3	0	109.8	I616 E618	K584-I616 HydrophobicContact CB-CG2 4.36Å; K584-I616 HydrophobicContact CD-CG2 4.24Å; K584-E618 HydrophobicContact CD-CG 4.18Å; K584-E618 WeakPolarHBondContact CD-OE1 3.43Å; K584-E618 WeakPolarHBondContact CE-OE1 3.05Å; K584-E618 HydrophobicContact CG-CG 4.25Å; K584-E618 IonicContact NZ-OE1 2.73Å; K584-E618 PolarHBondContact NZ-OE1 3.38Å
585	I	95.8	Very high	91.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.9	170.9	-67.5	168.5	0	0	0	106.3	W469 I511 L532 K534 I572 I616 I617	W469-I585 HydrophobicContact CE3-CD1 4.29Å; W469-I585 HydrophobicContact CH2-CD1 3.69Å; W469-I585 HydrophobicContact CH2-CG1 3.88Å; W469-I585 HydrophobicContact CZ2-CD1 4.09Å; W469-I585 HydrophobicContact CZ3-CB 4.4Å; W469-I585 HydrophobicContact CZ3-CD1 3.81Å; W469-I585 HydrophobicContact CZ3-CG1 3.95Å; I511-I585 HydrophobicContact CD1-CD1 3.54Å; I511-I585 HydrophobicContact CG1-CD1 4.28Å; L532-I585 HydrophobicContact CD1-CG2 3.74Å; L532-I585 HydrophobicContact CD2-CG2 4.08Å; L532-I585 HydrophobicContact CG-CG2 3.93Å; K534-I585 HydrophobicContact CG-CG1 4.36Å; I572-I585 HydrophobicContact CD1-CD1 4.13Å; I572-I585 HydrophobicContact CD1-CG2 4.1Å; I572-I585 HydrophobicContact CG2-CD1 4.17Å; I585-I616 WeakPolarHBondContact O-CA 3.46Å; I585-I617 HydrophobicContact CB-CB 4.32Å; I585-I617 PolarHBondContact N-O 2.98Å; I585-I617 PolarHBondContact O-N 2.85Å
586	E	96.8	Very high	90	Very high	9 Å²	9	49 Å²	49	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.7	176.1	-55	178	-138.6	0	0	108.8	L532 T533 N536 W537 N614 Y615 I616	L532-E586 WeakPolarHBondContact CA-O 3.43Å; T533-E586 HydrophobicContact CG2-CB 3.8Å; T533-E586 PolarHBondContact N-O 2.83Å; T533-E586 PolarHBondContact O-N 2.98Å; T533-E586 VanDerWaalsContact O-N 3.07Å; N536-E586 PolarHBondContact ND2-OE1 3.49Å; W537-E586 HydrophobicContact CZ2-CB 4.36Å; W537-E586 PolarHBondContact NE1-OE2 3.18Å; E586-N614 HydrophobicContact CB-CB 4.47Å; E586-N614 PolarHBondContact OE2-ND2 3.18Å; E586-Y615 CarbonylContact C-O 3.52Å; E586-Y615 WeakPolarHBondContact CA-O 3.4Å; E586-I616 HydrophobicContact CG-CG1 4.22Å; E586-I616 HydrophobicContact CG-CG2 4.39Å
587	F	97.6	Very high	89	Confident	1 Å²	1	47 Å²	47	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.9	170.2	70.3	-85.6	0	0	0	113.3	F473 L494 I497 L530 R531 L532 I589 Y615 I617	F473-F587 HydrophobicContact CZ-CZ 4.37Å; L494-F587 HydrophobicContact CD2-CE2 4.25Å; L494-F587 HydrophobicContact CD2-CZ 4.05Å; I497-F587 HydrophobicContact CD1-CE1 3.92Å; I497-F587 HydrophobicContact CD1-CZ 3.7Å; L530-F587 HydrophobicContact CD2-CD2 4.04Å; L530-F587 HydrophobicContact CD2-CE2 4.01Å; R531-F587 CarbonylContact O-C 3.53Å; R531-F587 WeakPolarHBondContact O-CA 3.4Å; R531-F587 WeakPolarHBondContact O-CB 3.48Å; L532-F587 HydrophobicContact CB-CB 3.96Å; L532-F587 HydrophobicContact CD1-CB 4.21Å; L532-F587 HydrophobicContact CG-CB 4.14Å; F587-I589 HydrophobicContact CD2-CG2 3.89Å; F587-I589 HydrophobicContact CE2-CG2 3.99Å; F587-Y615 VanDerWaalsContact CD1-O 3.31Å; F587-Y615 WeakPolarHBondContact CD1-O 3.5Å; F587-Y615 HydrophobicContact CD2-CD2 4.23Å; F587-Y615 HydrophobicContact CD2-CG 4.48Å; F587-Y615 VanDerWaalsContact CE1-CB 3.43Å; F587-Y615 HydrophobicContact CE1-CG 4.43Å; F587-Y615 AromaticContact CE2-CD2 3.78Å; F587-Y615 HydrophobicContact CE2-CD2 3.78Å; F587-Y615 AromaticContact CE2-CG 3.91Å; F587-Y615 HydrophobicContact CE2-CG 3.91Å; F587-Y615 HydrophobicContact CZ-CD2 4.23Å; F587-Y615 AromaticContact CZ-CG 3.89Å; F587-Y615 HydrophobicContact CZ-CG 3.89Å; F587-Y615 PolarHBondContact N-O 2.98Å; F587-Y615 WeakPolarHBondContact O-CB 3.14Å; F587-Y615 PolarHBondContact O-N 3.25Å; F587-I617 HydrophobicContact CE1-CD1 4.12Å; F587-I617 HydrophobicContact CE1-CG1 4.31Å
588	A	97.7	Very high	87.6	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.033	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.3	165.2	0	0	0	0	0	108.3	L530 R531 W537 W607 D608 N609	L530-A588 CarbonylContact C-O 3.53Å; R531-A588 PolarHBondContact N-O 3.2Å; R531-A588 PolarHBondContact O-N 3.16Å; W537-A588 HydrophobicContact CH2-CB 4.15Å; A588-W607 HydrophobicContact CB-CE3 4.18Å; A588-W607 HydrophobicContact CB-CZ3 4.23Å; A588-D608 WeakPolarHBondContact CA-O 3.32Å; A588-N609 HydrophobicContact CB-CB 4.2Å
589	I	97.8	Very high	86	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.2	-179.2	69.5	176.4	0	0	0	110.5	I492 L494 I517 F529 L530 F587 W607 D608	I492-I589 HydrophobicContact CD1-CB 4.21Å; I492-I589 HydrophobicContact CD1-CD1 3.69Å; I492-I589 HydrophobicContact CD1-CG1 3.66Å; I492-I589 HydrophobicContact CG1-CD1 3.65Å; I492-I589 HydrophobicContact CG1-CG1 3.95Å; L494-I589 HydrophobicContact CB-CD1 3.98Å; I517-I589 HydrophobicContact CB-CD1 4.48Å; I517-I589 HydrophobicContact CD1-CB 4.14Å; I517-I589 HydrophobicContact CD1-CD1 4.03Å; I517-I589 HydrophobicContact CD1-CG2 4Å; I517-I589 HydrophobicContact CG1-CD1 3.89Å; I517-I589 HydrophobicContact CG2-CD1 3.86Å; F529-I589 WeakPolarHBondContact O-CA 3.19Å; L530-I589 HydrophobicContact CB-CG2 4.22Å; L530-I589 HydrophobicContact CD2-CG2 3.83Å; L530-I589 HydrophobicContact CG-CG2 3.66Å; F587-I589 HydrophobicContact CD2-CG2 3.89Å; F587-I589 HydrophobicContact CE2-CG2 3.99Å; I589-W607 WeakPolarHBondContact O-CA 3.11Å; I589-D608 HydrophobicContact CD1-CB 4.09Å; I589-D608 HydrophobicContact CG1-CB 3.63Å; I589-D608 PolarHBondContact N-O 3Å; I589-D608 PolarHBondContact O-N 2.95Å
590	C	97.7	Very high	84.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.3	-178.7	-176.3	0	0	0	0	110.4	V528 F529 Y606 W607	V528-C590 VanDerWaalsContact CA-O 3.32Å; V528-C590 WeakPolarHBondContact CA-O 3.45Å; F529-C590 HydrophobicContact CD1-CB 3.98Å; F529-C590 HydrophobicContact CD2-CB 4.28Å; F529-C590 HydrophobicContact CE1-CB 3.48Å; F529-C590 VanDerWaalsContact CE1-CB 3.48Å; F529-C590 VanDerWaalsContact CE1-SG 3.59Å; F529-C590 HydrophobicContact CE2-CB 3.82Å; F529-C590 HydrophobicContact CG-CB 4.35Å; F529-C590 HydrophobicContact CZ-CB 3.39Å; F529-C590 PolarHBondContact N-O 3.04Å; F529-C590 PolarHBondContact O-N 3.47Å; C590-Y606 CarbonylContact C-O 3.55Å; C590-Y606 WeakPolarHBondContact CA-O 3.48Å; C590-W607 HydrophobicContact CB-CD2 3.85Å; C590-W607 HydrophobicContact CB-CE3 3.85Å; C590-W607 HydrophobicContact CB-CH2 3.71Å; C590-W607 HydrophobicContact CB-CZ2 3.7Å; C590-W607 HydrophobicContact CB-CZ3 3.78Å; C590-W607 VanDerWaalsContact SG-CE2 3.59Å
591	F	97.4	Very high	82.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.9	161.5	165.7	-143.5	0	0	0	108.3	I492 I519 I522 K526 V528 A593 Y606	I492-F591 HydrophobicContact CB-CB 3.95Å; I492-F591 HydrophobicContact CD1-CB 3.75Å; I492-F591 HydrophobicContact CG1-CB 4.41Å; I492-F591 HydrophobicContact CG2-CB 4.27Å; I519-F591 HydrophobicContact CB-CD1 4.16Å; I519-F591 HydrophobicContact CB-CG 4.37Å; I519-F591 HydrophobicContact CD1-CD1 4.45Å; I519-F591 HydrophobicContact CD1-CD2 3.89Å; I519-F591 HydrophobicContact CD1-CE1 4.46Å; I519-F591 HydrophobicContact CD1-CE2 3.95Å; I519-F591 HydrophobicContact CD1-CG 4.19Å; I519-F591 HydrophobicContact CD1-CZ 4.23Å; I519-F591 HydrophobicContact CG2-CB 4.06Å; I519-F591 HydrophobicContact CG2-CD1 4.33Å; I519-F591 HydrophobicContact CG2-CG 4.15Å; I522-F591 HydrophobicContact CD1-CE1 3.74Å; I522-F591 HydrophobicContact CD1-CZ 4.05Å; I522-F591 HydrophobicContact CG1-CE1 3.86Å; I522-F591 HydrophobicContact CG1-CZ 3.84Å; K526-F591 HydrophobicContact CB-CD2 4.37Å; K526-F591 HydrophobicContact CB-CE2 3.74Å; K526-F591 HydrophobicContact CD-CE2 3.85Å; K526-F591 HydrophobicContact CD-CZ 4.06Å; K526-F591 HydrophobicContact CG-CE2 3.78Å; K526-F591 HydrophobicContact CG-CZ 4.28Å; V528-F591 HydrophobicContact CG2-CD2 4.21Å; F591-A593 HydrophobicContact CE2-CB 4.39Å; F591-A593 HydrophobicContact CZ-CB 4.16Å; F591-Y606 AromaticContact CD1-CD2 3.83Å; F591-Y606 HydrophobicContact CD1-CD2 3.83Å; F591-Y606 HydrophobicContact CD1-CG 4.46Å; F591-Y606 HydrophobicContact CE1-CD2 4.14Å; F591-Y606 HydrophobicContact CE1-CE2 4.44Å; F591-Y606 HydrophobicContact CG-CD2 4.43Å; F591-Y606 PolarHBondContact N-O 3.2Å; F591-Y606 PolarHBondContact O-N 3.34Å
592	T	96.1	Very high	82.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.5	166.9	-67.7	0	0	0	0	109.8	K526 L527 L594 K603 I604	K526-T592 WeakPolarHBondContact CA-O 3.48Å; L527-T592 PolarHBondContact N-O 2.95Å; L527-T592 PolarHBondContact O-N 3.33Å; T592-L594 HydrophobicContact CG2-CD2 3.88Å; T592-L594 HydrophobicContact CG2-CG 4.06Å; T592-K603 HydrophobicContact CG2-CD 4.07Å; T592-K603 HydrophobicContact CG2-CG 3.48Å; T592-K603 VanDerWaalsContact CG2-CG 3.48Å; T592-K603 WeakPolarHBondContact OG1-CE 3.49Å; T592-I604 CarbonylContact C-O 3.59Å; T592-I604 WeakPolarHBondContact CA-O 3.3Å
593	A	93.1	Very high	82.2	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.8	160.1	0	0	0	0	0	109.8	I522 C523 F591 I604 Y606	I522-A593 HydrophobicContact CD1-CB 4.18Å; C523-A593 VanDerWaalsContact SG-CB 3.59Å; F591-A593 HydrophobicContact CE2-CB 4.39Å; F591-A593 HydrophobicContact CZ-CB 4.16Å; A593-I604 PolarHBondContact N-O 3.45Å; A593-I604 PolarHBondContact O-N 3.39Å; A593-I604 VanDerWaalsContact O-N 3.12Å; A593-Y606 HydrophobicContact CB-CE2 4.23Å
594	L	87.1	Confident	82.3	Confident	57 Å²	57	65.8 Å²	65.8	30%	0.298	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.6	170.2	-63.1	172.5	0	0	0	109.1	E525 L527 T592 K603	E525-L594 HydrophobicContact CB-CB 3.88Å; E525-L594 HydrophobicContact CB-CD1 4.39Å; E525-L594 PolarHBondContact O-N 3.16Å; L527-L594 HydrophobicContact CD1-CD1 4.21Å; L527-L594 HydrophobicContact CG-CD1 4.39Å; T592-L594 HydrophobicContact CG2-CD2 3.88Å; T592-L594 HydrophobicContact CG2-CG 4.06Å; L594-K603 HydrophobicContact CD2-CB 4.43Å; L594-K603 HydrophobicContact CD2-CG 4.12Å
595	N	74.7	Confident	82.4	Confident	63 Å²	63	66.1 Å²	66.1	34%	0.337	33%	0.328	S	S	.	.			trans	-110.2	126	174.6	-72.5	-0.1	0	0	0	109.6	D597	N595-D597 PolarHBondContact O-N 3.01Å
596	H	63.3	Low	82.4	Confident	141 Å²	141	68.5 Å²	68.5	65%	0.653	34%	0.338	S	S	*	.			trans	-82.7	55	172.1	-74.4	-58.9	0	0	0	111.9	E525	E525-H596 IonicContact OE1-CD2 3.64Å; E525-H596 IonicContact OE1-CE1 3.01Å; E525-H596 IonicContact OE1-NE2 3.35Å; E525-H596 PolarHBondContact OE1-NE2 2.9Å; E525-H596 IonicContact OE2-CD2 3.62Å; E525-H596 IonicContact OE2-CE1 3.84Å; E525-H596 IonicContact OE2-NE2 2.79Å; E525-H596 PolarHBondContact OE2-NE2 3.15Å
597	D	65.2	Low	82.4	Confident	104 Å²	104	70.8 Å²	70.8	56%	0.556	35%	0.346	S	S	*	.			trans	-75.6	128.1	164.5	-71.6	-48.1	0	0	0	108.4	N595 N599	N595-D597 PolarHBondContact O-N 3.01Å; D597-N599 PolarHBondContact O-N 2.76Å
598	H	54.5	Low	82.4	Confident	192 Å²	192	70.9 Å²	70.9	89%	0.889	35%	0.346	S	S	*	.	S	Bend	trans	-66.3	6.4	-170.7	-73.9	-65.9	0	0	0	115.8
599	N	54.6	Low	82.3	Confident	150 Å²	150	71.3 Å²	71.3	80%	0.802	35%	0.348	S	S	*	.	S	Bend	trans	-135.8	114.8	173.8	-82.3	-59.1	0	0	0	110.4	D597	D597-N599 PolarHBondContact O-N 2.76Å
600	H	55.3	Low	82.1	Confident	179 Å²	179	72.6 Å²	72.6	83%	0.829	36%	0.355	S	S	*	.	S	Bend	trans	65.4	131.3	-179.4	-107.3	-87.8	0	0	0	116.2	N602	H600-N602 VanDerWaalsContact C-N 3.32Å; H600-N602 PolarHBondContact O-N 3.24Å
601	N	58.9	Low	81.8	Confident	161 Å²	161	78.1 Å²	78.1	86%	0.861	39%	0.385	S	S	*	.			trans	-66.9	82.3	176	-67	-7.5	0	0	0	111.4	K603	N601-K603 VanDerWaalsContact C-N 3.3Å; N601-K603 PolarHBondContact O-N 3.31Å
602	N	73.2	Confident	81.5	Confident	91 Å²	91	81.9 Å²	81.9	49%	0.487	40%	0.402	S	S	.	.			trans	-78.8	78	-178.7	-166.5	12.7	0	0	0	111.2	H600 I604	H600-N602 VanDerWaalsContact C-N 3.32Å; H600-N602 PolarHBondContact O-N 3.24Å; N602-I604 PolarHBondContact O-N 3.03Å
603	K	86.5	Confident	81.3	Confident	96 Å²	96	88.7 Å²	88.7	42%	0.417	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	111.1	175.3	-172.5	-162.4	-176.1	-165.7	0	109.7	T592 L594 N601 E605	T592-K603 HydrophobicContact CG2-CD 4.07Å; T592-K603 HydrophobicContact CG2-CG 3.48Å; T592-K603 VanDerWaalsContact CG2-CG 3.48Å; T592-K603 WeakPolarHBondContact OG1-CE 3.49Å; L594-K603 HydrophobicContact CD2-CB 4.43Å; L594-K603 HydrophobicContact CD2-CG 4.12Å; N601-K603 VanDerWaalsContact C-N 3.3Å; N601-K603 PolarHBondContact O-N 3.31Å; K603-E605 HydrophobicContact CD-CG 4.32Å; K603-E605 VanDerWaalsContact CE-OE1 3.31Å; K603-E605 WeakPolarHBondContact CE-OE1 3.49Å; K603-E605 IonicContact NZ-OE1 3.88Å; K603-E605 PolarHBondContact NZ-OE1 3.27Å
604	I	91.6	Very high	81.4	Confident	56 Å²	56	88.8 Å²	88.8	29%	0.287	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.2	175.7	-55.1	178.1	0	0	0	108.9	T592 A593 N602 Y606	T592-I604 CarbonylContact C-O 3.59Å; T592-I604 WeakPolarHBondContact CA-O 3.3Å; A593-I604 PolarHBondContact N-O 3.45Å; A593-I604 PolarHBondContact O-N 3.39Å; A593-I604 VanDerWaalsContact O-N 3.12Å; N602-I604 PolarHBondContact O-N 3.03Å; I604-Y606 HydrophobicContact CB-CE2 4.41Å; I604-Y606 HydrophobicContact CG2-CD2 4.46Å; I604-Y606 HydrophobicContact CG2-CE1 4.31Å; I604-Y606 HydrophobicContact CG2-CE2 3.7Å
605	E	94.8	Very high	81.9	Confident	81 Å²	81	86 Å²	86	38%	0.379	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.4	178.3	-65.3	-173	-177.8	0	0	111.7	K603 W607	K603-E605 HydrophobicContact CD-CG 4.32Å; K603-E605 VanDerWaalsContact CE-OE1 3.31Å; K603-E605 WeakPolarHBondContact CE-OE1 3.49Å; K603-E605 IonicContact NZ-OE1 3.88Å; K603-E605 PolarHBondContact NZ-OE1 3.27Å; E605-W607 PolarHBondContact OE2-NE1 3.19Å
606	Y	96.3	Very high	82.9	Confident	52 Å²	52	84.6 Å²	84.6	20%	0.204	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.9	171	-57.1	-83.5	0	0	0	108.6	Y491 I522 C590 F591 A593 I604	Y491-Y606 AromaticContact CD2-CD1 3.5Å; Y491-Y606 HydrophobicContact CD2-CD1 3.5Å; Y491-Y606 VanDerWaalsContact CD2-CD1 3.5Å; Y491-Y606 AromaticContact CD2-CE1 3.37Å; Y491-Y606 HydrophobicContact CD2-CE1 3.37Å; Y491-Y606 HydrophobicContact CD2-CG 4.33Å; Y491-Y606 HydrophobicContact CE2-CD1 4.3Å; Y491-Y606 AromaticContact CE2-CE1 3.79Å; Y491-Y606 HydrophobicContact CE2-CE1 3.79Å; Y491-Y606 AromaticContact CG-CD1 4Å; Y491-Y606 HydrophobicContact CG-CD1 4Å; Y491-Y606 AromaticContact CG-CE1 3.92Å; Y491-Y606 HydrophobicContact CG-CE1 3.92Å; Y491-Y606 HydrophobicContact CG-CG 4.42Å; I522-Y606 HydrophobicContact CD1-CD2 4.43Å; I522-Y606 HydrophobicContact CD1-CE2 3.54Å; C590-Y606 CarbonylContact C-O 3.55Å; C590-Y606 WeakPolarHBondContact CA-O 3.48Å; F591-Y606 AromaticContact CD1-CD2 3.83Å; F591-Y606 HydrophobicContact CD1-CD2 3.83Å; F591-Y606 HydrophobicContact CD1-CG 4.46Å; F591-Y606 HydrophobicContact CE1-CD2 4.14Å; F591-Y606 HydrophobicContact CE1-CE2 4.44Å; F591-Y606 HydrophobicContact CG-CD2 4.43Å; F591-Y606 PolarHBondContact N-O 3.2Å; F591-Y606 PolarHBondContact O-N 3.34Å; A593-Y606 HydrophobicContact CB-CE2 4.23Å; I604-Y606 HydrophobicContact CB-CE2 4.41Å; I604-Y606 HydrophobicContact CG2-CD2 4.46Å; I604-Y606 HydrophobicContact CG2-CE1 4.31Å; I604-Y606 HydrophobicContact CG2-CE2 3.7Å
607	W	97.1	Very high	84.5	Confident	57 Å²	57	77.9 Å²	77.9	22%	0.216	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131	-173.3	-77.4	89.6	0	0	0	111.6	A380 F529 R531 A588 I589 C590 E605	A380-W607 HydrophobicContact CB-CB 4.15Å; F529-W607 AromaticContact CE2-CH2 3.75Å; F529-W607 HydrophobicContact CE2-CH2 3.75Å; F529-W607 HydrophobicContact CE2-CZ2 4.29Å; F529-W607 AromaticContact CZ-CH2 3.92Å; F529-W607 HydrophobicContact CZ-CH2 3.92Å; F529-W607 AromaticContact CZ-CZ2 3.99Å; F529-W607 HydrophobicContact CZ-CZ2 3.99Å; R531-W607 HydrophobicContact CB-CH2 4.11Å; R531-W607 HydrophobicContact CB-CZ3 4.02Å; A588-W607 HydrophobicContact CB-CE3 4.18Å; A588-W607 HydrophobicContact CB-CZ3 4.23Å; I589-W607 WeakPolarHBondContact O-CA 3.11Å; C590-W607 HydrophobicContact CB-CD2 3.85Å; C590-W607 HydrophobicContact CB-CE3 3.85Å; C590-W607 HydrophobicContact CB-CH2 3.71Å; C590-W607 HydrophobicContact CB-CZ2 3.7Å; C590-W607 HydrophobicContact CB-CZ3 3.78Å; C590-W607 VanDerWaalsContact SG-CE2 3.59Å; E605-W607 PolarHBondContact OE2-NE1 3.19Å
608	D	97.3	Very high	85.8	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.011	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109	163.8	170.3	12.3	0	0	0	109.2	K486 I492 S493 L494 A588 I589 N610 Y615	K486-D608 VanDerWaalsContact CE-CG 3.44Å; K486-D608 VanDerWaalsContact CE-OD1 3.29Å; K486-D608 WeakPolarHBondContact CE-OD1 3.4Å; K486-D608 WeakPolarHBondContact CE-OD2 3.2Å; K486-D608 IonicContact NZ-OD1 2.65Å; K486-D608 PolarHBondContact NZ-OD1 3.35Å; K486-D608 IonicContact NZ-OD2 3.22Å; K486-D608 PolarHBondContact NZ-OD2 2.92Å; I492-D608 HydrophobicContact CG2-CB 4.13Å; S493-D608 VanDerWaalsContact CA-OD2 3.29Å; S493-D608 WeakPolarHBondContact CA-OD2 3.4Å; L494-D608 PolarHBondContact N-OD2 3.04Å; L494-D608 VanDerWaalsContact N-OD2 3.07Å; A588-D608 WeakPolarHBondContact CA-O 3.32Å; I589-D608 HydrophobicContact CD1-CB 4.09Å; I589-D608 HydrophobicContact CG1-CB 3.63Å; I589-D608 PolarHBondContact N-O 3Å; I589-D608 PolarHBondContact O-N 2.95Å; D608-N610 PolarHBondContact OD1-N 3.39Å; D608-Y615 WeakPolarHBondContact OD1-CE2 3.37Å; D608-Y615 PolarHBondContact OD1-OH 3.14Å; D608-Y615 PolarHBondContact OD2-OH 3.25Å; D608-Y615 VanDerWaalsContact OD2-OH 3.1Å
609	N	95.5	Very high	87.6	Confident	14 Å²	14	66.9 Å²	66.9	8%	0.075	33%	0.326	C	S	.	.			trans	-110.4	24.6	177.7	68.7	-5.9	0	0	0	112.1	A380 A588 N611 H612 N614	A380-N609 WeakPolarHBondContact CB-ND2 3.38Å; A588-N609 HydrophobicContact CB-CB 4.2Å; N609-N611 PolarHBondContact O-N 3.3Å; N609-N611 PolarHBondContact OD1-N 3.09Å; N609-H612 WeakPolarHBondContact ND2-CA 3.44Å; N609-H612 PolarHBondContact ND2-N 3.12Å; N609-H612 PolarHBondContact ND2-ND1 2.9Å; N609-H612 PolarHBondContact O-N 3.49Å; N609-H612 PolarHBondContact OD1-N 3.38Å; N609-N614 WeakPolarHBondContact O-CA 3.45Å; N609-N614 PolarHBondContact O-N 3.06Å
610	N	94.6	Very high	89.2	Confident	26 Å²	26	65.1 Å²	65.1	14%	0.139	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	52.3	-175.6	-170.3	48.2	0	0	0	113.5	D608 H612 E613 N614 Y615	D608-N610 PolarHBondContact OD1-N 3.39Å; N610-H612 VanDerWaalsContact C-N 3.34Å; N610-H612 PolarHBondContact O-N 2.95Å; N610-E613 PolarHBondContact O-N 3.38Å; N610-N614 WeakPolarHBondContact CB-O 2.93Å; N610-N614 PolarHBondContact ND2-O 3.37Å; N610-N614 VanDerWaalsContact ND2-O 3.08Å; N610-Y615 HydrophobicContact CB-CD1 3.77Å; N610-Y615 HydrophobicContact CB-CD2 4.08Å; N610-Y615 HydrophobicContact CB-CE1 3.62Å; N610-Y615 HydrophobicContact CB-CE2 3.95Å; N610-Y615 HydrophobicContact CB-CG 3.99Å; N610-Y615 WeakPolarHBondContact OD1-CE1 3.47Å
611	N	91.6	Very high	90.7	Very high	117 Å²	117	62.8 Å²	62.8	63%	0.626	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	48	-179	-53.3	-12.5	0	0	0	112.4	N609 E613	N609-N611 PolarHBondContact O-N 3.3Å; N609-N611 PolarHBondContact OD1-N 3.09Å; N611-E613 PolarHBondContact O-N 3.07Å; N611-E613 VanDerWaalsContact O-N 3.14Å
612	H	90.1	Very high	91.8	Very high	79 Å²	79	56.3 Å²	56.3	37%	0.366	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	-1.5	178.1	-54.6	45.4	0	0	0	115.8	D381 N609 N610	D381-H612 IonicContact OD1-CE1 3.79Å; D381-H612 IonicContact OD1-NE2 2.75Å; D381-H612 PolarHBondContact OD1-NE2 3.4Å; D381-H612 IonicContact OD2-CD2 3.61Å; D381-H612 IonicContact OD2-CE1 3.28Å; D381-H612 IonicContact OD2-NE2 2.76Å; D381-H612 PolarHBondContact OD2-NE2 3.46Å; N609-H612 WeakPolarHBondContact ND2-CA 3.44Å; N609-H612 PolarHBondContact ND2-N 3.12Å; N609-H612 PolarHBondContact ND2-ND1 2.9Å; N609-H612 PolarHBondContact O-N 3.49Å; N609-H612 PolarHBondContact OD1-N 3.38Å; N610-H612 VanDerWaalsContact C-N 3.34Å; N610-H612 PolarHBondContact O-N 2.95Å
613	E	92.2	Very high	91.8	Very high	142 Å²	142	59.8 Å²	59.8	66%	0.664	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.2	173.8	-60.4	-170.5	147	0	0	113.8	N610 N611 I616	N610-E613 PolarHBondContact O-N 3.38Å; N611-E613 PolarHBondContact O-N 3.07Å; N611-E613 VanDerWaalsContact O-N 3.14Å; E613-I616 WeakPolarHBondContact O-CD1 3.34Å
614	N	95.4	Very high	90.5	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	27%	0.268	C	S	.	.			trans	60.2	164.6	-163.4	-61.9	-39.7	0	0	0	113.7	W537 E586 N609 N610 I616	W537-N614 PolarHBondContact NE1-ND2 2.91Å; E586-N614 HydrophobicContact CB-CB 4.47Å; E586-N614 PolarHBondContact OE2-ND2 3.18Å; N609-N614 WeakPolarHBondContact O-CA 3.45Å; N609-N614 PolarHBondContact O-N 3.06Å; N610-N614 WeakPolarHBondContact CB-O 2.93Å; N610-N614 PolarHBondContact ND2-O 3.37Å; N610-N614 VanDerWaalsContact ND2-O 3.08Å; N614-I616 HydrophobicContact CB-CG1 4.49Å; N614-I616 PolarHBondContact O-N 3.14Å
615	Y	97.3	Very high	89	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	105.4	168.6	-72.6	-63.8	0	0	0	109.1	F473 P476 K486 L494 E586 F587 D608 N610	F473-Y615 AromaticContact CD1-CD1 3.88Å; F473-Y615 HydrophobicContact CD1-CD1 3.88Å; F473-Y615 AromaticContact CD2-CD1 3.66Å; F473-Y615 HydrophobicContact CD2-CD1 3.66Å; F473-Y615 AromaticContact CD2-CE1 3.91Å; F473-Y615 HydrophobicContact CD2-CE1 3.91Å; F473-Y615 AromaticContact CE1-CD1 3.72Å; F473-Y615 HydrophobicContact CE1-CD1 3.72Å; F473-Y615 HydrophobicContact CE1-CG 4.24Å; F473-Y615 AromaticContact CE2-CD1 3.48Å; F473-Y615 HydrophobicContact CE2-CD1 3.48Å; F473-Y615 VanDerWaalsContact CE2-CD1 3.48Å; F473-Y615 AromaticContact CE2-CE1 3.92Å; F473-Y615 HydrophobicContact CE2-CE1 3.92Å; F473-Y615 HydrophobicContact CE2-CG 4.43Å; F473-Y615 AromaticContact CG-CD1 3.86Å; F473-Y615 HydrophobicContact CG-CD1 3.86Å; F473-Y615 HydrophobicContact CG-CE1 4.35Å; F473-Y615 AromaticContact CZ-CD1 3.49Å; F473-Y615 HydrophobicContact CZ-CD1 3.49Å; F473-Y615 VanDerWaalsContact CZ-CD1 3.49Å; F473-Y615 HydrophobicContact CZ-CE1 4.38Å; F473-Y615 HydrophobicContact CZ-CG 4.08Å; P476-Y615 HydrophobicContact CG-CE1 4.16Å; K486-Y615 PolarHBondContact NZ-OH 3.25Å; K486-Y615 VanDerWaalsContact NZ-OH 3.09Å; L494-Y615 HydrophobicContact CB-CE1 4.46Å; L494-Y615 HydrophobicContact CB-CE2 3.76Å; L494-Y615 HydrophobicContact CD2-CD1 3.91Å; L494-Y615 HydrophobicContact CD2-CD2 4.13Å; L494-Y615 HydrophobicContact CD2-CE1 3.82Å; L494-Y615 HydrophobicContact CD2-CE2 4.04Å; L494-Y615 HydrophobicContact CD2-CG 4.07Å; E586-Y615 CarbonylContact C-O 3.52Å; E586-Y615 WeakPolarHBondContact CA-O 3.4Å; F587-Y615 VanDerWaalsContact CD1-O 3.31Å; F587-Y615 WeakPolarHBondContact CD1-O 3.5Å; F587-Y615 HydrophobicContact CD2-CD2 4.23Å; F587-Y615 HydrophobicContact CD2-CG 4.48Å; F587-Y615 VanDerWaalsContact CE1-CB 3.43Å; F587-Y615 HydrophobicContact CE1-CG 4.43Å; F587-Y615 AromaticContact CE2-CD2 3.78Å; F587-Y615 HydrophobicContact CE2-CD2 3.78Å; F587-Y615 AromaticContact CE2-CG 3.91Å; F587-Y615 HydrophobicContact CE2-CG 3.91Å; F587-Y615 HydrophobicContact CZ-CD2 4.23Å; F587-Y615 AromaticContact CZ-CG 3.89Å; F587-Y615 HydrophobicContact CZ-CG 3.89Å; F587-Y615 PolarHBondContact N-O 2.98Å; F587-Y615 WeakPolarHBondContact O-CB 3.14Å; F587-Y615 PolarHBondContact O-N 3.25Å; D608-Y615 WeakPolarHBondContact OD1-CE2 3.37Å; D608-Y615 PolarHBondContact OD1-OH 3.14Å; D608-Y615 PolarHBondContact OD2-OH 3.25Å; D608-Y615 VanDerWaalsContact OD2-OH 3.1Å; N610-Y615 HydrophobicContact CB-CD1 3.77Å; N610-Y615 HydrophobicContact CB-CD2 4.08Å; N610-Y615 HydrophobicContact CB-CE1 3.62Å; N610-Y615 HydrophobicContact CB-CE2 3.95Å; N610-Y615 HydrophobicContact CB-CG 3.99Å; N610-Y615 WeakPolarHBondContact OD1-CE1 3.47Å
616	I	96.1	Very high	87.3	Confident	32 Å²	32	62.7 Å²	62.7	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.4	-175.5	-45.9	-175.3	0	0	0	111.1	T472 F473 K584 I585 E586 E613 N614 E618	T472-I616 HydrophobicContact CG2-CB 4.08Å; T472-I616 HydrophobicContact CG2-CG2 4.13Å; T472-I616 PolarHBondContact N-O 3.36Å; T472-I616 VanDerWaalsContact N-O 3.16Å; T472-I616 PolarHBondContact OG1-O 2.78Å; T472-I616 VanDerWaalsContact OG1-O 3.05Å; F473-I616 WeakPolarHBondContact CD1-O 3.33Å; F473-I616 WeakPolarHBondContact CE1-O 3.46Å; K584-I616 HydrophobicContact CB-CG2 4.36Å; K584-I616 HydrophobicContact CD-CG2 4.24Å; I585-I616 WeakPolarHBondContact O-CA 3.46Å; E586-I616 HydrophobicContact CG-CG1 4.22Å; E586-I616 HydrophobicContact CG-CG2 4.39Å; E613-I616 WeakPolarHBondContact O-CD1 3.34Å; N614-I616 HydrophobicContact CB-CG1 4.49Å; N614-I616 PolarHBondContact O-N 3.14Å; I616-E618 HydrophobicContact CG2-CG 3.94Å
617	I	95.5	Very high	85.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.2	171.2	-41.5	-175.9	0	0	0	108.2	W469 S470 L471 I497 I499 L513 I585 F587	W469-I617 HydrophobicContact CB-CG2 4.45Å; W469-I617 HydrophobicContact CE3-CB 4.47Å; W469-I617 HydrophobicContact CE3-CG2 3.97Å; S470-I617 WeakPolarHBondContact O-CA 3.38Å; S470-I617 VanDerWaalsContact O-CG2 3.3Å; S470-I617 WeakPolarHBondContact O-CG2 3.3Å; L471-I617 HydrophobicContact CD2-CD1 4.24Å; L471-I617 HydrophobicContact CD2-CG1 4.16Å; I497-I617 HydrophobicContact CD1-CD1 4.22Å; I499-I617 HydrophobicContact CD1-CG2 3.53Å; I499-I617 HydrophobicContact CG1-CG2 4.44Å; L513-I617 HydrophobicContact CD1-CD1 3.6Å; L513-I617 HydrophobicContact CD2-CD1 3.54Å; L513-I617 HydrophobicContact CG-CD1 4.24Å; I585-I617 HydrophobicContact CB-CB 4.32Å; I585-I617 PolarHBondContact N-O 2.98Å; I585-I617 PolarHBondContact O-N 2.85Å; F587-I617 HydrophobicContact CE1-CD1 4.12Å; F587-I617 HydrophobicContact CE1-CG1 4.31Å
618	E	93.9	Very high	83	Confident	49 Å²	49	64.1 Å²	64.1	23%	0.229	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.4	-174.1	-62.7	-179.4	158.3	0	0	111.5	S470 T472 K584 I616	S470-E618 PolarHBondContact N-O 3.06Å; S470-E618 PolarHBondContact O-N 3.2Å; S470-E618 PolarHBondContact OG-O 3.14Å; T472-E618 HydrophobicContact CG2-CB 4.3Å; T472-E618 VanDerWaalsContact CG2-CD 3.41Å; T472-E618 HydrophobicContact CG2-CG 3.6Å; T472-E618 WeakPolarHBondContact CG2-OE2 3.43Å; K584-E618 HydrophobicContact CD-CG 4.18Å; K584-E618 WeakPolarHBondContact CD-OE1 3.43Å; K584-E618 WeakPolarHBondContact CE-OE1 3.05Å; K584-E618 HydrophobicContact CG-CG 4.25Å; K584-E618 IonicContact NZ-OE1 2.73Å; K584-E618 PolarHBondContact NZ-OE1 3.38Å; I616-E618 HydrophobicContact CG2-CG 3.94Å
619	Q	91.5	Very high	80.8	Confident	17 Å²	17	69 Å²	69	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.2	169.3	-68.1	-175.3	50.7	0	0	111.6	Y467 I468 W469 D580	Y467-Q619 VanDerWaalsContact CB-OE1 3.24Å; Y467-Q619 HydrophobicContact CD1-CB 4.08Å; I468-Q619 CarbonylContact O-C 3.59Å; I468-Q619 WeakPolarHBondContact O-CA 3.24Å; W469-Q619 HydrophobicContact CD2-CG 3.6Å; W469-Q619 VanDerWaalsContact CE2-CG 3.47Å; W469-Q619 HydrophobicContact CE3-CG 3.9Å; W469-Q619 HydrophobicContact CG-CG 4.13Å; W469-Q619 HydrophobicContact CH2-CG 4.04Å; W469-Q619 HydrophobicContact CZ2-CG 3.73Å; W469-Q619 VanDerWaalsContact CZ2-NE2 3.33Å; W469-Q619 HydrophobicContact CZ3-CG 4.1Å; D580-Q619 PolarHBondContact O-NE2 3.37Å
620	R	88.6	Confident	78.8	Confident	112 Å²	112	70 Å²	70	42%	0.423	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.4	171.8	-70.1	178.4	-172	133.1	17.2	109.7	Y467 I468 S470 L471 L622	Y467-R620 WeakPolarHBondContact CA-O 3.26Å; I468-R620 HydrophobicContact CG2-CB 4.41Å; I468-R620 PolarHBondContact N-O 2.99Å; I468-R620 PolarHBondContact O-N 2.91Å; S470-R620 WeakPolarHBondContact OG-CD 3.43Å; S470-R620 VanDerWaalsContact OG-CG 3.29Å; S470-R620 WeakPolarHBondContact OG-CG 3.41Å; S470-R620 PolarHBondContact OG-NE 2.8Å; S470-R620 VanDerWaalsContact OG-NE 3.16Å; S470-R620 PolarHBondContact OG-NH1 2.89Å; S470-R620 VanDerWaalsContact OG-NH1 3.15Å; L471-R620 PolarHBondContact O-NH1 2.76Å; L471-R620 PolarHBondContact O-NH2 3.08Å; R620-L622 PolarHBondContact O-N 3.45Å
621	K	87.4	Confident	76.2	Confident	130 Å²	130	72.4 Å²	72.4	57%	0.565	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	114.3	176.7	177.2	153.6	171.8	148.1	0	110	S465 Y467	S465-K621 PolarHBondContact OG-NZ 2.82Å; Y467-K621 HydrophobicContact CD1-CB 4.21Å; Y467-K621 HydrophobicContact CE1-CB 3.78Å; Y467-K621 HydrophobicContact CE1-CD 4.49Å
622	L	80.8	Confident	73.8	Confident	25 Å²	25	71.2 Å²	71.2	13%	0.131	34%	0.337	C	S	.	.			trans	-66.3	137	174.8	-73	177	0	0	0	110.3	H466 I468 R620 F626 M627 I630	H466-L622 HydrophobicContact CB-CB 4.39Å; H466-L622 HydrophobicContact CB-CD1 4.29Å; H466-L622 PolarHBondContact O-N 3.13Å; I468-L622 HydrophobicContact CB-CD1 4.22Å; I468-L622 HydrophobicContact CB-CD2 4.2Å; I468-L622 HydrophobicContact CB-CG 4.06Å; I468-L622 HydrophobicContact CD1-CD2 4.45Å; I468-L622 HydrophobicContact CG2-CD2 3.65Å; I468-L622 HydrophobicContact CG2-CG 3.9Å; R620-L622 PolarHBondContact O-N 3.45Å; L622-F626 HydrophobicContact CD2-CB 4.37Å; L622-M627 HydrophobicContact CB-CE 4.35Å; L622-I630 HydrophobicContact CD1-CD1 3.87Å
623	R	73	Confident	71.4	Confident	165 Å²	165	74.1 Å²	74.1	62%	0.623	35%	0.351	S	S	*	.			trans	-77.7	143.2	168.1	-61.3	-177.1	-180	-176.6	-0.4	109	I625 F626	R623-I625 PolarHBondContact O-N 3.4Å; R623-F626 HydrophobicContact CB-CD2 4.16Å; R623-F626 PolarHBondContact O-N 3.36Å
624	P	60.2	Low	68.8	Low	65 Å²	65	69.8 Å²	69.8	42%	0.422	33%	0.331	S	S	.	.	H	α-helix	trans	-53.9	-29.9	-174.4	-30.2	36.9	0	0	0	115.5	I463 F626 M627 N628	I463-P624 HydrophobicContact CG2-CG 3.99Å; P624-F626 PolarHBondContact O-N 2.7Å; P624-M627 WeakPolarHBondContact O-CB 3.13Å; P624-M627 PolarHBondContact O-N 2.99Å; P624-M627 VanDerWaalsContact O-N 3.14Å; P624-N628 PolarHBondContact O-N 3.46Å
625	I	60.5	Low	66	Low	128 Å²	128	72.8 Å²	72.8	66%	0.656	35%	0.353	S	S	*	.	H	α-helix	trans	-55.6	-37	175.7	-58.8	173.6	0	0	0	111.9	R623	R623-I625 PolarHBondContact O-N 3.4Å
626	F	57.9	Low	63.3	Low	101 Å²	101	79.7 Å²	79.7	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-78.9	-30.8	179.2	-66.9	-75.2	0	0	0	113.1	L622 R623 P624 N628 M629 I630	L622-F626 HydrophobicContact CD2-CB 4.37Å; R623-F626 HydrophobicContact CB-CD2 4.16Å; R623-F626 PolarHBondContact O-N 3.36Å; P624-F626 PolarHBondContact O-N 2.7Å; F626-N628 VanDerWaalsContact C-N 3.27Å; F626-N628 PolarHBondContact O-N 3.47Å; F626-M629 HydrophobicContact CD1-CE 3.75Å; F626-M629 HydrophobicContact CE1-CE 3.99Å; F626-M629 PolarHBondContact O-N 3.05Å; F626-M629 VanDerWaalsContact O-N 3.14Å; F626-I630 WeakPolarHBondContact O-CG1 3.31Å; F626-I630 PolarHBondContact O-N 3.26Å
627	M	58.1	Low	60.4	Low	29 Å²	29	83.2 Å²	83.2	14%	0.143	41%	0.412	C	S	.	.	H	α-helix	trans	-58.8	-43.1	175.4	-55.7	179.8	-164.6	0	0	110.4	H466 L622 P624 M629 I630 N631	H466-M627 HydrophobicContact CB-CE 3.63Å; H466-M627 HydrophobicContact CB-CG 4.39Å; H466-M627 HydrophobicContact CB-SD 4.09Å; L622-M627 HydrophobicContact CB-CE 4.35Å; P624-M627 WeakPolarHBondContact O-CB 3.13Å; P624-M627 PolarHBondContact O-N 2.99Å; P624-M627 VanDerWaalsContact O-N 3.14Å; M627-M629 VanDerWaalsContact C-N 3.33Å; M627-M629 PolarHBondContact O-N 2.95Å; M627-I630 PolarHBondContact O-N 2.89Å; M627-N631 WeakPolarHBondContact O-CB 3.31Å; M627-N631 PolarHBondContact O-N 2.95Å; M627-N631 PolarHBondContact O-OD1 3.11Å; M627-N631 VanDerWaalsContact O-OD1 3.12Å
628	N	44.7	Very low	57.5	Low	109 Å²	109	87.6 Å²	87.6	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-63.6	-34.5	177.2	-74.2	2.8	0	0	0	113.1	P624 F626 I632	P624-N628 PolarHBondContact O-N 3.46Å; F626-N628 VanDerWaalsContact C-N 3.27Å; F626-N628 PolarHBondContact O-N 3.47Å; N628-I632 WeakPolarHBondContact O-CB 3.38Å; N628-I632 VanDerWaalsContact O-CD1 3.31Å; N628-I632 WeakPolarHBondContact O-CD1 3.28Å; N628-I632 WeakPolarHBondContact O-CG1 3.35Å; N628-I632 PolarHBondContact O-N 2.87Å
629	M	51.7	Low	54.7	Low	105 Å²	105	92.2 Å²	92.2	52%	0.517	47%	0.469	S	S	.	.	H	α-helix	trans	-72.6	-42	177.7	-64.6	-159.9	-64.2	0	0	111.8	F626 M627 N631 I632 E633	F626-M629 HydrophobicContact CD1-CE 3.75Å; F626-M629 HydrophobicContact CE1-CE 3.99Å; F626-M629 PolarHBondContact O-N 3.05Å; F626-M629 VanDerWaalsContact O-N 3.14Å; M627-M629 VanDerWaalsContact C-N 3.33Å; M627-M629 PolarHBondContact O-N 2.95Å; M629-N631 VanDerWaalsContact C-N 3.29Å; M629-N631 PolarHBondContact O-N 3.28Å; M629-I632 PolarHBondContact O-N 2.83Å; M629-E633 PolarHBondContact O-N 3.04Å
630	I	53.2	Low	52.1	Low	34 Å²	34	98.9 Å²	98.9	17%	0.174	51%	0.505	C	S	.	.	H	α-helix	trans	-57.5	-44.6	173	-64.7	164.4	0	0	0	110.4	L622 F626 M627 E633 Q634	L622-I630 HydrophobicContact CD1-CD1 3.87Å; F626-I630 WeakPolarHBondContact O-CG1 3.31Å; F626-I630 PolarHBondContact O-N 3.26Å; M627-I630 PolarHBondContact O-N 2.89Å; I630-E633 PolarHBondContact O-N 3.46Å; I630-Q634 WeakPolarHBondContact O-CG 3.33Å; I630-Q634 PolarHBondContact O-N 3.43Å
631	N	40.7	Very low	49.2	Very low	78 Å²	78	102.3 Å²	102.3	42%	0.417	53%	0.528	S	S	.	.	H	α-helix	trans	-76.4	-20.9	-178.1	-62.3	9.3	0	0	0	113.6	M627 M629 Q634 S635	M627-N631 WeakPolarHBondContact O-CB 3.31Å; M627-N631 PolarHBondContact O-N 2.95Å; M627-N631 PolarHBondContact O-OD1 3.11Å; M627-N631 VanDerWaalsContact O-OD1 3.12Å; M629-N631 VanDerWaalsContact C-N 3.29Å; M629-N631 PolarHBondContact O-N 3.28Å; N631-Q634 PolarHBondContact OD1-OE1 3.42Å; N631-S635 PolarHBondContact O-N 3.27Å
632	I	41.6	Very low	46.7	Very low	91 Å²	91	103.8 Å²	103.8	47%	0.467	54%	0.541	S	S	.	.	H	α-helix	trans	-75.4	-40.7	172.8	-76	163.7	0	0	0	110.3	N628 M629 Q634 S635	N628-I632 WeakPolarHBondContact O-CB 3.38Å; N628-I632 VanDerWaalsContact O-CD1 3.31Å; N628-I632 WeakPolarHBondContact O-CD1 3.28Å; N628-I632 WeakPolarHBondContact O-CG1 3.35Å; N628-I632 PolarHBondContact O-N 2.87Å; M629-I632 PolarHBondContact O-N 2.83Å; I632-Q634 VanDerWaalsContact C-N 3.29Å; I632-Q634 PolarHBondContact O-N 3.16Å; I632-S635 PolarHBondContact O-N 3.38Å; I632-S635 VanDerWaalsContact O-N 3.09Å; I632-S635 PolarHBondContact O-OG 3.4Å
633	E	38.3	Very low	44.3	Very low	141 Å²	141	107.9 Å²	107.9	66%	0.659	57%	0.569	S	S	*	*	H	α-helix	trans	-64.5	-32.9	174.2	-68.5	-176.9	170.2	0	0	112.2	M629 I630 S635	M629-E633 PolarHBondContact O-N 3.04Å; I630-E633 PolarHBondContact O-N 3.46Å; E633-S635 VanDerWaalsContact C-N 3.3Å; E633-S635 PolarHBondContact O-N 2.68Å
634	Q	38.3	Very low	42.2	Very low	50 Å²	50	108 Å²	108	23%	0.234	58%	0.579	C	S	.	*	H	α-helix	trans	-56.6	-42.2	169.2	-72.8	169.2	-3.1	0	0	112.5	I630 N631 I632 Q636 S637 Y680	I630-Q634 WeakPolarHBondContact O-CG 3.33Å; I630-Q634 PolarHBondContact O-N 3.43Å; N631-Q634 PolarHBondContact OD1-OE1 3.42Å; I632-Q634 VanDerWaalsContact C-N 3.29Å; I632-Q634 PolarHBondContact O-N 3.16Å; Q634-Q636 VanDerWaalsContact C-N 3.34Å; Q634-Q636 PolarHBondContact O-N 3.09Å; Q634-S637 PolarHBondContact O-OG 3.42Å; Q634-Y680 WeakPolarHBondContact CG-OH 3.5Å; Q634-Y680 PolarHBondContact NE2-OH 3.4Å
635	S	37.7	Very low	40.9	Very low	68 Å²	68	110.3 Å²	110.3	48%	0.476	59%	0.592	S	S	.	*	H	α-helix	trans	-74	-15.9	-172.8	70.4	0	0	0	0	115.5	N631 I632 E633	N631-S635 PolarHBondContact O-N 3.27Å; I632-S635 PolarHBondContact O-N 3.38Å; I632-S635 VanDerWaalsContact O-N 3.09Å; I632-S635 PolarHBondContact O-OG 3.4Å; E633-S635 VanDerWaalsContact C-N 3.3Å; E633-S635 PolarHBondContact O-N 2.68Å
636	Q	38.7	Very low	39.3	Very low	145 Å²	145	114.2 Å²	114.2	68%	0.678	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	7.5	-172.7	-66.8	-176.4	6.2	0	0	114.3	Q634	Q634-Q636 VanDerWaalsContact C-N 3.34Å; Q634-Q636 PolarHBondContact O-N 3.09Å
637	S	37.1	Very low	38.2	Very low	105 Å²	105	117 Å²	117	73%	0.734	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	5.1	178.8	60.6	0	0	0	0	114.2	Q634	Q634-S637 PolarHBondContact O-OG 3.42Å
638	S	34.2	Very low	36.8	Very low	92 Å²	92	124.5 Å²	124.5	64%	0.643	65%	0.654	S	S	*	*			trans	-140.3	44.3	-172.3	67.1	0	0	0	0	114	D640	S638-D640 PolarHBondContact O-N 3.23Å
639	D	35.3	Very low	36.4	Very low	146 Å²	146	128.8 Å²	128.8	78%	0.781	67%	0.671	S	S	*	*			trans	-88.7	88.2	173.2	-90.5	-26.5	0	0	0	111.4
640	D	35.6	Very low	35.2	Very low	157 Å²	157	131.4 Å²	131.4	84%	0.84	69%	0.686	S	S	*	*			trans	-66.5	135.2	163.7	-101	-42	0	0	0	110.5	S638 L642	S638-D640 PolarHBondContact O-N 3.23Å; D640-L642 PolarHBondContact O-N 2.82Å
641	M	28.8	Very low	34	Very low	185 Å²	185	134.4 Å²	134.4	91%	0.911	71%	0.711	S	S	*	*			trans	-68.1	103.9	-172	-75.4	-172.1	65.1	0	0	113.7
642	L	35.2	Very low	33.6	Very low	160 Å²	160	136.6 Å²	136.6	84%	0.838	73%	0.727	S	S	*	*			trans	-119	112.3	163.1	-69.6	178.8	0	0	0	111.5	D640 M644	D640-L642 PolarHBondContact O-N 2.82Å; L642-M644 PolarHBondContact O-N 2.97Å; L642-M644 VanDerWaalsContact O-N 3.07Å
643	P	30.1	Very low	33	Very low	111 Å²	111	139.4 Å²	139.4	72%	0.721	74%	0.741	S	S	*	*			trans	-77.7	97.6	-177.7	30.9	-34	0	0	0	111.2	T645	P643-T645 PolarHBondContact O-N 2.9Å; P643-T645 PolarHBondContact O-OG1 3.48Å
644	M	28.7	Very low	32.6	Very low	168 Å²	168	137.9 Å²	137.9	83%	0.828	74%	0.737	S	S	*	*			trans	-55.6	112.1	173	-92.3	-56.7	-54.7	0	0	111.3	L642	L642-M644 PolarHBondContact O-N 2.97Å; L642-M644 VanDerWaalsContact O-N 3.07Å
645	T	33	Very low	32.3	Very low	114 Å²	114	143.4 Å²	143.4	70%	0.699	76%	0.761	S	S	*	*			trans	-90.7	120.4	175.5	-60.9	0	0	0	0	108.6	P643	P643-T645 PolarHBondContact O-N 2.9Å; P643-T645 PolarHBondContact O-OG1 3.48Å
646	Y	26.7	Very low	32.1	Very low	210 Å²	210	145.1 Å²	145.1	82%	0.824	77%	0.773	S	S	*	*			trans	-61.8	138	174.1	-70.8	-100.8	0	0	0	111
647	N	33.6	Very low	31.7	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	78%	0.776	S	S	*	*			trans	-151.9	118.6	147	-88.6	-40.7	0	0	0	108.1
648	E	30.3	Very low	31.3	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.864	78%	0.777	S	S	*	*			trans	-82.9	134.1	163.5	-61.3	175.6	116.5	0	0	108.1
649	E	35.4	Very low	31.2	Very low	199 Å²	199	149 Å²	149	93%	0.93	78%	0.78	S	S	*	*				-172	155.9	128.6	-105.8	174.8	-170.8	0	0	110.4
650	L	27.2	Very low	30.9	Very low	160 Å²	160	148.3 Å²	148.3	84%	0.838	78%	0.776	S	S	*	*			trans	-103.4	149.6	-169.4	-94.4	91.7	0	0	0	114
651	S	27	Very low	30.7	Very low	98 Å²	98	148.3 Å²	148.3	69%	0.685	78%	0.776	S	S	*	*			trans	83.5	155.1	143.4	79.4	0	0	0	0	120
652	T	32	Very low	30.7	Very low	124 Å²	124	143.4 Å²	143.4	76%	0.761	76%	0.76	S	S	*	*			trans	70.8	141.1	173	73.9	0	0	0	0	116.5
653	I	29	Very low	30.6	Very low	150 Å²	150	142.6 Å²	142.6	77%	0.769	76%	0.757	S	S	*	*			cis	-162.1	158.5	-35.4	-122.7	161.2	0	0	0	107.8
654	D	31.4	Very low	30.6	Very low	108 Å²	108	143.5 Å²	143.5	58%	0.578	76%	0.755	S	S	*	*			trans	65.1	113.8	162.6	-80.8	14.7	0	0	0	123.7
655	K	31.4	Very low	30.9	Very low	166 Å²	166	141.8 Å²	141.8	72%	0.722	76%	0.758	S	S	*	*				43.2	121.2	118	-50.7	177.5	-168.3	83.6	0	118.6
656	S	33.5	Very low	30.8	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	76%	0.759	S	S	*	*				169.4	150.5	94.4	50.6	0	0	0	0	115.3
657	I	30.8	Very low	31	Very low	144 Å²	144	139.6 Å²	139.6	74%	0.738	76%	0.757	S	S	*	*			trans	48.4	105.9	144.9	-61.4	164.7	0	0	0	117.3
658	N	28.5	Very low	31.1	Very low	142 Å²	142	139.3 Å²	139.3	76%	0.759	76%	0.755	S	S	*	*				84.3	155.9	58.6	-170.8	31.1	0	0	0	114.6
659	I	32.5	Very low	31.1	Very low	137 Å²	137	138 Å²	138	70%	0.703	75%	0.754	S	S	*	*			trans	101.8	97.7	168.9	-52.5	169.3	0	0	0	117.4
660	N	28.5	Very low	30.8	Very low	132 Å²	132	133.8 Å²	133.8	71%	0.706	75%	0.746	S	S	*	*			trans	-16.8	146.6	150.6	-42.8	-20.4	0	0	0	118.6
661	N	30.4	Very low	31	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	75%	0.747	S	S	*	*				-168.4	156.8	103.7	-103.8	-18.6	0	0	0	117.1
662	S	29.1	Very low	31.2	Very low	82 Å²	82	135.5 Å²	135.5	57%	0.573	75%	0.748	S	S	*	*			trans	-37.8	144.3	175.5	55.7	0	0	0	0	119.9
663	N	34	Very low	31	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	75%	0.754	S	S	*	*				159.1	105.7	118.2	-79.3	-36.6	0	0	0	109.6
664	N	29.3	Very low	31.1	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	75%	0.75	S	S	*	*				71.9	87.8	76.2	-172.6	23.2	0	0	0	114.2
665	C	36.2	Very low	31.1	Very low	132 Å²	132	138.4 Å²	138.4	89%	0.892	76%	0.76	S	S	*	*			trans	-139.4	129.5	157.1	-85.6	0	0	0	0	108.3
666	N	30.9	Very low	30.9	Very low	135 Å²	135	134.6 Å²	134.6	72%	0.722	75%	0.754	S	S	*	*			trans	-94.8	160.9	-177.7	-82	-29.1	0	0	0	112.7
667	N	30	Very low	30.7	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	76%	0.757	S	S	*	*			trans	68.6	133.4	169.2	-52.2	-17	0	0	0	113.9
668	N	35.8	Very low	30.8	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	74%	0.739	S	S	*	*			cis	-135.7	145.3	43.8	-73.1	-53.5	0	0	0	115.9	C670	N668-C670 PolarHBondContact O-N 2.71Å
669	N	30.1	Very low	30.8	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	73%	0.728	S	S	*	*			trans	-25.8	111.9	157.4	-177.8	36.2	0	0	0	116.3
670	C	30.1	Very low	30.8	Very low	112 Å²	112	127.5 Å²	127.5	76%	0.757	70%	0.703	S	S	*	*			trans	-174.7	120	151.5	-112.2	0	0	0	0	110.8	N668	N668-C670 PolarHBondContact O-N 2.71Å
671	N	30.6	Very low	31	Very low	160 Å²	160	126.7 Å²	126.7	86%	0.856	70%	0.699	S	S	*	*			trans	177.8	142.7	136.7	-94.4	-17.3	0	0	0	110.6
672	N	30.3	Very low	31.5	Very low	133 Å²	133	122.5 Å²	122.5	71%	0.711	68%	0.675	S	S	*	*			trans	-86.5	136.1	-171.1	-60.1	-36	0	0	0	112.1	N674	N672-N674 WeakPolarHBondContact CB-OD1 3.43Å; N672-N674 PolarHBondContact O-N 3.1Å
673	N	29.3	Very low	31.4	Very low	166 Å²	166	121.8 Å²	121.8	89%	0.888	67%	0.669	S	S	*	*			trans	-75.4	71.1	163.9	-70.5	-12.1	0	0	0	109.6	D675	N673-D675 PolarHBondContact O-N 2.85Å
674	N	30.4	Very low	31.3	Very low	128 Å²	128	118 Å²	118	68%	0.684	65%	0.654	S	S	*	*			trans	-86.6	91.4	173.3	-75.6	-1.7	0	0	0	109.3	N672 C676	N672-N674 WeakPolarHBondContact CB-OD1 3.43Å; N672-N674 PolarHBondContact O-N 3.1Å; N674-C676 PolarHBondContact O-N 2.98Å
675	D	31	Very low	31.3	Very low	150 Å²	150	119.5 Å²	119.5	80%	0.802	65%	0.651	S	S	*	*			trans	-59.4	110.3	166.8	-79.1	-41.2	0	0	0	109.2	N673 N677	N673-D675 PolarHBondContact O-N 2.85Å; D675-N677 PolarHBondContact O-N 2.92Å
676	C	28.5	Very low	31.3	Very low	86 Å²	86	116.7 Å²	116.7	58%	0.581	63%	0.63	S	S	*	*			trans	-76.4	92.1	-174	51.2	0	0	0	0	111.1	N674 I678	N674-C676 PolarHBondContact O-N 2.98Å; C676-I678 VanDerWaalsContact C-N 3.26Å; C676-I678 HydrophobicContact CB-CG1 4.49Å; C676-I678 PolarHBondContact O-N 3.39Å
677	N	29.3	Very low	31.4	Very low	150 Å²	150	117 Å²	117	80%	0.802	63%	0.631	S	S	*	*			trans	-66.6	81.5	168.1	-77.1	-42.2	0	0	0	110.8	D675 E679	D675-N677 PolarHBondContact O-N 2.92Å; N677-E679 PolarHBondContact O-N 3.17Å; N677-E679 VanDerWaalsContact O-N 3.17Å
678	I	31.2	Very low	31.4	Very low	69 Å²	69	113 Å²	113	35%	0.354	61%	0.609	S	S	.	*			trans	-72	105.3	173.6	-54.4	177.1	0	0	0	108.1	C676 Y680	C676-I678 VanDerWaalsContact C-N 3.26Å; C676-I678 HydrophobicContact CB-CG1 4.49Å; C676-I678 PolarHBondContact O-N 3.39Å; I678-Y680 HydrophobicContact CB-CE2 4Å; I678-Y680 HydrophobicContact CG2-CD2 4.29Å; I678-Y680 HydrophobicContact CG2-CE1 4.46Å; I678-Y680 HydrophobicContact CG2-CE2 3.52Å; I678-Y680 WeakPolarHBondContact O-CD2 3.36Å; I678-Y680 PolarHBondContact O-N 3.19Å
679	E	28.3	Very low	31.3	Very low	115 Å²	115	111.3 Å²	111.3	54%	0.537	61%	0.609	S	S	.	*			trans	-86.2	93.9	-168.6	-164.4	172.6	-141.1	0	0	112.4	I500 K512 N677 N681	I500-E679 HydrophobicContact CG2-CG 3.62Å; K512-E679 IonicContact NZ-OE1 3.59Å; K512-E679 PolarHBondContact NZ-OE1 3.46Å; N677-E679 PolarHBondContact O-N 3.17Å; N677-E679 VanDerWaalsContact O-N 3.17Å; E679-N681 PolarHBondContact O-N 2.81Å
680	Y	34	Very low	31.5	Very low	44 Å²	44	111.9 Å²	111.9	17%	0.173	60%	0.599	C	S	.	*			trans	-78	108.8	176.6	-69.5	-79.1	0	0	0	112.8	T503 Q634 I678 I682	T503-Y680 HydrophobicContact CG2-CD2 4.3Å; T503-Y680 WeakPolarHBondContact OG1-CD2 3.39Å; T503-Y680 WeakPolarHBondContact OG1-CE2 3.21Å; Q634-Y680 WeakPolarHBondContact CG-OH 3.5Å; Q634-Y680 PolarHBondContact NE2-OH 3.4Å; I678-Y680 HydrophobicContact CB-CE2 4Å; I678-Y680 HydrophobicContact CG2-CD2 4.29Å; I678-Y680 HydrophobicContact CG2-CE1 4.46Å; I678-Y680 HydrophobicContact CG2-CE2 3.52Å; I678-Y680 WeakPolarHBondContact O-CD2 3.36Å; I678-Y680 PolarHBondContact O-N 3.19Å; Y680-I682 PolarHBondContact O-N 3.38Å; Y680-I682 VanDerWaalsContact O-N 3.13Å
681	N	32.9	Very low	31.5	Very low	115 Å²	115	110.7 Å²	110.7	62%	0.615	59%	0.59	S	S	*	*			trans	-72.1	92.9	152.4	-84.5	-50.8	0	0	0	108.8	E679 P683	E679-N681 PolarHBondContact O-N 2.81Å; N681-P683 WeakPolarHBondContact O-CD 3.31Å; N681-P683 VanDerWaalsContact O-N 3.16Å
682	I	39.8	Very low	31.6	Very low	69 Å²	69	109 Å²	109	35%	0.354	58%	0.581	S	S	.	*			trans	-60.8	114.7	156.1	-56.2	172.5	0	0	0	105.4	I468 Y680 S684	I468-I682 HydrophobicContact CD1-CD1 3.85Å; I468-I682 HydrophobicContact CG1-CD1 4.21Å; Y680-I682 PolarHBondContact O-N 3.38Å; Y680-I682 VanDerWaalsContact O-N 3.13Å; I682-S684 PolarHBondContact O-N 2.87Å
683	P	28.3	Very low	31.7	Very low	67 Å²	67	107.3 Å²	107.3	44%	0.435	57%	0.567	S	S	.	*			trans	-66.4	140.5	-168.4	27.3	-35.3	0	0	0	110.4	N681 Y685	N681-P683 WeakPolarHBondContact O-CD 3.31Å; N681-P683 VanDerWaalsContact O-N 3.16Å; P683-Y685 HydrophobicContact CB-CD1 3.85Å; P683-Y685 HydrophobicContact CB-CE1 3.52Å; P683-Y685 HydrophobicContact CG-CD1 4.13Å; P683-Y685 HydrophobicContact CG-CE1 3.49Å; P683-Y685 VanDerWaalsContact CG-CE1 3.49Å; P683-Y685 HydrophobicContact CG-CE2 4.42Å; P683-Y685 PolarHBondContact O-N 3.09Å
684	S	32	Very low	31.7	Very low	65 Å²	65	107.5 Å²	107.5	46%	0.455	57%	0.568	S	S	.	*	S	Bend	trans	-66.1	3	-165.2	-42.3	0	0	0	0	116.1	Q475 I682	Q475-S684 WeakPolarHBondContact CG-O 3.33Å; Q475-S684 PolarHBondContact NE2-O 3.09Å; Q475-S684 VanDerWaalsContact NE2-O 3.09Å; I682-S684 PolarHBondContact O-N 2.87Å
685	Y	29.3	Very low	31.7	Very low	159 Å²	159	104.6 Å²	104.6	62%	0.624	57%	0.568	S	S	*	*	S	Bend	trans	-82.6	124.6	169.1	62.2	-96.4	0	0	0	110.4	P683 L687	P683-Y685 HydrophobicContact CB-CD1 3.85Å; P683-Y685 HydrophobicContact CB-CE1 3.52Å; P683-Y685 HydrophobicContact CG-CD1 4.13Å; P683-Y685 HydrophobicContact CG-CE1 3.49Å; P683-Y685 VanDerWaalsContact CG-CE1 3.49Å; P683-Y685 HydrophobicContact CG-CE2 4.42Å; P683-Y685 PolarHBondContact O-N 3.09Å; Y685-L687 PolarHBondContact O-N 2.88Å
686	T	35.7	Very low	31.6	Very low	74 Å²	74	104 Å²	104	45%	0.454	56%	0.559	S	S	.	*			trans	-57.5	129.8	159.1	43.5	0	0	0	0	108.6	D688	T686-D688 PolarHBondContact O-N 3.4Å
687	L	32.5	Very low	31.5	Very low	141 Å²	141	106 Å²	106	74%	0.738	57%	0.569	S	S	*	*			trans	-54.2	112.1	169.7	-91.8	164.3	0	0	0	109	Y685 C689	Y685-L687 PolarHBondContact O-N 2.88Å; L687-C689 PolarHBondContact O-N 2.85Å; L687-C689 PolarHBondContact O-SG 3.27Å
688	D	30.6	Very low	31.5	Very low	59 Å²	59	102.8 Å²	102.8	32%	0.316	56%	0.558	S	S	.	*			trans	-81.5	85.2	-171.8	-168.8	-13.9	0	0	0	109.6	T686 R690	T686-D688 PolarHBondContact O-N 3.4Å; D688-R690 VanDerWaalsContact CG-NE 3.31Å; D688-R690 PolarHBondContact O-N 3.38Å; D688-R690 WeakPolarHBondContact OD1-CB 3.37Å; D688-R690 VanDerWaalsContact OD1-CG 3.25Å; D688-R690 WeakPolarHBondContact OD1-CG 3.49Å; D688-R690 IonicContact OD1-CZ 2.7Å; D688-R690 IonicContact OD1-NE 2.84Å; D688-R690 PolarHBondContact OD1-NE 3.3Å; D688-R690 IonicContact OD1-NH2 2.91Å; D688-R690 IonicContact OD2-CZ 2.75Å; D688-R690 VanDerWaalsContact OD2-CZ 3.22Å; D688-R690 IonicContact OD2-NE 2.63Å; D688-R690 PolarHBondContact OD2-NE 3.19Å; D688-R690 IonicContact OD2-NH2 3.27Å; D688-R690 PolarHBondContact OD2-NH2 3.14Å
689	C	33.5	Very low	31.4	Very low	120 Å²	120	107 Å²	107	81%	0.811	58%	0.58	S	S	*	*			trans	-66.6	24	-177.7	-58.5	0	0	0	0	114.6	L687	L687-C689 PolarHBondContact O-N 2.85Å; L687-C689 PolarHBondContact O-SG 3.27Å
690	R	34.4	Very low	31.5	Very low	167 Å²	167	105.1 Å²	105.1	63%	0.63	58%	0.577	S	S	*	*			trans	-64.3	133.4	169.2	-82.5	-176.2	-88.1	-157.5	-4.3	109.5	D688 N692 F693	D688-R690 VanDerWaalsContact CG-NE 3.31Å; D688-R690 PolarHBondContact O-N 3.38Å; D688-R690 WeakPolarHBondContact OD1-CB 3.37Å; D688-R690 VanDerWaalsContact OD1-CG 3.25Å; D688-R690 WeakPolarHBondContact OD1-CG 3.49Å; D688-R690 IonicContact OD1-CZ 2.7Å; D688-R690 IonicContact OD1-NE 2.84Å; D688-R690 PolarHBondContact OD1-NE 3.3Å; D688-R690 IonicContact OD1-NH2 2.91Å; D688-R690 IonicContact OD2-CZ 2.75Å; D688-R690 VanDerWaalsContact OD2-CZ 3.22Å; D688-R690 IonicContact OD2-NE 2.63Å; D688-R690 PolarHBondContact OD2-NE 3.19Å; D688-R690 IonicContact OD2-NH2 3.27Å; D688-R690 PolarHBondContact OD2-NH2 3.14Å; R690-N692 PolarHBondContact O-N 2.9Å; R690-F693 HydrophobicContact CB-CD2 4.43Å; R690-F693 PolarHBondContact O-N 2.99Å
691	P	28.9	Very low	31.3	Very low	87 Å²	87	109.6 Å²	109.6	57%	0.565	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	34.4	-161.5	-21.8	36.1	0	0	0	118.1
692	N	33.8	Very low	31.4	Very low	125 Å²	125	112.6 Å²	112.6	67%	0.668	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.4	13.5	177.3	-65.7	-96.4	0	0	0	113.3	R690	R690-N692 PolarHBondContact O-N 2.9Å
693	F	32	Very low	31.1	Very low	98 Å²	98	116.9 Å²	116.9	43%	0.43	62%	0.619	S	S	.	*			trans	-96.2	-13.8	-173.7	-99.7	-96.4	0	0	0	115.8	R690 G695 T700	R690-F693 HydrophobicContact CB-CD2 4.43Å; R690-F693 PolarHBondContact O-N 2.99Å; F693-G695 PolarHBondContact O-N 3.17Å; F693-T700 HydrophobicContact CE1-CG2 3.99Å
694	D	28.9	Very low	31.4	Very low	169 Å²	169	117.7 Å²	117.7	90%	0.904	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	99.6	176.1	-65.4	-43.3	0	0	0	111.3
695	G	29.8	Very low	31.6	Very low	67 Å²	67	122 Å²	122	69%	0.691	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.4	-11.1	170.7	0	0	0	0	0	116.7	F693 T697	F693-G695 PolarHBondContact O-N 3.17Å; G695-T697 PolarHBondContact O-N 3.1Å
696	F	28.8	Very low	31.9	Very low	139 Å²	139	117.6 Å²	117.6	61%	0.61	63%	0.63	S	S	*	*			trans	-83.8	74.6	-173.4	-76.4	-77.6	0	0	0	114.7	S698 T700	F696-S698 PolarHBondContact O-N 2.87Å; F696-T700 HydrophobicContact CB-CG2 3.85Å; F696-T700 HydrophobicContact CG-CG2 4.19Å
697	T	26.8	Very low	31.9	Very low	127 Å²	127	122 Å²	122	78%	0.779	65%	0.645	S	S	*	*			trans	-68.3	113	157.3	55.2	0	0	0	0	109.6	G695	G695-T697 PolarHBondContact O-N 3.1Å
698	S	29.9	Very low	32.1	Very low	83 Å²	83	123.4 Å²	123.4	58%	0.58	64%	0.642	S	S	*	*	S	Bend	trans	69.4	144.5	-178	75.9	0	0	0	0	117.5	F696	F696-S698 PolarHBondContact O-N 2.87Å
699	L	29.1	Very low	32.2	Very low	157 Å²	157	123 Å²	123	82%	0.822	64%	0.644	S	S	*	*			trans	62.9	56.4	161.3	-64.8	156.8	0	0	0	117.4
700	T	30.1	Very low	32.1	Very low	76 Å²	76	120.8 Å²	120.8	47%	0.466	64%	0.641	S	S	.	*			trans	-74.7	126.7	163.9	47.4	0	0	0	0	111.6	F693 F696 Y702	F693-T700 HydrophobicContact CE1-CG2 3.99Å; F696-T700 HydrophobicContact CB-CG2 3.85Å; F696-T700 HydrophobicContact CG-CG2 4.19Å; T700-Y702 PolarHBondContact O-N 3.03Å
701	N	30	Very low	32	Very low	137 Å²	137	120.4 Å²	120.4	73%	0.733	65%	0.647	S	S	*	*			trans	-47	118.5	-172.3	-102.9	-86.5	0	0	0	115.5	R703	N701-R703 HydrophobicContact CB-CB 4.43Å; N701-R703 PolarHBondContact O-N 2.94Å
702	Y	35.3	Very low	32.1	Very low	178 Å²	178	120.7 Å²	120.7	70%	0.698	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-63.7	11.8	170.5	-88.5	-89.6	0	0	0	115.4	T700 A704 W705 S706	T700-Y702 PolarHBondContact O-N 3.03Å; Y702-A704 VanDerWaalsContact C-N 3.26Å; Y702-A704 PolarHBondContact O-N 2.84Å; Y702-W705 HydrophobicContact CD1-CB 4.27Å; Y702-W705 HydrophobicContact CD1-CG 4.48Å; Y702-W705 HydrophobicContact CE1-CE3 4.35Å; Y702-W705 PolarHBondContact O-N 2.95Å; Y702-S706 PolarHBondContact O-N 3.4Å; Y702-S706 VanDerWaalsContact O-N 3.12Å; Y702-S706 PolarHBondContact O-OG 2.92Å
703	R	32.8	Very low	32	Very low	159 Å²	159	119.9 Å²	119.9	60%	0.6	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-73.2	-12.6	-166.8	-143.6	171.2	-168.6	162.9	4	115	N701	N701-R703 HydrophobicContact CB-CB 4.43Å; N701-R703 PolarHBondContact O-N 2.94Å
704	A	35.6	Very low	31.9	Very low	84 Å²	84	120.2 Å²	120.2	69%	0.694	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-83.4	-22	168.6	0	0	0	0	0	113	Y702	Y702-A704 VanDerWaalsContact C-N 3.26Å; Y702-A704 PolarHBondContact O-N 2.84Å
705	W	36.6	Very low	32	Very low	157 Å²	157	125 Å²	125	60%	0.595	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-32.9	-179	-79	40	0	0	0	112.3	Y702 H707 Y708 S709 Y715	Y702-W705 HydrophobicContact CD1-CB 4.27Å; Y702-W705 HydrophobicContact CD1-CG 4.48Å; Y702-W705 HydrophobicContact CE1-CE3 4.35Å; Y702-W705 PolarHBondContact O-N 2.95Å; W705-H707 PolarHBondContact O-N 3.29Å; W705-Y708 PolarHBondContact O-N 3Å; W705-S709 PolarHBondContact O-N 3.01Å; W705-Y715 AromaticContact CH2-CE2 3.89Å; W705-Y715 HydrophobicContact CH2-CE2 3.89Å; W705-Y715 AromaticContact CZ3-CE2 3.82Å; W705-Y715 HydrophobicContact CZ3-CE2 3.82Å
706	S	34.6	Very low	32.1	Very low	65 Å²	65	127.9 Å²	127.9	46%	0.455	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	6.6	-178	46.6	0	0	0	0	115.8	Y702 S709	Y702-S706 PolarHBondContact O-N 3.4Å; Y702-S706 VanDerWaalsContact O-N 3.12Å; Y702-S706 PolarHBondContact O-OG 2.92Å; S706-S709 PolarHBondContact O-OG 3.36Å
707	H	35.2	Very low	32.3	Very low	166 Å²	166	127.3 Å²	127.3	77%	0.769	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-12	162.5	-90.2	-84.1	0	0	0	113.7	W705	W705-H707 PolarHBondContact O-N 3.29Å
708	Y	36.6	Very low	32.6	Very low	171 Å²	171	127.3 Å²	127.3	67%	0.671	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	2.5	177.4	-75.3	-82.5	0	0	0	113.6	W705 G710 E711	W705-Y708 PolarHBondContact O-N 3Å; Y708-G710 PolarHBondContact O-N 3.07Å; Y708-E711 PolarHBondContact O-N 3.47Å
709	S	32.4	Very low	32.7	Very low	50 Å²	50	129.9 Å²	129.9	35%	0.35	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	39.4	178.6	61.5	0	0	0	0	114.2	W705 S706	W705-S709 PolarHBondContact O-N 3.01Å; S706-S709 PolarHBondContact O-OG 3.36Å
710	G	31.4	Very low	33	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-20	161.3	0	0	0	0	0	112.9	Y708	Y708-G710 PolarHBondContact O-N 3.07Å
711	E	32.4	Very low	33.2	Very low	159 Å²	159	131.7 Å²	131.7	74%	0.743	65%	0.646	S	S	*	*	S	Bend	trans	-104.8	48.1	177.9	-62.8	-174.7	156.8	0	0	111.2	Y708 N713	Y708-E711 PolarHBondContact O-N 3.47Å; E711-N713 PolarHBondContact O-N 3.32Å
712	T	31.8	Very low	33.4	Very low	94 Å²	94	131.3 Å²	131.3	58%	0.577	64%	0.64	S	S	*	*			trans	-79	95.7	-177.2	52.5	0	0	0	0	112.2
713	N	31.1	Very low	33.2	Very low	108 Å²	108	127.7 Å²	127.7	58%	0.578	64%	0.635	S	S	*	*			trans	-166.1	43.5	161.6	-92.8	-33.7	0	0	0	111.8	T556 E711	T556-N713 HydrophobicContact CG2-CB 4.19Å; T556-N713 VanDerWaalsContact CG2-ND2 3.29Å; T556-N713 WeakPolarHBondContact CG2-ND2 3.25Å; E711-N713 PolarHBondContact O-N 3.32Å
714	Y	29.9	Very low	33.3	Very low	104 Å²	104	125.1 Å²	125.1	41%	0.408	64%	0.638	S	S	.	*			trans	-143.5	57.5	-166.5	-94.9	-73.3	0	0	0	114.3	Y554 N555	Y554-Y714 AromaticContact CD1-CE1 3.88Å; Y554-Y714 HydrophobicContact CD1-CE1 3.88Å; Y554-Y714 AromaticContact CD2-CD1 3.5Å; Y554-Y714 HydrophobicContact CD2-CD1 3.5Å; Y554-Y714 VanDerWaalsContact CD2-CD1 3.5Å; Y554-Y714 AromaticContact CD2-CE1 3.61Å; Y554-Y714 HydrophobicContact CD2-CE1 3.61Å; Y554-Y714 HydrophobicContact CE1-CE1 4Å; Y554-Y714 AromaticContact CE2-CD1 3.68Å; Y554-Y714 HydrophobicContact CE2-CD1 3.68Å; Y554-Y714 AromaticContact CE2-CE1 3.79Å; Y554-Y714 HydrophobicContact CE2-CE1 3.79Å; Y554-Y714 AromaticContact CG-CD1 3.99Å; Y554-Y714 HydrophobicContact CG-CD1 3.99Å; Y554-Y714 AromaticContact CG-CE1 3.65Å; Y554-Y714 HydrophobicContact CG-CE1 3.65Å; Y554-Y714 AromaticContact CZ-CE1 3.98Å; Y554-Y714 WeakPolarHBondContact O-CE1 3.26Å; Y554-Y714 PolarHBondContact O-OH 3.23Å; N555-Y714 WeakPolarHBondContact CB-OH 3.38Å; N555-Y714 PolarHBondContact ND2-OH 3.47Å; N555-Y714 PolarHBondContact OD1-OH 3.03Å
715	Y	31.7	Very low	33.1	Very low	269 Å²	269	128.8 Å²	128.8	100%	1.055	63%	0.633	S	S	*	*			trans	-155.3	0	156.7	-100.9	-72.2	0	0	0	109.7	W705	W705-Y715 AromaticContact CH2-CE2 3.89Å; W705-Y715 HydrophobicContact CH2-CE2 3.89Å; W705-Y715 AromaticContact CZ3-CE2 3.82Å; W705-Y715 HydrophobicContact CZ3-CE2 3.82Å

Retrieved 715 of 715 residues in 980.1 ms (Link to these results)

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