A0A3Q0KQF6_SCHMA Loading...

Putative nuclear lim interactor-interacting factor (Nli-interacting factor) (Nli-if)

AlphaFold DB , UniProt , Accession A0A3Q0KQF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 656 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	34.7	Very low	37.6	Very low	234 Å²	234	158.9 Å²	158.9	100%	1.153	83%	0.827	S	S	*	*				0	143.5	0	-77.5	167.6	163.6	0	0	107.7
2	D	38.2	Very low	38	Very low	155 Å²	155	164.5 Å²	164.5	83%	0.829	83%	0.832	S	S	*	*			trans	38.9	101.3	154.3	-47.8	-15.7	0	0	0	118.7
3	G	30.7	Very low	37.9	Very low	80 Å²	80	160.8 Å²	160.8	83%	0.825	83%	0.83	S	S	*	*			trans	-102.9	152.9	153.2	0	0	0	0	0	110.2
4	V	43.5	Very low	38.3	Very low	129 Å²	129	153.7 Å²	153.7	78%	0.782	82%	0.816	S	S	*	*			trans	-119.2	123	179.4	179.3	0	0	0	0	110.3	Y6	V4-Y6 HydrophobicContact CG1-CD2 4.28Å; V4-Y6 HydrophobicContact CG1-CE2 4.3Å
5	L	37	Very low	38.4	Very low	147 Å²	147	154 Å²	154	77%	0.77	82%	0.818	S	S	*	*			trans	-110.1	118.3	179.3	-173.2	101.3	0	0	0	109.6	Q7	L5-Q7 HydrophobicContact CD2-CG 4.32Å
6	Y	40.5	Very low	38.5	Very low	222 Å²	222	153.2 Å²	153.2	87%	0.871	81%	0.814	S	S	*	*			trans	-84.4	128.2	176	-102.2	-95.7	0	0	0	111.9	V4	V4-Y6 HydrophobicContact CG1-CD2 4.28Å; V4-Y6 HydrophobicContact CG1-CE2 4.3Å
7	Q	38.8	Very low	38.4	Very low	141 Å²	141	153.9 Å²	153.9	66%	0.659	81%	0.814	S	S	*	*			trans	-107.8	142.2	177.5	-74.8	-166.9	-13.5	0	0	112.8	L5	L5-Q7 HydrophobicContact CD2-CG 4.32Å
8	N	32.9	Very low	38.3	Very low	169 Å²	169	152.6 Å²	152.6	90%	0.904	82%	0.82	S	S	*	*			trans	-76.8	129.8	172.7	-85.3	-39.6	0	0	0	113.4
9	K	38.7	Very low	38.2	Very low	173 Å²	173	150.2 Å²	150.2	75%	0.752	82%	0.816	S	S	*	*			trans	-149.5	143.9	161.9	-69.3	179.5	-176.9	155.8	0	106
10	K	38.5	Very low	38.2	Very low	180 Å²	180	152 Å²	152	78%	0.783	82%	0.818	S	S	*	*			cis	-160.4	152.6	13.5	-125.8	178.2	-179.2	-172.9	0	108.3
11	P	39.6	Very low	38.2	Very low	118 Å²	118	151.9 Å²	151.9	77%	0.766	81%	0.812	S	S	*	*			trans	-88.1	169.1	167.6	36.1	-34.4	0	0	0	112.8
12	Y	42.8	Very low	38.2	Very low	226 Å²	226	147.2 Å²	147.2	89%	0.886	80%	0.801	S	S	*	*			trans	-138.4	160.1	166.8	-110.1	-87.4	0	0	0	110.1
13	S	36.5	Very low	38.1	Very low	116 Å²	116	148.3 Å²	148.3	81%	0.811	80%	0.799	S	S	*	*			trans	-146	154.9	-163.5	55.9	0	0	0	0	114.5
14	G	43.4	Very low	38.4	Very low	62 Å²	62	150.2 Å²	150.2	64%	0.639	80%	0.8	S	S	*	*			trans	102.9	152.4	163.2	0	0	0	0	0	115.9
15	D	40.2	Very low	38.1	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	80%	0.797	S	S	*	*			cis	-162.5	171.8	-12	-96.9	-43.4	0	0	0	111.3
16	D	40	Very low	37.7	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	80%	0.796	S	S	*	*			trans	67.6	107.2	159	-84.2	-33.5	0	0	0	124.2
17	M	36.3	Very low	37.5	Very low	166 Å²	166	145.5 Å²	145.5	82%	0.818	80%	0.799	S	S	*	*				48.3	117.4	113.7	-63.2	-69.2	-174.2	0	0	121.9
18	S	37.3	Very low	37	Very low	130 Å²	130	144 Å²	144	91%	0.909	80%	0.803	S	S	*	*				178.9	177.6	107.3	44.7	0	0	0	0	112
19	S	36	Very low	37.1	Very low	107 Å²	107	142 Å²	142	75%	0.748	80%	0.803	S	S	*	*			trans	-130.5	147.7	-158.5	59.7	0	0	0	0	115.4
20	E	38.8	Very low	36.7	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.864	81%	0.809	S	S	*	*				-176.3	125.8	124.8	-99	175.3	-178.6	0	0	109.5
21	H	37	Very low	36.6	Very low	150 Å²	150	141.2 Å²	141.2	69%	0.694	80%	0.804	S	S	*	*				74.5	95	71.3	-116.5	87.5	0	0	0	116.4
22	C	35	Very low	36.3	Very low	136 Å²	136	143.8 Å²	143.8	92%	0.919	81%	0.806	S	S	*	*			trans	-155.8	155.9	139.9	-104.6	0	0	0	0	111.6
23	K	35.7	Very low	35.7	Very low	178 Å²	178	141 Å²	141	77%	0.774	81%	0.806	S	S	*	*			trans	-132	143.9	-171.1	-58.7	170.6	-176.6	169.8	0	111.2
24	S	38.4	Very low	35.5	Very low	121 Å²	121	139 Å²	139	85%	0.846	80%	0.803	S	S	*	*			trans	-157.7	150.4	146.4	46.4	0	0	0	0	110.9
25	P	37.1	Very low	35.3	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	81%	0.812	S	S	*	*			trans	-128.1	-177.1	-163.1	41.8	-25.4	0	0	0	115.4
26	C	28.8	Very low	35.2	Very low	111 Å²	111	143.6 Å²	143.6	75%	0.75	81%	0.812	S	S	*	*			trans	73.4	115.2	162.4	-57.5	0	0	0	0	118.2
27	L	35.6	Very low	35.4	Very low	176 Å²	176	144.1 Å²	144.1	92%	0.921	81%	0.814	S	S	*	*				-163.5	173.6	96.5	-98.3	165.4	0	0	0	110.7
28	S	28	Very low	35.7	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	81%	0.808	S	S	*	*			trans	-111.7	137	-157.9	55.8	0	0	0	0	115.8
29	S	35.7	Very low	35.9	Very low	128 Å²	128	140.8 Å²	140.8	90%	0.895	80%	0.8	S	S	*	*			trans	-154.3	152.1	155.2	47.3	0	0	0	0	113.2
30	R	30	Very low	36.2	Very low	232 Å²	232	141 Å²	141	88%	0.875	80%	0.796	S	S	*	*			trans	-130.4	-177.3	168.5	-118.2	-171	176	-168.6	-1.2	105.6
31	P	35.8	Very low	36.2	Very low	104 Å²	104	135.2 Å²	135.2	68%	0.675	79%	0.786	S	S	*	*			cis	-71.1	-116.6	-2.6	-18.8	35.8	0	0	0	116.6
32	E	33.5	Very low	35.9	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	80%	0.798	S	S	*	*			cis	-151.8	169.8	8.4	-69.3	169	176.9	0	0	110.4
33	N	30.7	Very low	36	Very low	168 Å²	168	140.9 Å²	140.9	90%	0.898	80%	0.796	S	S	*	*			trans	-99	138	178.8	-68.6	-15.9	0	0	0	111.1
34	G	32.5	Very low	35.6	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	80%	0.799	S	S	*	*			trans	-119.1	127.2	175.4	0	0	0	0	0	112.8
35	N	39.7	Very low	35.3	Very low	155 Å²	155	139.4 Å²	139.4	83%	0.829	80%	0.796	S	S	*	*			trans	-70.8	134.5	174.7	-72.2	-7	0	0	0	110.8	L37	N35-L37 PolarHBondContact O-N 2.83Å; N35-L37 VanDerWaalsContact O-N 3.08Å
36	L	37.5	Very low	35.1	Very low	162 Å²	162	140 Å²	140	85%	0.848	79%	0.793	S	S	*	*			trans	-87.4	73	-171.6	-166.5	74.4	0	0	0	112.4	V38	L36-V38 HydrophobicContact CG-CG2 4.18Å
37	L	43.8	Very low	35.2	Very low	153 Å²	153	142.8 Å²	142.8	80%	0.801	80%	0.798	S	S	*	*			trans	-71.3	124.8	167.4	-84.7	158.9	0	0	0	110.4	N35	N35-L37 PolarHBondContact O-N 2.83Å; N35-L37 VanDerWaalsContact O-N 3.08Å
38	V	42.3	Very low	35.3	Very low	113 Å²	113	141.9 Å²	141.9	69%	0.685	79%	0.79	S	S	*	*			trans	-114.6	108.2	-179.5	-178.3	0	0	0	0	109.8	L36	L36-V38 HydrophobicContact CG-CG2 4.18Å
39	P	42.6	Very low	35.7	Very low	113 Å²	113	146 Å²	146	73%	0.734	80%	0.797	S	S	*	*			trans	-62.7	142.4	168.7	-19.9	32.6	0	0	0	110.8	G41	P39-G41 PolarHBondContact O-N 3.38Å
40	V	42.2	Very low	35.9	Very low	110 Å²	110	146.3 Å²	146.3	67%	0.667	79%	0.786	S	S	*	*			trans	-69	94.1	-177.3	-177.5	0	0	0	0	110.6	V448	V40-V448 HydrophobicContact CG2-CG2 4.33Å
41	G	39.1	Very low	36.8	Very low	64 Å²	64	137.6 Å²	137.6	66%	0.66	77%	0.768	S	S	*	*			trans	-131.7	90	-178.3	0	0	0	0	0	112.6	P39 K43	P39-G41 PolarHBondContact O-N 3.38Å; G41-K43 PolarHBondContact O-N 3.03Å
42	Q	31.1	Very low	37.7	Very low	201 Å²	201	140.5 Å²	140.5	94%	0.939	78%	0.778	S	S	*	*			trans	20	77.2	167.6	-69.3	-172.3	-27.6	0	0	117.6
43	K	35.4	Very low	39	Very low	205 Å²	205	134.1 Å²	134.1	89%	0.891	75%	0.749	S	S	*	*			trans	-137.3	107.1	153.3	-74.8	-167.9	178.3	177	0	111.1	G41	G41-K43 PolarHBondContact O-N 3.03Å
44	S	27.8	Very low	40.6	Very low	119 Å²	119	128.4 Å²	128.4	83%	0.832	72%	0.722	S	S	*	*			trans	-75.8	132.9	160.3	171.7	0	0	0	0	109.2
45	L	32.5	Very low	42	Very low	149 Å²	149	129.2 Å²	129.2	78%	0.78	72%	0.716	S	S	*	*			trans	-171.5	149.5	150.6	-103.7	160.9	0	0	0	110.7
46	D	32.1	Very low	43.1	Very low	124 Å²	124	127 Å²	127	66%	0.663	70%	0.701	S	S	*	*			trans	53.2	86.8	163.7	-58.1	-14.1	0	0	0	119.6	Q48	D46-Q48 PolarHBondContact O-N 2.92Å; D46-Q48 VanDerWaalsContact O-N 3.16Å
47	I	31.7	Very low	44.6	Very low	169 Å²	169	121.4 Å²	121.4	87%	0.867	67%	0.671	S	S	*	*			trans	-70.5	100.4	157.2	-57.3	172.2	0	0	0	108.5
48	Q	36.7	Very low	45.7	Very low	158 Å²	158	117.2 Å²	117.2	74%	0.738	64%	0.644	S	S	*	*			trans	-84.7	163.1	163.4	-62.4	-169.5	2.4	0	0	110.1	D46 M50	D46-Q48 PolarHBondContact O-N 2.92Å; D46-Q48 VanDerWaalsContact O-N 3.16Å; Q48-M50 PolarHBondContact O-N 3.25Å; Q48-M50 VanDerWaalsContact O-N 3.11Å
49	H	37.5	Very low	46.9	Very low	195 Å²	195	115.2 Å²	115.2	90%	0.903	63%	0.628	S	S	*	*			trans	-54.3	118.2	-172.4	-87.2	18.4	0	0	0	112.4	G51	H49-G51 PolarHBondContact O-N 2.87Å
50	M	39.5	Very low	48.3	Very low	134 Å²	134	114.9 Å²	114.9	66%	0.66	61%	0.612	S	S	*	*			trans	-64	115.5	157.3	-74	-73.6	171.6	0	0	107.6	Q48	Q48-M50 PolarHBondContact O-N 3.25Å; Q48-M50 VanDerWaalsContact O-N 3.11Å
51	G	48.4	Very low	49.8	Very low	49 Å²	49	109.8 Å²	109.8	51%	0.505	58%	0.581	S	S	.	*			trans	-76.1	124.5	157.3	0	0	0	0	0	107.4	H49 I53	H49-G51 PolarHBondContact O-N 2.87Å; G51-I53 PolarHBondContact O-N 3.31Å
52	D	55	Low	51	Low	164 Å²	164	106.8 Å²	106.8	88%	0.877	55%	0.55	S	S	*	.			trans	-60.4	113.5	-179.7	-69.2	-50.7	0	0	0	110.1
53	I	61.6	Low	52.3	Low	39 Å²	39	98.3 Å²	98.3	20%	0.2	51%	0.511	C	S	.	.			trans	-62.8	135.8	169	-168.7	175	0	0	0	109	G51 E57 L61 F439 I453	G51-I53 PolarHBondContact O-N 3.31Å; I53-E57 HydrophobicContact CD1-CB 4.07Å; I53-E57 HydrophobicContact CG1-CB 3.7Å; I53-L61 HydrophobicContact CD1-CD1 3.63Å; I53-F439 HydrophobicContact CD1-CD1 4.44Å; I53-F439 HydrophobicContact CD1-CE1 4.05Å; I53-F439 HydrophobicContact CD1-CZ 4.18Å; I53-I453 HydrophobicContact CD1-CD1 3.89Å; I53-I453 HydrophobicContact CD1-CG2 4.22Å; I53-I453 HydrophobicContact CG1-CG2 4.37Å
54	S	63.8	Low	52.8	Low	48 Å²	48	89.7 Å²	89.7	34%	0.336	48%	0.476	S	S	.	.			trans	-66.1	146.4	174.4	68.6	0	0	0	0	110	E56 E57 Y58	S54-E56 PolarHBondContact O-N 3.11Å; S54-E57 WeakPolarHBondContact CB-OE2 3.43Å; S54-E57 PolarHBondContact N-OE2 2.88Å; S54-E57 PolarHBondContact O-N 3.49Å; S54-E57 WeakPolarHBondContact OG-CB 3.39Å; S54-E57 WeakPolarHBondContact OG-CG 3.47Å; S54-E57 PolarHBondContact OG-N 2.75Å; S54-E57 PolarHBondContact OG-OE2 3.15Å; S54-Y58 PolarHBondContact O-N 3.44Å
55	S	61.8	Low	53.1	Low	90 Å²	90	86.2 Å²	86.2	63%	0.629	45%	0.451	S	S	*	.	H	α-helix	trans	-58.4	-35.6	177.3	-54.5	0	0	0	0	111.6	E57 Y58 E59	S55-E57 VanDerWaalsContact C-N 3.31Å; S55-E57 PolarHBondContact O-N 3.04Å; S55-Y58 PolarHBondContact O-N 3.22Å; S55-E59 WeakPolarHBondContact O-CB 3.31Å; S55-E59 WeakPolarHBondContact O-CG 3.34Å; S55-E59 PolarHBondContact O-N 3.37Å
56	E	64	Low	53.1	Low	107 Å²	107	82.9 Å²	82.9	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-61.1	-36.5	172.6	-60.6	-175	-161.7	0	0	112.8	S54 R60	S54-E56 PolarHBondContact O-N 3.11Å; E56-R60 WeakPolarHBondContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CD 3.3Å; E56-R60 WeakPolarHBondContact O-CG 3.41Å; E56-R60 PolarHBondContact O-N 2.83Å; E56-R60 IonicContact OE2-CZ 2.93Å; E56-R60 IonicContact OE2-NH1 3.04Å; E56-R60 PolarHBondContact OE2-NH1 3.03Å; E56-R60 IonicContact OE2-NH2 3.91Å; E56-R60 PolarHBondContact OE2-NH2 2.94Å
57	E	67.2	Low	53.4	Low	46 Å²	46	80.6 Å²	80.6	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-75.7	-38.3	176.9	-74.9	161.3	146.2	0	0	111.9	I53 S54 S55 R60 L61 N454	I53-E57 HydrophobicContact CD1-CB 4.07Å; I53-E57 HydrophobicContact CG1-CB 3.7Å; S54-E57 WeakPolarHBondContact CB-OE2 3.43Å; S54-E57 PolarHBondContact N-OE2 2.88Å; S54-E57 PolarHBondContact O-N 3.49Å; S54-E57 WeakPolarHBondContact OG-CB 3.39Å; S54-E57 WeakPolarHBondContact OG-CG 3.47Å; S54-E57 PolarHBondContact OG-N 2.75Å; S54-E57 PolarHBondContact OG-OE2 3.15Å; S55-E57 VanDerWaalsContact C-N 3.31Å; S55-E57 PolarHBondContact O-N 3.04Å; E57-R60 CarbonylContact O-C 3.17Å; E57-R60 PolarHBondContact O-N 3.16Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 WeakPolarHBondContact O-CD1 3.39Å; E57-L61 WeakPolarHBondContact O-CG 3.45Å; E57-L61 PolarHBondContact O-N 2.93Å; E57-N454 PolarHBondContact OE1-ND2 3.23Å
58	Y	68.6	Low	53.5	Low	64 Å²	64	77.8 Å²	77.8	25%	0.251	42%	0.421	S	S	.	.	H	α-helix	trans	-58.3	-51.3	172.3	172.9	-127.6	0	0	0	111.2	S54 S55 R60 L61 V62 L63 F439	S54-Y58 PolarHBondContact O-N 3.44Å; S55-Y58 PolarHBondContact O-N 3.22Å; Y58-R60 VanDerWaalsContact C-N 3.32Å; Y58-R60 PolarHBondContact O-N 3.14Å; Y58-L61 PolarHBondContact O-N 3.48Å; Y58-L61 VanDerWaalsContact O-N 3.16Å; Y58-V62 HydrophobicContact CE2-CB 4.21Å; Y58-V62 HydrophobicContact CE2-CG1 4.38Å; Y58-V62 PolarHBondContact O-N 2.77Å; Y58-V62 VanDerWaalsContact O-N 3.17Å; Y58-L63 HydrophobicContact CD1-CD1 4.09Å; Y58-L63 HydrophobicContact CE1-CD1 3.55Å; Y58-L63 HydrophobicContact CE1-CG 4.36Å; Y58-F439 AromaticContact CD2-CD2 3.32Å; Y58-F439 HydrophobicContact CD2-CD2 3.32Å; Y58-F439 AromaticContact CD2-CE2 3.44Å; Y58-F439 HydrophobicContact CD2-CE2 3.44Å; Y58-F439 VanDerWaalsContact CD2-CE2 3.44Å; Y58-F439 HydrophobicContact CD2-CG 4.41Å; Y58-F439 AromaticContact CE2-CD2 3.48Å; Y58-F439 HydrophobicContact CE2-CD2 3.48Å; Y58-F439 VanDerWaalsContact CE2-CD2 3.48Å; Y58-F439 AromaticContact CE2-CE2 3.78Å; Y58-F439 HydrophobicContact CE2-CE2 3.78Å; Y58-F439 HydrophobicContact CG-CD2 4.5Å
59	E	67	Low	53.5	Low	72 Å²	72	75.9 Å²	75.9	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-58.6	-45	172.5	-72.5	174	-172	0	0	110.6	S55 L61 L63 R511	S55-E59 WeakPolarHBondContact O-CB 3.31Å; S55-E59 WeakPolarHBondContact O-CG 3.34Å; S55-E59 PolarHBondContact O-N 3.37Å; E59-L61 PolarHBondContact O-N 3.25Å; E59-L63 HydrophobicContact CG-CD1 4.19Å; E59-L63 PolarHBondContact O-N 3.17Å; E59-R511 PolarHBondContact O-NH2 3.41Å
60	R	70.7	Confident	53.9	Low	105 Å²	105	70.2 Å²	70.2	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-24.2	178.5	-78.9	171	-170.2	125	14.2	113.6	E56 E57 Y58 L488 R511	E56-R60 WeakPolarHBondContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CD 3.3Å; E56-R60 WeakPolarHBondContact O-CG 3.41Å; E56-R60 PolarHBondContact O-N 2.83Å; E56-R60 IonicContact OE2-CZ 2.93Å; E56-R60 IonicContact OE2-NH1 3.04Å; E56-R60 PolarHBondContact OE2-NH1 3.03Å; E56-R60 IonicContact OE2-NH2 3.91Å; E56-R60 PolarHBondContact OE2-NH2 2.94Å; E57-R60 CarbonylContact O-C 3.17Å; E57-R60 PolarHBondContact O-N 3.16Å; Y58-R60 VanDerWaalsContact C-N 3.32Å; Y58-R60 PolarHBondContact O-N 3.14Å; R60-L488 HydrophobicContact CB-CD1 4.49Å; R60-L488 VanDerWaalsContact O-CD1 3.24Å; R60-L488 WeakPolarHBondContact O-CD1 3.31Å; R60-L488 VanDerWaalsContact O-CG 3.23Å; R60-L488 WeakPolarHBondContact O-CG 3.31Å; R60-R511 VanDerWaalsContact C-NH1 3.33Å; R60-R511 VanDerWaalsContact CB-NH1 3.33Å; R60-R511 PolarHBondContact O-NH1 3.47Å; R60-R511 PolarHBondContact O-NH2 2.89Å; R60-R511 VanDerWaalsContact O-NH2 3.1Å
61	L	74.4	Confident	54.5	Low	4 Å²	4	67 Å²	67	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-90.4	-44.8	-176.1	-69.8	157.8	0	0	0	113.1	I53 E57 Y58 E59 F439 V451 I453 S487 L488 K490 Y491	I53-L61 HydrophobicContact CD1-CD1 3.63Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 WeakPolarHBondContact O-CD1 3.39Å; E57-L61 WeakPolarHBondContact O-CG 3.45Å; E57-L61 PolarHBondContact O-N 2.93Å; Y58-L61 PolarHBondContact O-N 3.48Å; Y58-L61 VanDerWaalsContact O-N 3.16Å; E59-L61 PolarHBondContact O-N 3.25Å; L61-F439 HydrophobicContact CB-CZ 4.38Å; L61-F439 HydrophobicContact CD1-CE1 4.49Å; L61-F439 HydrophobicContact CD1-CZ 3.84Å; L61-V451 HydrophobicContact CD2-CG1 4.11Å; L61-I453 HydrophobicContact CD1-CD1 3.32Å; L61-I453 HydrophobicContact CD1-CG1 3.57Å; L61-I453 HydrophobicContact CD1-CG2 4.23Å; L61-I453 HydrophobicContact CD2-CG1 4.22Å; L61-S487 WeakPolarHBondContact O-CB 3.48Å; L61-L488 HydrophobicContact CD2-CD1 4.07Å; L61-L488 PolarHBondContact O-N 2.99Å; L61-K490 HydrophobicContact CD2-CD 4.44Å; L61-K490 HydrophobicContact CD2-CG 4.38Å; L61-Y491 VanDerWaalsContact O-CD1 3.23Å; L61-Y491 WeakPolarHBondContact O-CD1 3.37Å
62	V	64.9	Low	54.8	Low	0 Å²	0	71.5 Å²	71.5	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-124	-16.4	-161.9	172.3	0	0	0	0	113.5	Y58 D431 F439 V460 S487 Y491	Y58-V62 HydrophobicContact CE2-CB 4.21Å; Y58-V62 HydrophobicContact CE2-CG1 4.38Å; Y58-V62 PolarHBondContact O-N 2.77Å; Y58-V62 VanDerWaalsContact O-N 3.17Å; V62-D431 WeakPolarHBondContact O-CB 3.42Å; V62-F439 HydrophobicContact CB-CE2 4.5Å; V62-F439 HydrophobicContact CG2-CE2 3.68Å; V62-F439 HydrophobicContact CG2-CZ 4.27Å; V62-V460 HydrophobicContact CG2-CG1 4.34Å; V62-S487 PolarHBondContact O-OG 3.46Å; V62-S487 VanDerWaalsContact O-OG 3.09Å; V62-Y491 HydrophobicContact CB-CE1 4.3Å; V62-Y491 HydrophobicContact CG1-CE1 4.3Å; V62-Y491 HydrophobicContact CG2-CD1 3.92Å; V62-Y491 HydrophobicContact CG2-CD2 3.88Å; V62-Y491 HydrophobicContact CG2-CE1 3.97Å; V62-Y491 HydrophobicContact CG2-CE2 3.92Å; V62-Y491 HydrophobicContact CG2-CG 3.88Å
63	L	58.9	Low	54.9	Low	23 Å²	23	71.4 Å²	71.4	12%	0.12	39%	0.394	C	S	.	.			trans	-119.4	149	-173.3	-52.7	176.6	0	0	0	112.5	Y58 E59 E432 R511	Y58-L63 HydrophobicContact CD1-CD1 4.09Å; Y58-L63 HydrophobicContact CE1-CD1 3.55Å; Y58-L63 HydrophobicContact CE1-CG 4.36Å; E59-L63 HydrophobicContact CG-CD1 4.19Å; E59-L63 PolarHBondContact O-N 3.17Å; L63-E432 WeakPolarHBondContact CD2-OE2 3.34Å; L63-R511 PolarHBondContact O-NH2 2.86Å
64	S	45.8	Very low	54.8	Low	24 Å²	24	71.5 Å²	71.5	17%	0.168	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-68.1	136.4	141.5	-62.4	0	0	0	0	107.1	A486	S64-A486 VanDerWaalsContact OG-CB 3.3Å; S64-A486 WeakPolarHBondContact OG-CB 3.36Å
65	P	33.9	Very low	54.4	Low	47 Å²	47	70.1 Å²	70.1	31%	0.305	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-52.5	130.1	174	23.5	-33.3	0	0	0	108.7
66	P	32.7	Very low	54.4	Low	78 Å²	78	68.5 Å²	68.5	51%	0.506	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-58.2	133.4	-171.8	22.7	-33	0	0	0	109	V68	P66-V68 PolarHBondContact O-N 3.48Å
67	P	36.9	Very low	54.4	Low	76 Å²	76	66.1 Å²	66.1	49%	0.494	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-56.8	116.1	-174.5	22.6	-33.2	0	0	0	108.7	P69	P67-P69 VanDerWaalsContact O-CD 3.3Å; P67-P69 WeakPolarHBondContact O-CD 3.44Å; P67-P69 VanDerWaalsContact O-N 3.09Å
68	V	33.7	Very low	53.9	Low	111 Å²	111	64.8 Å²	64.8	67%	0.673	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-50.1	119.2	-169.8	178.3	0	0	0	0	108.8	P66 L70	P66-V68 PolarHBondContact O-N 3.48Å; V68-L70 VanDerWaalsContact C-N 3.35Å; V68-L70 PolarHBondContact O-N 3.46Å
69	P	37.1	Very low	53.5	Low	117 Å²	117	65.6 Å²	65.6	76%	0.76	39%	0.385	S	S	*	.			trans	-64.4	98.1	177.2	-22.4	34.1	0	0	0	109.2	P67 S71	P67-P69 VanDerWaalsContact O-CD 3.3Å; P67-P69 WeakPolarHBondContact O-CD 3.44Å; P67-P69 VanDerWaalsContact O-N 3.09Å; P69-S71 PolarHBondContact O-N 2.74Å; P69-S71 VanDerWaalsContact O-N 3.13Å
70	L	46.3	Very low	53.5	Low	76 Å²	76	69.9 Å²	69.9	40%	0.398	40%	0.399	S	S	.	.			trans	-51.5	120.6	152.8	-72.2	171.5	0	0	0	105.5	V68 A74 A75 L609 F610	V68-L70 VanDerWaalsContact C-N 3.35Å; V68-L70 PolarHBondContact O-N 3.46Å; L70-A74 HydrophobicContact CB-CB 4.49Å; L70-A74 HydrophobicContact CD2-CB 4.22Å; L70-A75 HydrophobicContact CB-CB 4.11Å; L70-L609 HydrophobicContact CD1-CB 4.32Å; L70-L609 HydrophobicContact CD1-CD1 4.47Å; L70-F610 HydrophobicContact CD1-CE2 4.19Å; L70-F610 HydrophobicContact CD1-CZ 4.48Å
71	S	51.6	Low	53	Low	66 Å²	66	69.2 Å²	69.2	46%	0.462	40%	0.4	S	S	.	.			trans	-53.9	150.7	172.5	63.7	0	0	0	0	108.6	P69 E73 A74 A75	P69-S71 PolarHBondContact O-N 2.74Å; P69-S71 VanDerWaalsContact O-N 3.13Å; S71-E73 CarbonylContact O-C 3.54Å; S71-E73 PolarHBondContact O-N 3.31Å; S71-A74 PolarHBondContact O-N 3.45Å; S71-A74 WeakPolarHBondContact OG-CB 3.44Å; S71-A74 PolarHBondContact OG-N 3.42Å; S71-A75 PolarHBondContact O-N 2.93Å
72	L	54.6	Low	52	Low	145 Å²	145	70 Å²	70	76%	0.759	41%	0.407	S	S	*	.	H	α-helix	trans	-52.8	-33.9	180	-179.9	61	0	0	0	111.2	S76	L72-S76 WeakPolarHBondContact O-CB 3.44Å; L72-S76 PolarHBondContact O-N 2.94Å; L72-S76 PolarHBondContact O-OG 3.01Å
73	E	57.3	Low	51.9	Low	161 Å²	161	71.7 Å²	71.7	75%	0.752	42%	0.422	S	S	*	.	H	α-helix	trans	-65.6	-51.3	171.9	-171.3	166.5	-148	0	0	113.4	S71 A75 S76 A77	S71-E73 CarbonylContact O-C 3.54Å; S71-E73 PolarHBondContact O-N 3.31Å; E73-A75 VanDerWaalsContact C-N 3.35Å; E73-A75 PolarHBondContact O-N 2.95Å; E73-S76 PolarHBondContact O-N 2.99Å; E73-A77 VanDerWaalsContact O-CB 3.28Å; E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 3.27Å
74	A	60.7	Low	52.4	Low	41 Å²	41	73 Å²	73	34%	0.339	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-40.3	176.6	0	0	0	0	0	112.4	L70 S71 A78	L70-A74 HydrophobicContact CB-CB 4.49Å; L70-A74 HydrophobicContact CD2-CB 4.22Å; S71-A74 PolarHBondContact O-N 3.45Å; S71-A74 WeakPolarHBondContact OG-CB 3.44Å; S71-A74 PolarHBondContact OG-N 3.42Å; A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.38Å
75	A	55.1	Low	52.9	Low	19 Å²	19	77.1 Å²	77.1	16%	0.157	44%	0.444	C	S	.	.	H	α-helix	trans	-64.4	-44.4	174.3	0	0	0	0	0	111.3	L70 S71 E73 A78 I79 L609	L70-A75 HydrophobicContact CB-CB 4.11Å; S71-A75 PolarHBondContact O-N 2.93Å; E73-A75 VanDerWaalsContact C-N 3.35Å; E73-A75 PolarHBondContact O-N 2.95Å; A75-A78 PolarHBondContact O-N 3.32Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.35Å; A75-I79 PolarHBondContact O-N 2.9Å; A75-L609 HydrophobicContact CB-CD1 4.38Å
76	S	62.1	Low	53.9	Low	57 Å²	57	78 Å²	78	40%	0.399	45%	0.451	S	S	.	.	H	α-helix	trans	-70.1	-38.3	-179.3	-65.8	0	0	0	0	112.6	L72 E73 I79 Y80	L72-S76 WeakPolarHBondContact O-CB 3.44Å; L72-S76 PolarHBondContact O-N 2.94Å; L72-S76 PolarHBondContact O-OG 3.01Å; E73-S76 PolarHBondContact O-N 2.99Å; S76-I79 PolarHBondContact O-N 3.26Å; S76-Y80 WeakPolarHBondContact O-CB 3.33Å; S76-Y80 PolarHBondContact O-N 2.9Å
77	A	63.5	Low	55.4	Low	56 Å²	56	77.9 Å²	77.9	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-44.5	172.1	0	0	0	0	0	111.2	E73 Y80 E81	E73-A77 VanDerWaalsContact O-CB 3.28Å; E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 3.27Å; A77-Y80 PolarHBondContact O-N 3.18Å; A77-E81 PolarHBondContact O-N 2.79Å
78	A	56.3	Low	56.4	Low	19 Å²	19	77.9 Å²	77.9	16%	0.157	45%	0.445	C	S	.	.	H	α-helix	trans	-65.7	-37.9	175.2	0	0	0	0	0	112.8	A74 A75 A82 L609	A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.38Å; A75-A78 PolarHBondContact O-N 3.32Å; A78-A82 VanDerWaalsContact O-CB 3.28Å; A78-A82 WeakPolarHBondContact O-CB 3.42Å; A78-A82 PolarHBondContact O-N 3.19Å; A78-L609 HydrophobicContact CB-CB 4.07Å; A78-L609 HydrophobicContact CB-CD2 3.72Å; A78-L609 HydrophobicContact CB-CG 4.38Å
79	I	60.2	Low	57.1	Low	80 Å²	80	82.1 Å²	82.1	41%	0.41	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-44.4	172.5	-70.4	165.6	0	0	0	110.4	A75 S76 A82 A83 L609	A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.35Å; A75-I79 PolarHBondContact O-N 2.9Å; S76-I79 PolarHBondContact O-N 3.26Å; I79-A82 PolarHBondContact O-N 3.03Å; I79-A83 WeakPolarHBondContact O-CB 3.28Å; I79-A83 PolarHBondContact O-N 2.96Å; I79-L609 HydrophobicContact CB-CD2 4.37Å; I79-L609 HydrophobicContact CG1-CD1 4.19Å; I79-L609 HydrophobicContact CG1-CD2 3.56Å
80	Y	66.5	Low	57.9	Low	162 Å²	162	80.8 Å²	80.8	64%	0.635	44%	0.439	S	S	*	.	H	α-helix	trans	-66.5	-46.8	-179.2	-174.7	-100.2	0	0	0	111.8	S76 A77 A82 A83 C84	S76-Y80 WeakPolarHBondContact O-CB 3.33Å; S76-Y80 PolarHBondContact O-N 2.9Å; A77-Y80 PolarHBondContact O-N 3.18Å; Y80-A82 VanDerWaalsContact C-N 3.34Å; Y80-A82 PolarHBondContact O-N 3.43Å; Y80-A83 PolarHBondContact O-N 3.29Å; Y80-C84 WeakPolarHBondContact O-CB 3.42Å; Y80-C84 PolarHBondContact O-N 2.91Å; Y80-C84 PolarHBondContact O-SG 3.48Å; Y80-C84 VanDerWaalsContact O-SG 3.37Å
81	E	60	Low	58.2	Low	91 Å²	91	82.5 Å²	82.5	43%	0.425	45%	0.445	S	S	.	.	H	α-helix	trans	-57.9	-44.1	172.7	-87.4	-137.8	117.2	0	0	112.3	A77 A83 C84 R85	A77-E81 PolarHBondContact O-N 2.79Å; E81-A83 VanDerWaalsContact C-N 3.34Å; E81-A83 PolarHBondContact O-N 3.24Å; E81-C84 PolarHBondContact O-N 3.2Å; E81-R85 VanDerWaalsContact CD-CZ 3.45Å; E81-R85 VanDerWaalsContact CD-NH1 3.35Å; E81-R85 WeakPolarHBondContact O-CB 3.25Å; E81-R85 WeakPolarHBondContact O-CG 3.37Å; E81-R85 PolarHBondContact O-N 3.09Å; E81-R85 IonicContact OE1-CZ 3.11Å; E81-R85 IonicContact OE1-NH1 2.7Å; E81-R85 IonicContact OE1-NH2 2.8Å; E81-R85 PolarHBondContact OE1-NH2 3.02Å; E81-R85 IonicContact OE2-CZ 2.83Å; E81-R85 IonicContact OE2-NH1 2.74Å; E81-R85 PolarHBondContact OE2-NH1 3.34Å; E81-R85 IonicContact OE2-NH2 3.37Å; E81-R85 PolarHBondContact OE2-NH2 3Å
82	A	53.5	Low	58.2	Low	21 Å²	21	82.7 Å²	82.7	17%	0.174	45%	0.446	C	S	.	.	H	α-helix	trans	-60	-45.3	177.2	0	0	0	0	0	111.4	A78 I79 Y80 R85 S86 H612	A78-A82 VanDerWaalsContact O-CB 3.28Å; A78-A82 WeakPolarHBondContact O-CB 3.42Å; A78-A82 PolarHBondContact O-N 3.19Å; I79-A82 PolarHBondContact O-N 3.03Å; Y80-A82 VanDerWaalsContact C-N 3.34Å; Y80-A82 PolarHBondContact O-N 3.43Å; A82-R85 PolarHBondContact O-N 3.2Å; A82-S86 PolarHBondContact O-N 2.85Å; A82-H612 WeakPolarHBondContact CB-NE2 3.39Å
83	A	63.2	Low	58.2	Low	36 Å²	36	80.7 Å²	80.7	30%	0.298	44%	0.435	S	S	.	.	H	α-helix	trans	-62.2	-46.3	176.1	0	0	0	0	0	111.8	I79 Y80 E81 S86 H87	I79-A83 WeakPolarHBondContact O-CB 3.28Å; I79-A83 PolarHBondContact O-N 2.96Å; Y80-A83 PolarHBondContact O-N 3.29Å; E81-A83 VanDerWaalsContact C-N 3.34Å; E81-A83 PolarHBondContact O-N 3.24Å; A83-S86 PolarHBondContact O-N 3.49Å; A83-S86 PolarHBondContact O-OG 3.42Å; A83-H87 PolarHBondContact O-N 3.37Å; A83-H87 PolarHBondContact O-ND1 3.34Å
84	C	69.2	Low	58.1	Low	49 Å²	49	75.7 Å²	75.7	33%	0.331	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-47.3	176.6	-72.2	0	0	0	0	112	Y80 E81 S86 H87 S88	Y80-C84 WeakPolarHBondContact O-CB 3.42Å; Y80-C84 PolarHBondContact O-N 2.91Å; Y80-C84 PolarHBondContact O-SG 3.48Å; Y80-C84 VanDerWaalsContact O-SG 3.37Å; E81-C84 PolarHBondContact O-N 3.2Å; C84-S86 VanDerWaalsContact C-N 3.3Å; C84-S86 PolarHBondContact O-N 3.26Å; C84-H87 WeakPolarHBondContact O-CB 3.28Å; C84-H87 PolarHBondContact O-N 3.42Å; C84-H87 VanDerWaalsContact O-N 3.09Å; C84-S88 PolarHBondContact O-N 2.96Å; C84-S88 PolarHBondContact O-OG 3.01Å
85	R	56.4	Low	57.8	Low	112 Å²	112	77.9 Å²	77.9	42%	0.423	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-37.1	177.1	-73.5	178.1	179.4	123.7	7.9	112.3	E81 A82 H87 S88 R89	E81-R85 VanDerWaalsContact CD-CZ 3.45Å; E81-R85 VanDerWaalsContact CD-NH1 3.35Å; E81-R85 WeakPolarHBondContact O-CB 3.25Å; E81-R85 WeakPolarHBondContact O-CG 3.37Å; E81-R85 PolarHBondContact O-N 3.09Å; E81-R85 IonicContact OE1-CZ 3.11Å; E81-R85 IonicContact OE1-NH1 2.7Å; E81-R85 IonicContact OE1-NH2 2.8Å; E81-R85 PolarHBondContact OE1-NH2 3.02Å; E81-R85 IonicContact OE2-CZ 2.83Å; E81-R85 IonicContact OE2-NH1 2.74Å; E81-R85 PolarHBondContact OE2-NH1 3.34Å; E81-R85 IonicContact OE2-NH2 3.37Å; E81-R85 PolarHBondContact OE2-NH2 3Å; A82-R85 PolarHBondContact O-N 3.2Å; R85-H87 VanDerWaalsContact C-N 3.33Å; R85-H87 PolarHBondContact O-N 2.86Å; R85-S88 PolarHBondContact O-N 3.05Å; R85-R89 WeakPolarHBondContact O-CB 3.07Å; R85-R89 PolarHBondContact O-N 3.34Å
86	S	53.9	Low	57.7	Low	65 Å²	65	80.1 Å²	80.1	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-36.1	175.1	80.2	0	0	0	0	112.9	A82 A83 C84 T90	A82-S86 PolarHBondContact O-N 2.85Å; A83-S86 PolarHBondContact O-N 3.49Å; A83-S86 PolarHBondContact O-OG 3.42Å; C84-S86 VanDerWaalsContact C-N 3.3Å; C84-S86 PolarHBondContact O-N 3.26Å; S86-T90 PolarHBondContact O-N 3.15Å; S86-T90 PolarHBondContact O-OG1 3.35Å
87	H	64.2	Low	57.2	Low	76 Å²	76	81.4 Å²	81.4	35%	0.352	44%	0.444	S	S	.	.	H	α-helix	trans	-71.2	-43.9	174.4	-76.6	91.3	0	0	0	112.1	A83 C84 R85 R89 T90 Q91 A260	A83-H87 PolarHBondContact O-N 3.37Å; A83-H87 PolarHBondContact O-ND1 3.34Å; C84-H87 WeakPolarHBondContact O-CB 3.28Å; C84-H87 PolarHBondContact O-N 3.42Å; C84-H87 VanDerWaalsContact O-N 3.09Å; R85-H87 VanDerWaalsContact C-N 3.33Å; R85-H87 PolarHBondContact O-N 2.86Å; H87-R89 VanDerWaalsContact C-N 3.31Å; H87-R89 PolarHBondContact O-N 3.23Å; H87-T90 WeakPolarHBondContact CA-OG1 3.49Å; H87-T90 PolarHBondContact O-N 2.95Å; H87-T90 PolarHBondContact O-OG1 3.13Å; H87-Q91 WeakPolarHBondContact O-CG 3.31Å; H87-Q91 PolarHBondContact O-N 2.8Å; H87-A260 PolarHBondContact CE1-O 2.72Å; H87-A260 PolarHBondContact NE2-O 3.47Å
88	S	58.8	Low	56.6	Low	76 Å²	76	87.5 Å²	87.5	53%	0.531	46%	0.455	S	S	.	.	H	α-helix	trans	-59.9	-40.9	175.4	-56.1	0	0	0	0	112	C84 R85 Q91 S92	C84-S88 PolarHBondContact O-N 2.96Å; C84-S88 PolarHBondContact O-OG 3.01Å; R85-S88 PolarHBondContact O-N 3.05Å; S88-Q91 PolarHBondContact O-N 3.01Å; S88-S92 VanDerWaalsContact O-CB 3.31Å; S88-S92 WeakPolarHBondContact O-CB 3.36Å; S88-S92 PolarHBondContact O-N 2.87Å
89	R	47.8	Very low	56.4	Low	199 Å²	199	91 Å²	91	75%	0.751	48%	0.478	S	S	*	.	H	α-helix	trans	-68.2	-35.4	179.3	-148.8	174	-162	174.5	6.6	112.4	R85 H87 I93	R85-R89 WeakPolarHBondContact O-CB 3.07Å; R85-R89 PolarHBondContact O-N 3.34Å; H87-R89 VanDerWaalsContact C-N 3.31Å; H87-R89 PolarHBondContact O-N 3.23Å; R89-I93 WeakPolarHBondContact O-CD1 3.34Å; R89-I93 VanDerWaalsContact O-CG1 3.3Å; R89-I93 WeakPolarHBondContact O-CG1 3.34Å; R89-I93 PolarHBondContact O-N 3.28Å
90	T	54.5	Low	55.8	Low	89 Å²	89	94 Å²	94	55%	0.546	49%	0.494	S	S	.	.	H	α-helix	trans	-75.7	-34.9	175.7	48	0	0	0	0	112.8	S86 H87 S94	S86-T90 PolarHBondContact O-N 3.15Å; S86-T90 PolarHBondContact O-OG1 3.35Å; H87-T90 WeakPolarHBondContact CA-OG1 3.49Å; H87-T90 PolarHBondContact O-N 2.95Å; H87-T90 PolarHBondContact O-OG1 3.13Å; T90-S94 PolarHBondContact O-N 3.4Å
91	Q	53.3	Low	54.9	Low	113 Å²	113	95 Å²	95	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-51.5	170.9	-71.2	-174.7	15.8	0	0	111.5	H87 S88 I93 S94 D95	H87-Q91 WeakPolarHBondContact O-CG 3.31Å; H87-Q91 PolarHBondContact O-N 2.8Å; S88-Q91 PolarHBondContact O-N 3.01Å; Q91-I93 VanDerWaalsContact C-N 3.3Å; Q91-I93 PolarHBondContact O-N 2.74Å; Q91-S94 CarbonylContact O-C 3.6Å; Q91-S94 WeakPolarHBondContact O-CA 3.45Å; Q91-S94 WeakPolarHBondContact O-CB 3.25Å; Q91-S94 PolarHBondContact O-N 2.7Å; Q91-S94 PolarHBondContact O-OG 2.78Å; Q91-D95 PolarHBondContact O-N 2.87Å
92	S	51.6	Low	54.1	Low	70 Å²	70	95.6 Å²	95.6	49%	0.49	51%	0.512	S	S	.	.	H	α-helix	trans	-51.4	-44.1	178.2	173.4	0	0	0	0	113.5	S88 S96	S88-S92 VanDerWaalsContact O-CB 3.31Å; S88-S92 WeakPolarHBondContact O-CB 3.36Å; S88-S92 PolarHBondContact O-N 2.87Å; S92-S96 VanDerWaalsContact O-CB 3.31Å; S92-S96 WeakPolarHBondContact O-CB 3.26Å; S92-S96 PolarHBondContact O-N 3.34Å; S92-S96 PolarHBondContact O-OG 3Å
93	I	54.2	Low	53.6	Low	103 Å²	103	102.3 Å²	102.3	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-38.3	175.8	-67.3	167	0	0	0	111.2	R89 Q91 T97	R89-I93 WeakPolarHBondContact O-CD1 3.34Å; R89-I93 VanDerWaalsContact O-CG1 3.3Å; R89-I93 WeakPolarHBondContact O-CG1 3.34Å; R89-I93 PolarHBondContact O-N 3.28Å; Q91-I93 VanDerWaalsContact C-N 3.3Å; Q91-I93 PolarHBondContact O-N 2.74Å; I93-T97 WeakPolarHBondContact O-CB 3.2Å; I93-T97 WeakPolarHBondContact O-CG2 3.46Å; I93-T97 PolarHBondContact O-N 2.92Å; I93-T97 VanDerWaalsContact O-N 3.11Å; I93-T97 PolarHBondContact O-OG1 3.06Å
94	S	56.1	Low	52.4	Low	56 Å²	56	108.2 Å²	108.2	39%	0.392	56%	0.562	S	S	.	*	H	α-helix	trans	-68.7	-36.4	179.5	78.8	0	0	0	0	113.3	T90 Q91 T97 R98	T90-S94 PolarHBondContact O-N 3.4Å; Q91-S94 CarbonylContact O-C 3.6Å; Q91-S94 WeakPolarHBondContact O-CA 3.45Å; Q91-S94 WeakPolarHBondContact O-CB 3.25Å; Q91-S94 PolarHBondContact O-N 2.7Å; Q91-S94 PolarHBondContact O-OG 2.78Å; S94-T97 PolarHBondContact O-OG1 3.22Å; S94-R98 WeakPolarHBondContact O-CB 3.26Å; S94-R98 PolarHBondContact O-N 2.92Å
95	D	53	Low	51	Low	87 Å²	87	115.1 Å²	115.1	47%	0.465	59%	0.589	S	S	.	*	H	α-helix	trans	-80	-37.5	178.2	-69.1	-50.2	0	0	0	112.2	Q91 T97 R98 S99	Q91-D95 PolarHBondContact O-N 2.87Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.4Å; D95-R98 PolarHBondContact O-N 2.66Å; D95-S99 PolarHBondContact O-N 3.27Å
96	S	52.9	Low	50	Low	66 Å²	66	117.1 Å²	117.1	46%	0.462	60%	0.603	S	S	.	*	H	α-helix	trans	-58.1	-42.2	172.1	-59.2	0	0	0	0	111.9	S92 R98 L100	S92-S96 VanDerWaalsContact O-CB 3.31Å; S92-S96 WeakPolarHBondContact O-CB 3.26Å; S92-S96 PolarHBondContact O-N 3.34Å; S92-S96 PolarHBondContact O-OG 3Å; S96-R98 VanDerWaalsContact C-N 3.29Å; S96-R98 PolarHBondContact O-N 2.97Å; S96-L100 PolarHBondContact O-N 2.92Å
97	T	52.5	Low	49.1	Very low	83 Å²	83	117.3 Å²	117.3	51%	0.509	62%	0.616	S	S	.	*	H	α-helix	trans	-76.9	-11.3	176.7	53.6	0	0	0	0	114.3	I93 S94 D95	I93-T97 WeakPolarHBondContact O-CB 3.2Å; I93-T97 WeakPolarHBondContact O-CG2 3.46Å; I93-T97 PolarHBondContact O-N 2.92Å; I93-T97 VanDerWaalsContact O-N 3.11Å; I93-T97 PolarHBondContact O-OG1 3.06Å; S94-T97 PolarHBondContact O-OG1 3.22Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.4Å
98	R	50.7	Low	47.7	Very low	185 Å²	185	124.6 Å²	124.6	70%	0.698	64%	0.642	S	S	*	*	H	α-helix	trans	-90.9	-40.3	173.6	-165	175.7	-171.2	-178.6	1.6	112.3	S94 D95 S96 K101 T102	S94-R98 WeakPolarHBondContact O-CB 3.26Å; S94-R98 PolarHBondContact O-N 2.92Å; D95-R98 PolarHBondContact O-N 2.66Å; S96-R98 VanDerWaalsContact C-N 3.29Å; S96-R98 PolarHBondContact O-N 2.97Å; R98-K101 PolarHBondContact O-N 3.19Å; R98-T102 PolarHBondContact O-OG1 3.08Å
99	S	51.2	Low	46.7	Very low	91 Å²	91	125.7 Å²	125.7	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-59.2	-47.5	177.3	-172.7	0	0	0	0	111.8	D95 K101 T102	D95-S99 PolarHBondContact O-N 3.27Å; S99-K101 PolarHBondContact O-N 3.32Å; S99-T102 PolarHBondContact O-N 3.18Å
100	L	47.6	Very low	46.2	Very low	144 Å²	144	122.8 Å²	122.8	75%	0.754	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-3.6	178.7	-76.1	168.6	0	0	0	115.7	S96	S96-L100 PolarHBondContact O-N 2.92Å
101	K	49.2	Very low	45.5	Very low	183 Å²	183	122.6 Å²	122.6	80%	0.796	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	6.4	174.5	-75.9	-179.8	175.6	171.7	0	114.4	R98 S99	R98-K101 PolarHBondContact O-N 3.19Å; S99-K101 PolarHBondContact O-N 3.32Å
102	T	43.3	Very low	44.9	Very low	103 Å²	103	125.3 Å²	125.3	63%	0.632	66%	0.66	S	S	*	*			trans	-127.2	36.2	-171.9	-34.5	0	0	0	0	113.9	R98 S99	R98-T102 PolarHBondContact O-OG1 3.08Å; S99-T102 PolarHBondContact O-N 3.18Å
103	I	41.7	Very low	44.5	Very low	163 Å²	163	126.9 Å²	126.9	84%	0.836	67%	0.671	S	S	*	*			trans	-90	112.1	160.4	-61.3	-179.3	0	0	0	107.6
104	K	39.1	Very low	43.8	Very low	159 Å²	159	129.5 Å²	129.5	69%	0.691	69%	0.686	S	S	*	*			trans	-77.8	154	-173.8	-74.6	171.8	149	-155.6	0	112.8	E106	K104-E106 IonicContact NZ-OE1 3.43Å; K104-E106 PolarHBondContact NZ-OE1 3.34Å
105	H	38.2	Very low	42.9	Very low	194 Å²	194	132.2 Å²	132.2	90%	0.898	70%	0.703	S	S	*	*			trans	-104.6	110.2	165.9	-139.6	-71.1	0	0	0	109.5
106	E	36.9	Very low	42.1	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	72%	0.716	S	S	*	*			trans	-137.1	126.4	169.6	-65.1	177.6	-160.2	0	0	105.6	K104	K104-E106 IonicContact NZ-OE1 3.43Å; K104-E106 PolarHBondContact NZ-OE1 3.34Å
107	G	34.6	Very low	41.5	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	73%	0.731	S	S	*	*			cis	-174.5	-148.6	-4	0	0	0	0	0	111
108	Y	34.8	Very low	40.7	Very low	229 Å²	229	142 Å²	142	90%	0.898	75%	0.751	S	S	*	*			trans	80.8	159.2	173.9	-121.8	-95	0	0	0	119.3
109	T	37.2	Very low	40	Very low	99 Å²	99	138.2 Å²	138.2	61%	0.607	75%	0.752	S	S	*	*			trans	-90.3	176.3	-159	66.1	0	0	0	0	112.9
110	D	36.8	Very low	39.4	Very low	137 Å²	137	139.3 Å²	139.3	73%	0.733	76%	0.76	S	S	*	*			cis	-163.5	161.5	29.2	-135	-46.7	0	0	0	116.8
111	S	40.6	Very low	38.8	Very low	86 Å²	86	136.7 Å²	136.7	60%	0.601	76%	0.759	S	S	*	*			trans	79.9	140.7	147.4	84.5	0	0	0	0	123.9
112	H	41.6	Very low	38.3	Very low	170 Å²	170	137 Å²	137	79%	0.787	76%	0.763	S	S	*	*			trans	70.9	98.2	152.7	-62.9	-57.3	0	0	0	124.7
113	S	42.5	Very low	37.8	Very low	103 Å²	103	140 Å²	140	72%	0.72	77%	0.77	S	S	*	*				94	104.8	119.9	69.8	0	0	0	0	122.9
114	N	40.2	Very low	37.6	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	77%	0.769	S	S	*	*				60.8	102.7	126.4	-67.8	1.2	0	0	0	123.3
115	C	36	Very low	37.3	Very low	112 Å²	112	136.8 Å²	136.8	76%	0.757	77%	0.768	S	S	*	*				88.3	102.6	110	-147.2	0	0	0	0	121
116	S	36.9	Very low	37.3	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	76%	0.761	S	S	*	*				69.4	105.7	129.7	-60.7	0	0	0	0	122.8
117	A	39.4	Very low	37.2	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	77%	0.766	S	S	*	*				104.9	134.7	111.6	0	0	0	0	0	121.6
118	R	37.2	Very low	37	Very low	243 Å²	243	142.2 Å²	142.2	92%	0.917	77%	0.772	S	S	*	*			trans	71	105.4	150.2	-87.1	-177	162.1	175	-5.3	120.9
119	S	36.1	Very low	37.1	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	77%	0.765	S	S	*	*				98.9	157.4	109.4	-163.6	0	0	0	0	119.5
120	S	37.6	Very low	37.1	Very low	113 Å²	113	140 Å²	140	79%	0.79	77%	0.771	S	S	*	*			trans	75.7	110.5	166.3	4.2	0	0	0	0	117.4
121	A	34.9	Very low	36.8	Very low	90 Å²	90	140.4 Å²	140.4	74%	0.744	77%	0.768	S	S	*	*			trans	-50.7	161.5	167.4	0	0	0	0	0	115.4
122	H	39	Very low	36.5	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.875	78%	0.782	S	S	*	*			trans	-146.6	158.5	130.5	-118.1	-79.1	0	0	0	112.3
123	E	32	Very low	36.1	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	78%	0.784	S	S	*	*			trans	-91.1	156.3	-176.4	-179.5	-175.6	173.4	0	0	111.7
124	I	38.2	Very low	35.7	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	79%	0.786	S	S	*	*			trans	163.2	126.5	136.5	-82.9	155.1	0	0	0	113.4
125	S	33.4	Very low	35.2	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	79%	0.785	S	S	*	*			trans	-33.5	145	165.1	-174.9	0	0	0	0	119.5
126	K	37.5	Very low	34.9	Very low	175 Å²	175	144.3 Å²	144.3	76%	0.761	79%	0.786	S	S	*	*				176.3	147.1	110.8	-96.8	168.3	-174.5	176.8	0	117.8
127	Q	35.5	Very low	34.8	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.813	79%	0.79	S	S	*	*			trans	68.7	121.2	145.4	-68.8	169	-86.4	0	0	122.6
128	E	28.8	Very low	34.3	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	79%	0.792	S	S	*	*			trans	-79	166.8	146.2	-58.3	179.6	116.4	0	0	110.8
129	P	38.7	Very low	34.2	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	79%	0.785	S	S	*	*				-155.3	151.8	101.8	38.3	-19.8	0	0	0	119
130	K	37.1	Very low	33.6	Very low	167 Å²	167	148.8 Å²	148.8	73%	0.726	79%	0.792	S	S	*	*			trans	68.3	124.6	137.7	-74.4	174	159.1	-85.9	0	124.1
131	E	29.8	Very low	33.4	Very low	145 Å²	145	148.3 Å²	148.3	68%	0.678	79%	0.786	S	S	*	*				49.6	115.7	126.4	-60.2	170.9	115.8	0	0	122.8
132	V	34.7	Very low	33.4	Very low	148 Å²	148	150.2 Å²	150.2	90%	0.897	79%	0.789	S	S	*	*			trans	-144.2	152.8	136.9	-176.9	0	0	0	0	109.2
133	L	32.6	Very low	32.9	Very low	157 Å²	157	151 Å²	151	82%	0.822	79%	0.789	S	S	*	*			trans	-94	172	-176	-108.1	78.5	0	0	0	114.6
134	P	34.7	Very low	33	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	79%	0.793	S	S	*	*			trans	-92.2	-175.9	-167.8	39	-39	0	0	0	115.1
135	C	28.8	Very low	32.7	Very low	123 Å²	123	144.9 Å²	144.9	83%	0.831	79%	0.787	S	S	*	*			trans	-133.1	146.5	177.1	-161.1	0	0	0	0	112.5
136	H	30.1	Very low	32.7	Very low	166 Å²	166	148.5 Å²	148.5	77%	0.769	80%	0.799	S	S	*	*			trans	-102	148.6	173.3	-85.8	-113.8	0	0	0	110.9
137	T	35.1	Very low	32.5	Very low	134 Å²	134	149.3 Å²	149.3	82%	0.822	80%	0.802	S	S	*	*			trans	-148.2	117.6	150.7	47.2	0	0	0	0	111.6
138	D	29.2	Very low	32.3	Very low	154 Å²	154	153.4 Å²	153.4	82%	0.824	81%	0.81	S	S	*	*			trans	-77.9	141.9	168.5	-64.4	-91.8	0	0	0	112.1
139	I	34.2	Very low	32.4	Very low	152 Å²	152	156.1 Å²	156.1	78%	0.779	81%	0.813	S	S	*	*			trans	-139.1	135.6	163.2	-58.3	-177.5	0	0	0	109.8
140	K	24.9	Very low	32	Very low	201 Å²	201	160.4 Å²	160.4	87%	0.874	81%	0.814	S	S	*	*			trans	-130.3	132.5	169.4	-74.5	-178.7	178	175.2	0	110.8
141	P	33	Very low	31.6	Very low	104 Å²	104	162.6 Å²	162.6	68%	0.675	82%	0.824	S	S	*	*			trans	-124.2	120.8	144.9	8.1	14.1	0	0	0	109.9
142	T	33.6	Very low	31.6	Very low	129 Å²	129	160.2 Å²	160.2	79%	0.791	82%	0.815	S	S	*	*				56.3	118.2	87.7	60.5	0	0	0	0	115.6
143	K	28.8	Very low	31.3	Very low	205 Å²	205	159.4 Å²	159.4	89%	0.891	82%	0.815	S	S	*	*			trans	-64.7	155.1	179.2	-58.1	178.3	-179.9	179.5	0	112.8
144	P	34.1	Very low	31.2	Very low	130 Å²	130	156.3 Å²	156.3	84%	0.844	81%	0.805	S	S	*	*				-110.8	166.8	112.4	33.9	-34.5	0	0	0	110.9
145	G	32.2	Very low	31	Very low	66 Å²	66	159.6 Å²	159.6	68%	0.68	81%	0.808	S	S	*	*			trans	-126	152	174.9	0	0	0	0	0	111.3
146	N	33.9	Very low	31.4	Very low	173 Å²	173	158.9 Å²	158.9	93%	0.925	80%	0.802	S	S	*	*			trans	-148.1	160.5	160.9	-98.2	-37.2	0	0	0	110.3
147	K	33.6	Very low	31.4	Very low	192 Å²	192	158.7 Å²	158.7	84%	0.835	81%	0.806	S	S	*	*			trans	-94.7	127.7	-164.3	-59.7	168.8	-177.9	172	0	111.9
148	W	29.9	Very low	31.4	Very low	259 Å²	259	161.9 Å²	161.9	98%	0.981	81%	0.809	S	S	*	*			trans	-130.4	145.8	149.7	-79.1	103.5	0	0	0	110
149	R	31.4	Very low	31.5	Very low	240 Å²	240	159 Å²	159	91%	0.906	81%	0.807	S	S	*	*			trans	-83.2	142.6	-167.7	-73.2	-176.2	178.5	-105.2	5.8	111.5
150	R	30.3	Very low	31.3	Very low	206 Å²	206	158 Å²	158	78%	0.777	81%	0.811	S	S	*	*			trans	-103.5	108.9	-178.1	-174.1	178.8	-170.7	175.8	-0.3	109.1	L152	R150-L152 VanDerWaalsContact C-N 3.31Å; R150-L152 HydrophobicContact CG-CD1 4.32Å; R150-L152 HydrophobicContact CG-CG 4.03Å; R150-L152 VanDerWaalsContact NE-CD1 3.33Å; R150-L152 PolarHBondContact O-N 3.21Å; R150-L152 VanDerWaalsContact O-N 3.12Å
151	F	29	Very low	31.6	Very low	212 Å²	212	157.2 Å²	157.2	93%	0.93	81%	0.811	S	S	*	*			trans	-78.3	87.5	163.4	-94.6	-82.8	0	0	0	108.6
152	L	29.3	Very low	31.7	Very low	96 Å²	96	158.2 Å²	158.2	50%	0.503	82%	0.817	S	S	.	*			trans	-93.4	131.1	156.6	-88.9	171.7	0	0	0	107.6	R150 C154	R150-L152 VanDerWaalsContact C-N 3.31Å; R150-L152 HydrophobicContact CG-CD1 4.32Å; R150-L152 HydrophobicContact CG-CG 4.03Å; R150-L152 VanDerWaalsContact NE-CD1 3.33Å; R150-L152 PolarHBondContact O-N 3.21Å; R150-L152 VanDerWaalsContact O-N 3.12Å; L152-C154 VanDerWaalsContact C-N 3.27Å; L152-C154 VanDerWaalsContact CB-SG 3.58Å; L152-C154 PolarHBondContact O-N 3.41Å; L152-C154 VanDerWaalsContact O-N 3.09Å
153	C	29.7	Very low	31.7	Very low	131 Å²	131	157.3 Å²	157.3	89%	0.885	82%	0.816	S	S	*	*			trans	-75.4	88.3	155.3	-70.4	0	0	0	0	107.7	F155	C153-F155 PolarHBondContact O-N 3.06Å
154	C	29.7	Very low	32.1	Very low	92 Å²	92	153.7 Å²	153.7	62%	0.622	81%	0.813	S	S	*	*			trans	-74.5	121.1	178.1	-59.8	0	0	0	0	110.6	L152 P156	L152-C154 VanDerWaalsContact C-N 3.27Å; L152-C154 VanDerWaalsContact CB-SG 3.58Å; L152-C154 PolarHBondContact O-N 3.41Å; L152-C154 VanDerWaalsContact O-N 3.09Å; C154-P156 WeakPolarHBondContact O-CD 3.45Å
155	F	30.4	Very low	32	Very low	187 Å²	187	151.9 Å²	151.9	82%	0.82	80%	0.804	S	S	*	*			trans	-75.1	125.7	146.2	-82.3	-92	0	0	0	108.2	C153	C153-F155 PolarHBondContact O-N 3.06Å
156	P	37.1	Very low	32.1	Very low	108 Å²	108	157.7 Å²	157.7	70%	0.701	81%	0.81	S	S	*	*			trans	-106	104.5	173	34.1	-23.2	0	0	0	110.7	C154 K158	C154-P156 WeakPolarHBondContact O-CD 3.45Å; P156-K158 PolarHBondContact O-N 2.93Å
157	D	31.2	Very low	32.3	Very low	162 Å²	162	156.4 Å²	156.4	87%	0.866	80%	0.799	S	S	*	*			trans	-56.3	130.3	165.7	-77.2	-57.6	0	0	0	111.2
158	K	34	Very low	32.5	Very low	200 Å²	200	155 Å²	155	87%	0.87	79%	0.793	S	S	*	*			trans	-142.9	83.2	165	-76	-154.2	172.8	-168.7	0	112.3	P156	P156-K158 PolarHBondContact O-N 2.93Å
159	A	30.5	Very low	32.9	Very low	95 Å²	95	149.5 Å²	149.5	79%	0.785	78%	0.782	S	S	*	*			trans	-64.7	137.8	148	0	0	0	0	0	109.8
160	C	30.5	Very low	33.3	Very low	130 Å²	130	143.1 Å²	143.1	88%	0.878	77%	0.774	S	S	*	*			trans	171.9	127.9	132.4	-97.3	0	0	0	0	113.3
161	H	30.8	Very low	33.7	Very low	185 Å²	185	138.6 Å²	138.6	86%	0.856	78%	0.775	S	S	*	*			trans	-70.4	173.8	152.4	-72.4	-54.1	0	0	0	110.3
162	P	36	Very low	34.3	Very low	124 Å²	124	133.9 Å²	133.9	81%	0.805	76%	0.763	S	S	*	*			cis	-137.9	-165.4	18.1	42.5	-22.2	0	0	0	115.8
163	S	33.2	Very low	34.8	Very low	110 Å²	110	139 Å²	139	77%	0.769	78%	0.781	S	S	*	*			trans	-97	156.9	-175.6	57.2	0	0	0	0	115
164	P	37.2	Very low	35.3	Very low	129 Å²	129	135.6 Å²	135.6	84%	0.838	77%	0.769	S	S	*	*			trans	-114.3	177.3	154.3	36.9	-27.7	0	0	0	112.3
165	S	32.4	Very low	35.8	Very low	92 Å²	92	138 Å²	138	64%	0.643	78%	0.781	S	S	*	*			trans	-143.4	160.1	-169.7	68.8	0	0	0	0	115.5
166	K	34.8	Very low	36.4	Very low	188 Å²	188	133.8 Å²	133.8	82%	0.817	77%	0.774	S	S	*	*			trans	73.5	142	169	-50	160.2	-179.4	168	0	114
167	Q	38	Very low	36.5	Very low	147 Å²	147	134.1 Å²	134.1	69%	0.687	78%	0.779	S	S	*	*			cis	-157.6	158.6	41.2	-79.7	-172.9	6.8	0	0	115.5
168	K	37.8	Very low	37	Very low	163 Å²	163	130.9 Å²	130.9	71%	0.709	78%	0.775	S	S	*	*			trans	90.4	134.6	135.6	-89.2	165.6	-177.5	154.6	0	123.4
169	N	37.6	Very low	37.3	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	77%	0.77	S	S	*	*			trans	76.2	136.2	150.8	-59.9	-6.8	0	0	0	118.7
170	S	40.4	Very low	37.8	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	76%	0.76	S	S	*	*			cis	-171.4	163.5	-9.5	48.9	0	0	0	0	112.7
171	S	39.2	Very low	38.2	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	76%	0.757	S	S	*	*			trans	79.7	138.6	157.2	-145.4	0	0	0	0	117.4
172	V	41	Very low	38.3	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.685	75%	0.751	S	S	*	*			cis	-161.7	144.8	-10.8	115	0	0	0	0	111.7
173	K	40.5	Very low	38.9	Very low	202 Å²	202	126.5 Å²	126.5	88%	0.878	75%	0.745	S	S	*	*			trans	46.2	142.7	159.5	-61.6	170.2	-173.3	174.4	0	121
174	G	38.8	Very low	39.2	Very low	61 Å²	61	127.9 Å²	127.9	63%	0.629	74%	0.742	S	S	*	*			cis	162.5	172.3	-7.1	0	0	0	0	0	115.1
175	T	41.1	Very low	39.4	Very low	143 Å²	143	129.2 Å²	129.2	88%	0.877	74%	0.742	S	S	*	*			trans	64.2	140.4	166.6	49.3	0	0	0	0	119.4
176	S	42	Very low	39.7	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	75%	0.745	S	S	*	*			cis	-170.6	140	-10.1	45.7	0	0	0	0	114.2
177	S	40.4	Very low	39.9	Very low	116 Å²	116	128.8 Å²	128.8	81%	0.811	75%	0.748	S	S	*	*			trans	60.9	159.5	153	61.9	0	0	0	0	120.7
178	A	41.4	Very low	40	Very low	93 Å²	93	126 Å²	126	77%	0.769	75%	0.745	S	S	*	*			cis	-176.7	-171.8	-31	0	0	0	0	0	106.8
179	K	39.9	Very low	39.8	Very low	176 Å²	176	125.5 Å²	125.5	77%	0.765	75%	0.75	S	S	*	*			cis	-165.3	144.7	-0	-160.6	-160.6	166.4	-163.8	0	110
180	S	40.1	Very low	39.9	Very low	82 Å²	82	122.8 Å²	122.8	57%	0.573	74%	0.742	S	S	*	*			trans	61.1	159.2	151.8	39.5	0	0	0	0	119.8
181	Q	40.4	Very low	39.7	Very low	178 Å²	178	124.3 Å²	124.3	83%	0.832	74%	0.742	S	S	*	*			cis	-154.3	165.4	-5.4	-121	153.4	-39.9	0	0	111.3
182	S	33.2	Very low	39.5	Very low	104 Å²	104	126.2 Å²	126.2	73%	0.727	74%	0.739	S	S	*	*			trans	-121.4	-160.3	174.5	60.7	0	0	0	0	109.6
183	P	46.8	Very low	39.4	Very low	102 Å²	102	125.7 Å²	125.7	66%	0.662	74%	0.735	S	S	*	*			cis	-128.6	-158	-26.4	26	-1.8	0	0	0	112
184	I	40.7	Very low	39.2	Very low	140 Å²	140	122.6 Å²	122.6	72%	0.718	73%	0.728	S	S	*	*			trans	143.6	115.7	132.5	-74.7	159.7	0	0	0	117.4
185	D	40.6	Very low	39.2	Very low	157 Å²	157	125.7 Å²	125.7	84%	0.84	73%	0.73	S	S	*	*			trans	49.2	141.4	140.1	-54.9	2.8	0	0	0	127.4
186	G	40	Very low	39	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	72%	0.721	S	S	*	*			trans	151.4	89.7	156.9	0	0	0	0	0	113.7
187	K	38.8	Very low	38.9	Very low	202 Å²	202	126.6 Å²	126.6	88%	0.878	72%	0.721	S	S	*	*				58.6	130.9	84.1	-74.3	-169.6	174.2	174.6	0	115.3
188	S	39.2	Very low	38.8	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	71%	0.709	S	S	*	*			cis	-165.3	167.7	-5.2	-69.2	0	0	0	0	110.4
189	N	34.8	Very low	38.6	Very low	152 Å²	152	129.2 Å²	129.2	81%	0.813	71%	0.705	S	S	*	*			trans	42.1	150	133.8	-67.6	28.9	0	0	0	121.9
190	S	38.4	Very low	38.5	Very low	86 Å²	86	129.2 Å²	129.2	60%	0.601	71%	0.706	S	S	*	*			cis	177.9	158	-0.9	46.5	0	0	0	0	111.5
191	N	37.2	Very low	38.3	Very low	138 Å²	138	130 Å²	130	74%	0.738	71%	0.711	S	S	*	*			trans	67.6	160.9	149.2	-71.7	36.8	0	0	0	119.3
192	E	35.1	Very low	38.2	Very low	152 Å²	152	128 Å²	128	71%	0.71	71%	0.711	S	S	*	*			cis	-179.2	174.7	-23.1	-169.2	-169	158.4	0	0	109
193	V	38.7	Very low	38.3	Very low	101 Å²	101	132.5 Å²	132.5	61%	0.612	72%	0.718	S	S	*	*			trans	72.6	110.4	158.8	-168.1	0	0	0	0	120.2
194	N	34.7	Very low	38.2	Very low	137 Å²	137	133.5 Å²	133.5	73%	0.733	72%	0.724	S	S	*	*			trans	43.7	175.2	131.3	-43	-6	0	0	0	120.9
195	D	38.9	Very low	38.1	Very low	126 Å²	126	131.9 Å²	131.9	67%	0.674	73%	0.731	S	S	*	*			cis	-159	143	16.3	-137.2	-9.9	0	0	0	115.4
196	L	38.1	Very low	37.8	Very low	131 Å²	131	133.9 Å²	133.9	69%	0.686	73%	0.732	S	S	*	*			trans	48.4	145.2	135	-88	176.9	0	0	0	127
197	L	40	Very low	37.6	Very low	128 Å²	128	136.7 Å²	136.7	67%	0.67	74%	0.741	S	S	*	*			trans	76.4	151.7	151.1	-59.9	157.4	0	0	0	117.9
198	N	37	Very low	37.6	Very low	106 Å²	106	130.6 Å²	130.6	57%	0.567	74%	0.736	S	S	*	*			cis	-161.1	152	1.1	-127.5	-22.1	0	0	0	112.6
199	K	37.9	Very low	37.4	Very low	158 Å²	158	132 Å²	132	69%	0.687	75%	0.746	S	S	*	*			trans	33.4	146.3	131.7	-69.2	176.7	-169.9	88.6	0	120.5
200	K	37.7	Very low	37.5	Very low	177 Å²	177	134.9 Å²	134.9	77%	0.77	75%	0.751	S	S	*	*			cis	-178.1	159.1	29.7	-132.7	172.4	-179.2	-179.7	0	112
201	S	36.7	Very low	37.3	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	76%	0.764	S	S	*	*			trans	66.1	154.1	144.8	-62.8	0	0	0	0	120.1
202	T	38.7	Very low	37.3	Very low	136 Å²	136	146 Å²	146	83%	0.834	78%	0.775	S	S	*	*			cis	-155.1	174.5	-5.3	5.2	0	0	0	0	112.2
203	K	33.3	Very low	37.2	Very low	200 Å²	200	143.6 Å²	143.6	87%	0.87	78%	0.775	S	S	*	*			trans	-90.8	-152.9	-175.9	-57.3	178.8	177	178.9	0	114
204	P	45.9	Very low	37.3	Very low	122 Å²	122	151 Å²	151	79%	0.792	79%	0.792	S	S	*	*				-130.6	176.2	-105.4	42.1	-24	0	0	0	115.9
205	A	37.6	Very low	37.2	Very low	106 Å²	106	153.9 Å²	153.9	88%	0.876	80%	0.798	S	S	*	*			trans	-167.7	149.2	151.1	0	0	0	0	0	117.8
206	K	35.6	Very low	37.3	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.865	80%	0.804	S	S	*	*			trans	-46.7	158.4	177.4	-63.5	168.9	172.8	177.8	0	121.1
207	S	36.3	Very low	37.3	Very low	128 Å²	128	156.9 Å²	156.9	90%	0.895	81%	0.814	S	S	*	*			trans	84.5	152.2	139.4	77	0	0	0	0	120.9
208	G	37	Very low	36.9	Very low	75 Å²	75	154.5 Å²	154.5	77%	0.773	82%	0.82	S	S	*	*			trans	140	63.9	165.8	0	0	0	0	0	117.6
209	S	34.9	Very low	36.9	Very low	117 Å²	117	157.8 Å²	157.8	82%	0.818	84%	0.837	S	S	*	*			trans	-63.5	138.6	-179.8	-43.2	0	0	0	0	114.7
210	K	38.9	Very low	36.6	Very low	213 Å²	213	155.1 Å²	155.1	93%	0.926	84%	0.838	S	S	*	*			trans	-166.3	136.3	133.4	-107.5	151.7	-170.6	173	0	116.1
211	K	33.4	Very low	36.7	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	83%	0.834	S	S	*	*			trans	-47.4	147.9	176	-57.3	168.3	175.8	178	0	114.8
212	R	36	Very low	36.7	Very low	256 Å²	256	154.4 Å²	154.4	97%	0.966	84%	0.839	S	S	*	*				-148.7	140.3	126.1	-134.1	170.6	-180	173.3	-1.4	112.6
213	S	33.3	Very low	36.7	Very low	103 Å²	103	154.6 Å²	154.6	72%	0.72	84%	0.835	S	S	*	*			trans	-86.1	149	-174.6	167.5	0	0	0	0	112.4
214	R	41.3	Very low	36.6	Very low	256 Å²	256	151.1 Å²	151.1	97%	0.966	83%	0.831	S	S	*	*			trans	-136	165.1	139.1	-108.8	170.8	179.2	156.9	-0.3	110
215	K	33.3	Very low	36.3	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.857	83%	0.826	S	S	*	*			trans	-138.5	125	-155.2	170.6	-175	177	179.4	0	110.9
216	S	41.3	Very low	35.9	Very low	113 Å²	113	154.3 Å²	154.3	79%	0.79	83%	0.825	S	S	*	*			trans	-149.6	101.6	170.6	49.7	0	0	0	0	111.8
217	K	36.8	Very low	35.9	Very low	207 Å²	207	150.5 Å²	150.5	90%	0.9	82%	0.821	S	S	*	*			trans	29.6	109.5	150.8	-57	179.7	179.6	-177.2	0	118.1
218	G	31.2	Very low	35.8	Very low	78 Å²	78	153.7 Å²	153.7	80%	0.804	82%	0.819	S	S	*	*			trans	-83.9	156.9	147.7	0	0	0	0	0	110.8
219	L	37.7	Very low	35.5	Very low	176 Å²	176	154.8 Å²	154.8	92%	0.921	82%	0.821	S	S	*	*			trans	-131	125.8	164	-88.6	164.1	0	0	0	106.6
220	S	31.9	Very low	35.7	Very low	102 Å²	102	157.2 Å²	157.2	71%	0.713	83%	0.825	S	S	*	*			trans	-95.9	140.6	171.8	49.2	0	0	0	0	109.4
221	V	40.5	Very low	35.3	Very low	113 Å²	113	156 Å²	156	69%	0.685	82%	0.822	S	S	*	*			trans	-131.1	111.5	165.6	-177.7	0	0	0	0	106.8	D223	V221-D223 WeakPolarHBondContact CG1-OD2 3.39Å
222	D	36.4	Very low	35.6	Very low	145 Å²	145	154.9 Å²	154.9	78%	0.775	83%	0.825	S	S	*	*			trans	-91.3	103.7	166.8	-70.3	-73.2	0	0	0	107.8	T224	D222-T224 PolarHBondContact O-N 3.43Å
223	D	37.7	Very low	35.8	Very low	140 Å²	140	148.7 Å²	148.7	75%	0.749	82%	0.816	S	S	*	*			trans	-88.7	80.6	174	-82.1	-49.1	0	0	0	110.8	V221	V221-D223 WeakPolarHBondContact CG1-OD2 3.39Å
224	T	31.5	Very low	36	Very low	128 Å²	128	149.2 Å²	149.2	79%	0.785	82%	0.816	S	S	*	*			trans	-87.7	100.2	165.2	-60.1	0	0	0	0	109.1	D222 E226	D222-T224 PolarHBondContact O-N 3.43Å; T224-E226 PolarHBondContact O-N 2.86Å
225	V	39.5	Very low	36.4	Very low	115 Å²	115	143 Å²	143	70%	0.697	81%	0.809	S	S	*	*			trans	-92.4	97.1	179	-177.7	0	0	0	0	110.8
226	E	29	Very low	36.7	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	81%	0.805	S	S	*	*			trans	-83.6	106.4	172.4	-178.1	-178.6	-134.9	0	0	110.6	T224	T224-E226 PolarHBondContact O-N 2.86Å
227	C	35.2	Very low	36.5	Very low	118 Å²	118	139.1 Å²	139.1	80%	0.797	80%	0.804	S	S	*	*			trans	-109.1	92.8	176.3	-88.1	0	0	0	0	112.3
228	K	35.2	Very low	36.7	Very low	196 Å²	196	135.9 Å²	135.9	85%	0.852	80%	0.802	S	S	*	*			trans	-3.1	131.1	160.6	-62.5	174.9	-179	176	0	117.8
229	A	31	Very low	37	Very low	98 Å²	98	141.1 Å²	141.1	81%	0.81	81%	0.805	S	S	*	*			trans	-73.8	143.3	161.6	0	0	0	0	0	111.9
230	D	38.2	Very low	37	Very low	167 Å²	167	142.3 Å²	142.3	89%	0.893	81%	0.806	S	S	*	*			trans	-125.8	143.9	154.8	-101.4	-49.1	0	0	0	108.3
231	Q	31.3	Very low	37.5	Very low	188 Å²	188	143.4 Å²	143.4	88%	0.879	81%	0.808	S	S	*	*			trans	-96.5	130.3	-171.9	-63.3	172.3	50.9	0	0	111.1
232	L	40	Very low	37.5	Very low	176 Å²	176	143.6 Å²	143.6	92%	0.921	81%	0.812	S	S	*	*			trans	-148.6	128.3	161.3	-108.4	150.4	0	0	0	112.6
233	V	40.3	Very low	37.6	Very low	127 Å²	127	144.1 Å²	144.1	77%	0.77	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-56.2	140.4	-168.6	179.7	0	0	0	0	114.8
234	P	37.5	Very low	37.4	Very low	114 Å²	114	142.5 Å²	142.5	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.6	142.1	169.6	34.6	-33.3	0	0	0	113
235	P	48.1	Very low	37.6	Very low	124 Å²	124	143 Å²	143	81%	0.805	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.8	160.3	165.6	34.2	-31.9	0	0	0	113
236	S	40.2	Very low	37.3	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.9	159.2	-170.8	47.2	0	0	0	0	117.1
237	P	37.5	Very low	37.4	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90	147.6	178.5	36.4	-35.1	0	0	0	114
238	T	39.9	Very low	37.3	Very low	139 Å²	139	140.8 Å²	140.8	85%	0.853	81%	0.805	S	S	*	*			trans	-171.3	111	152.7	4.1	0	0	0	0	111.1
239	E	37.8	Very low	37	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.883	79%	0.793	S	S	*	*				166.6	119.3	126.8	-91.5	-167.9	157.3	0	0	109
240	E	37.8	Very low	37.2	Very low	200 Å²	200	140.7 Å²	140.7	94%	0.935	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-92.1	116.2	177.4	-67.1	-175.7	145.7	0	0	109.8
241	V	43.6	Very low	36.8	Very low	126 Å²	126	138.9 Å²	138.9	76%	0.764	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.5	125.9	168.6	-178.9	0	0	0	0	108	I243	V241-I243 PolarHBondContact O-N 2.98Å
242	P	40.6	Very low	37.1	Very low	117 Å²	117	134.4 Å²	134.4	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.5	124.4	-172.8	26.2	-34.2	0	0	0	111.9
243	I	37.4	Very low	37.1	Very low	155 Å²	155	130.5 Å²	130.5	80%	0.795	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.1	169.8	-58.4	173.8	0	0	0	108	V241 T245	V241-I243 PolarHBondContact O-N 2.98Å; I243-T245 PolarHBondContact O-N 3.2Å
244	P	33.3	Very low	37.2	Very low	106 Å²	106	128.2 Å²	128.2	69%	0.688	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-68.8	120.6	176.5	27.5	-33.3	0	0	0	110.4	V246	P244-V246 PolarHBondContact O-N 3.34Å
245	T	36.5	Very low	37.5	Very low	139 Å²	139	127.1 Å²	127.1	85%	0.853	73%	0.734	S	S	*	*			trans	-67.1	99	175.3	-48.9	0	0	0	0	110	I243 S247	I243-T245 PolarHBondContact O-N 3.2Å; T245-S247 PolarHBondContact O-N 3.08Å; T245-S247 VanDerWaalsContact O-N 3.13Å
246	V	32.8	Very low	37.6	Very low	128 Å²	128	126.5 Å²	126.5	78%	0.776	73%	0.728	S	S	*	*			trans	-64.7	113.5	174.2	-178.8	0	0	0	0	108.7	P244 I248	P244-V246 PolarHBondContact O-N 3.34Å; V246-I248 PolarHBondContact O-N 3.4Å
247	S	31.9	Very low	37.9	Very low	85 Å²	85	123.8 Å²	123.8	59%	0.594	71%	0.707	S	S	*	*			trans	-66.8	123.2	178.4	-173.5	0	0	0	0	110.2	T245 F249	T245-S247 PolarHBondContact O-N 3.08Å; T245-S247 VanDerWaalsContact O-N 3.13Å; S247-F249 VanDerWaalsContact C-N 3.32Å; S247-F249 PolarHBondContact O-N 2.9Å
248	I	32.8	Very low	38.5	Very low	154 Å²	154	122.6 Å²	122.6	79%	0.79	69%	0.693	S	S	*	*			trans	-74.7	89.2	173.6	-56.7	176.5	0	0	0	108	V246 Q250	V246-I248 PolarHBondContact O-N 3.4Å; I248-Q250 PolarHBondContact O-N 2.95Å; I248-Q250 VanDerWaalsContact O-N 3.15Å
249	F	29.6	Very low	39	Very low	139 Å²	139	121.2 Å²	121.2	61%	0.61	68%	0.681	S	S	*	*			trans	-65.6	110.2	168.2	-94	-91.8	0	0	0	109.5	S247 L645	S247-F249 VanDerWaalsContact C-N 3.32Å; S247-F249 PolarHBondContact O-N 2.9Å; F249-L645 HydrophobicContact CD1-CD2 4.04Å; F249-L645 HydrophobicContact CE1-CD2 3.84Å
250	Q	34	Very low	39.4	Very low	153 Å²	153	114 Å²	114	72%	0.715	65%	0.653	S	S	*	*			trans	-74.1	129.5	162.3	-69	-171.1	-22.1	0	0	108.4	I248 V252	I248-Q250 PolarHBondContact O-N 2.95Å; I248-Q250 VanDerWaalsContact O-N 3.15Å; Q250-V252 PolarHBondContact O-N 3.02Å
251	P	30.8	Very low	39.8	Very low	128 Å²	128	110.4 Å²	110.4	83%	0.831	64%	0.639	S	S	*	*			trans	-69.4	103.5	174.6	27.6	-33	0	0	0	109.4
252	V	37.6	Very low	39.5	Very low	94 Å²	94	106.9 Å²	106.9	57%	0.57	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-84.5	122.2	172	-178.4	0	0	0	0	107.9	Q250	Q250-V252 PolarHBondContact O-N 3.02Å
253	L	39	Very low	39.3	Very low	95 Å²	95	105.8 Å²	105.8	50%	0.497	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-58.3	133.4	171.8	-81.2	163.7	0	0	0	109.6	V257 L261	L253-V257 HydrophobicContact CB-CB 4.5Å; L253-V257 HydrophobicContact CD2-CB 4.44Å; L253-V257 HydrophobicContact CD2-CG1 4.08Å; L253-L261 HydrophobicContact CD1-CD1 4.07Å
254	P	41.9	Very low	39.1	Very low	78 Å²	78	107.4 Å²	107.4	51%	0.506	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-52.1	145.8	-180	-28.1	34.7	0	0	0	112.2	T256 V257 L258	P254-T256 PolarHBondContact O-N 2.94Å; P254-V257 HydrophobicContact CB-CG2 4.36Å; P254-V257 HydrophobicContact CG-CG2 4.48Å; P254-V257 WeakPolarHBondContact O-CA 3.31Å; P254-V257 PolarHBondContact O-N 3.26Å; P254-L258 PolarHBondContact O-N 3.42Å
255	S	45.5	Very low	39.2	Very low	92 Å²	92	106.9 Å²	106.9	64%	0.643	63%	0.63	S	S	*	*	H	α-helix	trans	-53	-32.8	-175.4	-51.9	0	0	0	0	113.3	L258 N259	S255-L258 PolarHBondContact O-N 2.7Å; S255-N259 VanDerWaalsContact O-CB 3.3Å; S255-N259 WeakPolarHBondContact O-CB 3.47Å; S255-N259 PolarHBondContact O-N 3.3Å; S255-N259 PolarHBondContact O-ND2 3.34Å
256	T	50.3	Low	39.1	Very low	110 Å²	110	107.8 Å²	107.8	68%	0.675	63%	0.629	S	S	*	*	H	α-helix	trans	-61.6	-43.3	171.6	32.7	0	0	0	0	113.2	P254 N259 A260	P254-T256 PolarHBondContact O-N 2.94Å; T256-N259 PolarHBondContact O-N 3.2Å; T256-A260 WeakPolarHBondContact O-CB 3.29Å; T256-A260 PolarHBondContact O-N 3.45Å
257	V	44.6	Very low	39.1	Very low	54 Å²	54	107.4 Å²	107.4	33%	0.327	63%	0.632	S	S	.	*	H	α-helix	trans	-73.7	-36.5	176.5	-168.3	0	0	0	0	111	L253 P254 N259 A260 L261	L253-V257 HydrophobicContact CB-CB 4.5Å; L253-V257 HydrophobicContact CD2-CB 4.44Å; L253-V257 HydrophobicContact CD2-CG1 4.08Å; P254-V257 HydrophobicContact CB-CG2 4.36Å; P254-V257 HydrophobicContact CG-CG2 4.48Å; P254-V257 WeakPolarHBondContact O-CA 3.31Å; P254-V257 PolarHBondContact O-N 3.26Å; V257-N259 VanDerWaalsContact C-N 3.33Å; V257-N259 PolarHBondContact O-N 2.89Å; V257-A260 PolarHBondContact O-N 3.41Å; V257-L261 HydrophobicContact CG1-CD1 4.15Å; V257-L261 WeakPolarHBondContact O-CB 3.45Å; V257-L261 WeakPolarHBondContact O-CG 3.18Å; V257-L261 PolarHBondContact O-N 3.26Å
258	L	50.2	Low	39.2	Very low	94 Å²	94	108.4 Å²	108.4	49%	0.492	64%	0.64	S	S	.	*	H	α-helix	trans	-62.1	-39.5	172.1	-110.2	168.9	0	0	0	112	P254 S255 L261 G262	P254-L258 PolarHBondContact O-N 3.42Å; S255-L258 PolarHBondContact O-N 2.7Å; L258-L261 CarbonylContact O-C 3.54Å; L258-L261 PolarHBondContact O-N 3.31Å; L258-G262 WeakPolarHBondContact O-CA 3.34Å; L258-G262 PolarHBondContact O-N 3.17Å
259	N	51.8	Low	39.3	Very low	110 Å²	110	108.2 Å²	108.2	59%	0.588	64%	0.639	S	S	*	*	H	α-helix	trans	-71.4	-36.5	174.1	-70.7	-19	0	0	0	112.4	S255 T256 V257 L261 G262 S263	S255-N259 VanDerWaalsContact O-CB 3.3Å; S255-N259 WeakPolarHBondContact O-CB 3.47Å; S255-N259 PolarHBondContact O-N 3.3Å; S255-N259 PolarHBondContact O-ND2 3.34Å; T256-N259 PolarHBondContact O-N 3.2Å; V257-N259 VanDerWaalsContact C-N 3.33Å; V257-N259 PolarHBondContact O-N 2.89Å; N259-L261 VanDerWaalsContact C-N 3.3Å; N259-L261 PolarHBondContact O-N 2.65Å; N259-G262 CarbonylContact O-C 3.57Å; N259-G262 PolarHBondContact O-N 3.17Å; N259-G262 VanDerWaalsContact O-N 3.14Å; N259-S263 VanDerWaalsContact O-CB 3.31Å; N259-S263 WeakPolarHBondContact O-CB 3.27Å; N259-S263 PolarHBondContact O-N 3.13Å; N259-S263 VanDerWaalsContact O-N 3.16Å; N259-S263 PolarHBondContact O-OG 2.81Å
260	A	46.5	Very low	39.6	Very low	37 Å²	37	108.4 Å²	108.4	31%	0.306	64%	0.641	S	S	.	*	H	α-helix	trans	-66.4	-30.3	173.2	0	0	0	0	0	112.6	H87 T256 V257	H87-A260 PolarHBondContact CE1-O 2.72Å; H87-A260 PolarHBondContact NE2-O 3.47Å; T256-A260 WeakPolarHBondContact O-CB 3.29Å; T256-A260 PolarHBondContact O-N 3.45Å; V257-A260 PolarHBondContact O-N 3.41Å
261	L	44.6	Very low	39.7	Very low	124 Å²	124	104.8 Å²	104.8	65%	0.649	63%	0.633	S	S	*	*	S	Bend	trans	-86.3	-10.4	171.2	-68.1	167.9	0	0	0	113.4	L253 V257 L258 N259	L253-L261 HydrophobicContact CD1-CD1 4.07Å; V257-L261 HydrophobicContact CG1-CD1 4.15Å; V257-L261 WeakPolarHBondContact O-CB 3.45Å; V257-L261 WeakPolarHBondContact O-CG 3.18Å; V257-L261 PolarHBondContact O-N 3.26Å; L258-L261 CarbonylContact O-C 3.54Å; L258-L261 PolarHBondContact O-N 3.31Å; N259-L261 VanDerWaalsContact C-N 3.3Å; N259-L261 PolarHBondContact O-N 2.65Å
262	G	38.5	Very low	39.9	Very low	53 Å²	53	103.4 Å²	103.4	55%	0.546	63%	0.632	S	S	.	*	S	Bend	trans	-126.3	13.9	-162.7	0	0	0	0	0	116.1	L258 N259 K264	L258-G262 WeakPolarHBondContact O-CA 3.34Å; L258-G262 PolarHBondContact O-N 3.17Å; N259-G262 CarbonylContact O-C 3.57Å; N259-G262 PolarHBondContact O-N 3.17Å; N259-G262 VanDerWaalsContact O-N 3.14Å; G262-K264 PolarHBondContact O-N 3Å
263	S	35.7	Very low	39.6	Very low	93 Å²	93	104.3 Å²	104.3	65%	0.65	64%	0.642	S	S	*	*			trans	-96.1	67.3	-172.3	34.1	0	0	0	0	114.1	N259	N259-S263 VanDerWaalsContact O-CB 3.31Å; N259-S263 WeakPolarHBondContact O-CB 3.27Å; N259-S263 PolarHBondContact O-N 3.13Å; N259-S263 VanDerWaalsContact O-N 3.16Å; N259-S263 PolarHBondContact O-OG 2.81Å
264	K	32.7	Very low	39.3	Very low	190 Å²	190	106.5 Å²	106.5	83%	0.826	66%	0.659	S	S	*	*			trans	-152.7	58.2	161.4	-133.6	164.5	-166.6	165.2	0	115	G262	G262-K264 PolarHBondContact O-N 3Å
265	A	35.5	Very low	38.8	Very low	94 Å²	94	106.8 Å²	106.8	78%	0.777	66%	0.663	S	S	*	*			trans	-141.4	66.8	174.2	0	0	0	0	0	111.8
266	D	35.8	Very low	38.2	Very low	158 Å²	158	109.5 Å²	109.5	85%	0.845	67%	0.671	S	S	*	*			trans	-59	150.6	168.7	-71.6	-61.5	0	0	0	112
267	S	32.3	Very low	37.2	Very low	120 Å²	120	107.3 Å²	107.3	84%	0.839	67%	0.67	S	S	*	*			trans	-71.8	126	-164.2	55.6	0	0	0	0	115.1
268	S	34.5	Very low	36.6	Very low	107 Å²	107	116.1 Å²	116.1	75%	0.748	70%	0.699	S	S	*	*			trans	-156.6	79	160.8	65.2	0	0	0	0	114.7
269	I	34.1	Very low	35.5	Very low	150 Å²	150	116.2 Å²	116.2	77%	0.769	71%	0.708	S	S	*	*				56	129.7	126.3	-64	173.5	0	0	0	120.9
270	H	36.8	Very low	34.6	Very low	142 Å²	142	120.3 Å²	120.3	66%	0.657	72%	0.721	S	S	*	*			trans	77.9	107.9	158.6	-72.4	-41	0	0	0	122.9
271	S	35.7	Very low	34.1	Very low	78 Å²	78	124.4 Å²	124.4	55%	0.545	74%	0.737	S	S	.	*				24.9	148.9	117.1	60.3	0	0	0	0	121.1
272	A	35.4	Very low	33.6	Very low	99 Å²	99	125.8 Å²	125.8	82%	0.818	75%	0.745	S	S	*	*			cis	-152.5	-169.4	25.2	0	0	0	0	0	114.9
273	S	31.4	Very low	33.6	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	75%	0.754	S	S	*	*			trans	-111.5	155.9	-165.9	57.7	0	0	0	0	116.6
274	V	31.2	Very low	33.6	Very low	141 Å²	141	131.5 Å²	131.5	86%	0.855	76%	0.762	S	S	*	*			trans	-146.2	142	160.6	-178.9	0	0	0	0	108.5
275	S	31.8	Very low	33.7	Very low	84 Å²	84	128.2 Å²	128.2	59%	0.587	76%	0.758	S	S	*	*			cis	-167	173.5	-36.8	67	0	0	0	0	107.3
276	N	32.8	Very low	33.5	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	76%	0.762	S	S	*	*			trans	74.5	136.7	177.4	-39.4	-11.3	0	0	0	112.8
277	G	29.1	Very low	33.5	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	76%	0.759	S	S	*	*			cis	92.5	122.7	19.3	0	0	0	0	0	109.3
278	Y	31.7	Very low	33.5	Very low	238 Å²	238	136.7 Å²	136.7	93%	0.933	76%	0.757	S	S	*	*			cis	-133.8	167.6	31.3	-86.3	-107.4	0	0	0	113.7
279	S	28.3	Very low	33.4	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	76%	0.76	S	S	*	*			trans	-101.3	147.5	162.2	173.3	0	0	0	0	110.2
280	F	33.2	Very low	33.3	Very low	197 Å²	197	135.4 Å²	135.4	86%	0.864	76%	0.756	S	S	*	*			trans	-160.3	155.1	142.4	-128.5	-86.9	0	0	0	111.5
281	N	35.1	Very low	33	Very low	122 Å²	122	134.5 Å²	134.5	65%	0.652	76%	0.761	S	S	*	*			trans	-87.4	144.9	178.2	-39.4	-58	0	0	0	111
282	D	34.7	Very low	32.8	Very low	153 Å²	153	137 Å²	137	82%	0.818	77%	0.767	S	S	*	*				174.3	157.6	97.8	-98.7	-30.9	0	0	0	111.4
283	P	38.2	Very low	32.5	Very low	111 Å²	111	143.1 Å²	143.1	72%	0.721	77%	0.769	S	S	*	*			trans	-99.4	143.2	175.4	36.4	-30.1	0	0	0	112.7
284	D	35.1	Very low	32.5	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	77%	0.77	S	S	*	*				-176.7	-179	129.6	-133.9	-36.5	0	0	0	113.6
285	V	35.7	Very low	32.3	Very low	121 Å²	121	142.9 Å²	142.9	73%	0.733	77%	0.768	S	S	*	*			trans	81.4	83.1	161.9	-159.8	0	0	0	0	118.9
286	R	30.4	Very low	32.3	Very low	226 Å²	226	145.2 Å²	145.2	85%	0.853	78%	0.779	S	S	*	*			trans	-9.2	140.4	134.8	-60.3	169.9	167.3	177.5	-4.1	117.6
287	I	36.4	Very low	32	Very low	153 Å²	153	141.4 Å²	141.4	79%	0.785	77%	0.774	S	S	*	*				175.8	133.5	112.6	-90.8	157.8	0	0	0	113.4
288	E	32.9	Very low	32.1	Very low	171 Å²	171	145.7 Å²	145.7	80%	0.799	78%	0.78	S	S	*	*			trans	13.9	114.4	154.1	-51.7	-177.9	147.7	0	0	123.2
289	S	30.4	Very low	31.8	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	77%	0.773	S	S	*	*				66.3	167.9	106	-152.2	0	0	0	0	122.7
290	T	33.4	Very low	31.9	Very low	114 Å²	114	140.8 Å²	140.8	70%	0.699	78%	0.776	S	S	*	*			trans	94.3	79.1	153.3	-33.1	0	0	0	0	120.2
291	V	30.6	Very low	31.5	Very low	124 Å²	124	138.6 Å²	138.6	75%	0.752	77%	0.773	S	S	*	*				96.7	142.3	113.3	104.1	0	0	0	0	124.1
292	L	32	Very low	31.4	Very low	129 Å²	129	139.6 Å²	139.6	68%	0.675	78%	0.783	S	S	*	*			trans	77.1	120.1	154.1	-68.2	176.6	0	0	0	123.9
293	R	28.5	Very low	31.2	Very low	229 Å²	229	137.9 Å²	137.9	86%	0.864	78%	0.783	S	S	*	*			trans	40.5	130.7	130	-65.3	179.9	-177.7	168.1	-1.7	120.4
294	S	30.1	Very low	30.7	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	79%	0.793	S	S	*	*				-171.3	154.9	81.7	-162.7	0	0	0	0	113.6
295	T	28	Very low	30.4	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	78%	0.784	S	S	*	*			trans	-90.3	134.1	174.5	-50.1	0	0	0	0	111.1
296	V	32.3	Very low	30.2	Very low	134 Å²	134	143 Å²	143	81%	0.812	79%	0.791	S	S	*	*			trans	-138.8	126.5	154.3	-178.6	0	0	0	0	107.9
297	G	26	Very low	30.1	Very low	68 Å²	68	141.7 Å²	141.7	70%	0.701	79%	0.788	S	S	*	*			trans	-99.7	148.1	174.6	0	0	0	0	0	111.9
298	I	31	Very low	29.8	Very low	156 Å²	156	139.5 Å²	139.5	80%	0.8	78%	0.783	S	S	*	*			trans	-126.3	129.7	168.3	-63.5	179.3	0	0	0	107.8	V300	I298-V300 HydrophobicContact CG2-CG2 4.23Å
299	S	25.2	Very low	29.6	Very low	111 Å²	111	142 Å²	142	78%	0.776	79%	0.792	S	S	*	*			trans	-100.5	136.2	175	178.9	0	0	0	0	110.1
300	V	30.9	Very low	29.5	Very low	120 Å²	120	144.9 Å²	144.9	73%	0.727	79%	0.793	S	S	*	*			trans	-137.8	122.6	171.1	-173.6	0	0	0	0	109.1	I298	I298-V300 HydrophobicContact CG2-CG2 4.23Å
301	N	24.8	Very low	29.1	Very low	151 Å²	151	148.5 Å²	148.5	81%	0.807	80%	0.799	S	S	*	*			trans	-77.2	137.3	171.3	-72	-35	0	0	0	110.8
302	T	32	Very low	29.1	Very low	142 Å²	142	149.5 Å²	149.5	87%	0.871	81%	0.805	S	S	*	*			trans	-142.1	152.5	148.8	34.5	0	0	0	0	111.2
303	S	32.2	Very low	29	Very low	117 Å²	117	147.2 Å²	147.2	82%	0.818	81%	0.806	S	S	*	*			trans	-90.1	166.7	-169.4	43.9	0	0	0	0	114.4
304	K	26.8	Very low	29	Very low	213 Å²	213	145.2 Å²	145.2	93%	0.926	81%	0.811	S	S	*	*			trans	-49.9	138.2	177.1	-61.7	179.6	177.7	-176.7	0	113.2
305	S	29.6	Very low	29.2	Very low	92 Å²	92	149 Å²	149	64%	0.643	81%	0.813	S	S	*	*			trans	-146	145.2	148.2	54.2	0	0	0	0	109.7
306	H	30.2	Very low	29.1	Very low	190 Å²	190	154.1 Å²	154.1	88%	0.88	82%	0.817	S	S	*	*			trans	-78	141.3	170.3	-87.4	-124.8	0	0	0	109.5
307	Y	28.3	Very low	29.3	Very low	200 Å²	200	155.4 Å²	155.4	78%	0.784	81%	0.814	S	S	*	*			trans	-132.3	126.9	160.2	-84	-85.1	0	0	0	109.7
308	P	30.3	Very low	29.5	Very low	107 Å²	107	158 Å²	158	70%	0.695	82%	0.817	S	S	*	*			trans	-78.8	141.6	168.2	32.9	-32.1	0	0	0	109.7	Q310	P308-Q310 PolarHBondContact O-N 3.07Å
309	F	29.1	Very low	29.7	Very low	223 Å²	223	155.3 Å²	155.3	98%	0.978	81%	0.812	S	S	*	*			trans	-73.7	112.5	167.4	-88.9	-86.7	0	0	0	109.6
310	Q	27.4	Very low	30	Very low	176 Å²	176	156.5 Å²	156.5	82%	0.822	81%	0.809	S	S	*	*			trans	-127.9	149	173.3	-150	176.2	24	0	0	110.6	P308	P308-Q310 PolarHBondContact O-N 3.07Å
311	F	26.4	Very low	30.1	Very low	190 Å²	190	156.9 Å²	156.9	83%	0.833	81%	0.807	S	S	*	*			trans	-43	153.5	179.7	-113.9	-105.9	0	0	0	115.7
312	T	30.7	Very low	30.6	Very low	144 Å²	144	153 Å²	153	88%	0.883	79%	0.789	S	S	*	*			trans	-152.5	139.4	135.1	-1.1	0	0	0	0	111.6
313	A	28.4	Very low	30.7	Very low	82 Å²	82	156.8 Å²	156.8	68%	0.678	79%	0.789	S	S	*	*			trans	-97.7	145.1	177.2	0	0	0	0	0	111
314	L	29.8	Very low	30.7	Very low	186 Å²	186	153.9 Å²	153.9	97%	0.974	78%	0.778	S	S	*	*			trans	-81.8	145.2	174.2	-123.3	73.9	0	0	0	112
315	K	34.5	Very low	30.9	Very low	196 Å²	196	151.2 Å²	151.2	85%	0.852	78%	0.779	S	S	*	*			trans	-110.5	139.6	-170.9	-135.6	175.8	-176.6	-178.7	0	110.5
316	R	25.8	Very low	31	Very low	238 Å²	238	155.3 Å²	155.3	90%	0.898	79%	0.785	S	S	*	*			trans	-88.2	146.6	178.4	-65.6	179.7	178.5	170.2	-2.3	112.6
317	H	34.8	Very low	31.1	Very low	161 Å²	161	154 Å²	154	75%	0.745	78%	0.784	S	S	*	*			trans	-153.7	112.9	159.6	-86.9	-74.1	0	0	0	107.3
318	T	30.8	Very low	31.1	Very low	124 Å²	124	148.4 Å²	148.4	76%	0.761	77%	0.771	S	S	*	*				57.6	127.6	103.8	58.4	0	0	0	0	114.6
319	S	34.9	Very low	31.3	Very low	99 Å²	99	150.6 Å²	150.6	69%	0.692	78%	0.777	S	S	*	*			cis	-170.8	159.1	18.4	51.2	0	0	0	0	113.8
320	N	31.6	Very low	31.3	Very low	136 Å²	136	147.8 Å²	147.8	73%	0.727	77%	0.772	S	S	*	*			trans	48.1	147.8	137.8	-69.8	61.6	0	0	0	122.2
321	D	34.3	Very low	31.7	Very low	127 Å²	127	144.6 Å²	144.6	68%	0.679	78%	0.775	S	S	*	*			cis	-148.6	140.2	7.6	-81.4	-46.6	0	0	0	111.4
322	V	35.1	Very low	31.7	Very low	70 Å²	70	144.2 Å²	144.2	42%	0.424	78%	0.776	S	S	.	*				81.7	138.2	90	-166	0	0	0	0	119.3
323	Y	33.1	Very low	31.7	Very low	221 Å²	221	142 Å²	142	87%	0.867	77%	0.765	S	S	*	*			trans	75.8	143.1	174	-69.9	-68	0	0	0	119.8
324	G	32.2	Very low	31.8	Very low	57 Å²	57	146.3 Å²	146.3	59%	0.588	77%	0.772	S	S	*	*			cis	165.8	161.9	-12.6	0	0	0	0	0	116.8
325	T	32.5	Very low	31.6	Very low	156 Å²	156	145 Å²	145	96%	0.957	77%	0.766	S	S	*	*			trans	91.4	172.9	173.1	76.7	0	0	0	0	119.5
326	K	31.3	Very low	31.7	Very low	178 Å²	178	141.1 Å²	141.1	77%	0.774	76%	0.76	S	S	*	*			trans	-167.1	132	-158.3	171.2	-144.3	170.4	-172	0	115.1
327	L	31.1	Very low	31.7	Very low	162 Å²	162	136.2 Å²	136.2	85%	0.848	76%	0.757	S	S	*	*			trans	-152.2	114.4	157.8	-79.2	165.9	0	0	0	107.6
328	T	29.9	Very low	31.6	Very low	83 Å²	83	134.1 Å²	134.1	51%	0.509	76%	0.756	S	S	.	*				68.1	117	69.6	63.9	0	0	0	0	116.6
329	D	33.7	Very low	31.7	Very low	153 Å²	153	136.7 Å²	136.7	82%	0.818	76%	0.759	S	S	*	*				-171.3	166.9	118.2	-91.3	-10.7	0	0	0	111.7
330	N	29.6	Very low	31.3	Very low	165 Å²	165	137.8 Å²	137.8	88%	0.882	76%	0.761	S	S	*	*			trans	-116.7	155.7	-165.6	-50.8	-54.4	0	0	0	113.8
331	A	34.6	Very low	31.3	Very low	108 Å²	108	140.4 Å²	140.4	89%	0.893	77%	0.769	S	S	*	*			trans	-150	164.5	159	0	0	0	0	0	110.3
332	E	27.5	Very low	31.1	Very low	183 Å²	183	141.2 Å²	141.2	86%	0.855	77%	0.774	S	S	*	*			trans	-137.8	176.1	-157.6	-161.3	179.4	164.2	0	0	112.5
333	C	30.2	Very low	31.2	Very low	96 Å²	96	144.6 Å²	144.6	65%	0.649	80%	0.795	S	S	*	*			trans	79.6	148.8	173.4	-58.3	0	0	0	0	116.5
334	Q	31.6	Very low	31.1	Very low	174 Å²	174	142 Å²	142	81%	0.813	80%	0.796	S	S	*	*			cis	-161	156.9	-8.5	-115.1	164.5	40.2	0	0	110.1
335	N	25.3	Very low	31.2	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	80%	0.804	S	S	*	*			trans	-92.1	145.8	172.3	-76.5	-9.4	0	0	0	112.3
336	P	35.6	Very low	31.3	Very low	114 Å²	114	142.6 Å²	142.6	74%	0.74	80%	0.795	S	S	*	*			trans	-95.1	152	166	35.8	-31.3	0	0	0	112.9
337	T	26.5	Very low	31.2	Very low	135 Å²	135	142.9 Å²	142.9	83%	0.828	80%	0.799	S	S	*	*			trans	-137.7	123.1	171.1	-59.7	0	0	0	0	109.2
338	T	33	Very low	31.3	Very low	117 Å²	117	141 Å²	141	72%	0.718	80%	0.8	S	S	*	*			trans	-142.3	88	-174.6	-42.1	0	0	0	0	109.6
339	Q	31.6	Very low	31.2	Very low	177 Å²	177	141 Å²	141	83%	0.827	81%	0.808	S	S	*	*				85.6	152.5	109.3	-72.6	-168.5	42.2	0	0	115.6
340	V	27.4	Very low	31.2	Very low	122 Å²	122	142.6 Å²	142.6	74%	0.739	81%	0.811	S	S	*	*			trans	-127.9	131.4	-173.8	174	0	0	0	0	108.3
341	E	32.1	Very low	31.3	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	81%	0.808	S	S	*	*			trans	-118	127.2	166.8	-71.6	-163.1	128.1	0	0	110.7
342	N	29.2	Very low	31	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	80%	0.8	S	S	*	*			trans	-102.9	131.5	171.3	-81.1	-38.2	0	0	0	109.4
343	T	37.4	Very low	31.2	Very low	141 Å²	141	142.5 Å²	142.5	87%	0.865	80%	0.797	S	S	*	*			trans	-131.4	140.3	161.7	51.8	0	0	0	0	110.3
344	N	31	Very low	31.1	Very low	167 Å²	167	145.5 Å²	145.5	89%	0.893	80%	0.801	S	S	*	*			trans	-98	146	-171.6	-62.9	-61.2	0	0	0	111.5
345	G	33.8	Very low	31.1	Very low	74 Å²	74	145.8 Å²	145.8	76%	0.763	80%	0.803	S	S	*	*			trans	-157.9	49.6	-170.8	0	0	0	0	0	118
346	I	33.9	Very low	31.1	Very low	150 Å²	150	146.9 Å²	146.9	77%	0.769	80%	0.803	S	S	*	*			trans	46.4	118.7	146.2	-58.1	175	0	0	0	119.5
347	E	29.3	Very low	30.9	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	80%	0.801	S	S	*	*			trans	35.4	139.6	141.1	-53.9	178.9	129	0	0	120.7
348	S	33.7	Very low	30.9	Very low	122 Å²	122	148.4 Å²	148.4	85%	0.853	80%	0.802	S	S	*	*			cis	-159.7	170.2	46	-168.7	0	0	0	0	113.2
349	A	27.8	Very low	30.6	Very low	83 Å²	83	148.2 Å²	148.2	69%	0.686	80%	0.803	S	S	*	*			trans	-103.8	162.1	-168.9	0	0	0	0	0	114.6
350	H	33.1	Very low	30.6	Very low	188 Å²	188	148.4 Å²	148.4	87%	0.87	81%	0.808	S	S	*	*			trans	-153.5	162.3	151.5	-110.1	-79.2	0	0	0	112.2
351	H	33.1	Very low	30.6	Very low	179 Å²	179	151 Å²	151	83%	0.829	81%	0.812	S	S	*	*			trans	-68.6	150.5	-154.2	-79.8	-73.1	0	0	0	119.7
352	V	27.5	Very low	30.4	Very low	119 Å²	119	146.5 Å²	146.5	72%	0.721	80%	0.802	S	S	*	*			trans	-87.2	145.5	156.9	173.1	0	0	0	0	110.6
353	I	32.2	Very low	30.7	Very low	155 Å²	155	145.2 Å²	145.2	80%	0.795	80%	0.801	S	S	*	*			trans	-133.4	124.6	159	-62.7	-178.6	0	0	0	109.2
354	H	27.3	Very low	30.1	Very low	159 Å²	159	150 Å²	150	74%	0.736	80%	0.804	S	S	*	*			trans	-90.2	145.2	168	-93.3	-79.1	0	0	0	110.9
355	Q	33.1	Very low	30.1	Very low	181 Å²	181	149.1 Å²	149.1	85%	0.846	80%	0.804	S	S	*	*			trans	-137.5	139.8	149.7	-73.3	-164.4	-9.8	0	0	111.2
356	Q	24.7	Very low	29.7	Very low	182 Å²	182	153.8 Å²	153.8	85%	0.85	81%	0.806	S	S	*	*			trans	-135.4	127.5	171.2	-77.2	-177.6	-23.1	0	0	108.5
357	S	30.9	Very low	29.5	Very low	102 Å²	102	152.4 Å²	152.4	71%	0.713	81%	0.808	S	S	*	*			trans	-169.2	105.3	162.7	47	0	0	0	0	108.7
358	Q	27.1	Very low	29.6	Very low	179 Å²	179	150.9 Å²	150.9	84%	0.836	81%	0.806	S	S	*	*				83.5	115.1	80	-76.7	-77.1	-12.1	0	0	112.7
359	P	26.4	Very low	29.6	Very low	113 Å²	113	153.8 Å²	153.8	73%	0.734	81%	0.805	S	S	*	*			trans	-89.3	161.9	-177.7	36.5	-35.6	0	0	0	113.5
360	L	30.9	Very low	30	Very low	180 Å²	180	155 Å²	155	94%	0.942	81%	0.807	S	S	*	*			trans	-132.4	159.1	172.5	-77.9	171.6	0	0	0	111.5
361	H	28.2	Very low	30.1	Very low	176 Å²	176	154 Å²	154	82%	0.815	81%	0.808	S	S	*	*			trans	-143.6	143.8	-147.9	-165.5	-102.6	0	0	0	113.9
362	S	27.6	Very low	30.1	Very low	99 Å²	99	149.3 Å²	149.3	69%	0.692	81%	0.808	S	S	*	*			trans	66.4	172.5	161.3	77.8	0	0	0	0	118.9
363	P	36.3	Very low	30.3	Very low	117 Å²	117	151.1 Å²	151.1	76%	0.76	81%	0.813	S	S	*	*			cis	-126.6	175.3	-11.7	18.3	6.3	0	0	0	115.1
364	W	24.6	Very low	30.5	Very low	241 Å²	241	152.9 Å²	152.9	91%	0.913	82%	0.818	S	S	*	*			trans	-89	159.7	175.1	-69.7	75.3	0	0	0	113.6
365	V	30.6	Very low	30.6	Very low	148 Å²	148	153.8 Å²	153.8	90%	0.897	82%	0.82	S	S	*	*			trans	-138	144.2	152.9	-178.5	0	0	0	0	108.6
366	E	24.5	Very low	30.6	Very low	173 Å²	173	152 Å²	152	81%	0.808	82%	0.821	S	S	*	*			trans	-132.4	142.8	-166.9	177.4	175.7	-138.8	0	0	110.1
367	C	30.6	Very low	30.8	Very low	120 Å²	120	147.9 Å²	147.9	81%	0.811	81%	0.812	S	S	*	*			trans	-163.3	96.5	172.6	-104.1	0	0	0	0	113.4
368	D	32.3	Very low	30.9	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	82%	0.816	S	S	*	*			trans	51.2	151.7	139.9	-57	-27.7	0	0	0	125.3
369	H	32.2	Very low	31.3	Very low	183 Å²	183	147 Å²	147	85%	0.847	81%	0.814	S	S	*	*			trans	-120.9	163	176.9	-96.1	22.1	0	0	0	108.5
370	P	36.9	Very low	31.4	Very low	109 Å²	109	147.1 Å²	147.1	71%	0.708	82%	0.817	S	S	*	*				-158.2	163.1	82.7	40.9	-19.2	0	0	0	120
371	D	34.3	Very low	31.5	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	81%	0.806	S	S	*	*			trans	55	136	141.7	-57.6	-14	0	0	0	124.7
372	G	33.5	Very low	31.5	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	81%	0.807	S	S	*	*			trans	174	96.2	165.4	0	0	0	0	0	114.8
373	N	31.7	Very low	31.7	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	81%	0.811	S	S	*	*			trans	-75.2	151.6	179	-74.7	-41.1	0	0	0	114
374	H	36.7	Very low	31.3	Very low	191 Å²	191	149.4 Å²	149.4	88%	0.884	82%	0.816	S	S	*	*			trans	-160.7	139.9	132.4	-121.8	-79.3	0	0	0	115
375	F	29.9	Very low	31.5	Very low	178 Å²	178	148 Å²	148	78%	0.781	81%	0.811	S	S	*	*			trans	-91.4	149.9	171.4	-92.9	-114.1	0	0	0	111.9
376	V	33.1	Very low	31.2	Very low	143 Å²	143	145.8 Å²	145.8	87%	0.867	80%	0.803	S	S	*	*			trans	-151.1	150.3	131.4	-178.1	0	0	0	0	108.4
377	S	28.7	Very low	31.7	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	79%	0.785	S	S	*	*			trans	-131.9	150.3	171.7	-50.2	0	0	0	0	110
378	D	33.8	Very low	31.6	Very low	149 Å²	149	142 Å²	142	80%	0.797	78%	0.78	S	S	*	*			trans	-160.5	141.3	146	-131.8	-33.3	0	0	0	116.1
379	S	35.3	Very low	31.9	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	76%	0.757	S	S	*	*			trans	29.4	137	152.5	-61.4	0	0	0	0	124.8
380	C	28.7	Very low	32	Very low	116 Å²	116	136.8 Å²	136.8	78%	0.784	75%	0.752	S	S	*	*			trans	-98.8	169.3	168.7	-165	0	0	0	0	111.1
381	P	33	Very low	32.1	Very low	112 Å²	112	138.7 Å²	138.7	73%	0.727	75%	0.745	S	S	*	*				-149	158	97.1	39.5	-23.6	0	0	0	116.7
382	H	27.8	Very low	32.2	Very low	180 Å²	180	134.9 Å²	134.9	83%	0.833	73%	0.725	S	S	*	*			trans	17.7	120.8	154.2	-68.4	-76.2	0	0	0	120.7
383	D	32.1	Very low	32.1	Very low	145 Å²	145	135.5 Å²	135.5	78%	0.775	72%	0.716	S	S	*	*			trans	-143	160	145.7	-121.1	-37	0	0	0	111.7	Y385	D383-Y385 PolarHBondContact O-N 2.97Å
384	Q	27.6	Very low	32.1	Very low	182 Å²	182	131.6 Å²	131.6	85%	0.85	71%	0.713	S	S	*	*			trans	-92.4	99.7	-169	-62.4	-178.1	-79.1	0	0	113.1	S386	Q384-S386 PolarHBondContact O-N 3.33Å
385	Y	27.3	Very low	31.7	Very low	211 Å²	211	131.6 Å²	131.6	83%	0.827	71%	0.713	S	S	*	*			trans	-83.6	89.8	173.5	-75.8	-83.9	0	0	0	112.5	D383 I387	D383-Y385 PolarHBondContact O-N 2.97Å; Y385-I387 PolarHBondContact O-N 2.82Å
386	S	26.3	Very low	31.8	Very low	102 Å²	102	126.9 Å²	126.9	71%	0.713	72%	0.715	S	S	*	*			trans	-75.8	100.9	164.4	-59.4	0	0	0	0	109.9	Q384 N388	Q384-S386 PolarHBondContact O-N 3.33Å; S386-N388 PolarHBondContact O-N 2.9Å; S386-N388 VanDerWaalsContact O-N 3.11Å
387	I	33.3	Very low	31.7	Very low	83 Å²	83	126.9 Å²	126.9	43%	0.426	71%	0.71	S	S	.	*			trans	-77.8	95.1	174.8	-53.9	-179.6	0	0	0	108.6	Y385 Y389 L406 I410	Y385-I387 PolarHBondContact O-N 2.82Å; I387-Y389 PolarHBondContact O-N 3.43Å; I387-L406 HydrophobicContact CD1-CD2 4.48Å; I387-I410 HydrophobicContact CD1-CD1 3.85Å
388	N	28.7	Very low	32.2	Very low	132 Å²	132	127.4 Å²	127.4	71%	0.706	72%	0.72	S	S	*	*			trans	-72.8	116.7	166.7	-77.3	-15.1	0	0	0	109.1	S386 D390	S386-N388 PolarHBondContact O-N 2.9Å; S386-N388 VanDerWaalsContact O-N 3.11Å; N388-D390 PolarHBondContact O-N 3.1Å
389	Y	38.2	Very low	32.4	Very low	86 Å²	86	124.9 Å²	124.9	34%	0.337	71%	0.714	S	S	.	*			trans	-72.6	114.3	153.4	-73.3	-78	0	0	0	107.9	I387 R391 L406	I387-Y389 PolarHBondContact O-N 3.43Å; Y389-R391 PolarHBondContact O-N 2.87Å; Y389-L406 WeakPolarHBondContact OH-CD1 3.45Å; Y389-L406 WeakPolarHBondContact OH-CD2 3.4Å
390	D	35.2	Very low	32.7	Very low	139 Å²	139	121.7 Å²	121.7	74%	0.743	69%	0.692	S	S	*	*			trans	-65.5	120.2	-174.9	-96.7	-44.8	0	0	0	111.9	N388 N392	N388-D390 PolarHBondContact O-N 3.1Å; D390-N392 PolarHBondContact O-N 3.15Å
391	R	38.4	Very low	33.4	Very low	148 Å²	148	122.2 Å²	122.2	56%	0.558	68%	0.683	S	S	*	*			trans	-77.7	111	178.9	-66.6	177.3	179.3	-162.9	-8.7	109.8	Y389 S393 D417	Y389-R391 PolarHBondContact O-N 2.87Å; R391-S393 PolarHBondContact O-N 3.04Å; R391-S393 PolarHBondContact O-OG 2.93Å; R391-D417 IonicContact CZ-OD1 2.7Å; R391-D417 IonicContact CZ-OD2 3.16Å; R391-D417 IonicContact NH1-OD1 2.77Å; R391-D417 PolarHBondContact NH1-OD1 3.11Å; R391-D417 IonicContact NH1-OD2 2.67Å; R391-D417 IonicContact NH2-OD1 3.55Å; R391-D417 PolarHBondContact NH2-OD1 2.74Å; R391-D417 IonicContact NH2-OD2 2.77Å
392	N	36.4	Very low	33.6	Very low	89 Å²	89	124.2 Å²	124.2	48%	0.476	69%	0.688	S	S	.	*	S	Bend	trans	41.3	57.6	166.7	-66.5	4.2	0	0	0	114.6	D390 S503	D390-N392 PolarHBondContact O-N 3.15Å; N392-S503 PolarHBondContact ND2-OG 3.47Å
393	S	32.8	Very low	34.4	Very low	93 Å²	93	120.9 Å²	120.9	65%	0.65	68%	0.675	S	S	*	*			trans	-135.5	101.5	172.5	-69.3	0	0	0	0	110.2	R391 Q395	R391-S393 PolarHBondContact O-N 3.04Å; R391-S393 PolarHBondContact O-OG 2.93Å; S393-Q395 PolarHBondContact O-N 3.34Å
394	G	30.2	Very low	34.9	Very low	74 Å²	74	121 Å²	121	76%	0.763	68%	0.676	S	S	*	*			trans	-75.2	86.1	-171	0	0	0	0	0	114.3
395	Q	29.4	Very low	36.2	Very low	192 Å²	192	118.1 Å²	118.1	90%	0.897	67%	0.673	S	S	*	*			trans	-156.6	69.3	164.9	-118.2	166	25.2	0	0	111.4	S393	S393-Q395 PolarHBondContact O-N 3.34Å
396	G	31.3	Very low	37.6	Very low	79 Å²	79	110 Å²	110	81%	0.814	64%	0.644	S	S	*	*			trans	-94.2	122	173.3	0	0	0	0	0	112.1
397	D	32.2	Very low	39	Very low	142 Å²	142	108.5 Å²	108.5	76%	0.759	63%	0.632	S	S	*	*			trans	-66.8	143	176.3	-77.2	-40.6	0	0	0	112.1	S399	D397-S399 PolarHBondContact O-N 2.82Å
398	A	38.6	Very low	40.2	Very low	108 Å²	108	111.3 Å²	111.3	89%	0.893	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	25.5	-171.9	0	0	0	0	0	115.3
399	S	37.4	Very low	42	Very low	96 Å²	96	108.9 Å²	108.9	67%	0.671	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	6.1	-175.8	53.9	0	0	0	0	114.4	D397 E401	D397-S399 PolarHBondContact O-N 2.82Å; S399-E401 PolarHBondContact O-N 3Å
400	S	41.9	Very low	43.9	Very low	47 Å²	47	107.9 Å²	107.9	33%	0.329	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-64.8	2.9	-171.5	-169.6	0	0	0	0	116.8	N402 L403	S400-N402 PolarHBondContact O-N 3.25Å; S400-L403 WeakPolarHBondContact OG-CD1 3.42Å
401	E	43.6	Very low	46.6	Very low	127 Å²	127	105.2 Å²	105.2	59%	0.593	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-79.1	8.1	-179.9	-62.4	-171	-174.2	0	0	113.5	S399 K490	S399-E401 PolarHBondContact O-N 3Å; E401-K490 WeakPolarHBondContact OE1-CE 3.49Å; E401-K490 IonicContact OE1-NZ 3.14Å; E401-K490 PolarHBondContact OE1-NZ 3.23Å
402	N	38	Very low	49.3	Very low	154 Å²	154	98.3 Å²	98.3	82%	0.824	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-134.6	60.8	167.8	-84.3	-99.4	0	0	0	110.8	S400	S400-N402 PolarHBondContact O-N 3.25Å
403	L	43.2	Very low	52.2	Low	109 Å²	109	94.2 Å²	94.2	57%	0.571	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-89.1	119.7	160.6	-70.7	178.4	0	0	0	108.8	S400	S400-L403 WeakPolarHBondContact OG-CD1 3.42Å
404	D	43.5	Very low	55	Low	149 Å²	149	91.6 Å²	91.6	80%	0.797	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.6	143.4	176	-77.4	-57	0	0	0	111.3	L406	D404-L406 PolarHBondContact O-N 3.42Å
405	P	54.4	Low	58	Low	121 Å²	121	96.2 Å²	96.2	79%	0.786	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-53.7	123.8	173.9	-26	34.7	0	0	0	111.5
406	L	57.2	Low	61.1	Low	40 Å²	40	90.2 Å²	90.2	21%	0.209	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-50.9	133.7	-174.2	-66	161	0	0	0	111.8	I387 Y389 D404 L412	I387-L406 HydrophobicContact CD1-CD2 4.48Å; Y389-L406 WeakPolarHBondContact OH-CD1 3.45Å; Y389-L406 WeakPolarHBondContact OH-CD2 3.4Å; D404-L406 PolarHBondContact O-N 3.42Å; L406-L412 HydrophobicContact CD1-CD2 3.44Å; L406-L412 VanDerWaalsContact CD1-CD2 3.44Å
407	P	55.8	Low	64	Low	71 Å²	71	88 Å²	88	46%	0.461	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-48.9	132.8	177.9	-30.4	34.3	0	0	0	112.9	G409 I410	P407-G409 PolarHBondContact O-N 3.16Å; P407-I410 HydrophobicContact CB-CD1 3.93Å; P407-I410 HydrophobicContact CB-CG1 4.31Å; P407-I410 HydrophobicContact CG-CD1 3.96Å; P407-I410 PolarHBondContact O-N 2.95Å
408	P	57.5	Low	67	Low	141 Å²	141	86.8 Å²	86.8	92%	0.916	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	123.8	178.4	-27.5	35.2	0	0	0	112
409	G	66.4	Low	69.6	Low	82 Å²	82	85 Å²	85	85%	0.845	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	9	-178.7	0	0	0	0	0	115.9	P407	P407-G409 PolarHBondContact O-N 3.16Å
410	I	79.4	Confident	72.3	Confident	65 Å²	65	80.5 Å²	80.5	33%	0.333	48%	0.481	S	S	.	.			trans	-93.8	126.6	165.4	-59.4	-176.4	0	0	0	109.8	I387 P407	I387-I410 HydrophobicContact CD1-CD1 3.85Å; P407-I410 HydrophobicContact CB-CD1 3.93Å; P407-I410 HydrophobicContact CB-CG1 4.31Å; P407-I410 HydrophobicContact CG-CD1 3.96Å; P407-I410 PolarHBondContact O-N 2.95Å
411	D	91.4	Very high	74.8	Confident	83 Å²	83	82.2 Å²	82.2	44%	0.444	49%	0.489	S	S	.	.			trans	-75.1	130.2	176.4	-72	-38	0	0	0	112.1	L413 G414 G529	D411-L413 PolarHBondContact O-N 3.04Å; D411-G414 PolarHBondContact O-N 3.3Å; D411-G529 WeakPolarHBondContact OD1-CA 3.35Å; D411-G529 PolarHBondContact OD1-N 3.3Å
412	L	95.4	Very high	77.2	Confident	3 Å²	3	83.9 Å²	83.9	2%	0.016	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.5	-175.5	-70.7	169.7	0	0	0	114.9	L406 L509 A513 R527 L528	L406-L412 HydrophobicContact CD1-CD2 3.44Å; L406-L412 VanDerWaalsContact CD1-CD2 3.44Å; L412-L509 HydrophobicContact CB-CD1 4.2Å; L412-L509 HydrophobicContact CB-CD2 4.27Å; L412-L509 HydrophobicContact CD1-CD1 4.27Å; L412-A513 HydrophobicContact CD1-CB 4.31Å; L412-A513 HydrophobicContact CD2-CB 3.98Å; L412-R527 WeakPolarHBondContact CB-O 3.41Å; L412-R527 HydrophobicContact CD1-CB 3.61Å; L412-R527 HydrophobicContact CG-CB 4.1Å; L412-R527 WeakPolarHBondContact CG-O 3.41Å; L412-R527 PolarHBondContact N-O 3.12Å; L412-L528 HydrophobicContact CB-CD2 4.21Å; L412-L528 HydrophobicContact CD1-CD2 4.04Å
413	L	95.9	Very high	80.1	Confident	3 Å²	3	79.1 Å²	79.1	2%	0.016	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-0.1	-174.9	-53.1	-177	0	0	0	114.1	D411 V482 H507 L509 L528 R530	D411-L413 PolarHBondContact O-N 3.04Å; L413-V482 HydrophobicContact CD1-CG2 3.83Å; L413-V482 HydrophobicContact CD2-CG1 4.04Å; L413-V482 HydrophobicContact CD2-CG2 4.08Å; L413-H507 HydrophobicContact CD2-CB 3.68Å; L413-H507 PolarHBondContact O-CE1 3.24Å; L413-L509 HydrophobicContact CD2-CD1 3.85Å; L413-L509 HydrophobicContact CD2-CD2 4.46Å; L413-L509 HydrophobicContact CD2-CG 4.24Å; L413-L528 WeakPolarHBondContact CB-O 3.45Å; L413-L528 HydrophobicContact CD1-CB 3.96Å; L413-L528 HydrophobicContact CD1-CD2 4.19Å; L413-L528 WeakPolarHBondContact CD1-O 3.24Å; L413-L528 HydrophobicContact CD2-CD2 4.14Å; L413-L528 HydrophobicContact CG-CB 4.22Å; L413-L528 HydrophobicContact CG-CD2 4.03Å; L413-L528 VanDerWaalsContact CG-O 3.25Å; L413-L528 WeakPolarHBondContact CG-O 3.3Å; L413-R530 HydrophobicContact CD1-CG 3.98Å; L413-R530 PolarHBondContact O-NH2 2.75Å
414	G	93	Very high	82.7	Confident	38 Å²	38	74.6 Å²	74.6	39%	0.392	45%	0.45	S	S	.	.			trans	52.3	-151.9	-176.8	0	0	0	0	0	114.9	D411 R530	D411-G414 PolarHBondContact O-N 3.3Å; G414-R530 PolarHBondContact O-NH1 2.77Å
415	E	93.3	Very high	85.3	Confident	171 Å²	171	67.6 Å²	67.6	80%	0.799	41%	0.413	S	S	*	.	S	Bend	trans	-65.8	142.7	178.3	-64	-168.3	160	0	0	112.9
416	V	94.1	Very high	87.4	Confident	66 Å²	66	61.9 Å²	61.9	40%	0.4	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71	129.8	179.8	-172.7	0	0	0	0	110.9	C420	V416-C420 HydrophobicContact CG1-CB 4Å
417	D	92.4	Very high	89.4	Confident	33 Å²	33	60 Å²	60	18%	0.176	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-66.3	147.3	176.8	-95.7	-20.8	0	0	0	113.3	R391 D419 C420 V421	R391-D417 IonicContact CZ-OD1 2.7Å; R391-D417 IonicContact CZ-OD2 3.16Å; R391-D417 IonicContact NH1-OD1 2.77Å; R391-D417 PolarHBondContact NH1-OD1 3.11Å; R391-D417 IonicContact NH1-OD2 2.67Å; R391-D417 IonicContact NH2-OD1 3.55Å; R391-D417 PolarHBondContact NH2-OD1 2.74Å; R391-D417 IonicContact NH2-OD2 2.77Å; D417-D419 PolarHBondContact O-N 2.82Å; D417-D419 VanDerWaalsContact O-N 3.09Å; D417-C420 HydrophobicContact CB-CB 4.43Å; D417-C420 WeakPolarHBondContact O-CA 3.39Å; D417-C420 WeakPolarHBondContact O-CB 3.27Å; D417-C420 PolarHBondContact O-N 2.97Å; D417-V421 PolarHBondContact O-N 3.21Å
418	S	94	Very high	91.5	Very high	116 Å²	116	56.6 Å²	56.6	81%	0.811	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.8	-172.4	67.2	0	0	0	0	115
419	D	93.4	Very high	93.4	Very high	70 Å²	70	50 Å²	50	37%	0.374	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.8	174.3	84.1	-51.7	0	0	0	113.2	D417 K423 R506	D417-D419 PolarHBondContact O-N 2.82Å; D417-D419 VanDerWaalsContact O-N 3.09Å; D419-K423 WeakPolarHBondContact O-CE 3.31Å; D419-K423 PolarHBondContact O-NZ 3.22Å; D419-K423 IonicContact OD2-NZ 3.52Å; D419-R506 IonicContact OD1-CZ 3.99Å; D419-R506 IonicContact OD1-NE 3.58Å; D419-R506 PolarHBondContact OD1-NE 2.95Å; D419-R506 VanDerWaalsContact OD1-NE 3.14Å; D419-R506 IonicContact OD1-NH2 2.78Å; D419-R506 IonicContact OD2-CZ 3.69Å; D419-R506 IonicContact OD2-NE 3.68Å; D419-R506 PolarHBondContact OD2-NE 2.83Å; D419-R506 IonicContact OD2-NH2 2.72Å; D419-R506 PolarHBondContact OD2-NH2 3.19Å
420	C	95.3	Very high	94.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.9	-178.9	-66.2	0	0	0	0	113.2	V416 D417 N422 K423 E480	V416-C420 HydrophobicContact CG1-CB 4Å; D417-C420 HydrophobicContact CB-CB 4.43Å; D417-C420 WeakPolarHBondContact O-CA 3.39Å; D417-C420 WeakPolarHBondContact O-CB 3.27Å; D417-C420 PolarHBondContact O-N 2.97Å; C420-N422 PolarHBondContact O-N 3.49Å; C420-K423 WeakPolarHBondContact O-CB 3.42Å; C420-K423 PolarHBondContact O-N 3.41Å; C420-E480 HydrophobicContact CB-CB 4.04Å; C420-E480 HydrophobicContact CB-CG 4.16Å
421	V	93.9	Very high	95.7	Very high	82 Å²	82	43.3 Å²	43.3	50%	0.497	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	126.8	175.9	-169.5	0	0	0	0	110.7	D417 K423	D417-V421 PolarHBondContact O-N 3.21Å; V421-K423 VanDerWaalsContact C-N 3.3Å
422	N	94.1	Very high	96	Very high	162 Å²	162	40.2 Å²	40.2	87%	0.866	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	4.8	-172.6	-37.7	-81.9	0	0	0	116.4	C420	C420-N422 PolarHBondContact O-N 3.49Å
423	K	97.7	Very high	96.1	Very high	54 Å²	54	40.1 Å²	40.1	24%	0.235	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-80.5	161	166.2	-60.7	-172.3	-176.2	159.3	0	110.6	D419 C420 V421 P477 F479	D419-K423 WeakPolarHBondContact O-CE 3.31Å; D419-K423 PolarHBondContact O-NZ 3.22Å; D419-K423 IonicContact OD2-NZ 3.52Å; C420-K423 WeakPolarHBondContact O-CB 3.42Å; C420-K423 PolarHBondContact O-N 3.41Å; V421-K423 VanDerWaalsContact C-N 3.3Å; K423-P477 VanDerWaalsContact CE-O 3.24Å; K423-P477 WeakPolarHBondContact CE-O 3.46Å; K423-P477 PolarHBondContact NZ-O 2.92Å; K423-F479 VanDerWaalsContact CD-O 3.26Å; K423-F479 WeakPolarHBondContact CD-O 3.49Å
424	K	98.3	Very high	96.2	Very high	14 Å²	14	40 Å²	40	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	152.3	165.1	-75.4	172	-177.6	56.9	0	110	F479 E480 Q534 L577 A578 A580 V583	K424-F479 HydrophobicContact CB-CD1 3.73Å; K424-F479 HydrophobicContact CB-CE1 3.85Å; K424-F479 HydrophobicContact CD-CE1 4.44Å; K424-F479 WeakPolarHBondContact O-CA 3.35Å; K424-E480 PolarHBondContact O-N 3.4Å; K424-Q534 WeakPolarHBondContact CA-O 3.4Å; K424-Q534 WeakPolarHBondContact CB-O 3.49Å; K424-Q534 VanDerWaalsContact CE-OE1 3.24Å; K424-Q534 HydrophobicContact CG-CB 4.23Å; K424-L577 WeakPolarHBondContact CD-O 3.47Å; K424-L577 WeakPolarHBondContact CE-O 3.47Å; K424-A578 PolarHBondContact NZ-O 3.09Å; K424-A580 WeakPolarHBondContact CE-O 3.48Å; K424-A580 PolarHBondContact NZ-O 2.73Å; K424-V583 HydrophobicContact CD-CG2 4.07Å
425	C	98.6	Very high	96.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.2	169.8	-178.4	0	0	0	0	109	E480 R530 Q534 I535 C536	C425-E480 WeakPolarHBondContact CA-O 3.1Å; C425-R530 HydrophobicContact CB-CB 4.5Å; C425-R530 HydrophobicContact CB-CG 4.27Å; C425-Q534 PolarHBondContact N-O 2.96Å; C425-I535 HydrophobicContact CB-CB 4.46Å; C425-I535 HydrophobicContact CB-CG1 4.1Å; C425-I535 HydrophobicContact CB-CG2 4.31Å; C425-I535 WeakPolarHBondContact O-CA 3.42Å; C425-C536 PolarHBondContact O-N 2.94Å
426	L	98.8	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	103.6	175.5	-176.5	62.4	0	0	0	108.9	L428 I475 F479 E480 C481 V482 C536 V538 L574	L426-L428 HydrophobicContact CD1-CD2 4.26Å; L426-L428 HydrophobicContact CD2-CD2 4.12Å; L426-L428 HydrophobicContact CG-CD2 3.84Å; L426-L428 HydrophobicContact CG-CG 4.27Å; L426-I475 HydrophobicContact CD2-CB 4.38Å; L426-I475 HydrophobicContact CD2-CD1 3.6Å; L426-F479 HydrophobicContact CB-CB 3.66Å; L426-F479 HydrophobicContact CB-CD1 3.64Å; L426-F479 HydrophobicContact CB-CD2 4.39Å; L426-F479 HydrophobicContact CB-CE1 4.34Å; L426-F479 HydrophobicContact CB-CG 3.66Å; L426-F479 HydrophobicContact CD2-CB 4.3Å; L426-F479 HydrophobicContact CD2-CD1 4.31Å; L426-F479 HydrophobicContact CD2-CD2 3.72Å; L426-F479 HydrophobicContact CD2-CE2 4.04Å; L426-F479 HydrophobicContact CD2-CG 3.87Å; L426-F479 HydrophobicContact CD2-CZ 4.44Å; L426-F479 HydrophobicContact CG-CD1 4.46Å; L426-F479 HydrophobicContact CG-CG 4.38Å; L426-E480 PolarHBondContact N-O 3Å; L426-C481 WeakPolarHBondContact O-CA 3.33Å; L426-V482 PolarHBondContact O-N 3.32Å; L426-C536 HydrophobicContact CD1-CB 3.98Å; L426-V538 HydrophobicContact CD1-CG2 3.91Å; L426-L574 HydrophobicContact CD1-CD2 4.27Å; L426-L574 HydrophobicContact CD2-CD1 4.27Å
427	V	98.8	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.2	175.2	-176.3	0	0	0	0	108.2	V482 F484 L525 L528 I535 C536 I537 V538	V427-V482 WeakPolarHBondContact CA-O 3.27Å; V427-V482 HydrophobicContact CG2-CB 4.43Å; V427-F484 HydrophobicContact CG1-CB 3.48Å; V427-F484 VanDerWaalsContact CG1-CB 3.48Å; V427-F484 HydrophobicContact CG1-CD1 4.05Å; V427-F484 HydrophobicContact CG1-CG 4.27Å; V427-L525 HydrophobicContact CG2-CD2 4.12Å; V427-L528 HydrophobicContact CG2-CD1 3.71Å; V427-I535 HydrophobicContact CG2-CG2 3.88Å; V427-C536 PolarHBondContact N-O 2.81Å; V427-I537 HydrophobicContact CB-CB 4.09Å; V427-I537 HydrophobicContact CB-CD1 4.41Å; V427-I537 HydrophobicContact CB-CG1 4.02Å; V427-I537 HydrophobicContact CG1-CD1 3.89Å; V427-I537 HydrophobicContact CG1-CG1 3.94Å; V427-I537 CarbonylContact O-C 3.58Å; V427-I537 WeakPolarHBondContact O-CA 3.45Å; V427-V538 PolarHBondContact O-N 3.19Å
428	L	98.8	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.4	177.7	-57.4	177.3	0	0	0	109.1	L426 L434 F471 L472 I475 V482 M483 F484 F505 V538	L426-L428 HydrophobicContact CD1-CD2 4.26Å; L426-L428 HydrophobicContact CD2-CD2 4.12Å; L426-L428 HydrophobicContact CG-CD2 3.84Å; L426-L428 HydrophobicContact CG-CG 4.27Å; L428-L434 HydrophobicContact CB-CD1 4.33Å; L428-F471 HydrophobicContact CD1-CE1 3.95Å; L428-F471 HydrophobicContact CD2-CE1 4.32Å; L428-F471 HydrophobicContact CD2-CZ 4.26Å; L428-L472 HydrophobicContact CD1-CD2 4.21Å; L428-I475 HydrophobicContact CD1-CD1 3.8Å; L428-V482 PolarHBondContact N-O 2.79Å; L428-M483 WeakPolarHBondContact O-CA 3.21Å; L428-F484 PolarHBondContact O-N 3.16Å; L428-F505 HydrophobicContact CB-CE1 4.21Å; L428-F505 HydrophobicContact CD1-CE1 3.84Å; L428-F505 HydrophobicContact CD1-CZ 4.07Å; L428-F505 HydrophobicContact CG-CE1 4.42Å; L428-V538 HydrophobicContact CD2-CB 3.74Å; L428-V538 HydrophobicContact CD2-CG2 3.84Å
429	D	98.6	Very high	96.1	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.124	C	C	.	.			trans	-70.8	165	164.7	-159.4	8.8	0	0	0	111.4	T433 L434 T485 K523 V538 D539	D429-T433 HydrophobicContact CB-CG2 4.17Å; D429-T433 WeakPolarHBondContact O-CG2 3.5Å; D429-L434 WeakPolarHBondContact O-CD1 3.36Å; D429-L434 VanDerWaalsContact O-CG 3.29Å; D429-L434 WeakPolarHBondContact O-CG 3.49Å; D429-T485 WeakPolarHBondContact OD1-CA 3.35Å; D429-K523 IonicContact OD1-NZ 3.26Å; D429-K523 PolarHBondContact OD1-NZ 3.4Å; D429-K523 IonicContact OD2-NZ 3.7Å; D429-K523 PolarHBondContact OD2-NZ 3.48Å; D429-V538 PolarHBondContact N-O 3.46Å; D429-D539 HydrophobicContact CB-CB 4.18Å
430	L	98.2	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.			trans	-101.9	-65.3	-178.7	-179	61.9	0	0	0	111.9	L434 V435 M483 T485 Y491 A492 V495 I499	L430-L434 PolarHBondContact O-N 3.28Å; L430-V435 HydrophobicContact CD1-CG1 4.48Å; L430-V435 HydrophobicContact CD1-CG2 3.79Å; L430-V435 HydrophobicContact CG-CG2 3.83Å; L430-V435 PolarHBondContact O-N 2.9Å; L430-M483 HydrophobicContact CB-CG 4.47Å; L430-M483 HydrophobicContact CB-SD 4.31Å; L430-M483 HydrophobicContact CD1-SD 4.01Å; L430-M483 HydrophobicContact CD2-SD 4.02Å; L430-M483 HydrophobicContact CG-SD 4.35Å; L430-T485 HydrophobicContact CB-CG2 4.39Å; L430-T485 HydrophobicContact CD2-CG2 4.35Å; L430-Y491 HydrophobicContact CD2-CE1 4.33Å; L430-A492 HydrophobicContact CD2-CB 3.6Å; L430-V495 HydrophobicContact CD1-CG1 3.81Å; L430-V495 HydrophobicContact CD2-CB 4.28Å; L430-V495 HydrophobicContact CD2-CG1 3.99Å; L430-V495 HydrophobicContact CG-CG1 4.28Å; L430-I499 HydrophobicContact CD1-CD1 3.78Å
431	D	96.3	Very high	95.7	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-79.4	140.7	-170.5	-55.1	-69.6	0	0	0	110.2	V62 T433 T485 S487 Y491 N540	V62-D431 WeakPolarHBondContact O-CB 3.42Å; D431-T433 PolarHBondContact O-N 2.77Å; D431-T485 PolarHBondContact OD2-OG1 3.04Å; D431-S487 WeakPolarHBondContact OD2-CB 3.37Å; D431-S487 PolarHBondContact OD2-OG 2.77Å; D431-Y491 VanDerWaalsContact OD1-CE1 3.23Å; D431-Y491 WeakPolarHBondContact OD1-CE1 3.49Å; D431-Y491 VanDerWaalsContact OD1-CZ 3.28Å; D431-Y491 PolarHBondContact OD1-OH 2.94Å; D431-N540 PolarHBondContact O-OD1 2.7Å
432	E	96.3	Very high	95.5	Very high	19 Å²	19	33.2 Å²	33.2	9%	0.089	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-9.8	-166.6	-79	65.9	-100.9	0	0	116.9	L63 V435 H436 R465 N540 W558 F559	L63-E432 WeakPolarHBondContact CD2-OE2 3.34Å; E432-V435 WeakPolarHBondContact CA-O 3.45Å; E432-V435 PolarHBondContact N-O 3.18Å; E432-H436 IonicContact OE1-CE1 2.94Å; E432-H436 IonicContact OE1-CG 2.72Å; E432-H436 IonicContact OE1-ND1 3.67Å; E432-H436 PolarHBondContact OE1-ND1 2.97Å; E432-R465 PolarHBondContact O-NH1 3.04Å; E432-N540 WeakPolarHBondContact CB-ND2 3.24Å; E432-W558 PolarHBondContact O-N 2.8Å; E432-F559 HydrophobicContact CG-CD1 3.86Å; E432-F559 HydrophobicContact CG-CE1 3.29Å; E432-F559 HydrophobicContact CG-CZ 3.69Å
433	T	98	Very high	95.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-52.2	-179.9	-75	0	0	0	0	112.2	D429 D431 R465 N540 I555	D429-T433 HydrophobicContact CB-CG2 4.17Å; D429-T433 WeakPolarHBondContact O-CG2 3.5Å; D431-T433 PolarHBondContact O-N 2.77Å; T433-R465 WeakPolarHBondContact O-CD 3.3Å; T433-R465 PolarHBondContact O-NH1 3.36Å; T433-N540 PolarHBondContact OG1-N 3.42Å; T433-N540 PolarHBondContact OG1-OD1 3.17Å; T433-I555 HydrophobicContact CG2-CG2 3.94Å; T433-I555 WeakPolarHBondContact OG1-CG2 3.07Å
434	L	98.4	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-34	179.3	-58.6	179	0	0	0	112.9	L428 D429 L430 R465 L468 F471 I499 F505 L567	L428-L434 HydrophobicContact CB-CD1 4.33Å; D429-L434 WeakPolarHBondContact O-CD1 3.36Å; D429-L434 VanDerWaalsContact O-CG 3.29Å; D429-L434 WeakPolarHBondContact O-CG 3.49Å; L430-L434 PolarHBondContact O-N 3.28Å; L434-R465 WeakPolarHBondContact O-CB 3.36Å; L434-R465 PolarHBondContact O-N 3.4Å; L434-L468 HydrophobicContact CB-CD1 3.81Å; L434-L468 HydrophobicContact CB-CD2 4.46Å; L434-L468 HydrophobicContact CD1-CD1 4.37Å; L434-L468 HydrophobicContact CD2-CD1 3.68Å; L434-L468 HydrophobicContact CG-CD1 4.13Å; L434-F471 HydrophobicContact CD2-CD1 4.28Å; L434-F471 HydrophobicContact CD2-CE1 4Å; L434-I499 HydrophobicContact CD1-CD1 4.39Å; L434-F505 HydrophobicContact CD1-CZ 3.82Å; L434-L567 HydrophobicContact CD2-CD1 4.26Å; L434-L567 HydrophobicContact CD2-CD2 4.09Å
435	V	97.8	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	170.5	178.8	-61.8	0	0	0	0	110.4	L430 E432 V462 R463 L468 V495 I499	L430-V435 HydrophobicContact CD1-CG1 4.48Å; L430-V435 HydrophobicContact CD1-CG2 3.79Å; L430-V435 HydrophobicContact CG-CG2 3.83Å; L430-V435 PolarHBondContact O-N 2.9Å; E432-V435 WeakPolarHBondContact CA-O 3.45Å; E432-V435 PolarHBondContact N-O 3.18Å; V435-V462 HydrophobicContact CB-CG1 3.89Å; V435-V462 HydrophobicContact CG1-CG1 4.13Å; V435-V462 HydrophobicContact CG2-CG1 4.34Å; V435-R463 CarbonylContact C-O 3.44Å; V435-R463 VanDerWaalsContact CA-O 3.26Å; V435-R463 WeakPolarHBondContact CA-O 3.36Å; V435-R463 WeakPolarHBondContact CB-O 3.29Å; V435-L468 HydrophobicContact CG1-CD2 4.32Å; V435-V495 HydrophobicContact CG1-CG1 4.25Å; V435-V495 HydrophobicContact CG2-CG1 4.1Å; V435-I499 HydrophobicContact CG1-CD1 4.38Å; V435-I499 HydrophobicContact CG1-CG2 3.91Å
436	H	95.5	Very high	94.5	Very high	28 Å²	28	39.6 Å²	39.6	13%	0.13	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.3	166.3	170.9	65.7	0	0	0	109.4	E432 R463 W558 F559	E432-H436 IonicContact OE1-CE1 2.94Å; E432-H436 IonicContact OE1-CG 2.72Å; E432-H436 IonicContact OE1-ND1 3.67Å; E432-H436 PolarHBondContact OE1-ND1 2.97Å; H436-R463 PolarHBondContact CD2-NH2 2.73Å; H436-R463 PolarHBondContact N-O 3.07Å; H436-R463 PolarHBondContact O-N 3.45Å; H436-W558 HydrophobicContact CB-CE3 3.68Å; H436-W558 HydrophobicContact CB-CZ3 3.63Å; H436-W558 WeakPolarHBondContact CB-O 3.46Å; H436-F559 AromaticContact CE1-CD1 3.86Å; H436-F559 AromaticContact ND1-CD1 3.82Å
437	S	93.4	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.7	-161.3	-70.6	0	0	0	0	112.5	Y461 V462 Y491	S437-Y461 WeakPolarHBondContact CA-O 3.47Å; S437-V462 WeakPolarHBondContact OG-CG1 3.31Å; S437-V462 WeakPolarHBondContact OG-CG2 3.29Å; S437-Y491 VanDerWaalsContact CB-OH 3.28Å; S437-Y491 WeakPolarHBondContact CB-OH 3.37Å; S437-Y491 PolarHBondContact OG-OH 3.2Å
438	S	89.6	Confident	94.2	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.9	-172.7	166.6	0	0	0	0	111.8	K440 Y461	S438-K440 VanDerWaalsContact C-N 3.33Å; S438-K440 WeakPolarHBondContact OG-CA 3.21Å; S438-K440 WeakPolarHBondContact OG-CB 3.36Å; S438-K440 PolarHBondContact OG-N 3.5Å; S438-K440 PolarHBondContact OG-O 3.3Å; S438-Y461 PolarHBondContact N-O 2.96Å; S438-Y461 WeakPolarHBondContact O-CD2 3.47Å; S438-Y461 PolarHBondContact O-N 3.11Å
439	F	88.6	Confident	93.9	Very high	27 Å²	27	42.5 Å²	42.5	12%	0.118	21%	0.207	C	C	.	.	S	Bend	trans	-79.3	-18.6	168.8	-73.7	-101.6	0	0	0	112.6	I53 Y58 L61 V62 I453 Q458 V460	I53-F439 HydrophobicContact CD1-CD1 4.44Å; I53-F439 HydrophobicContact CD1-CE1 4.05Å; I53-F439 HydrophobicContact CD1-CZ 4.18Å; Y58-F439 AromaticContact CD2-CD2 3.32Å; Y58-F439 HydrophobicContact CD2-CD2 3.32Å; Y58-F439 AromaticContact CD2-CE2 3.44Å; Y58-F439 HydrophobicContact CD2-CE2 3.44Å; Y58-F439 VanDerWaalsContact CD2-CE2 3.44Å; Y58-F439 HydrophobicContact CD2-CG 4.41Å; Y58-F439 AromaticContact CE2-CD2 3.48Å; Y58-F439 HydrophobicContact CE2-CD2 3.48Å; Y58-F439 VanDerWaalsContact CE2-CD2 3.48Å; Y58-F439 AromaticContact CE2-CE2 3.78Å; Y58-F439 HydrophobicContact CE2-CE2 3.78Å; Y58-F439 HydrophobicContact CG-CD2 4.5Å; L61-F439 HydrophobicContact CB-CZ 4.38Å; L61-F439 HydrophobicContact CD1-CE1 4.49Å; L61-F439 HydrophobicContact CD1-CZ 3.84Å; V62-F439 HydrophobicContact CB-CE2 4.5Å; V62-F439 HydrophobicContact CG2-CE2 3.68Å; V62-F439 HydrophobicContact CG2-CZ 4.27Å; F439-I453 HydrophobicContact CE1-CD1 3.46Å; F439-I453 VanDerWaalsContact CE1-CD1 3.46Å; F439-I453 HydrophobicContact CZ-CD1 3.92Å; F439-Q458 HydrophobicContact CD1-CB 3.88Å; F439-Q458 VanDerWaalsContact CD1-OE1 3.26Å; F439-Q458 HydrophobicContact CE1-CB 3.85Å; F439-V460 HydrophobicContact CD1-CG2 4.13Å; F439-V460 HydrophobicContact CD2-CG2 4.36Å; F439-V460 HydrophobicContact CE1-CG2 3.58Å; F439-V460 HydrophobicContact CE2-CG2 3.85Å; F439-V460 HydrophobicContact CG-CG2 4.49Å; F439-V460 HydrophobicContact CZ-CG2 3.43Å; F439-V460 VanDerWaalsContact CZ-CG2 3.43Å
440	K	89.7	Confident	93.7	Very high	173 Å²	173	46.2 Å²	46.2	75%	0.752	23%	0.231	S	C	*	.	S	Bend	trans	-78	138	169.5	-61.3	174.4	-177.3	172.4	0	108.7	S438 V442 Y461	S438-K440 VanDerWaalsContact C-N 3.33Å; S438-K440 WeakPolarHBondContact OG-CA 3.21Å; S438-K440 WeakPolarHBondContact OG-CB 3.36Å; S438-K440 PolarHBondContact OG-N 3.5Å; S438-K440 PolarHBondContact OG-O 3.3Å; K440-V442 PolarHBondContact O-N 3.12Å; K440-Y461 WeakPolarHBondContact O-CD2 3.32Å
441	Y	90.8	Very high	93.3	Very high	158 Å²	158	46.3 Å²	46.3	62%	0.62	23%	0.232	S	C	*	.			trans	-51.9	131	177.9	176.8	-97.2	0	0	0	112.3	E443 Y461	Y441-E443 HydrophobicContact CE1-CB 4Å; Y441-Y461 HydrophobicContact CD2-CD1 4.2Å; Y441-Y461 AromaticContact CD2-CE1 3.48Å; Y441-Y461 HydrophobicContact CD2-CE1 3.48Å; Y441-Y461 VanDerWaalsContact CD2-CE1 3.48Å; Y441-Y461 AromaticContact CD2-CZ 3.68Å; Y441-Y461 AromaticContact CE2-CE1 3.99Å; Y441-Y461 HydrophobicContact CE2-CE1 3.99Å; Y441-Y461 HydrophobicContact CG-CE1 4.43Å
442	V	89.2	Confident	92.9	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	26%	0.256	C	S	.	.			trans	-121.2	120.2	172.6	-178.3	0	0	0	0	108.1	K440 N444 A445 R463	K440-V442 PolarHBondContact O-N 3.12Å; V442-N444 PolarHBondContact O-N 2.99Å; V442-A445 HydrophobicContact CB-CB 4.35Å; V442-A445 PolarHBondContact O-N 2.85Å; V442-R463 HydrophobicContact CG1-CG 4.4Å
443	E	87.7	Confident	92.3	Very high	147 Å²	147	50.9 Å²	50.9	69%	0.687	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-43.2	-175.6	-176.7	175.5	-150.6	0	0	112.6	Y441	Y441-E443 HydrophobicContact CE1-CB 4Å
444	N	88.7	Confident	91.7	Very high	128 Å²	128	56.8 Å²	56.8	68%	0.684	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	53.5	179.1	-59.3	-64.8	0	0	0	110.8	V442 R463	V442-N444 PolarHBondContact O-N 2.99Å; N444-R463 WeakPolarHBondContact O-CD 3.33Å; N444-R463 WeakPolarHBondContact O-CG 3.43Å
445	A	94.1	Very high	91.2	Very high	16 Å²	16	59.7 Å²	59.7	13%	0.132	31%	0.314	C	S	.	.			trans	-78.7	136.4	165.9	0	0	0	0	0	110	V442 F447 Y461	V442-A445 HydrophobicContact CB-CB 4.35Å; V442-A445 PolarHBondContact O-N 2.85Å; A445-F447 VanDerWaalsContact C-N 3.29Å; A445-Y461 HydrophobicContact CB-CD1 4.26Å
446	D	96.3	Very high	90.7	Very high	75 Å²	75	63.2 Å²	63.2	40%	0.401	34%	0.336	S	S	.	.	S	Bend	trans	-65.8	-37.1	173.3	-68.8	-95.2	0	0	0	110.8	V462 R463 K464 Y498	D446-V462 PolarHBondContact N-O 2.97Å; D446-R463 VanDerWaalsContact OD2-CA 3.29Å; D446-R463 WeakPolarHBondContact OD2-CA 3.42Å; D446-K464 HydrophobicContact CB-CD 4.1Å; D446-K464 HydrophobicContact CB-CG 3.97Å; D446-K464 PolarHBondContact OD2-N 3.26Å; D446-Y498 PolarHBondContact O-OH 3.03Å
447	F	96.2	Very high	90.5	Very high	10 Å²	10	65.8 Å²	65.8	4%	0.044	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	170.9	178.1	58.8	-78.3	0	0	0	112.5	A445 V449 V462 K464 V495 Y498 I499	A445-F447 VanDerWaalsContact C-N 3.29Å; F447-V449 HydrophobicContact CD2-CG2 3.81Å; F447-V449 HydrophobicContact CE2-CG2 3.79Å; F447-V462 HydrophobicContact CD1-CB 4.21Å; F447-V462 HydrophobicContact CD1-CG1 4.44Å; F447-V462 HydrophobicContact CD2-CB 3.97Å; F447-V462 HydrophobicContact CD2-CG2 4.1Å; F447-V462 HydrophobicContact CE1-CB 3.93Å; F447-V462 HydrophobicContact CE1-CG1 3.69Å; F447-V462 HydrophobicContact CE2-CB 3.68Å; F447-V462 HydrophobicContact CE2-CG1 3.82Å; F447-V462 HydrophobicContact CE2-CG2 3.78Å; F447-V462 HydrophobicContact CG-CB 4.24Å; F447-V462 HydrophobicContact CZ-CB 3.68Å; F447-V462 HydrophobicContact CZ-CG1 3.35Å; F447-V462 HydrophobicContact CZ-CG2 4.21Å; F447-V462 PolarHBondContact N-O 2.98Å; F447-V462 PolarHBondContact O-N 2.8Å; F447-K464 HydrophobicContact CE1-CD 4.45Å; F447-K464 HydrophobicContact CE1-CG 3.99Å; F447-V495 HydrophobicContact CE2-CB 4.42Å; F447-V495 HydrophobicContact CE2-CG1 4.36Å; F447-V495 HydrophobicContact CE2-CG2 4.15Å; F447-V495 HydrophobicContact CZ-CG1 4.06Å; F447-Y498 HydrophobicContact CB-CD1 4.3Å; F447-Y498 HydrophobicContact CB-CD2 3.71Å; F447-Y498 HydrophobicContact CB-CE1 4.09Å; F447-Y498 HydrophobicContact CB-CE2 3.44Å; F447-Y498 VanDerWaalsContact CB-CE2 3.44Å; F447-Y498 HydrophobicContact CB-CG 4.13Å; F447-Y498 AromaticContact CD1-CD1 3.19Å; F447-Y498 HydrophobicContact CD1-CD1 3.19Å; F447-Y498 HydrophobicContact CD1-CD2 4.12Å; F447-Y498 AromaticContact CD1-CE1 3.31Å; F447-Y498 HydrophobicContact CD1-CE1 3.31Å; F447-Y498 HydrophobicContact CD1-CE2 4.19Å; F447-Y498 AromaticContact CD1-CG 3.64Å; F447-Y498 HydrophobicContact CD1-CG 3.64Å; F447-Y498 AromaticContact CD1-CZ 3.81Å; F447-Y498 HydrophobicContact CD2-CD1 4.22Å; F447-Y498 AromaticContact CD2-CD2 3.99Å; F447-Y498 HydrophobicContact CD2-CD2 3.99Å; F447-Y498 AromaticContact CD2-CG 3.79Å; F447-Y498 HydrophobicContact CD2-CG 3.79Å; F447-Y498 AromaticContact CE1-CD1 3.33Å; F447-Y498 HydrophobicContact CE1-CD1 3.33Å; F447-Y498 AromaticContact CE1-CE1 3.84Å; F447-Y498 HydrophobicContact CE1-CE1 3.84Å; F447-Y498 AromaticContact CE1-CG 3.86Å; F447-Y498 HydrophobicContact CE1-CG 3.86Å; F447-Y498 HydrophobicContact CE2-CD1 4.3Å; F447-Y498 AromaticContact CE2-CG 3.98Å; F447-Y498 HydrophobicContact CE2-CG 3.98Å; F447-Y498 AromaticContact CG-CD1 3.68Å; F447-Y498 HydrophobicContact CG-CD1 3.68Å; F447-Y498 AromaticContact CG-CD2 3.7Å; F447-Y498 HydrophobicContact CG-CD2 3.7Å; F447-Y498 AromaticContact CG-CE1 3.87Å; F447-Y498 HydrophobicContact CG-CE1 3.87Å; F447-Y498 AromaticContact CG-CE2 3.87Å; F447-Y498 HydrophobicContact CG-CE2 3.87Å; F447-Y498 AromaticContact CG-CG 3.6Å; F447-Y498 HydrophobicContact CG-CG 3.6Å; F447-Y498 AromaticContact CG-CZ 3.95Å; F447-Y498 AromaticContact CZ-CD1 3.88Å; F447-Y498 HydrophobicContact CZ-CD1 3.88Å; F447-Y498 HydrophobicContact CZ-CG 4Å; F447-I499 HydrophobicContact CE1-CG2 4.05Å; F447-I499 HydrophobicContact CZ-CG2 3.95Å
448	V	95.6	Very high	90.3	Very high	46 Å²	46	66.9 Å²	66.9	28%	0.279	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130	178.7	-171.2	0	0	0	0	108.6	V40 Q459 V460 Y461	V40-V448 HydrophobicContact CG2-CG2 4.33Å; V448-Q459 HydrophobicContact CG1-CB 3.78Å; V448-Q459 HydrophobicContact CG1-CG 4.43Å; V448-Q459 VanDerWaalsContact CG1-OE1 3.31Å; V448-V460 CarbonylContact C-O 3.33Å; V448-V460 VanDerWaalsContact CA-O 3.3Å; V448-V460 WeakPolarHBondContact CA-O 3.41Å; V448-Y461 HydrophobicContact CG1-CD1 4.34Å; V448-Y461 HydrophobicContact CG1-CE1 4.22Å; V448-Y461 HydrophobicContact CG2-CD1 3.69Å; V448-Y461 HydrophobicContact CG2-CE1 3.83Å
449	V	93.6	Very high	90.5	Very high	6 Å²	6	69.5 Å²	69.5	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.3	177.3	-179	0	0	0	0	109.2	F447 V451 V460 V462 P494 V495	F447-V449 HydrophobicContact CD2-CG2 3.81Å; F447-V449 HydrophobicContact CE2-CG2 3.79Å; V449-V451 HydrophobicContact CB-CG2 4.49Å; V449-V451 HydrophobicContact CG1-CG2 3.8Å; V449-V451 PolarHBondContact O-N 2.96Å; V449-V460 HydrophobicContact CB-CB 4.49Å; V449-V460 PolarHBondContact N-O 2.93Å; V449-V460 PolarHBondContact O-N 3.48Å; V449-V462 HydrophobicContact CG2-CG2 4.1Å; V449-P494 HydrophobicContact CG1-CB 3.74Å; V449-P494 HydrophobicContact CG1-CG 4.22Å; V449-P494 HydrophobicContact CG2-CB 4.47Å; V449-V495 HydrophobicContact CG2-CG2 3.87Å
450	P	93.4	Very high	90.7	Very high	81 Å²	81	68.2 Å²	68.2	53%	0.526	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120	170.8	29.7	-31.1	0	0	0	109.8	V457 Q458	P450-V457 HydrophobicContact CB-CG1 3.61Å; P450-Q458 WeakPolarHBondContact CA-O 3.4Å
451	V	89.4	Confident	91	Very high	1 Å²	1	62 Å²	62	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.7	-178.7	-174.4	0	0	0	0	109.9	L61 V449 I453 V457 Q458 V460 K490 Y491	L61-V451 HydrophobicContact CD2-CG1 4.11Å; V449-V451 HydrophobicContact CB-CG2 4.49Å; V449-V451 HydrophobicContact CG1-CG2 3.8Å; V449-V451 PolarHBondContact O-N 2.96Å; V451-I453 HydrophobicContact CB-CD1 4.42Å; V451-I453 HydrophobicContact CG1-CD1 4.3Å; V451-I453 HydrophobicContact CG1-CG1 4.09Å; V451-V457 WeakPolarHBondContact O-CA 3.44Å; V451-Q458 PolarHBondContact N-O 2.93Å; V451-Q458 PolarHBondContact O-N 2.86Å; V451-V460 HydrophobicContact CB-CG2 4.28Å; V451-V460 HydrophobicContact CG2-CG2 3.7Å; V451-K490 HydrophobicContact CG1-CG 4.14Å; V451-Y491 HydrophobicContact CG2-CD2 4.39Å
452	E	88.5	Confident	91.2	Very high	115 Å²	115	54.4 Å²	54.4	54%	0.537	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.7	177.5	-166.3	-176.7	147.1	0	0	112.1	G455 V457	E452-G455 WeakPolarHBondContact OE1-CA 3.24Å; E452-V457 HydrophobicContact CB-CG2 4.45Å; E452-V457 HydrophobicContact CG-CG2 4.47Å
453	I	83.8	Confident	91.6	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	114.2	-171.9	-55.1	157.2	0	0	0	106.6	I53 L61 F439 V451 G455 T456 Q458	I53-I453 HydrophobicContact CD1-CD1 3.89Å; I53-I453 HydrophobicContact CD1-CG2 4.22Å; I53-I453 HydrophobicContact CG1-CG2 4.37Å; L61-I453 HydrophobicContact CD1-CD1 3.32Å; L61-I453 HydrophobicContact CD1-CG1 3.57Å; L61-I453 HydrophobicContact CD1-CG2 4.23Å; L61-I453 HydrophobicContact CD2-CG1 4.22Å; F439-I453 HydrophobicContact CE1-CD1 3.46Å; F439-I453 VanDerWaalsContact CE1-CD1 3.46Å; F439-I453 HydrophobicContact CZ-CD1 3.92Å; V451-I453 HydrophobicContact CB-CD1 4.42Å; V451-I453 HydrophobicContact CG1-CD1 4.3Å; V451-I453 HydrophobicContact CG1-CG1 4.09Å; I453-G455 VanDerWaalsContact C-N 3.26Å; I453-G455 PolarHBondContact O-N 3.18Å; I453-T456 PolarHBondContact N-O 2.88Å; I453-T456 WeakPolarHBondContact O-CA 3.44Å; I453-T456 WeakPolarHBondContact O-CB 3.47Å; I453-T456 PolarHBondContact O-N 3.43Å; I453-T456 VanDerWaalsContact O-O 3.09Å; I453-Q458 HydrophobicContact CD1-CB 3.98Å; I453-Q458 HydrophobicContact CD1-CG 3.96Å
454	N	85.5	Confident	92.1	Very high	126 Å²	126	50.2 Å²	50.2	67%	0.674	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.8	-176	-58.8	-25.7	0	0	0	113.8	E57 T456	E57-N454 PolarHBondContact OE1-ND2 3.23Å; N454-T456 PolarHBondContact O-N 3.09Å
455	G	87.8	Confident	92.5	Very high	60 Å²	60	44.2 Å²	44.2	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	3.6	-177.4	0	0	0	0	0	115.1	E452 I453	E452-G455 WeakPolarHBondContact OE1-CA 3.24Å; I453-G455 VanDerWaalsContact C-N 3.26Å; I453-G455 PolarHBondContact O-N 3.18Å
456	T	88.2	Confident	92.7	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	177.9	-56.1	0	0	0	0	109.6	I453 N454 Q458	I453-T456 PolarHBondContact N-O 2.88Å; I453-T456 WeakPolarHBondContact O-CA 3.44Å; I453-T456 WeakPolarHBondContact O-CB 3.47Å; I453-T456 PolarHBondContact O-N 3.43Å; I453-T456 VanDerWaalsContact O-O 3.09Å; N454-T456 PolarHBondContact O-N 3.09Å; T456-Q458 HydrophobicContact CG2-CG 4.38Å; T456-Q458 PolarHBondContact O-N 3.21Å
457	V	91.1	Very high	92.8	Very high	82 Å²	82	45.7 Å²	45.7	50%	0.497	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114.3	174.2	-179.7	0	0	0	0	109.2	P450 V451 E452	P450-V457 HydrophobicContact CB-CG1 3.61Å; V451-V457 WeakPolarHBondContact O-CA 3.44Å; E452-V457 HydrophobicContact CB-CG2 4.45Å; E452-V457 HydrophobicContact CG-CG2 4.47Å
458	Q	89	Confident	92.9	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.2	174.6	-55.3	-174.8	35.3	0	0	110.2	F439 P450 V451 I453 T456	F439-Q458 HydrophobicContact CD1-CB 3.88Å; F439-Q458 VanDerWaalsContact CD1-OE1 3.26Å; F439-Q458 HydrophobicContact CE1-CB 3.85Å; P450-Q458 WeakPolarHBondContact CA-O 3.4Å; V451-Q458 PolarHBondContact N-O 2.93Å; V451-Q458 PolarHBondContact O-N 2.86Å; I453-Q458 HydrophobicContact CD1-CB 3.98Å; I453-Q458 HydrophobicContact CD1-CG 3.96Å; T456-Q458 HydrophobicContact CG2-CG 4.38Å; T456-Q458 PolarHBondContact O-N 3.21Å
459	Q	93.1	Very high	93	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.5	-178.1	-60.9	-61.1	-25.2	0	0	109.9	V448 Y461	V448-Q459 HydrophobicContact CG1-CB 3.78Å; V448-Q459 HydrophobicContact CG1-CG 4.43Å; V448-Q459 VanDerWaalsContact CG1-OE1 3.31Å; Q459-Y461 HydrophobicContact CB-CE2 3.9Å; Q459-Y461 WeakPolarHBondContact O-CD2 3.39Å; Q459-Y461 WeakPolarHBondContact O-CE2 3.24Å
460	V	93.6	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.9	175.5	-172.7	0	0	0	0	108.9	V62 F439 V448 V449 V451 V462 Y491	V62-V460 HydrophobicContact CG2-CG1 4.34Å; F439-V460 HydrophobicContact CD1-CG2 4.13Å; F439-V460 HydrophobicContact CD2-CG2 4.36Å; F439-V460 HydrophobicContact CE1-CG2 3.58Å; F439-V460 HydrophobicContact CE2-CG2 3.85Å; F439-V460 HydrophobicContact CG-CG2 4.49Å; F439-V460 HydrophobicContact CZ-CG2 3.43Å; F439-V460 VanDerWaalsContact CZ-CG2 3.43Å; V448-V460 CarbonylContact C-O 3.33Å; V448-V460 VanDerWaalsContact CA-O 3.3Å; V448-V460 WeakPolarHBondContact CA-O 3.41Å; V449-V460 HydrophobicContact CB-CB 4.49Å; V449-V460 PolarHBondContact N-O 2.93Å; V449-V460 PolarHBondContact O-N 3.48Å; V451-V460 HydrophobicContact CB-CG2 4.28Å; V451-V460 HydrophobicContact CG2-CG2 3.7Å; V460-V462 HydrophobicContact CG1-CG2 4.3Å; V460-Y491 HydrophobicContact CG1-CD2 4.14Å; V460-Y491 HydrophobicContact CG1-CE2 3.83Å
461	Y	95.2	Very high	93.5	Very high	42 Å²	42	48.7 Å²	48.7	17%	0.165	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.6	178.8	-61.6	-90.4	0	0	0	109.2	S437 S438 K440 Y441 A445 V448 Q459	S437-Y461 WeakPolarHBondContact CA-O 3.47Å; S438-Y461 PolarHBondContact N-O 2.96Å; S438-Y461 WeakPolarHBondContact O-CD2 3.47Å; S438-Y461 PolarHBondContact O-N 3.11Å; K440-Y461 WeakPolarHBondContact O-CD2 3.32Å; Y441-Y461 HydrophobicContact CD2-CD1 4.2Å; Y441-Y461 AromaticContact CD2-CE1 3.48Å; Y441-Y461 HydrophobicContact CD2-CE1 3.48Å; Y441-Y461 VanDerWaalsContact CD2-CE1 3.48Å; Y441-Y461 AromaticContact CD2-CZ 3.68Å; Y441-Y461 AromaticContact CE2-CE1 3.99Å; Y441-Y461 HydrophobicContact CE2-CE1 3.99Å; Y441-Y461 HydrophobicContact CG-CE1 4.43Å; A445-Y461 HydrophobicContact CB-CD1 4.26Å; V448-Y461 HydrophobicContact CG1-CD1 4.34Å; V448-Y461 HydrophobicContact CG1-CE1 4.22Å; V448-Y461 HydrophobicContact CG2-CD1 3.69Å; V448-Y461 HydrophobicContact CG2-CE1 3.83Å; Q459-Y461 HydrophobicContact CB-CE2 3.9Å; Q459-Y461 WeakPolarHBondContact O-CD2 3.39Å; Q459-Y461 WeakPolarHBondContact O-CE2 3.24Å
462	V	96.1	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.5	-172.6	-170.7	0	0	0	0	110.2	V435 S437 D446 F447 V449 V460 V495	V435-V462 HydrophobicContact CB-CG1 3.89Å; V435-V462 HydrophobicContact CG1-CG1 4.13Å; V435-V462 HydrophobicContact CG2-CG1 4.34Å; S437-V462 WeakPolarHBondContact OG-CG1 3.31Å; S437-V462 WeakPolarHBondContact OG-CG2 3.29Å; D446-V462 PolarHBondContact N-O 2.97Å; F447-V462 HydrophobicContact CD1-CB 4.21Å; F447-V462 HydrophobicContact CD1-CG1 4.44Å; F447-V462 HydrophobicContact CD2-CB 3.97Å; F447-V462 HydrophobicContact CD2-CG2 4.1Å; F447-V462 HydrophobicContact CE1-CB 3.93Å; F447-V462 HydrophobicContact CE1-CG1 3.69Å; F447-V462 HydrophobicContact CE2-CB 3.68Å; F447-V462 HydrophobicContact CE2-CG1 3.82Å; F447-V462 HydrophobicContact CE2-CG2 3.78Å; F447-V462 HydrophobicContact CG-CB 4.24Å; F447-V462 HydrophobicContact CZ-CB 3.68Å; F447-V462 HydrophobicContact CZ-CG1 3.35Å; F447-V462 HydrophobicContact CZ-CG2 4.21Å; F447-V462 PolarHBondContact N-O 2.98Å; F447-V462 PolarHBondContact O-N 2.8Å; V449-V462 HydrophobicContact CG2-CG2 4.1Å; V460-V462 HydrophobicContact CG1-CG2 4.3Å; V462-V495 HydrophobicContact CG2-CG2 4.28Å
463	R	96.4	Very high	94.4	Very high	56 Å²	56	50.2 Å²	50.2	21%	0.211	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.8	169.2	-70	-177.8	-70.9	161.4	2.3	110.6	V435 H436 V442 N444 D446 W558 F559 G560	V435-R463 CarbonylContact C-O 3.44Å; V435-R463 VanDerWaalsContact CA-O 3.26Å; V435-R463 WeakPolarHBondContact CA-O 3.36Å; V435-R463 WeakPolarHBondContact CB-O 3.29Å; H436-R463 PolarHBondContact CD2-NH2 2.73Å; H436-R463 PolarHBondContact N-O 3.07Å; H436-R463 PolarHBondContact O-N 3.45Å; V442-R463 HydrophobicContact CG1-CG 4.4Å; N444-R463 WeakPolarHBondContact O-CD 3.33Å; N444-R463 WeakPolarHBondContact O-CG 3.43Å; D446-R463 VanDerWaalsContact OD2-CA 3.29Å; D446-R463 WeakPolarHBondContact OD2-CA 3.42Å; R463-W558 HydrophobicContact CB-CH2 3.84Å; R463-W558 HydrophobicContact CB-CZ3 4.25Å; R463-W558 WeakPolarHBondContact O-CZ3 3.15Å; R463-F559 PolarHBondContact NH2-O 2.81Å; R463-G560 VanDerWaalsContact NH1-CA 3.34Å; R463-G560 PolarHBondContact NH1-O 3.5Å
464	K	98	Very high	95.1	Very high	32 Å²	32	51.6 Å²	51.6	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.1	175.9	-61.1	175.7	74.7	-177.7	0	109.5	D446 F447 L468 D469 Y498 I499 W558	D446-K464 HydrophobicContact CB-CD 4.1Å; D446-K464 HydrophobicContact CB-CG 3.97Å; D446-K464 PolarHBondContact OD2-N 3.26Å; F447-K464 HydrophobicContact CE1-CD 4.45Å; F447-K464 HydrophobicContact CE1-CG 3.99Å; K464-L468 HydrophobicContact CB-CD2 4.09Å; K464-L468 HydrophobicContact CG-CD2 4.25Å; K464-D469 IonicContact NZ-OD1 3.57Å; K464-D469 PolarHBondContact NZ-OD1 3.29Å; K464-D469 IonicContact NZ-OD2 2.72Å; K464-D469 PolarHBondContact NZ-OD2 2.69Å; K464-Y498 HydrophobicContact CD-CE1 4.3Å; K464-I499 HydrophobicContact CG-CG2 4.28Å; K464-W558 WeakPolarHBondContact O-CH2 3.41Å
465	R	98.2	Very high	95.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.5	140.5	172.2	-172.3	169	-173.5	155.4	14.3	110.2	E432 T433 L434 Y467 L468 V556 W558 D564 A566 L567	E432-R465 PolarHBondContact O-NH1 3.04Å; T433-R465 WeakPolarHBondContact O-CD 3.3Å; T433-R465 PolarHBondContact O-NH1 3.36Å; L434-R465 WeakPolarHBondContact O-CB 3.36Å; L434-R465 PolarHBondContact O-N 3.4Å; R465-Y467 PolarHBondContact O-N 3.39Å; R465-L468 VanDerWaalsContact O-CB 3.27Å; R465-L468 WeakPolarHBondContact O-CB 3.42Å; R465-L468 PolarHBondContact O-N 2.91Å; R465-L468 VanDerWaalsContact O-N 3.12Å; R465-V556 VanDerWaalsContact CZ-O 3.31Å; R465-V556 PolarHBondContact NH1-O 2.93Å; R465-V556 VanDerWaalsContact NH2-CG2 3.33Å; R465-V556 PolarHBondContact NH2-O 2.67Å; R465-W558 HydrophobicContact CB-CD2 3.89Å; R465-W558 HydrophobicContact CB-CE3 3.84Å; R465-W558 HydrophobicContact CB-CG 4.4Å; R465-W558 HydrophobicContact CB-CH2 4.44Å; R465-W558 HydrophobicContact CB-CZ2 4.49Å; R465-W558 HydrophobicContact CB-CZ3 4.12Å; R465-W558 HydrophobicContact CG-CB 4.29Å; R465-W558 HydrophobicContact CG-CD2 3.75Å; R465-W558 HydrophobicContact CG-CE3 4.22Å; R465-W558 HydrophobicContact CG-CG 3.78Å; R465-W558 VanDerWaalsContact CZ-CB 3.46Å; R465-D564 IonicContact CZ-OD1 2.73Å; R465-D564 IonicContact CZ-OD2 3.27Å; R465-D564 IonicContact NE-OD1 3.4Å; R465-D564 PolarHBondContact NE-OD1 3.38Å; R465-D564 IonicContact NE-OD2 2.75Å; R465-D564 PolarHBondContact NE-OD2 2.99Å; R465-D564 IonicContact NH2-OD1 3.73Å; R465-D564 IonicContact NH2-OD2 2.75Å; R465-D564 PolarHBondContact NH2-OD2 2.75Å; R465-A566 VanDerWaalsContact NH2-CB 3.3Å; R465-L567 HydrophobicContact CB-CD1 3.85Å; R465-L567 HydrophobicContact CG-CD1 3.84Å; R465-L567 HydrophobicContact CG-CG 4.17Å
466	P	98.2	Very high	96.2	Very high	24 Å²	24	42.9 Å²	42.9	16%	0.156	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	141.3	177	-31.6	37	0	0	0	112.4	L468 W558 D561 D564	P466-L468 PolarHBondContact O-N 2.98Å; P466-W558 VanDerWaalsContact CD-CZ2 3.5Å; P466-W558 HydrophobicContact CG-CZ2 4.5Å; P466-D561 WeakPolarHBondContact CG-O 3.24Å; P466-D564 VanDerWaalsContact CB-O 3.29Å; P466-D564 WeakPolarHBondContact CB-O 3.28Å; P466-D564 HydrophobicContact CG-CB 4.14Å
467	Y	98.2	Very high	96.6	Very high	99 Å²	99	43 Å²	43	39%	0.388	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	8.2	-178.2	-45.5	-81.9	0	0	0	116.7	R465 D469 K470 F471 D564 Q565 C568	R465-Y467 PolarHBondContact O-N 3.39Å; Y467-D469 VanDerWaalsContact C-N 3.34Å; Y467-D469 PolarHBondContact O-N 3.49Å; Y467-K470 HydrophobicContact CD1-CD 4.09Å; Y467-K470 CarbonylContact O-C 3.53Å; Y467-K470 WeakPolarHBondContact O-CA 3.44Å; Y467-K470 WeakPolarHBondContact O-CB 3.35Å; Y467-K470 PolarHBondContact O-N 2.94Å; Y467-F471 WeakPolarHBondContact O-CB 3.45Å; Y467-F471 PolarHBondContact O-N 3.39Å; Y467-D564 WeakPolarHBondContact CE2-O 3.23Å; Y467-Q565 HydrophobicContact CE2-CB 4.27Å; Y467-Q565 HydrophobicContact CE2-CG 4.06Å; Y467-C568 HydrophobicContact CD1-CB 4.14Å; Y467-C568 HydrophobicContact CD2-CB 3.61Å; Y467-C568 HydrophobicContact CE2-CB 4.1Å; Y467-C568 HydrophobicContact CG-CB 3.63Å
468	L	98.4	Very high	96.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-48.6	-48.8	178.2	178.8	60.1	0	0	0	113.8	L434 V435 K464 R465 P466 K470 F471 L472 I499 L567	L434-L468 HydrophobicContact CB-CD1 3.81Å; L434-L468 HydrophobicContact CB-CD2 4.46Å; L434-L468 HydrophobicContact CD1-CD1 4.37Å; L434-L468 HydrophobicContact CD2-CD1 3.68Å; L434-L468 HydrophobicContact CG-CD1 4.13Å; V435-L468 HydrophobicContact CG1-CD2 4.32Å; K464-L468 HydrophobicContact CB-CD2 4.09Å; K464-L468 HydrophobicContact CG-CD2 4.25Å; R465-L468 VanDerWaalsContact O-CB 3.27Å; R465-L468 WeakPolarHBondContact O-CB 3.42Å; R465-L468 PolarHBondContact O-N 2.91Å; R465-L468 VanDerWaalsContact O-N 3.12Å; P466-L468 PolarHBondContact O-N 2.98Å; L468-K470 VanDerWaalsContact C-N 3.3Å; L468-K470 PolarHBondContact O-N 3.16Å; L468-F471 WeakPolarHBondContact O-CB 3.42Å; L468-F471 PolarHBondContact O-N 2.94Å; L468-L472 HydrophobicContact CD1-CD1 3.99Å; L468-L472 HydrophobicContact CD1-CG 4Å; L468-L472 HydrophobicContact CG-CD1 4.27Å; L468-L472 PolarHBondContact O-N 3.09Å; L468-I499 HydrophobicContact CD2-CB 3.9Å; L468-I499 HydrophobicContact CD2-CD1 4.29Å; L468-I499 HydrophobicContact CD2-CG2 3.86Å; L468-L567 HydrophobicContact CB-CD1 4.18Å; L468-L567 HydrophobicContact CD1-CD1 4.07Å
469	D	98.1	Very high	97.4	Very high	94 Å²	94	41.2 Å²	41.2	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-63.8	-35.2	179	-59.8	-65.5	0	0	0	112.8	K464 Y467 K473	K464-D469 IonicContact NZ-OD1 3.57Å; K464-D469 PolarHBondContact NZ-OD1 3.29Å; K464-D469 IonicContact NZ-OD2 2.72Å; K464-D469 PolarHBondContact NZ-OD2 2.69Å; Y467-D469 VanDerWaalsContact C-N 3.34Å; Y467-D469 PolarHBondContact O-N 3.49Å; D469-K473 WeakPolarHBondContact O-CB 3.49Å; D469-K473 PolarHBondContact O-N 3.28Å
470	K	98.2	Very high	97.6	Very high	111 Å²	111	37.8 Å²	37.8	48%	0.483	19%	0.185	S	C	.	.	H	α-helix	trans	-71.9	-37.2	176.6	-179.3	-169.6	174	-171.9	0	110.9	Y467 L468 A474 C568 I571	Y467-K470 HydrophobicContact CD1-CD 4.09Å; Y467-K470 CarbonylContact O-C 3.53Å; Y467-K470 WeakPolarHBondContact O-CA 3.44Å; Y467-K470 WeakPolarHBondContact O-CB 3.35Å; Y467-K470 PolarHBondContact O-N 2.94Å; L468-K470 VanDerWaalsContact C-N 3.3Å; L468-K470 PolarHBondContact O-N 3.16Å; K470-A474 VanDerWaalsContact O-CB 3.31Å; K470-A474 WeakPolarHBondContact O-CB 3.49Å; K470-A474 PolarHBondContact O-N 2.91Å; K470-A474 VanDerWaalsContact O-N 3.15Å; K470-C568 PolarHBondContact NZ-SG 2.96Å; K470-I571 HydrophobicContact CD-CD1 4.27Å; K470-I571 HydrophobicContact CG-CD1 4.01Å
471	F	98.6	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-61.7	177.4	176	-104	0	0	0	110.7	L428 L434 Y467 L468 K473 A474 I475 L567 L570 I571 L574	L428-F471 HydrophobicContact CD1-CE1 3.95Å; L428-F471 HydrophobicContact CD2-CE1 4.32Å; L428-F471 HydrophobicContact CD2-CZ 4.26Å; L434-F471 HydrophobicContact CD2-CD1 4.28Å; L434-F471 HydrophobicContact CD2-CE1 4Å; Y467-F471 WeakPolarHBondContact O-CB 3.45Å; Y467-F471 PolarHBondContact O-N 3.39Å; L468-F471 WeakPolarHBondContact O-CB 3.42Å; L468-F471 PolarHBondContact O-N 2.94Å; F471-K473 VanDerWaalsContact C-N 3.25Å; F471-K473 PolarHBondContact O-N 2.82Å; F471-A474 WeakPolarHBondContact O-CA 3.34Å; F471-A474 PolarHBondContact O-N 2.86Å; F471-I475 HydrophobicContact CD1-CD1 3.96Å; F471-I475 HydrophobicContact CD1-CG1 4.19Å; F471-I475 HydrophobicContact CD2-CG1 4.48Å; F471-I475 HydrophobicContact CE1-CD1 3.46Å; F471-I475 VanDerWaalsContact CE1-CD1 3.46Å; F471-I475 HydrophobicContact CE1-CG1 4.14Å; F471-I475 HydrophobicContact CE2-CD1 4.28Å; F471-I475 HydrophobicContact CE2-CG1 4.45Å; F471-I475 HydrophobicContact CE2-CG2 4.41Å; F471-I475 HydrophobicContact CG-CG1 4.37Å; F471-I475 HydrophobicContact CZ-CD1 3.65Å; F471-I475 HydrophobicContact CZ-CG1 4.28Å; F471-I475 WeakPolarHBondContact O-CG1 3.44Å; F471-I475 PolarHBondContact O-N 3.38Å; F471-L567 HydrophobicContact CB-CB 4.06Å; F471-L567 HydrophobicContact CD1-CD2 4.13Å; F471-L567 HydrophobicContact CD2-CB 4.08Å; F471-L567 HydrophobicContact CD2-CD2 4.24Å; F471-L567 VanDerWaalsContact CD2-O 3.24Å; F471-L567 WeakPolarHBondContact CD2-O 3.5Å; F471-L567 HydrophobicContact CE1-CD2 4.06Å; F471-L567 HydrophobicContact CE2-CD2 4.15Å; F471-L567 HydrophobicContact CG-CB 4.08Å; F471-L567 HydrophobicContact CG-CD2 4.21Å; F471-L567 HydrophobicContact CZ-CD2 4.07Å; F471-L570 HydrophobicContact CE2-CB 4.16Å; F471-I571 HydrophobicContact CB-CD1 4.47Å; F471-I571 HydrophobicContact CD2-CG1 3.95Å; F471-L574 HydrophobicContact CE2-CD1 3.61Å; F471-L574 HydrophobicContact CZ-CD1 3.86Å
472	L	98.6	Very high	98	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-55.1	-41.8	180	-65.1	178.3	0	0	0	111.7	L428 L468 A474 G476 D500 Y504 F505	L428-L472 HydrophobicContact CD1-CD2 4.21Å; L468-L472 HydrophobicContact CD1-CD1 3.99Å; L468-L472 HydrophobicContact CD1-CG 4Å; L468-L472 HydrophobicContact CG-CD1 4.27Å; L468-L472 PolarHBondContact O-N 3.09Å; L472-A474 VanDerWaalsContact C-N 3.3Å; L472-A474 PolarHBondContact O-N 3.05Å; L472-G476 WeakPolarHBondContact O-CA 3.37Å; L472-G476 PolarHBondContact O-N 3.32Å; L472-D500 HydrophobicContact CD1-CB 4.48Å; L472-Y504 HydrophobicContact CB-CD2 3.73Å; L472-Y504 HydrophobicContact CB-CE2 4.33Å; L472-Y504 HydrophobicContact CB-CG 4.4Å; L472-F505 HydrophobicContact CD1-CE2 4.3Å; L472-F505 HydrophobicContact CD2-CE2 4.09Å; L472-F505 HydrophobicContact CD2-CZ 3.95Å
473	K	98.3	Very high	98.2	Very high	145 Å²	145	35.8 Å²	35.8	63%	0.63	18%	0.177	S	C	*	.	H	α-helix	trans	-63.8	-28	175.7	-178.1	167.1	-177.4	172.5	0	114.9	D469 F471 P477 Y504	D469-K473 WeakPolarHBondContact O-CB 3.49Å; D469-K473 PolarHBondContact O-N 3.28Å; F471-K473 VanDerWaalsContact C-N 3.25Å; F471-K473 PolarHBondContact O-N 2.82Å; K473-P477 WeakPolarHBondContact O-CD 3.49Å; K473-Y504 HydrophobicContact CB-CE2 4.19Å
474	A	98.4	Very high	98.2	Very high	34 Å²	34	33.2 Å²	33.2	28%	0.281	17%	0.167	S	C	.	.	H	α-helix	trans	-86.7	-42.2	178	0	0	0	0	0	112.6	K470 F471 L472 L478 I571	K470-A474 VanDerWaalsContact O-CB 3.31Å; K470-A474 WeakPolarHBondContact O-CB 3.49Å; K470-A474 PolarHBondContact O-N 2.91Å; K470-A474 VanDerWaalsContact O-N 3.15Å; F471-A474 WeakPolarHBondContact O-CA 3.34Å; F471-A474 PolarHBondContact O-N 2.86Å; L472-A474 VanDerWaalsContact C-N 3.3Å; L472-A474 PolarHBondContact O-N 3.05Å; A474-L478 WeakPolarHBondContact O-CD1 3.39Å; A474-I571 HydrophobicContact CB-CD1 4.18Å; A474-I571 HydrophobicContact CB-CG1 4.2Å; A474-I571 HydrophobicContact CB-CG2 3.65Å
475	I	98.1	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-90.2	-32.9	-175.1	54.6	139.3	0	0	0	114.3	L426 L428 F471 L478 F479 L574	L426-I475 HydrophobicContact CD2-CB 4.38Å; L426-I475 HydrophobicContact CD2-CD1 3.6Å; L428-I475 HydrophobicContact CD1-CD1 3.8Å; F471-I475 HydrophobicContact CD1-CD1 3.96Å; F471-I475 HydrophobicContact CD1-CG1 4.19Å; F471-I475 HydrophobicContact CD2-CG1 4.48Å; F471-I475 HydrophobicContact CE1-CD1 3.46Å; F471-I475 VanDerWaalsContact CE1-CD1 3.46Å; F471-I475 HydrophobicContact CE1-CG1 4.14Å; F471-I475 HydrophobicContact CE2-CD1 4.28Å; F471-I475 HydrophobicContact CE2-CG1 4.45Å; F471-I475 HydrophobicContact CE2-CG2 4.41Å; F471-I475 HydrophobicContact CG-CG1 4.37Å; F471-I475 HydrophobicContact CZ-CD1 3.65Å; F471-I475 HydrophobicContact CZ-CG1 4.28Å; F471-I475 WeakPolarHBondContact O-CG1 3.44Å; F471-I475 PolarHBondContact O-N 3.38Å; I475-L478 WeakPolarHBondContact O-CA 3.38Å; I475-L478 WeakPolarHBondContact O-CB 2.95Å; I475-L478 PolarHBondContact O-N 3.01Å; I475-F479 HydrophobicContact CB-CD2 4.21Å; I475-F479 PolarHBondContact O-N 3.47Å; I475-F479 VanDerWaalsContact O-N 3.13Å; I475-L574 HydrophobicContact CG2-CB 3.96Å; I475-L574 HydrophobicContact CG2-CD1 3.97Å
476	G	97.6	Very high	98.1	Very high	4 Å²	4	31.6 Å²	31.6	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.7	-178.9	0	0	0	0	0	115.2	L472 L478	L472-G476 WeakPolarHBondContact O-CA 3.37Å; L472-G476 PolarHBondContact O-N 3.32Å; G476-L478 VanDerWaalsContact C-N 3.27Å; G476-L478 PolarHBondContact O-N 2.89Å
477	P	97.2	Very high	97.9	Very high	76 Å²	76	30.5 Å²	30.5	49%	0.494	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.2	171.8	-24.1	36	0	0	0	114.7	K423 K473 Y504	K423-P477 VanDerWaalsContact CE-O 3.24Å; K423-P477 WeakPolarHBondContact CE-O 3.46Å; K423-P477 PolarHBondContact NZ-O 2.92Å; K473-P477 WeakPolarHBondContact O-CD 3.49Å; P477-Y504 HydrophobicContact CG-CE1 4.33Å
478	L	98	Very high	97.6	Very high	65 Å²	65	27.4 Å²	27.4	34%	0.34	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-27.8	-171.7	-56.2	179.2	0	0	0	113.7	A474 I475 G476 T575 A578	A474-L478 WeakPolarHBondContact O-CD1 3.39Å; I475-L478 WeakPolarHBondContact O-CA 3.38Å; I475-L478 WeakPolarHBondContact O-CB 2.95Å; I475-L478 PolarHBondContact O-N 3.01Å; G476-L478 VanDerWaalsContact C-N 3.27Å; G476-L478 PolarHBondContact O-N 2.89Å; L478-T575 HydrophobicContact CD1-CG2 4.15Å; L478-A578 HydrophobicContact CB-CB 4.15Å
479	F	98.6	Very high	97.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	164.6	-175.6	-67.4	-89	0	0	0	112.7	K423 K424 L426 I475 L574 L577 A578	K423-F479 VanDerWaalsContact CD-O 3.26Å; K423-F479 WeakPolarHBondContact CD-O 3.49Å; K424-F479 HydrophobicContact CB-CD1 3.73Å; K424-F479 HydrophobicContact CB-CE1 3.85Å; K424-F479 HydrophobicContact CD-CE1 4.44Å; K424-F479 WeakPolarHBondContact O-CA 3.35Å; L426-F479 HydrophobicContact CB-CB 3.66Å; L426-F479 HydrophobicContact CB-CD1 3.64Å; L426-F479 HydrophobicContact CB-CD2 4.39Å; L426-F479 HydrophobicContact CB-CE1 4.34Å; L426-F479 HydrophobicContact CB-CG 3.66Å; L426-F479 HydrophobicContact CD2-CB 4.3Å; L426-F479 HydrophobicContact CD2-CD1 4.31Å; L426-F479 HydrophobicContact CD2-CD2 3.72Å; L426-F479 HydrophobicContact CD2-CE2 4.04Å; L426-F479 HydrophobicContact CD2-CG 3.87Å; L426-F479 HydrophobicContact CD2-CZ 4.44Å; L426-F479 HydrophobicContact CG-CD1 4.46Å; L426-F479 HydrophobicContact CG-CG 4.38Å; I475-F479 HydrophobicContact CB-CD2 4.21Å; I475-F479 PolarHBondContact O-N 3.47Å; I475-F479 VanDerWaalsContact O-N 3.13Å; F479-L574 HydrophobicContact CE2-CB 4.11Å; F479-L574 WeakPolarHBondContact CE2-O 3.33Å; F479-L574 HydrophobicContact CZ-CB 4.34Å; F479-L574 VanDerWaalsContact CZ-O 3.24Å; F479-L574 WeakPolarHBondContact CZ-O 3.45Å; F479-L577 HydrophobicContact CE1-CD2 4.41Å; F479-L577 HydrophobicContact CE1-CG 4.42Å; F479-L577 HydrophobicContact CZ-CB 4.37Å; F479-L577 HydrophobicContact CZ-CD2 4.29Å; F479-L577 HydrophobicContact CZ-CG 4.3Å; F479-A578 HydrophobicContact CE1-CB 4.23Å; F479-A578 HydrophobicContact CE2-CB 3.92Å; F479-A578 HydrophobicContact CZ-CB 3.72Å
480	E	98.4	Very high	97.1	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	96.9	152.9	-177.3	178.6	-157.4	0	0	106.4	C420 K424 C425 L426 R506 H507 R530	C420-E480 HydrophobicContact CB-CB 4.04Å; C420-E480 HydrophobicContact CB-CG 4.16Å; K424-E480 PolarHBondContact O-N 3.4Å; C425-E480 WeakPolarHBondContact CA-O 3.1Å; L426-E480 PolarHBondContact N-O 3Å; E480-R506 HydrophobicContact CG-CB 4.23Å; E480-R506 HydrophobicContact CG-CG 4.35Å; E480-H507 IonicContact OE1-CD2 2.77Å; E480-H507 IonicContact OE1-NE2 3.69Å; E480-H507 PolarHBondContact OE1-NE2 3.15Å; E480-R530 IonicContact OE1-CZ 3.79Å; E480-R530 IonicContact OE1-NE 2.81Å; E480-R530 PolarHBondContact OE1-NE 3.2Å; E480-R530 IonicContact OE1-NH2 3.4Å; E480-R530 PolarHBondContact OE1-NH2 3.06Å; E480-R530 IonicContact OE2-CZ 2.69Å; E480-R530 IonicContact OE2-NE 3.01Å; E480-R530 PolarHBondContact OE2-NE 2.7Å; E480-R530 IonicContact OE2-NH2 3.26Å
481	C	98.6	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.5	-178.6	-66.2	0	0	0	0	111.1	L426 F505 R506	L426-C481 WeakPolarHBondContact O-CA 3.33Å; C481-F505 HydrophobicContact CB-CD1 4.05Å; C481-F505 HydrophobicContact CB-CE1 4.47Å; C481-R506 PolarHBondContact O-N 3.44Å
482	V	98.7	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121	177.1	178.3	0	0	0	0	107.9	L413 L426 V427 L428 F484 H507 L509	L413-V482 HydrophobicContact CD1-CG2 3.83Å; L413-V482 HydrophobicContact CD2-CG1 4.04Å; L413-V482 HydrophobicContact CD2-CG2 4.08Å; L426-V482 PolarHBondContact O-N 3.32Å; V427-V482 WeakPolarHBondContact CA-O 3.27Å; V427-V482 HydrophobicContact CG2-CB 4.43Å; L428-V482 PolarHBondContact N-O 2.79Å; V482-F484 HydrophobicContact CG1-CB 4.45Å; V482-H507 HydrophobicContact CG1-CB 4.27Å; V482-H507 HydrophobicContact CG2-CB 4.26Å; V482-L509 HydrophobicContact CG1-CD1 4.02Å; V482-L509 HydrophobicContact CG1-CG 4.16Å
483	M	98.6	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.7	164.8	-175.3	-177.8	73.5	0	0	106.6	L428 L430 A492 C496 F505 H507 R508 L509 F510	L428-M483 WeakPolarHBondContact O-CA 3.21Å; L430-M483 HydrophobicContact CB-CG 4.47Å; L430-M483 HydrophobicContact CB-SD 4.31Å; L430-M483 HydrophobicContact CD1-SD 4.01Å; L430-M483 HydrophobicContact CD2-SD 4.02Å; L430-M483 HydrophobicContact CG-SD 4.35Å; M483-A492 HydrophobicContact CE-CB 4.42Å; M483-C496 HydrophobicContact CE-CB 3.85Å; M483-C496 HydrophobicContact SD-CB 3.76Å; M483-F505 HydrophobicContact CB-CD1 3.73Å; M483-F505 HydrophobicContact CB-CE1 3.7Å; M483-F505 HydrophobicContact CB-CG 4.15Å; M483-F505 HydrophobicContact CB-CZ 4.12Å; M483-F505 VanDerWaalsContact N-CD1 3.25Å; M483-H507 PolarHBondContact N-O 2.97Å; M483-R508 HydrophobicContact CE-CB 4.06Å; M483-R508 HydrophobicContact CE-CG 4.13Å; M483-L509 PolarHBondContact O-N 3.46Å; M483-F510 HydrophobicContact CE-CD1 4.31Å; M483-F510 HydrophobicContact CE-CE1 3.57Å; M483-F510 HydrophobicContact CE-CZ 3.97Å
484	F	98.4	Very high	96.6	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	96.3	174.1	-164.4	171.6	0	0	0	109	V427 L428 V482 L509 A513 K523 L528	V427-F484 HydrophobicContact CG1-CB 3.48Å; V427-F484 VanDerWaalsContact CG1-CB 3.48Å; V427-F484 HydrophobicContact CG1-CD1 4.05Å; V427-F484 HydrophobicContact CG1-CG 4.27Å; L428-F484 PolarHBondContact O-N 3.16Å; V482-F484 HydrophobicContact CG1-CB 4.45Å; F484-L509 WeakPolarHBondContact CA-O 3.48Å; F484-L509 HydrophobicContact CB-CB 4.07Å; F484-L509 HydrophobicContact CD1-CB 4.3Å; F484-L509 HydrophobicContact CD1-CD1 3.78Å; F484-L509 HydrophobicContact CD2-CB 3.5Å; F484-L509 VanDerWaalsContact CD2-CB 3.5Å; F484-L509 HydrophobicContact CD2-CD1 4.42Å; F484-L509 HydrophobicContact CE1-CD1 3.95Å; F484-L509 HydrophobicContact CE2-CB 3.95Å; F484-L509 HydrophobicContact CG-CB 3.7Å; F484-L509 HydrophobicContact CG-CD1 4.04Å; F484-L509 HydrophobicContact CZ-CD1 4.33Å; F484-A513 HydrophobicContact CE2-CB 3.74Å; F484-A513 HydrophobicContact CZ-CB 3.89Å; F484-K523 HydrophobicContact CB-CD 4.41Å; F484-K523 HydrophobicContact CD1-CB 3.83Å; F484-K523 HydrophobicContact CD1-CD 4.4Å; F484-K523 HydrophobicContact CD1-CG 4.18Å; F484-K523 HydrophobicContact CD2-CD 4.19Å; F484-K523 HydrophobicContact CD2-CG 4.06Å; F484-K523 HydrophobicContact CE1-CB 3.63Å; F484-K523 HydrophobicContact CE1-CG 4.14Å; F484-K523 HydrophobicContact CE2-CB 4.4Å; F484-K523 HydrophobicContact CE2-CG 4.01Å; F484-K523 HydrophobicContact CG-CB 4.31Å; F484-K523 HydrophobicContact CG-CD 4.07Å; F484-K523 HydrophobicContact CG-CG 4.15Å; F484-K523 HydrophobicContact CZ-CB 3.94Å; F484-K523 HydrophobicContact CZ-CG 4.06Å; F484-K523 WeakPolarHBondContact O-CD 3.25Å; F484-K523 VanDerWaalsContact O-CE 3.24Å; F484-K523 WeakPolarHBondContact O-CE 3.35Å; F484-K523 PolarHBondContact O-NZ 3.03Å; F484-L528 HydrophobicContact CD1-CD2 4.41Å; F484-L528 HydrophobicContact CE1-CD2 4.3Å
485	T	97.6	Very high	96.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.113	C	C	.	.			trans	-102.7	151.2	177.1	179.3	0	0	0	0	111.5	D429 L430 D431 S487 A492 L509 F510 R511	D429-T485 WeakPolarHBondContact OD1-CA 3.35Å; L430-T485 HydrophobicContact CB-CG2 4.39Å; L430-T485 HydrophobicContact CD2-CG2 4.35Å; D431-T485 PolarHBondContact OD2-OG1 3.04Å; T485-S487 WeakPolarHBondContact OG1-CB 3.43Å; T485-S487 PolarHBondContact OG1-N 3.21Å; T485-S487 PolarHBondContact OG1-OG 3.17Å; T485-A492 HydrophobicContact CG2-CB 3.69Å; T485-L509 PolarHBondContact N-O 2.67Å; T485-L509 VanDerWaalsContact N-O 3.07Å; T485-F510 HydrophobicContact CG2-CD1 4.04Å; T485-F510 CarbonylContact O-C 3.55Å; T485-F510 VanDerWaalsContact O-CA 3.28Å; T485-F510 WeakPolarHBondContact O-CA 3.1Å; T485-R511 PolarHBondContact O-N 3.02Å
486	A	95	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-80.7	-2.4	167.5	0	0	0	0	0	112.6	S64 R511 L521	S64-A486 VanDerWaalsContact OG-CB 3.3Å; S64-A486 WeakPolarHBondContact OG-CB 3.36Å; A486-R511 WeakPolarHBondContact O-CB 3.47Å; A486-R511 PolarHBondContact O-NE 3.38Å; A486-R511 PolarHBondContact O-NH2 2.84Å; A486-L521 HydrophobicContact CB-CB 4.23Å; A486-L521 HydrophobicContact CB-CD1 4Å
487	S	93.9	Very high	96.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	14%	0.135	C	C	.	.	S	Bend	trans	-79.8	165.3	179.1	-62.7	0	0	0	0	112.9	L61 V62 D431 T485 R511	L61-S487 WeakPolarHBondContact O-CB 3.48Å; V62-S487 PolarHBondContact O-OG 3.46Å; V62-S487 VanDerWaalsContact O-OG 3.09Å; D431-S487 WeakPolarHBondContact OD2-CB 3.37Å; D431-S487 PolarHBondContact OD2-OG 2.77Å; T485-S487 WeakPolarHBondContact OG1-CB 3.43Å; T485-S487 PolarHBondContact OG1-N 3.21Å; T485-S487 PolarHBondContact OG1-OG 3.17Å; S487-R511 PolarHBondContact O-N 2.82Å; S487-R511 VanDerWaalsContact O-N 3.12Å
488	L	92.1	Very high	96.5	Very high	33 Å²	33	27.4 Å²	27.4	17%	0.173	13%	0.131	C	C	.	.			trans	-81.3	139.5	-178.8	-79.2	170.6	0	0	0	112.3	R60 L61 K490 Y491 A492 R511	R60-L488 HydrophobicContact CB-CD1 4.49Å; R60-L488 VanDerWaalsContact O-CD1 3.24Å; R60-L488 WeakPolarHBondContact O-CD1 3.31Å; R60-L488 VanDerWaalsContact O-CG 3.23Å; R60-L488 WeakPolarHBondContact O-CG 3.31Å; L61-L488 HydrophobicContact CD2-CD1 4.07Å; L61-L488 PolarHBondContact O-N 2.99Å; L488-K490 VanDerWaalsContact C-N 3.26Å; L488-K490 HydrophobicContact CB-CG 4.38Å; L488-K490 PolarHBondContact O-N 3.36Å; L488-K490 VanDerWaalsContact O-N 3.14Å; L488-Y491 PolarHBondContact O-N 2.81Å; L488-A492 PolarHBondContact O-N 3.03Å; L488-R511 HydrophobicContact CD2-CB 4.44Å
489	R	94.5	Very high	96.4	Very high	83 Å²	83	24.6 Å²	24.6	31%	0.313	12%	0.117	S	C	.	.	H	α-helix	trans	-47.1	-43.1	179.1	-175.8	-178.4	-66.2	-99.9	1.8	114	Y491 A492 D493 F510 E512	R489-Y491 PolarHBondContact O-N 3.39Å; R489-Y491 VanDerWaalsContact O-N 3.09Å; R489-A492 PolarHBondContact O-N 2.69Å; R489-D493 HydrophobicContact CG-CB 4.09Å; R489-D493 VanDerWaalsContact O-CB 3.22Å; R489-D493 WeakPolarHBondContact O-CB 3.46Å; R489-D493 PolarHBondContact O-N 3.17Å; R489-F510 HydrophobicContact CB-CB 4.38Å; R489-F510 HydrophobicContact CB-CD1 4.02Å; R489-F510 HydrophobicContact CB-CD2 4.2Å; R489-F510 HydrophobicContact CB-CE1 4.29Å; R489-F510 HydrophobicContact CB-CE2 4.49Å; R489-F510 HydrophobicContact CB-CG 3.94Å; R489-F510 HydrophobicContact CG-CD1 4.39Å; R489-F510 HydrophobicContact CG-CD2 4.17Å; R489-F510 HydrophobicContact CG-CE1 4.21Å; R489-F510 HydrophobicContact CG-CE2 4.01Å; R489-F510 HydrophobicContact CG-CG 4.35Å; R489-F510 HydrophobicContact CG-CZ 4Å; R489-F510 VanDerWaalsContact CZ-CD2 3.44Å; R489-F510 VanDerWaalsContact CZ-CE2 3.41Å; R489-E512 IonicContact CZ-OE1 3.71Å; R489-E512 VanDerWaalsContact CZ-OE1 3.26Å; R489-E512 IonicContact NE-OE1 2.73Å; R489-E512 PolarHBondContact NE-OE1 2.85Å; R489-E512 IonicContact NH2-OE1 3.81Å; R489-E512 PolarHBondContact NH2-OE1 2.81Å
490	K	92.7	Very high	96.4	Very high	81 Å²	81	24.8 Å²	24.8	35%	0.352	12%	0.118	S	C	.	.	H	α-helix	trans	-62.3	-15.7	-179.2	68.6	-172.9	-175.6	-171.9	0	115.2	L61 E401 V451 L488	L61-K490 HydrophobicContact CD2-CD 4.44Å; L61-K490 HydrophobicContact CD2-CG 4.38Å; E401-K490 WeakPolarHBondContact OE1-CE 3.49Å; E401-K490 IonicContact OE1-NZ 3.14Å; E401-K490 PolarHBondContact OE1-NZ 3.23Å; V451-K490 HydrophobicContact CG1-CG 4.14Å; L488-K490 VanDerWaalsContact C-N 3.26Å; L488-K490 HydrophobicContact CB-CG 4.38Å; L488-K490 PolarHBondContact O-N 3.36Å; L488-K490 VanDerWaalsContact O-N 3.14Å
491	Y	94.7	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-103	-51.7	169.1	153.3	-103	0	0	0	111	L61 V62 L430 D431 S437 V451 V460 L488 R489 D493 P494 V495	L61-Y491 VanDerWaalsContact O-CD1 3.23Å; L61-Y491 WeakPolarHBondContact O-CD1 3.37Å; V62-Y491 HydrophobicContact CB-CE1 4.3Å; V62-Y491 HydrophobicContact CG1-CE1 4.3Å; V62-Y491 HydrophobicContact CG2-CD1 3.92Å; V62-Y491 HydrophobicContact CG2-CD2 3.88Å; V62-Y491 HydrophobicContact CG2-CE1 3.97Å; V62-Y491 HydrophobicContact CG2-CE2 3.92Å; V62-Y491 HydrophobicContact CG2-CG 3.88Å; L430-Y491 HydrophobicContact CD2-CE1 4.33Å; D431-Y491 VanDerWaalsContact OD1-CE1 3.23Å; D431-Y491 WeakPolarHBondContact OD1-CE1 3.49Å; D431-Y491 VanDerWaalsContact OD1-CZ 3.28Å; D431-Y491 PolarHBondContact OD1-OH 2.94Å; S437-Y491 VanDerWaalsContact CB-OH 3.28Å; S437-Y491 WeakPolarHBondContact CB-OH 3.37Å; S437-Y491 PolarHBondContact OG-OH 3.2Å; V451-Y491 HydrophobicContact CG2-CD2 4.39Å; V460-Y491 HydrophobicContact CG1-CD2 4.14Å; V460-Y491 HydrophobicContact CG1-CE2 3.83Å; L488-Y491 PolarHBondContact O-N 2.81Å; R489-Y491 PolarHBondContact O-N 3.39Å; R489-Y491 VanDerWaalsContact O-N 3.09Å; Y491-D493 PolarHBondContact O-N 3.01Å; Y491-P494 WeakPolarHBondContact O-CD 3.44Å; Y491-V495 HydrophobicContact CD2-CG2 3.95Å; Y491-V495 HydrophobicContact CE2-CG2 3.44Å; Y491-V495 VanDerWaalsContact CE2-CG2 3.44Å; Y491-V495 WeakPolarHBondContact O-CG2 3.43Å; Y491-V495 PolarHBondContact O-N 3.05Å
492	A	96.4	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-27.3	-168.1	0	0	0	0	0	114.7	L430 M483 T485 L488 R489 V495 C496 F510	L430-A492 HydrophobicContact CD2-CB 3.6Å; M483-A492 HydrophobicContact CE-CB 4.42Å; T485-A492 HydrophobicContact CG2-CB 3.69Å; L488-A492 PolarHBondContact O-N 3.03Å; R489-A492 PolarHBondContact O-N 2.69Å; A492-V495 PolarHBondContact O-N 3.28Å; A492-C496 WeakPolarHBondContact O-CB 3.47Å; A492-C496 PolarHBondContact O-N 2.85Å; A492-F510 HydrophobicContact CB-CD1 3.76Å; A492-F510 HydrophobicContact CB-CE1 3.72Å
493	D	95.7	Very high	95.8	Very high	44 Å²	44	35.2 Å²	35.2	24%	0.235	20%	0.197	C	C	.	.	H	α-helix	trans	-72.2	-46.9	-178.2	-155.5	37.2	0	0	0	111.5	R489 Y491 V495 C496 D497 R508 F510	R489-D493 HydrophobicContact CG-CB 4.09Å; R489-D493 VanDerWaalsContact O-CB 3.22Å; R489-D493 WeakPolarHBondContact O-CB 3.46Å; R489-D493 PolarHBondContact O-N 3.17Å; Y491-D493 PolarHBondContact O-N 3.01Å; D493-V495 VanDerWaalsContact C-N 3.31Å; D493-V495 PolarHBondContact O-N 2.97Å; D493-C496 PolarHBondContact O-N 2.84Å; D493-D497 PolarHBondContact O-N 2.85Å; D493-R508 WeakPolarHBondContact OD1-CD 3.08Å; D493-R508 IonicContact OD1-CZ 3.21Å; D493-R508 IonicContact OD1-NE 2.77Å; D493-R508 IonicContact OD1-NH1 2.71Å; D493-R508 PolarHBondContact OD1-NH1 3.17Å; D493-F510 HydrophobicContact CB-CE1 4.01Å; D493-F510 HydrophobicContact CB-CZ 3.85Å
494	P	96	Very high	95.7	Very high	58 Å²	58	37.5 Å²	37.5	38%	0.377	21%	0.206	S	C	.	.	H	α-helix	trans	-58.5	-34.2	166.8	-26.1	33.9	0	0	0	115.1	V449 Y491 Y498	V449-P494 HydrophobicContact CG1-CB 3.74Å; V449-P494 HydrophobicContact CG1-CG 4.22Å; V449-P494 HydrophobicContact CG2-CB 4.47Å; Y491-P494 WeakPolarHBondContact O-CD 3.44Å; P494-Y498 PolarHBondContact O-N 2.73Å
495	V	97.1	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-45.2	174.5	172.4	0	0	0	0	110.5	L430 V435 F447 V449 V462 Y491 A492 D493 D497 Y498 I499	L430-V495 HydrophobicContact CD1-CG1 3.81Å; L430-V495 HydrophobicContact CD2-CB 4.28Å; L430-V495 HydrophobicContact CD2-CG1 3.99Å; L430-V495 HydrophobicContact CG-CG1 4.28Å; V435-V495 HydrophobicContact CG1-CG1 4.25Å; V435-V495 HydrophobicContact CG2-CG1 4.1Å; F447-V495 HydrophobicContact CE2-CB 4.42Å; F447-V495 HydrophobicContact CE2-CG1 4.36Å; F447-V495 HydrophobicContact CE2-CG2 4.15Å; F447-V495 HydrophobicContact CZ-CG1 4.06Å; V449-V495 HydrophobicContact CG2-CG2 3.87Å; V462-V495 HydrophobicContact CG2-CG2 4.28Å; Y491-V495 HydrophobicContact CD2-CG2 3.95Å; Y491-V495 HydrophobicContact CE2-CG2 3.44Å; Y491-V495 VanDerWaalsContact CE2-CG2 3.44Å; Y491-V495 WeakPolarHBondContact O-CG2 3.43Å; Y491-V495 PolarHBondContact O-N 3.05Å; A492-V495 PolarHBondContact O-N 3.28Å; D493-V495 VanDerWaalsContact C-N 3.31Å; D493-V495 PolarHBondContact O-N 2.97Å; V495-D497 VanDerWaalsContact C-N 3.32Å; V495-D497 PolarHBondContact O-N 2.77Å; V495-Y498 PolarHBondContact O-N 3.41Å; V495-I499 PolarHBondContact O-N 3.13Å; V495-I499 VanDerWaalsContact O-N 3.07Å
496	C	97.6	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-39.8	178.2	-166	0	0	0	0	112.2	M483 A492 D493 Y498 I499 D500 F505 R508	M483-C496 HydrophobicContact CE-CB 3.85Å; M483-C496 HydrophobicContact SD-CB 3.76Å; A492-C496 WeakPolarHBondContact O-CB 3.47Å; A492-C496 PolarHBondContact O-N 2.85Å; D493-C496 PolarHBondContact O-N 2.84Å; C496-Y498 VanDerWaalsContact C-N 3.29Å; C496-Y498 PolarHBondContact O-N 2.89Å; C496-I499 PolarHBondContact O-N 2.86Å; C496-D500 WeakPolarHBondContact O-CB 3.48Å; C496-D500 PolarHBondContact O-N 2.94Å; C496-F505 VanDerWaalsContact SG-CD2 3.56Å; C496-R508 VanDerWaalsContact SG-CZ 3.59Å; C496-R508 PolarHBondContact SG-NE 3.12Å
497	D	96.8	Very high	95.8	Very high	93 Å²	93	42 Å²	42	50%	0.497	22%	0.224	S	C	.	.	H	α-helix	trans	-61.1	-35.5	175.4	-78.1	-10.9	0	0	0	112.8	D493 V495 R508	D493-D497 PolarHBondContact O-N 2.85Å; V495-D497 VanDerWaalsContact C-N 3.32Å; V495-D497 PolarHBondContact O-N 2.77Å; D497-R508 IonicContact OD1-CZ 1.94Å; D497-R508 IonicContact OD1-NH1 3.95Å; D497-R508 PolarHBondContact OD1-NH1 3.09Å; D497-R508 IonicContact OD1-NH2 3.98Å; D497-R508 PolarHBondContact OD1-NH2 2.86Å
498	Y	96.4	Very high	96	Very high	109 Å²	109	43.9 Å²	43.9	43%	0.427	23%	0.231	S	C	.	.	H	α-helix	trans	-75	-43.8	177.5	-167.3	-76.5	0	0	0	112.4	D446 F447 K464 P494 V495 C496	D446-Y498 PolarHBondContact O-OH 3.03Å; F447-Y498 HydrophobicContact CB-CD1 4.3Å; F447-Y498 HydrophobicContact CB-CD2 3.71Å; F447-Y498 HydrophobicContact CB-CE1 4.09Å; F447-Y498 HydrophobicContact CB-CE2 3.44Å; F447-Y498 VanDerWaalsContact CB-CE2 3.44Å; F447-Y498 HydrophobicContact CB-CG 4.13Å; F447-Y498 AromaticContact CD1-CD1 3.19Å; F447-Y498 HydrophobicContact CD1-CD1 3.19Å; F447-Y498 HydrophobicContact CD1-CD2 4.12Å; F447-Y498 AromaticContact CD1-CE1 3.31Å; F447-Y498 HydrophobicContact CD1-CE1 3.31Å; F447-Y498 HydrophobicContact CD1-CE2 4.19Å; F447-Y498 AromaticContact CD1-CG 3.64Å; F447-Y498 HydrophobicContact CD1-CG 3.64Å; F447-Y498 AromaticContact CD1-CZ 3.81Å; F447-Y498 HydrophobicContact CD2-CD1 4.22Å; F447-Y498 AromaticContact CD2-CD2 3.99Å; F447-Y498 HydrophobicContact CD2-CD2 3.99Å; F447-Y498 AromaticContact CD2-CG 3.79Å; F447-Y498 HydrophobicContact CD2-CG 3.79Å; F447-Y498 AromaticContact CE1-CD1 3.33Å; F447-Y498 HydrophobicContact CE1-CD1 3.33Å; F447-Y498 AromaticContact CE1-CE1 3.84Å; F447-Y498 HydrophobicContact CE1-CE1 3.84Å; F447-Y498 AromaticContact CE1-CG 3.86Å; F447-Y498 HydrophobicContact CE1-CG 3.86Å; F447-Y498 HydrophobicContact CE2-CD1 4.3Å; F447-Y498 AromaticContact CE2-CG 3.98Å; F447-Y498 HydrophobicContact CE2-CG 3.98Å; F447-Y498 AromaticContact CG-CD1 3.68Å; F447-Y498 HydrophobicContact CG-CD1 3.68Å; F447-Y498 AromaticContact CG-CD2 3.7Å; F447-Y498 HydrophobicContact CG-CD2 3.7Å; F447-Y498 AromaticContact CG-CE1 3.87Å; F447-Y498 HydrophobicContact CG-CE1 3.87Å; F447-Y498 AromaticContact CG-CE2 3.87Å; F447-Y498 HydrophobicContact CG-CE2 3.87Å; F447-Y498 AromaticContact CG-CG 3.6Å; F447-Y498 HydrophobicContact CG-CG 3.6Å; F447-Y498 AromaticContact CG-CZ 3.95Å; F447-Y498 AromaticContact CZ-CD1 3.88Å; F447-Y498 HydrophobicContact CZ-CD1 3.88Å; F447-Y498 HydrophobicContact CZ-CG 4Å; K464-Y498 HydrophobicContact CD-CE1 4.3Å; P494-Y498 PolarHBondContact O-N 2.73Å; V495-Y498 PolarHBondContact O-N 3.41Å; C496-Y498 VanDerWaalsContact C-N 3.29Å; C496-Y498 PolarHBondContact O-N 2.89Å
499	I	97.5	Very high	96.3	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-80.4	-22	-175.6	68.8	176.3	0	0	0	113.8	L430 L434 V435 F447 K464 L468 V495 C496 F505	L430-I499 HydrophobicContact CD1-CD1 3.78Å; L434-I499 HydrophobicContact CD1-CD1 4.39Å; V435-I499 HydrophobicContact CG1-CD1 4.38Å; V435-I499 HydrophobicContact CG1-CG2 3.91Å; F447-I499 HydrophobicContact CE1-CG2 4.05Å; F447-I499 HydrophobicContact CZ-CG2 3.95Å; K464-I499 HydrophobicContact CG-CG2 4.28Å; L468-I499 HydrophobicContact CD2-CB 3.9Å; L468-I499 HydrophobicContact CD2-CD1 4.29Å; L468-I499 HydrophobicContact CD2-CG2 3.86Å; V495-I499 PolarHBondContact O-N 3.13Å; V495-I499 VanDerWaalsContact O-N 3.07Å; C496-I499 PolarHBondContact O-N 2.86Å; I499-F505 HydrophobicContact CD1-CE2 4.48Å
500	D	97.6	Very high	96.4	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	21%	0.21	C	C	.	.			trans	-125.3	56.5	-175.6	-172.5	25.5	0	0	0	113.7	L472 C496 S502 S503 Y504 F505	L472-D500 HydrophobicContact CD1-CB 4.48Å; C496-D500 WeakPolarHBondContact O-CB 3.48Å; C496-D500 PolarHBondContact O-N 2.94Å; D500-S502 PolarHBondContact O-N 2.87Å; D500-S503 PolarHBondContact O-N 2.86Å; D500-S503 PolarHBondContact OD1-N 3.01Å; D500-S503 VanDerWaalsContact OD1-N 3.08Å; D500-S503 VanDerWaalsContact OD2-CA 3.29Å; D500-S503 WeakPolarHBondContact OD2-CA 3.15Å; D500-Y504 VanDerWaalsContact OD1-CD2 3.29Å; D500-Y504 WeakPolarHBondContact OD1-CD2 3.43Å; D500-Y504 PolarHBondContact OD1-N 2.77Å; D500-Y504 PolarHBondContact OD2-N 2.94Å; D500-F505 HydrophobicContact CB-CD2 3.78Å; D500-F505 HydrophobicContact CB-CE2 4.25Å; D500-F505 WeakPolarHBondContact OD2-CD2 3.47Å; D500-F505 PolarHBondContact OD2-N 3.21Å
501	A	92.5	Very high	96.5	Very high	94 Å²	94	37 Å²	37	78%	0.777	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	1.7	171.9	0	0	0	0	0	114.8
502	S	94.7	Very high	96.4	Very high	77 Å²	77	40.3 Å²	40.3	54%	0.538	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-1.5	175.5	-64.4	0	0	0	0	113.8	D500 Y504	D500-S502 PolarHBondContact O-N 2.87Å; S502-Y504 PolarHBondContact O-N 3.45Å
503	S	95.7	Very high	96.4	Very high	51 Å²	51	40.6 Å²	40.6	36%	0.357	22%	0.219	S	C	.	.			trans	51.7	53.3	-175.4	-54.9	0	0	0	0	112.7	N392 D500 R506	N392-S503 PolarHBondContact ND2-OG 3.47Å; D500-S503 PolarHBondContact O-N 2.86Å; D500-S503 PolarHBondContact OD1-N 3.01Å; D500-S503 VanDerWaalsContact OD1-N 3.08Å; D500-S503 VanDerWaalsContact OD2-CA 3.29Å; D500-S503 WeakPolarHBondContact OD2-CA 3.15Å; S503-R506 PolarHBondContact O-NH1 2.9Å
504	Y	97.6	Very high	96.4	Very high	49 Å²	49	39.2 Å²	39.2	19%	0.192	21%	0.212	C	C	.	.			trans	-70.7	-35	166.2	-66.6	-57.2	0	0	0	111.9	L472 K473 P477 D500 S502 R506	L472-Y504 HydrophobicContact CB-CD2 3.73Å; L472-Y504 HydrophobicContact CB-CE2 4.33Å; L472-Y504 HydrophobicContact CB-CG 4.4Å; K473-Y504 HydrophobicContact CB-CE2 4.19Å; P477-Y504 HydrophobicContact CG-CE1 4.33Å; D500-Y504 VanDerWaalsContact OD1-CD2 3.29Å; D500-Y504 WeakPolarHBondContact OD1-CD2 3.43Å; D500-Y504 PolarHBondContact OD1-N 2.77Å; D500-Y504 PolarHBondContact OD2-N 2.94Å; S502-Y504 PolarHBondContact O-N 3.45Å; Y504-R506 PolarHBondContact O-N 3.22Å
505	F	97.9	Very high	96.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.7	168.7	-68.2	-66.6	0	0	0	110.2	L428 L434 L472 C481 M483 C496 I499 D500	L428-F505 HydrophobicContact CB-CE1 4.21Å; L428-F505 HydrophobicContact CD1-CE1 3.84Å; L428-F505 HydrophobicContact CD1-CZ 4.07Å; L428-F505 HydrophobicContact CG-CE1 4.42Å; L434-F505 HydrophobicContact CD1-CZ 3.82Å; L472-F505 HydrophobicContact CD1-CE2 4.3Å; L472-F505 HydrophobicContact CD2-CE2 4.09Å; L472-F505 HydrophobicContact CD2-CZ 3.95Å; C481-F505 HydrophobicContact CB-CD1 4.05Å; C481-F505 HydrophobicContact CB-CE1 4.47Å; M483-F505 HydrophobicContact CB-CD1 3.73Å; M483-F505 HydrophobicContact CB-CE1 3.7Å; M483-F505 HydrophobicContact CB-CG 4.15Å; M483-F505 HydrophobicContact CB-CZ 4.12Å; M483-F505 VanDerWaalsContact N-CD1 3.25Å; C496-F505 VanDerWaalsContact SG-CD2 3.56Å; I499-F505 HydrophobicContact CD1-CE2 4.48Å; D500-F505 HydrophobicContact CB-CD2 3.78Å; D500-F505 HydrophobicContact CB-CE2 4.25Å; D500-F505 WeakPolarHBondContact OD2-CD2 3.47Å; D500-F505 PolarHBondContact OD2-N 3.21Å
506	R	97	Very high	95.9	Very high	66 Å²	66	43.5 Å²	43.5	25%	0.249	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-32.2	174.3	-71.4	-79.4	167.1	-77.4	-1.1	111.6	D419 E480 C481 S503 Y504	D419-R506 IonicContact OD1-CZ 3.99Å; D419-R506 IonicContact OD1-NE 3.58Å; D419-R506 PolarHBondContact OD1-NE 2.95Å; D419-R506 VanDerWaalsContact OD1-NE 3.14Å; D419-R506 IonicContact OD1-NH2 2.78Å; D419-R506 IonicContact OD2-CZ 3.69Å; D419-R506 IonicContact OD2-NE 3.68Å; D419-R506 PolarHBondContact OD2-NE 2.83Å; D419-R506 IonicContact OD2-NH2 2.72Å; D419-R506 PolarHBondContact OD2-NH2 3.19Å; E480-R506 HydrophobicContact CG-CB 4.23Å; E480-R506 HydrophobicContact CG-CG 4.35Å; C481-R506 PolarHBondContact O-N 3.44Å; S503-R506 PolarHBondContact O-NH1 2.9Å; Y504-R506 PolarHBondContact O-N 3.22Å
507	H	97.9	Very high	95.4	Very high	29 Å²	29	46.6 Å²	46.6	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.1	-179.5	-50.2	-89	0	0	0	110.7	L413 E480 V482 M483 R530	L413-H507 HydrophobicContact CD2-CB 3.68Å; L413-H507 PolarHBondContact O-CE1 3.24Å; E480-H507 IonicContact OE1-CD2 2.77Å; E480-H507 IonicContact OE1-NE2 3.69Å; E480-H507 PolarHBondContact OE1-NE2 3.15Å; V482-H507 HydrophobicContact CG1-CB 4.27Å; V482-H507 HydrophobicContact CG2-CB 4.26Å; M483-H507 PolarHBondContact N-O 2.97Å; H507-R530 PolarHBondContact NE2-NH2 3Å
508	R	98	Very high	94.9	Very high	40 Å²	40	48.3 Å²	48.3	15%	0.151	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.5	175.4	-60.1	-179.4	-177.6	174.7	-2.5	109.2	M483 D493 C496 D497 F510	M483-R508 HydrophobicContact CE-CB 4.06Å; M483-R508 HydrophobicContact CE-CG 4.13Å; D493-R508 WeakPolarHBondContact OD1-CD 3.08Å; D493-R508 IonicContact OD1-CZ 3.21Å; D493-R508 IonicContact OD1-NE 2.77Å; D493-R508 IonicContact OD1-NH1 2.71Å; D493-R508 PolarHBondContact OD1-NH1 3.17Å; C496-R508 VanDerWaalsContact SG-CZ 3.59Å; C496-R508 PolarHBondContact SG-NE 3.12Å; D497-R508 IonicContact OD1-CZ 1.94Å; D497-R508 IonicContact OD1-NH1 3.95Å; D497-R508 PolarHBondContact OD1-NH1 3.09Å; D497-R508 IonicContact OD1-NH2 3.98Å; D497-R508 PolarHBondContact OD1-NH2 2.86Å; R508-F510 HydrophobicContact CB-CE2 3.64Å; R508-F510 HydrophobicContact CB-CZ 3.57Å; R508-F510 WeakPolarHBondContact O-CE2 3.5Å
509	L	98.1	Very high	94.3	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.1	176	-62.1	-178.9	0	0	0	109.3	L412 L413 V482 M483 F484 T485 A513 L528	L412-L509 HydrophobicContact CB-CD1 4.2Å; L412-L509 HydrophobicContact CB-CD2 4.27Å; L412-L509 HydrophobicContact CD1-CD1 4.27Å; L413-L509 HydrophobicContact CD2-CD1 3.85Å; L413-L509 HydrophobicContact CD2-CD2 4.46Å; L413-L509 HydrophobicContact CD2-CG 4.24Å; V482-L509 HydrophobicContact CG1-CD1 4.02Å; V482-L509 HydrophobicContact CG1-CG 4.16Å; M483-L509 PolarHBondContact O-N 3.46Å; F484-L509 WeakPolarHBondContact CA-O 3.48Å; F484-L509 HydrophobicContact CB-CB 4.07Å; F484-L509 HydrophobicContact CD1-CB 4.3Å; F484-L509 HydrophobicContact CD1-CD1 3.78Å; F484-L509 HydrophobicContact CD2-CB 3.5Å; F484-L509 VanDerWaalsContact CD2-CB 3.5Å; F484-L509 HydrophobicContact CD2-CD1 4.42Å; F484-L509 HydrophobicContact CE1-CD1 3.95Å; F484-L509 HydrophobicContact CE2-CB 3.95Å; F484-L509 HydrophobicContact CG-CB 3.7Å; F484-L509 HydrophobicContact CG-CD1 4.04Å; F484-L509 HydrophobicContact CZ-CD1 4.33Å; T485-L509 PolarHBondContact N-O 2.67Å; T485-L509 VanDerWaalsContact N-O 3.07Å; L509-A513 HydrophobicContact CB-CB 4Å; L509-A513 HydrophobicContact CD1-CB 4.47Å; L509-A513 HydrophobicContact CD2-CB 4.01Å; L509-A513 HydrophobicContact CG-CB 4.39Å; L509-L528 HydrophobicContact CD1-CD2 3.46Å; L509-L528 VanDerWaalsContact CD1-CD2 3.46Å
510	F	96.9	Very high	93.7	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	28%	0.275	C	S	.	.			trans	-133.7	-173.7	-170.7	-52.8	-87.4	0	0	0	108.9	M483 T485 R489 A492 D493 R508 E512 A513	M483-F510 HydrophobicContact CE-CD1 4.31Å; M483-F510 HydrophobicContact CE-CE1 3.57Å; M483-F510 HydrophobicContact CE-CZ 3.97Å; T485-F510 HydrophobicContact CG2-CD1 4.04Å; T485-F510 CarbonylContact O-C 3.55Å; T485-F510 VanDerWaalsContact O-CA 3.28Å; T485-F510 WeakPolarHBondContact O-CA 3.1Å; R489-F510 HydrophobicContact CB-CB 4.38Å; R489-F510 HydrophobicContact CB-CD1 4.02Å; R489-F510 HydrophobicContact CB-CD2 4.2Å; R489-F510 HydrophobicContact CB-CE1 4.29Å; R489-F510 HydrophobicContact CB-CE2 4.49Å; R489-F510 HydrophobicContact CB-CG 3.94Å; R489-F510 HydrophobicContact CG-CD1 4.39Å; R489-F510 HydrophobicContact CG-CD2 4.17Å; R489-F510 HydrophobicContact CG-CE1 4.21Å; R489-F510 HydrophobicContact CG-CE2 4.01Å; R489-F510 HydrophobicContact CG-CG 4.35Å; R489-F510 HydrophobicContact CG-CZ 4Å; R489-F510 VanDerWaalsContact CZ-CD2 3.44Å; R489-F510 VanDerWaalsContact CZ-CE2 3.41Å; A492-F510 HydrophobicContact CB-CD1 3.76Å; A492-F510 HydrophobicContact CB-CE1 3.72Å; D493-F510 HydrophobicContact CB-CE1 4.01Å; D493-F510 HydrophobicContact CB-CZ 3.85Å; R508-F510 HydrophobicContact CB-CE2 3.64Å; R508-F510 HydrophobicContact CB-CZ 3.57Å; R508-F510 WeakPolarHBondContact O-CE2 3.5Å; F510-E512 WeakPolarHBondContact CB-OE2 3.47Å; F510-E512 PolarHBondContact O-N 3.29Å; F510-A513 WeakPolarHBondContact O-CB 3.37Å; F510-A513 PolarHBondContact O-N 2.94Å
511	R	94.7	Very high	93.4	Very high	44 Å²	44	50.8 Å²	50.8	17%	0.166	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-46.6	-41.3	-179.3	-175.8	164.6	-65.3	155.4	3	114.9	E59 R60 L63 T485 A486 S487 L488 A513 C514 L521	E59-R511 PolarHBondContact O-NH2 3.41Å; R60-R511 VanDerWaalsContact C-NH1 3.33Å; R60-R511 VanDerWaalsContact CB-NH1 3.33Å; R60-R511 PolarHBondContact O-NH1 3.47Å; R60-R511 PolarHBondContact O-NH2 2.89Å; R60-R511 VanDerWaalsContact O-NH2 3.1Å; L63-R511 PolarHBondContact O-NH2 2.86Å; T485-R511 PolarHBondContact O-N 3.02Å; A486-R511 WeakPolarHBondContact O-CB 3.47Å; A486-R511 PolarHBondContact O-NE 3.38Å; A486-R511 PolarHBondContact O-NH2 2.84Å; S487-R511 PolarHBondContact O-N 2.82Å; S487-R511 VanDerWaalsContact O-N 3.12Å; L488-R511 HydrophobicContact CD2-CB 4.44Å; R511-A513 PolarHBondContact O-N 3.2Å; R511-A513 VanDerWaalsContact O-N 3.13Å; R511-C514 VanDerWaalsContact O-CB 3.32Å; R511-C514 WeakPolarHBondContact O-CB 3.45Å; R511-C514 PolarHBondContact O-N 3.32Å; R511-L521 HydrophobicContact CG-CD1 3.99Å; R511-L521 HydrophobicContact CG-CD2 4.23Å
512	E	92.7	Very high	93.5	Very high	70 Å²	70	46.3 Å²	46.3	33%	0.327	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-63.9	-15	-179.1	65.1	-88.2	-162.4	0	0	114.3	R489 F510	R489-E512 IonicContact CZ-OE1 3.71Å; R489-E512 VanDerWaalsContact CZ-OE1 3.26Å; R489-E512 IonicContact NE-OE1 2.73Å; R489-E512 PolarHBondContact NE-OE1 2.85Å; R489-E512 IonicContact NH2-OE1 3.81Å; R489-E512 PolarHBondContact NH2-OE1 2.81Å; F510-E512 WeakPolarHBondContact CB-OE2 3.47Å; F510-E512 PolarHBondContact O-N 3.29Å
513	A	95.8	Very high	93.6	Very high	6 Å²	6	42.7 Å²	42.7	5%	0.05	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-90.7	-16.8	173	0	0	0	0	0	113.5	L412 F484 L509 F510 R511 R527	L412-A513 HydrophobicContact CD1-CB 4.31Å; L412-A513 HydrophobicContact CD2-CB 3.98Å; F484-A513 HydrophobicContact CE2-CB 3.74Å; F484-A513 HydrophobicContact CZ-CB 3.89Å; L509-A513 HydrophobicContact CB-CB 4Å; L509-A513 HydrophobicContact CD1-CB 4.47Å; L509-A513 HydrophobicContact CD2-CB 4.01Å; L509-A513 HydrophobicContact CG-CB 4.39Å; F510-A513 WeakPolarHBondContact O-CB 3.37Å; F510-A513 PolarHBondContact O-N 2.94Å; R511-A513 PolarHBondContact O-N 3.2Å; R511-A513 VanDerWaalsContact O-N 3.13Å; A513-R527 PolarHBondContact O-NH1 3.37Å
514	C	95	Very high	93.6	Very high	14 Å²	14	41.2 Å²	41.2	10%	0.095	21%	0.206	C	C	.	.	S	Bend	trans	-66.1	164.9	175.5	-63	0	0	0	0	112	R511 L521 I522 R527	R511-C514 VanDerWaalsContact O-CB 3.32Å; R511-C514 WeakPolarHBondContact O-CB 3.45Å; R511-C514 PolarHBondContact O-N 3.32Å; C514-L521 HydrophobicContact CB-CB 4.03Å; C514-L521 HydrophobicContact CB-CD2 4.06Å; C514-I522 CarbonylContact C-O 3.57Å; C514-I522 WeakPolarHBondContact CA-O 3.32Å; C514-R527 PolarHBondContact O-NH1 3.43Å
515	V	93.2	Very high	93.6	Very high	39 Å²	39	38.9 Å²	38.9	24%	0.236	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121	167.2	179	0	0	0	0	107.5	H517 I522 D524 F547	V515-H517 PolarHBondContact O-N 3.4Å; V515-I522 PolarHBondContact N-O 3.07Å; V515-I522 PolarHBondContact O-N 2.77Å; V515-D524 HydrophobicContact CG2-CB 3.88Å; V515-F547 HydrophobicContact CG1-CE2 4.4Å
516	D	90.1	Very high	93.5	Very high	109 Å²	109	42.1 Å²	42.1	58%	0.583	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.8	164.8	-175.4	-23.7	0	0	0	108.5	C519 N520	D516-C519 VanDerWaalsContact OD1-CA 3.24Å; D516-C519 WeakPolarHBondContact OD1-CA 3.24Å; D516-C519 PolarHBondContact OD1-N 2.88Å; D516-N520 WeakPolarHBondContact CA-O 3.14Å
517	H	86.7	Confident	93.5	Very high	65 Å²	65	42 Å²	42	30%	0.301	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	110.7	172.5	-173	82.9	0	0	0	109.3	V515 C519 N520 I522 F547	V515-H517 PolarHBondContact O-N 3.4Å; H517-C519 PolarHBondContact O-N 2.86Å; H517-N520 PolarHBondContact N-O 3.31Å; H517-N520 WeakPolarHBondContact O-CB 3.31Å; H517-N520 PolarHBondContact O-N 2.9Å; H517-N520 PolarHBondContact O-ND2 2.89Å; H517-I522 HydrophobicContact CB-CD1 3.41Å; H517-I522 VanDerWaalsContact CB-CD1 3.41Å; H517-I522 HydrophobicContact CB-CG1 4.14Å; H517-F547 HydrophobicContact CB-CZ 4.13Å; H517-F547 AromaticContact CG-CZ 3.87Å; H517-F547 AromaticContact ND1-CZ 3.78Å
518	Q	86.6	Confident	93.5	Very high	130 Å²	130	40.6 Å²	40.6	61%	0.607	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	39.1	-178.7	-52.2	178.9	0.1	0	0	112.3	N520	Q518-N520 PolarHBondContact O-N 3.29Å; Q518-N520 PolarHBondContact O-ND2 3.01Å
519	C	83.5	Confident	93.4	Very high	108 Å²	108	39.8 Å²	39.8	73%	0.73	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	14.6	-175.4	-53.8	0	0	0	0	115.1	D516 H517	D516-C519 VanDerWaalsContact OD1-CA 3.24Å; D516-C519 WeakPolarHBondContact OD1-CA 3.24Å; D516-C519 PolarHBondContact OD1-N 2.88Å; H517-C519 PolarHBondContact O-N 2.86Å
520	N	84.8	Confident	93.3	Very high	37 Å²	37	41.2 Å²	41.2	20%	0.198	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.6	171.5	-54.4	-84	0	0	0	110	D516 H517 Q518 I522 I543	D516-N520 WeakPolarHBondContact CA-O 3.14Å; H517-N520 PolarHBondContact N-O 3.31Å; H517-N520 WeakPolarHBondContact O-CB 3.31Å; H517-N520 PolarHBondContact O-N 2.9Å; H517-N520 PolarHBondContact O-ND2 2.89Å; Q518-N520 PolarHBondContact O-N 3.29Å; Q518-N520 PolarHBondContact O-ND2 3.01Å; N520-I522 PolarHBondContact O-N 2.72Å; N520-I543 HydrophobicContact CB-CG1 3.71Å; N520-I543 HydrophobicContact CB-CG2 4.31Å
521	L	91.2	Very high	93.3	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.152	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	103.2	179.8	-65.5	171	0	0	0	110.3	A486 R511 C514	A486-L521 HydrophobicContact CB-CB 4.23Å; A486-L521 HydrophobicContact CB-CD1 4Å; R511-L521 HydrophobicContact CG-CD1 3.99Å; R511-L521 HydrophobicContact CG-CD2 4.23Å; C514-L521 HydrophobicContact CB-CB 4.03Å; C514-L521 HydrophobicContact CB-CD2 4.06Å
522	I	94.6	Very high	93.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.3	-178.7	-56.6	178.4	0	0	0	110.5	C514 V515 H517 N520 D524 L546 F547	C514-I522 CarbonylContact C-O 3.57Å; C514-I522 WeakPolarHBondContact CA-O 3.32Å; V515-I522 PolarHBondContact N-O 3.07Å; V515-I522 PolarHBondContact O-N 2.77Å; H517-I522 HydrophobicContact CB-CD1 3.41Å; H517-I522 VanDerWaalsContact CB-CD1 3.41Å; H517-I522 HydrophobicContact CB-CG1 4.14Å; N520-I522 PolarHBondContact O-N 2.72Å; I522-D524 VanDerWaalsContact C-N 3.3Å; I522-D524 PolarHBondContact O-N 3.44Å; I522-L546 HydrophobicContact CD1-CB 3.94Å; I522-L546 HydrophobicContact CD1-CD2 3.7Å; I522-L546 HydrophobicContact CD1-CG 4.41Å; I522-L546 HydrophobicContact CG1-CB 4.38Å; I522-F547 HydrophobicContact CB-CE2 4.49Å; I522-F547 HydrophobicContact CD1-CD1 3.86Å; I522-F547 HydrophobicContact CD1-CD2 4.48Å; I522-F547 HydrophobicContact CD1-CE1 3.38Å; I522-F547 HydrophobicContact CD1-CE2 4.08Å; I522-F547 HydrophobicContact CD1-CG 4.38Å; I522-F547 HydrophobicContact CD1-CZ 3.51Å; I522-F547 HydrophobicContact CG2-CB 4.38Å; I522-F547 HydrophobicContact CG2-CD1 4.39Å; I522-F547 HydrophobicContact CG2-CD2 3.79Å; I522-F547 HydrophobicContact CG2-CE2 4.13Å; I522-F547 HydrophobicContact CG2-CG 3.93Å
523	K	97.2	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.			trans	-88.3	68.4	175.3	-58.3	177.9	-168.1	174.8	0	109.1	D429 F484 L525 I537 D539 S544	D429-K523 IonicContact OD1-NZ 3.26Å; D429-K523 PolarHBondContact OD1-NZ 3.4Å; D429-K523 IonicContact OD2-NZ 3.7Å; D429-K523 PolarHBondContact OD2-NZ 3.48Å; F484-K523 HydrophobicContact CB-CD 4.41Å; F484-K523 HydrophobicContact CD1-CB 3.83Å; F484-K523 HydrophobicContact CD1-CD 4.4Å; F484-K523 HydrophobicContact CD1-CG 4.18Å; F484-K523 HydrophobicContact CD2-CD 4.19Å; F484-K523 HydrophobicContact CD2-CG 4.06Å; F484-K523 HydrophobicContact CE1-CB 3.63Å; F484-K523 HydrophobicContact CE1-CG 4.14Å; F484-K523 HydrophobicContact CE2-CB 4.4Å; F484-K523 HydrophobicContact CE2-CG 4.01Å; F484-K523 HydrophobicContact CG-CB 4.31Å; F484-K523 HydrophobicContact CG-CD 4.07Å; F484-K523 HydrophobicContact CG-CG 4.15Å; F484-K523 HydrophobicContact CZ-CB 3.94Å; F484-K523 HydrophobicContact CZ-CG 4.06Å; F484-K523 WeakPolarHBondContact O-CD 3.25Å; F484-K523 VanDerWaalsContact O-CE 3.24Å; F484-K523 WeakPolarHBondContact O-CE 3.35Å; F484-K523 PolarHBondContact O-NZ 3.03Å; K523-L525 WeakPolarHBondContact O-CD2 3.41Å; K523-L525 PolarHBondContact O-N 2.86Å; K523-I537 HydrophobicContact CB-CD1 4.14Å; K523-I537 HydrophobicContact CD-CD1 4.12Å; K523-D539 WeakPolarHBondContact CD-OD2 3.44Å; K523-D539 WeakPolarHBondContact CE-OD2 3.35Å; K523-D539 IonicContact NZ-OD2 2.68Å; K523-D539 PolarHBondContact NZ-OD2 3.1Å; K523-S544 WeakPolarHBondContact CB-O 3.45Å; K523-S544 PolarHBondContact N-O 2.97Å
524	D	96.5	Very high	93.7	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.112	27%	0.268	C	S	.	.			trans	-60	104.1	-175.7	178.4	7	0	0	0	111.8	V515 I522 S526 R527 F547 Q548	V515-D524 HydrophobicContact CG2-CB 3.88Å; I522-D524 VanDerWaalsContact C-N 3.3Å; I522-D524 PolarHBondContact O-N 3.44Å; D524-S526 VanDerWaalsContact CG-OG 3.24Å; D524-S526 PolarHBondContact O-N 2.95Å; D524-S526 VanDerWaalsContact O-N 3.17Å; D524-S526 WeakPolarHBondContact OD1-CB 3.38Å; D524-S526 PolarHBondContact OD1-N 2.92Å; D524-S526 PolarHBondContact OD1-OG 2.85Å; D524-S526 PolarHBondContact OD2-OG 3.23Å; D524-R527 HydrophobicContact CB-CG 4.31Å; D524-R527 PolarHBondContact O-N 3.34Å; D524-F547 HydrophobicContact CB-CD2 3.97Å; D524-F547 HydrophobicContact CB-CE2 4.47Å; D524-Q548 PolarHBondContact OD1-NE2 3.17Å
525	L	97.6	Very high	93.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-65.9	-19.7	-174.9	-54.2	-177	0	0	0	112.7	V427 K523 R527 L528 I535 I537 Q548 N551	V427-L525 HydrophobicContact CG2-CD2 4.12Å; K523-L525 WeakPolarHBondContact O-CD2 3.41Å; K523-L525 PolarHBondContact O-N 2.86Å; L525-R527 PolarHBondContact O-N 2.79Å; L525-L528 HydrophobicContact CB-CD1 4.26Å; L525-L528 HydrophobicContact CD2-CD1 3.81Å; L525-L528 WeakPolarHBondContact O-CB 3.34Å; L525-L528 PolarHBondContact O-N 2.98Å; L525-I535 HydrophobicContact CB-CD1 4.18Å; L525-I535 HydrophobicContact CB-CG2 4.35Å; L525-I535 HydrophobicContact CD1-CG2 3.98Å; L525-I535 HydrophobicContact CD2-CG2 4.1Å; L525-I535 HydrophobicContact CG-CG2 4.38Å; L525-I535 WeakPolarHBondContact O-CD1 3.33Å; L525-I537 HydrophobicContact CD1-CB 4.35Å; L525-I537 HydrophobicContact CD1-CG2 4.03Å; L525-I537 HydrophobicContact CD2-CB 4.27Å; L525-I537 HydrophobicContact CD2-CD1 4.21Å; L525-Q548 HydrophobicContact CB-CB 4.49Å; L525-Q548 HydrophobicContact CB-CG 4.11Å; L525-Q548 HydrophobicContact CD1-CB 3.81Å; L525-Q548 HydrophobicContact CD1-CG 4.33Å; L525-Q548 HydrophobicContact CG-CB 4.21Å; L525-Q548 HydrophobicContact CG-CG 4.35Å; L525-N551 HydrophobicContact CD1-CB 3.87Å
526	S	96.1	Very high	94.1	Very high	70 Å²	70	46.9 Å²	46.9	49%	0.49	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.7	178.6	74.3	0	0	0	0	113.3	D524 L528	D524-S526 VanDerWaalsContact CG-OG 3.24Å; D524-S526 PolarHBondContact O-N 2.95Å; D524-S526 VanDerWaalsContact O-N 3.17Å; D524-S526 WeakPolarHBondContact OD1-CB 3.38Å; D524-S526 PolarHBondContact OD1-N 2.92Å; D524-S526 PolarHBondContact OD1-OG 2.85Å; D524-S526 PolarHBondContact OD2-OG 3.23Å; S526-L528 VanDerWaalsContact C-N 3.34Å
527	R	96.3	Very high	94.5	Very high	62 Å²	62	41.7 Å²	41.7	23%	0.234	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-85	-1.9	179.3	-61.6	178.1	65.9	-158.4	-0.5	114	L412 A513 C514 D524 L525 G529	L412-R527 WeakPolarHBondContact CB-O 3.41Å; L412-R527 HydrophobicContact CD1-CB 3.61Å; L412-R527 HydrophobicContact CG-CB 4.1Å; L412-R527 WeakPolarHBondContact CG-O 3.41Å; L412-R527 PolarHBondContact N-O 3.12Å; A513-R527 PolarHBondContact O-NH1 3.37Å; C514-R527 PolarHBondContact O-NH1 3.43Å; D524-R527 HydrophobicContact CB-CG 4.31Å; D524-R527 PolarHBondContact O-N 3.34Å; L525-R527 PolarHBondContact O-N 2.79Å; R527-G529 PolarHBondContact O-N 3.22Å
528	L	97.4	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-82.1	-6.1	-171.1	-66.1	175.5	0	0	0	114.9	L412 L413 V427 F484 L509 L525 S526 R530 I535	L412-L528 HydrophobicContact CB-CD2 4.21Å; L412-L528 HydrophobicContact CD1-CD2 4.04Å; L413-L528 WeakPolarHBondContact CB-O 3.45Å; L413-L528 HydrophobicContact CD1-CB 3.96Å; L413-L528 HydrophobicContact CD1-CD2 4.19Å; L413-L528 WeakPolarHBondContact CD1-O 3.24Å; L413-L528 HydrophobicContact CD2-CD2 4.14Å; L413-L528 HydrophobicContact CG-CB 4.22Å; L413-L528 HydrophobicContact CG-CD2 4.03Å; L413-L528 VanDerWaalsContact CG-O 3.25Å; L413-L528 WeakPolarHBondContact CG-O 3.3Å; V427-L528 HydrophobicContact CG2-CD1 3.71Å; F484-L528 HydrophobicContact CD1-CD2 4.41Å; F484-L528 HydrophobicContact CE1-CD2 4.3Å; L509-L528 HydrophobicContact CD1-CD2 3.46Å; L509-L528 VanDerWaalsContact CD1-CD2 3.46Å; L525-L528 HydrophobicContact CB-CD1 4.26Å; L525-L528 HydrophobicContact CD2-CD1 3.81Å; L525-L528 WeakPolarHBondContact O-CB 3.34Å; L525-L528 PolarHBondContact O-N 2.98Å; S526-L528 VanDerWaalsContact C-N 3.34Å; L528-R530 VanDerWaalsContact C-N 3.28Å; L528-R530 PolarHBondContact O-N 3.47Å; L528-I535 HydrophobicContact CB-CD1 4.27Å; L528-I535 HydrophobicContact CD1-CD1 4.15Å; L528-I535 HydrophobicContact CD1-CG2 4.12Å
529	G	96.1	Very high	95.6	Very high	24 Å²	24	32.4 Å²	32.4	25%	0.247	18%	0.181	C	C	.	.	S	Bend	trans	63.4	33.7	-176	0	0	0	0	0	113.8	D411 R527	D411-G529 WeakPolarHBondContact OD1-CA 3.35Å; D411-G529 PolarHBondContact OD1-N 3.3Å; R527-G529 PolarHBondContact O-N 3.22Å
530	R	96.9	Very high	96.2	Very high	36 Å²	36	28.1 Å²	28.1	14%	0.136	15%	0.151	C	C	.	.	S	Bend	trans	-134.3	154.3	177.4	-56.3	-64.5	179	-94	1.9	108.5	L413 G414 C425 E480 H507 L528 V532 I535	L413-R530 HydrophobicContact CD1-CG 3.98Å; L413-R530 PolarHBondContact O-NH2 2.75Å; G414-R530 PolarHBondContact O-NH1 2.77Å; C425-R530 HydrophobicContact CB-CB 4.5Å; C425-R530 HydrophobicContact CB-CG 4.27Å; E480-R530 IonicContact OE1-CZ 3.79Å; E480-R530 IonicContact OE1-NE 2.81Å; E480-R530 PolarHBondContact OE1-NE 3.2Å; E480-R530 IonicContact OE1-NH2 3.4Å; E480-R530 PolarHBondContact OE1-NH2 3.06Å; E480-R530 IonicContact OE2-CZ 2.69Å; E480-R530 IonicContact OE2-NE 3.01Å; E480-R530 PolarHBondContact OE2-NE 2.7Å; E480-R530 IonicContact OE2-NH2 3.26Å; H507-R530 PolarHBondContact NE2-NH2 3Å; L528-R530 VanDerWaalsContact C-N 3.28Å; L528-R530 PolarHBondContact O-N 3.47Å; R530-V532 PolarHBondContact O-N 3.4Å; R530-I535 HydrophobicContact CB-CD1 3.95Å; R530-I535 HydrophobicContact CB-CG1 3.94Å
531	D	96.4	Very high	96.6	Very high	94 Å²	94	26.6 Å²	26.6	50%	0.503	14%	0.143	S	C	.	.			trans	-63.8	118.5	173.4	173.4	11.2	0	0	0	109.7	E533 Q534 I535	D531-E533 PolarHBondContact O-N 3.33Å; D531-E533 PolarHBondContact OD1-N 3.41Å; D531-Q534 HydrophobicContact CB-CB 4.44Å; D531-Q534 HydrophobicContact CB-CG 4.19Å; D531-Q534 CarbonylContact O-C 3.6Å; D531-Q534 WeakPolarHBondContact O-CA 3.38Å; D531-Q534 WeakPolarHBondContact O-CB 3.38Å; D531-Q534 PolarHBondContact O-N 3.13Å; D531-I535 WeakPolarHBondContact O-CG1 3.5Å; D531-I535 PolarHBondContact O-N 2.89Å
532	V	96.9	Very high	96.6	Very high	48 Å²	48	26.2 Å²	26.2	29%	0.291	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25.6	-178.1	-177.7	0	0	0	0	112	R530 Q534 I535 Q548 N551	R530-V532 PolarHBondContact O-N 3.4Å; V532-Q534 PolarHBondContact O-N 3.17Å; V532-I535 HydrophobicContact CG2-CD1 4.17Å; V532-I535 PolarHBondContact O-N 3.25Å; V532-Q548 HydrophobicContact CG1-CG 4.36Å; V532-N551 PolarHBondContact O-ND2 2.92Å
533	E	96.8	Very high	96.4	Very high	103 Å²	103	26.9 Å²	26.9	48%	0.481	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-66.4	-13.8	171.2	-67.9	-167.4	-177.4	0	0	113.1	D531 T582 V583	D531-E533 PolarHBondContact O-N 3.33Å; D531-E533 PolarHBondContact OD1-N 3.41Å; E533-T582 HydrophobicContact CB-CG2 4.18Å; E533-T582 CarbonylContact O-C 3.57Å; E533-T582 WeakPolarHBondContact O-CA 3.29Å; E533-T582 WeakPolarHBondContact OE2-CG2 3.37Å; E533-V583 PolarHBondContact O-N 3.39Å
534	Q	98	Very high	96.2	Very high	48 Å²	48	26.9 Å²	26.9	22%	0.224	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-114.8	8	-179.2	-53.2	-58	-41.6	0	0	113.8	K424 C425 D531 V532 R581	K424-Q534 WeakPolarHBondContact CA-O 3.4Å; K424-Q534 WeakPolarHBondContact CB-O 3.49Å; K424-Q534 VanDerWaalsContact CE-OE1 3.24Å; K424-Q534 HydrophobicContact CG-CB 4.23Å; C425-Q534 PolarHBondContact N-O 2.96Å; D531-Q534 HydrophobicContact CB-CB 4.44Å; D531-Q534 HydrophobicContact CB-CG 4.19Å; D531-Q534 CarbonylContact O-C 3.6Å; D531-Q534 WeakPolarHBondContact O-CA 3.38Å; D531-Q534 WeakPolarHBondContact O-CB 3.38Å; D531-Q534 PolarHBondContact O-N 3.13Å; V532-Q534 PolarHBondContact O-N 3.17Å; Q534-R581 PolarHBondContact NE2-O 2.88Å
535	I	98.5	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.9	174.4	-51.2	168.9	0	0	0	109.7	C425 V427 L525 L528 R530 D531 V532 N551	C425-I535 HydrophobicContact CB-CB 4.46Å; C425-I535 HydrophobicContact CB-CG1 4.1Å; C425-I535 HydrophobicContact CB-CG2 4.31Å; C425-I535 WeakPolarHBondContact O-CA 3.42Å; V427-I535 HydrophobicContact CG2-CG2 3.88Å; L525-I535 HydrophobicContact CB-CD1 4.18Å; L525-I535 HydrophobicContact CB-CG2 4.35Å; L525-I535 HydrophobicContact CD1-CG2 3.98Å; L525-I535 HydrophobicContact CD2-CG2 4.1Å; L525-I535 HydrophobicContact CG-CG2 4.38Å; L525-I535 WeakPolarHBondContact O-CD1 3.33Å; L528-I535 HydrophobicContact CB-CD1 4.27Å; L528-I535 HydrophobicContact CD1-CD1 4.15Å; L528-I535 HydrophobicContact CD1-CG2 4.12Å; R530-I535 HydrophobicContact CB-CD1 3.95Å; R530-I535 HydrophobicContact CB-CG1 3.94Å; D531-I535 WeakPolarHBondContact O-CG1 3.5Å; D531-I535 PolarHBondContact O-N 2.89Å; V532-I535 HydrophobicContact CG2-CD1 4.17Å; V532-I535 PolarHBondContact O-N 3.25Å; I535-N551 PolarHBondContact O-ND2 3.06Å
536	C	98.5	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.6	167.2	-171.3	0	0	0	0	109.2	C425 L426 V427 N551 L577 V583	C425-C536 PolarHBondContact O-N 2.94Å; L426-C536 HydrophobicContact CD1-CB 3.98Å; V427-C536 PolarHBondContact N-O 2.81Å; C536-N551 WeakPolarHBondContact CA-O 3.43Å; C536-L577 HydrophobicContact CB-CD2 3.86Å; C536-V583 HydrophobicContact CB-CG1 3.7Å; C536-V583 HydrophobicContact CB-CG2 4.05Å
537	I	98.7	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.7	171.2	-175.4	164.5	0	0	0	110.9	V427 K523 L525 D539 F545 N551 A552 L553	V427-I537 HydrophobicContact CB-CB 4.09Å; V427-I537 HydrophobicContact CB-CD1 4.41Å; V427-I537 HydrophobicContact CB-CG1 4.02Å; V427-I537 HydrophobicContact CG1-CD1 3.89Å; V427-I537 HydrophobicContact CG1-CG1 3.94Å; V427-I537 CarbonylContact O-C 3.58Å; V427-I537 WeakPolarHBondContact O-CA 3.45Å; K523-I537 HydrophobicContact CB-CD1 4.14Å; K523-I537 HydrophobicContact CD-CD1 4.12Å; L525-I537 HydrophobicContact CD1-CB 4.35Å; L525-I537 HydrophobicContact CD1-CG2 4.03Å; L525-I537 HydrophobicContact CD2-CB 4.27Å; L525-I537 HydrophobicContact CD2-CD1 4.21Å; I537-D539 HydrophobicContact CD1-CB 4.23Å; I537-D539 HydrophobicContact CG1-CB 3.99Å; I537-F545 HydrophobicContact CD1-CB 4.45Å; I537-F545 HydrophobicContact CG2-CB 3.87Å; I537-F545 HydrophobicContact CG2-CD1 4.25Å; I537-F545 HydrophobicContact CG2-CG 4.32Å; I537-N551 PolarHBondContact N-O 3.15Å; I537-A552 HydrophobicContact CG2-CB 3.78Å; I537-L553 PolarHBondContact O-N 2.86Å
538	V	98.5	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.8	170.9	-171	0	0	0	0	107.7	L426 V427 L428 D429 L553 I555	L426-V538 HydrophobicContact CD1-CG2 3.91Å; V427-V538 PolarHBondContact O-N 3.19Å; L428-V538 HydrophobicContact CD2-CB 3.74Å; L428-V538 HydrophobicContact CD2-CG2 3.84Å; D429-V538 PolarHBondContact N-O 3.46Å; V538-L553 WeakPolarHBondContact CA-O 3.13Å; V538-L553 HydrophobicContact CG2-CB 4.28Å; V538-L553 HydrophobicContact CG2-CD1 4.3Å; V538-I555 HydrophobicContact CG1-CB 3.91Å; V538-I555 HydrophobicContact CG1-CD1 4.22Å; V538-I555 HydrophobicContact CG1-CG2 4.17Å
539	D	98.1	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	140.5	-167.6	-170.2	-56.9	0	0	0	107.8	D429 K523 I537 S541 S544 F545 L553 Q554 I555	D429-D539 HydrophobicContact CB-CB 4.18Å; K523-D539 WeakPolarHBondContact CD-OD2 3.44Å; K523-D539 WeakPolarHBondContact CE-OD2 3.35Å; K523-D539 IonicContact NZ-OD2 2.68Å; K523-D539 PolarHBondContact NZ-OD2 3.1Å; I537-D539 HydrophobicContact CD1-CB 4.23Å; I537-D539 HydrophobicContact CG1-CB 3.99Å; D539-S541 PolarHBondContact OD1-N 2.88Å; D539-S544 VanDerWaalsContact CG-OG 3.31Å; D539-S544 WeakPolarHBondContact OD1-CB 3.26Å; D539-S544 PolarHBondContact OD1-OG 2.77Å; D539-S544 WeakPolarHBondContact OD2-CB 3.44Å; D539-S544 PolarHBondContact OD2-OG 3.02Å; D539-F545 HydrophobicContact CB-CD1 3.97Å; D539-F545 HydrophobicContact CB-CE1 4.12Å; D539-L553 PolarHBondContact N-O 3.47Å; D539-Q554 VanDerWaalsContact O-CA 3.29Å; D539-Q554 WeakPolarHBondContact O-CA 3.48Å; D539-I555 PolarHBondContact O-N 3.2Å
540	N	95.6	Very high	95.6	Very high	18 Å²	18	27 Å²	27	10%	0.096	14%	0.138	C	C	.	.	S	Bend	trans	-86.3	-18.5	-177.2	61.2	-76	0	0	0	113.3	D431 E432 T433 P542 Q554 I555 S557	D431-N540 PolarHBondContact O-OD1 2.7Å; E432-N540 WeakPolarHBondContact CB-ND2 3.24Å; T433-N540 PolarHBondContact OG1-N 3.42Å; T433-N540 PolarHBondContact OG1-OD1 3.17Å; N540-P542 WeakPolarHBondContact O-CD 3.39Å; N540-Q554 PolarHBondContact O-NE2 3.14Å; N540-Q554 VanDerWaalsContact O-NE2 3.1Å; N540-I555 VanDerWaalsContact CA-O 3.31Å; N540-I555 WeakPolarHBondContact CA-O 3.29Å; N540-I555 HydrophobicContact CB-CG2 3.86Å; N540-I555 WeakPolarHBondContact CB-O 3.26Å; N540-S557 PolarHBondContact ND2-OG 2.83Å
541	S	92.5	Very high	95.6	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.042	13%	0.133	C	C	.	.			trans	-98.4	116	-177.4	-177.8	0	0	0	0	111.5	D539 I543 S544	D539-S541 PolarHBondContact OD1-N 2.88Å; S541-I543 PolarHBondContact O-N 3.4Å; S541-I543 VanDerWaalsContact O-N 3.11Å; S541-S544 WeakPolarHBondContact CB-OG 3.41Å; S541-S544 WeakPolarHBondContact O-CB 2.99Å; S541-S544 PolarHBondContact O-N 3.16Å; S541-S544 VanDerWaalsContact O-N 3.12Å; S541-S544 PolarHBondContact O-OG 3.17Å
542	P	91.4	Very high	95.7	Very high	21 Å²	21	21 Å²	21	14%	0.136	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-60.7	-24.3	179.9	-25.2	35.4	0	0	0	114.9	N540 S544 F545 Q554 W606	N540-P542 WeakPolarHBondContact O-CD 3.39Å; P542-S544 VanDerWaalsContact C-N 3.31Å; P542-S544 PolarHBondContact O-N 3.12Å; P542-F545 HydrophobicContact CB-CE2 4.25Å; P542-F545 HydrophobicContact CB-CZ 4.21Å; P542-F545 WeakPolarHBondContact O-CD2 3.48Å; P542-Q554 HydrophobicContact CG-CG 4.45Å; P542-W606 VanDerWaalsContact C-CH2 3.41Å; P542-W606 HydrophobicContact CB-CD2 4.06Å; P542-W606 VanDerWaalsContact CB-CE2 3.43Å; P542-W606 HydrophobicContact CB-CE3 4.31Å; P542-W606 HydrophobicContact CB-CH2 3.52Å; P542-W606 HydrophobicContact CB-CZ2 3.17Å; P542-W606 HydrophobicContact CB-CZ3 4.06Å; P542-W606 WeakPolarHBondContact O-CH2 3.3Å; P542-W606 VanDerWaalsContact O-CZ2 3.27Å; P542-W606 WeakPolarHBondContact O-CZ2 3.5Å
543	I	90.4	Very high	95.7	Very high	13 Å²	13	18.7 Å²	18.7	7%	0.067	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-69.4	-30.9	179.7	-137.4	69.9	0	0	0	111.8	N520 S541 F545 L546 W606 F610	N520-I543 HydrophobicContact CB-CG1 3.71Å; N520-I543 HydrophobicContact CB-CG2 4.31Å; S541-I543 PolarHBondContact O-N 3.4Å; S541-I543 VanDerWaalsContact O-N 3.11Å; I543-F545 PolarHBondContact O-N 3.27Å; I543-L546 HydrophobicContact CD1-CD1 4.33Å; I543-L546 WeakPolarHBondContact O-CB 3.15Å; I543-L546 PolarHBondContact O-N 3.39Å; I543-W606 HydrophobicContact CD1-CH2 4.09Å; I543-W606 HydrophobicContact CD1-CZ3 3.77Å; I543-F610 HydrophobicContact CD1-CD1 4.32Å; I543-F610 HydrophobicContact CD1-CE1 4.17Å; I543-F610 HydrophobicContact CD1-CZ 4.48Å
544	S	93.5	Very high	95.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.3	-178.3	-57.3	0	0	0	0	112.6	K523 D539 S541 P542	K523-S544 WeakPolarHBondContact CB-O 3.45Å; K523-S544 PolarHBondContact N-O 2.97Å; D539-S544 VanDerWaalsContact CG-OG 3.31Å; D539-S544 WeakPolarHBondContact OD1-CB 3.26Å; D539-S544 PolarHBondContact OD1-OG 2.77Å; D539-S544 WeakPolarHBondContact OD2-CB 3.44Å; D539-S544 PolarHBondContact OD2-OG 3.02Å; S541-S544 WeakPolarHBondContact CB-OG 3.41Å; S541-S544 WeakPolarHBondContact O-CB 2.99Å; S541-S544 PolarHBondContact O-N 3.16Å; S541-S544 VanDerWaalsContact O-N 3.12Å; S541-S544 PolarHBondContact O-OG 3.17Å; P542-S544 VanDerWaalsContact C-N 3.31Å; P542-S544 PolarHBondContact O-N 3.12Å
545	F	94.6	Very high	95.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-113.9	23	-176.5	51.6	-110.4	0	0	0	113.6	I537 D539 P542 I543 F547 Q548 P549 A552 Q554 Q600	I537-F545 HydrophobicContact CD1-CB 4.45Å; I537-F545 HydrophobicContact CG2-CB 3.87Å; I537-F545 HydrophobicContact CG2-CD1 4.25Å; I537-F545 HydrophobicContact CG2-CG 4.32Å; D539-F545 HydrophobicContact CB-CD1 3.97Å; D539-F545 HydrophobicContact CB-CE1 4.12Å; P542-F545 HydrophobicContact CB-CE2 4.25Å; P542-F545 HydrophobicContact CB-CZ 4.21Å; P542-F545 WeakPolarHBondContact O-CD2 3.48Å; I543-F545 PolarHBondContact O-N 3.27Å; F545-F547 PolarHBondContact O-N 1.94Å; F545-Q548 CarbonylContact O-C 3.59Å; F545-Q548 PolarHBondContact O-N 2.77Å; F545-P549 HydrophobicContact CD2-CB 4.45Å; F545-A552 HydrophobicContact CB-CB 4.09Å; F545-A552 HydrophobicContact CD1-CB 3.61Å; F545-A552 HydrophobicContact CD2-CB 3.42Å; F545-A552 VanDerWaalsContact CD2-CB 3.42Å; F545-A552 HydrophobicContact CE1-CB 3.77Å; F545-A552 HydrophobicContact CE2-CB 3.6Å; F545-A552 HydrophobicContact CG-CB 3.42Å; F545-A552 VanDerWaalsContact CG-CB 3.42Å; F545-A552 HydrophobicContact CZ-CB 3.74Å; F545-Q554 HydrophobicContact CE1-CB 4.45Å; F545-Q554 HydrophobicContact CZ-CB 4Å; F545-Q554 HydrophobicContact CZ-CG 4.25Å; F545-Q600 HydrophobicContact CE2-CG 3.79Å; F545-Q600 HydrophobicContact CZ-CG 4.01Å
546	L	92.4	Very high	95.4	Very high	31 Å²	31	17 Å²	17	16%	0.162	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-32.8	-176.3	-172.5	79	0	0	0	114	I522 I543 W606 L607	I522-L546 HydrophobicContact CD1-CB 3.94Å; I522-L546 HydrophobicContact CD1-CD2 3.7Å; I522-L546 HydrophobicContact CD1-CG 4.41Å; I522-L546 HydrophobicContact CG1-CB 4.38Å; I543-L546 HydrophobicContact CD1-CD1 4.33Å; I543-L546 WeakPolarHBondContact O-CB 3.15Å; I543-L546 PolarHBondContact O-N 3.39Å; L546-W606 HydrophobicContact CD1-CH2 3.55Å; L546-W606 HydrophobicContact CD1-CZ2 4.35Å; L546-W606 HydrophobicContact CD1-CZ3 4.08Å; L546-L607 HydrophobicContact CD1-CD1 3.66Å; L546-L607 HydrophobicContact CD1-CG 4.01Å; L546-L607 HydrophobicContact CG-CD1 4.27Å
547	F	94.2	Very high	95.3	Very high	84 Å²	84	19.3 Å²	19.3	37%	0.368	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-19.9	179.1	-64.9	-12.2	0	0	0	114.7	V515 H517 I522 D524 F545	V515-F547 HydrophobicContact CG1-CE2 4.4Å; H517-F547 HydrophobicContact CB-CZ 4.13Å; H517-F547 AromaticContact CG-CZ 3.87Å; H517-F547 AromaticContact ND1-CZ 3.78Å; I522-F547 HydrophobicContact CB-CE2 4.49Å; I522-F547 HydrophobicContact CD1-CD1 3.86Å; I522-F547 HydrophobicContact CD1-CD2 4.48Å; I522-F547 HydrophobicContact CD1-CE1 3.38Å; I522-F547 HydrophobicContact CD1-CE2 4.08Å; I522-F547 HydrophobicContact CD1-CG 4.38Å; I522-F547 HydrophobicContact CD1-CZ 3.51Å; I522-F547 HydrophobicContact CG2-CB 4.38Å; I522-F547 HydrophobicContact CG2-CD1 4.39Å; I522-F547 HydrophobicContact CG2-CD2 3.79Å; I522-F547 HydrophobicContact CG2-CE2 4.13Å; I522-F547 HydrophobicContact CG2-CG 3.93Å; D524-F547 HydrophobicContact CB-CD2 3.97Å; D524-F547 HydrophobicContact CB-CE2 4.47Å; F545-F547 PolarHBondContact O-N 1.94Å
548	Q	95.6	Very high	95.2	Very high	22 Å²	22	19.6 Å²	19.6	10%	0.103	11%	0.108	C	C	.	.			trans	-137.3	53.6	-179.2	-62.7	90.5	15.6	0	0	113	D524 L525 V532 F545 S550 N551	D524-Q548 PolarHBondContact OD1-NE2 3.17Å; L525-Q548 HydrophobicContact CB-CB 4.49Å; L525-Q548 HydrophobicContact CB-CG 4.11Å; L525-Q548 HydrophobicContact CD1-CB 3.81Å; L525-Q548 HydrophobicContact CD1-CG 4.33Å; L525-Q548 HydrophobicContact CG-CB 4.21Å; L525-Q548 HydrophobicContact CG-CG 4.35Å; V532-Q548 HydrophobicContact CG1-CG 4.36Å; F545-Q548 CarbonylContact O-C 3.59Å; F545-Q548 PolarHBondContact O-N 2.77Å; Q548-S550 PolarHBondContact O-N 3.21Å; Q548-N551 HydrophobicContact CB-CB 4.36Å; Q548-N551 WeakPolarHBondContact O-CB 3.27Å; Q548-N551 PolarHBondContact O-N 2.55Å
549	P	95.1	Very high	94.9	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.078	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.2	-29.9	-177	25.4	-35	0	0	0	112.9	F545 N551 A552 Q600 P604 L607	F545-P549 HydrophobicContact CD2-CB 4.45Å; P549-N551 PolarHBondContact O-N 2.66Å; P549-A552 WeakPolarHBondContact O-CB 3.08Å; P549-A552 PolarHBondContact O-N 3.09Å; P549-Q600 HydrophobicContact CB-CB 4.33Å; P549-Q600 WeakPolarHBondContact O-CB 3.49Å; P549-P604 HydrophobicContact CB-CG 3.96Å; P549-P604 HydrophobicContact CG-CG 4.44Å; P549-L607 HydrophobicContact CG-CD1 4.4Å
550	S	95.4	Very high	94.6	Very high	30 Å²	30	25.9 Å²	25.9	21%	0.21	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-60.7	-11.8	175.4	50.1	0	0	0	0	115.4	Q548	Q548-S550 PolarHBondContact O-N 3.21Å
551	N	97.3	Very high	94.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-108.8	2.6	-178	-67.5	72.2	0	0	0	112.3	L525 V532 I535 C536 I537 Q548 P549	L525-N551 HydrophobicContact CD1-CB 3.87Å; V532-N551 PolarHBondContact O-ND2 2.92Å; I535-N551 PolarHBondContact O-ND2 3.06Å; C536-N551 WeakPolarHBondContact CA-O 3.43Å; I537-N551 PolarHBondContact N-O 3.15Å; Q548-N551 HydrophobicContact CB-CB 4.36Å; Q548-N551 WeakPolarHBondContact O-CB 3.27Å; Q548-N551 PolarHBondContact O-N 2.55Å; P549-N551 PolarHBondContact O-N 2.66Å
552	A	97.2	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129	-169.1	0	0	0	0	0	113.5	I537 F545 P549 Q600	I537-A552 HydrophobicContact CG2-CB 3.78Å; F545-A552 HydrophobicContact CB-CB 4.09Å; F545-A552 HydrophobicContact CD1-CB 3.61Å; F545-A552 HydrophobicContact CD2-CB 3.42Å; F545-A552 VanDerWaalsContact CD2-CB 3.42Å; F545-A552 HydrophobicContact CE1-CB 3.77Å; F545-A552 HydrophobicContact CE2-CB 3.6Å; F545-A552 HydrophobicContact CG-CB 3.42Å; F545-A552 VanDerWaalsContact CG-CB 3.42Å; F545-A552 HydrophobicContact CZ-CB 3.74Å; P549-A552 WeakPolarHBondContact O-CB 3.08Å; P549-A552 PolarHBondContact O-N 3.09Å; A552-Q600 HydrophobicContact CB-CG 4.35Å; A552-Q600 PolarHBondContact O-N 3.36Å; A552-Q600 VanDerWaalsContact O-N 3.15Å
553	L	96.7	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	100.8	158.5	-74.9	168.2	0	0	0	107.7	I537 V538 D539 I555 L570 Y573 L574 L587 P592 A599	I537-L553 PolarHBondContact O-N 2.86Å; V538-L553 WeakPolarHBondContact CA-O 3.13Å; V538-L553 HydrophobicContact CG2-CB 4.28Å; V538-L553 HydrophobicContact CG2-CD1 4.3Å; D539-L553 PolarHBondContact N-O 3.47Å; L553-I555 PolarHBondContact O-N 2.84Å; L553-I555 VanDerWaalsContact O-N 3.09Å; L553-L570 HydrophobicContact CD1-CD2 4.37Å; L553-Y573 HydrophobicContact CD1-CD1 4.12Å; L553-Y573 HydrophobicContact CD1-CE1 3.86Å; L553-Y573 HydrophobicContact CD2-CD1 4.48Å; L553-Y573 HydrophobicContact CD2-CE1 3.76Å; L553-Y573 HydrophobicContact CG-CE1 4.38Å; L553-L574 HydrophobicContact CD1-CD2 3.74Å; L553-L587 HydrophobicContact CD1-CD2 4.14Å; L553-L587 HydrophobicContact CD2-CD2 3.71Å; L553-L587 HydrophobicContact CG-CD2 3.76Å; L553-P592 HydrophobicContact CD2-CB 3.91Å; L553-P592 HydrophobicContact CD2-CG 3.91Å; L553-A599 HydrophobicContact CD2-CB 4.06Å
554	Q	96.6	Very high	95.1	Very high	52 Å²	52	39.2 Å²	39.2	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	107.2	172.4	-168.5	-166.7	-6.2	0	0	108.7	D539 N540 P542 F545 A597 V598 Q600	D539-Q554 VanDerWaalsContact O-CA 3.29Å; D539-Q554 WeakPolarHBondContact O-CA 3.48Å; N540-Q554 PolarHBondContact O-NE2 3.14Å; N540-Q554 VanDerWaalsContact O-NE2 3.1Å; P542-Q554 HydrophobicContact CG-CG 4.45Å; F545-Q554 HydrophobicContact CE1-CB 4.45Å; F545-Q554 HydrophobicContact CZ-CB 4Å; F545-Q554 HydrophobicContact CZ-CG 4.25Å; Q554-A597 CarbonylContact O-C 3.57Å; Q554-A597 WeakPolarHBondContact O-CA 3.35Å; Q554-A597 WeakPolarHBondContact O-CB 3.38Å; Q554-V598 PolarHBondContact N-O 3.17Å; Q554-V598 PolarHBondContact O-N 2.91Å; Q554-Q600 HydrophobicContact CB-CG 4.43Å
555	I	97.1	Very high	95.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	151.9	174.6	-164.1	174.2	0	0	0	110	T433 V538 D539 N540 L553 S557 A566 L567 L570 A596	T433-I555 HydrophobicContact CG2-CG2 3.94Å; T433-I555 WeakPolarHBondContact OG1-CG2 3.07Å; V538-I555 HydrophobicContact CG1-CB 3.91Å; V538-I555 HydrophobicContact CG1-CD1 4.22Å; V538-I555 HydrophobicContact CG1-CG2 4.17Å; D539-I555 PolarHBondContact O-N 3.2Å; N540-I555 VanDerWaalsContact CA-O 3.31Å; N540-I555 WeakPolarHBondContact CA-O 3.29Å; N540-I555 HydrophobicContact CB-CG2 3.86Å; N540-I555 WeakPolarHBondContact CB-O 3.26Å; L553-I555 PolarHBondContact O-N 2.84Å; L553-I555 VanDerWaalsContact O-N 3.09Å; I555-S557 PolarHBondContact O-N 2.53Å; I555-A566 HydrophobicContact CD1-CB 4.44Å; I555-A566 HydrophobicContact CG1-CB 4.38Å; I555-L567 HydrophobicContact CD1-CD2 3.68Å; I555-L570 HydrophobicContact CD1-CD1 3.59Å; I555-L570 HydrophobicContact CG1-CD1 3.94Å; I555-A596 WeakPolarHBondContact CA-O 3.22Å; I555-A596 VanDerWaalsContact CG1-O 3.32Å; I555-A596 WeakPolarHBondContact CG1-O 3.03Å
556	V	95	Very high	95.5	Very high	62 Å²	62	44.2 Å²	44.2	38%	0.376	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-67.7	132.2	173	-58.8	0	0	0	0	110.3	R465 A566 A596	R465-V556 VanDerWaalsContact CZ-O 3.31Å; R465-V556 PolarHBondContact NH1-O 2.93Å; R465-V556 VanDerWaalsContact NH2-CG2 3.33Å; R465-V556 PolarHBondContact NH2-O 2.67Å; V556-A566 HydrophobicContact CG2-CB 4.15Å; V556-A596 PolarHBondContact N-O 3.09Å
557	S	95.8	Very high	95.7	Very high	48 Å²	48	42.7 Å²	42.7	34%	0.336	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-60.7	136.6	176.3	-54.7	0	0	0	0	111.2	N540 I555	N540-S557 PolarHBondContact ND2-OG 2.83Å; I555-S557 PolarHBondContact O-N 2.53Å
558	W	96.2	Very high	95.9	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.027	23%	0.225	C	C	.	.			trans	-120.4	127.4	-177.2	179.2	84.7	0	0	0	112.4	E432 H436 R463 K464 R465 P466 G560 D561	E432-W558 PolarHBondContact O-N 2.8Å; H436-W558 HydrophobicContact CB-CE3 3.68Å; H436-W558 HydrophobicContact CB-CZ3 3.63Å; H436-W558 WeakPolarHBondContact CB-O 3.46Å; R463-W558 HydrophobicContact CB-CH2 3.84Å; R463-W558 HydrophobicContact CB-CZ3 4.25Å; R463-W558 WeakPolarHBondContact O-CZ3 3.15Å; K464-W558 WeakPolarHBondContact O-CH2 3.41Å; R465-W558 HydrophobicContact CB-CD2 3.89Å; R465-W558 HydrophobicContact CB-CE3 3.84Å; R465-W558 HydrophobicContact CB-CG 4.4Å; R465-W558 HydrophobicContact CB-CH2 4.44Å; R465-W558 HydrophobicContact CB-CZ2 4.49Å; R465-W558 HydrophobicContact CB-CZ3 4.12Å; R465-W558 HydrophobicContact CG-CB 4.29Å; R465-W558 HydrophobicContact CG-CD2 3.75Å; R465-W558 HydrophobicContact CG-CE3 4.22Å; R465-W558 HydrophobicContact CG-CG 3.78Å; R465-W558 VanDerWaalsContact CZ-CB 3.46Å; P466-W558 VanDerWaalsContact CD-CZ2 3.5Å; P466-W558 HydrophobicContact CG-CZ2 4.5Å; W558-G560 VanDerWaalsContact CE2-CA 3.48Å; W558-D561 PolarHBondContact NE1-O 2.87Å
559	F	92.9	Very high	96	Very high	119 Å²	119	41.6 Å²	41.6	52%	0.522	23%	0.233	S	C	.	.	S	Bend	trans	-120	19.4	-175.8	-57.6	-80.9	0	0	0	113.1	E432 H436 R463	E432-F559 HydrophobicContact CG-CD1 3.86Å; E432-F559 HydrophobicContact CG-CE1 3.29Å; E432-F559 HydrophobicContact CG-CZ 3.69Å; H436-F559 AromaticContact CE1-CD1 3.86Å; H436-F559 AromaticContact ND1-CD1 3.82Å; R463-F559 PolarHBondContact NH2-O 2.81Å
560	G	90.7	Very high	96.2	Very high	13 Å²	13	41 Å²	41	13%	0.134	23%	0.229	C	C	.	.	S	Bend	trans	111.9	16.9	178.6	0	0	0	0	0	117.8	R463 W558 L562	R463-G560 VanDerWaalsContact NH1-CA 3.34Å; R463-G560 PolarHBondContact NH1-O 3.5Å; W558-G560 VanDerWaalsContact CE2-CA 3.48Å; G560-L562 PolarHBondContact O-N 2.75Å
561	D	93.1	Very high	96.3	Very high	95 Å²	95	40.7 Å²	40.7	51%	0.508	22%	0.224	S	C	.	.			trans	-69.1	126.6	172.9	-177.6	14.7	0	0	0	110.7	P466 W558 A563	P466-D561 WeakPolarHBondContact CG-O 3.24Å; W558-D561 PolarHBondContact NE1-O 2.87Å; D561-A563 VanDerWaalsContact C-N 3.31Å; D561-A563 PolarHBondContact OD1-N 2.73Å
562	L	94.1	Very high	96.3	Very high	155 Å²	155	44.9 Å²	44.9	81%	0.812	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.7	178.7	-58.3	-179.8	0	0	0	112.6	G560	G560-L562 PolarHBondContact O-N 2.75Å
563	A	96.1	Very high	96.4	Very high	70 Å²	70	45.7 Å²	45.7	58%	0.579	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-6.4	174.1	0	0	0	0	0	113.8	D561 Q565	D561-A563 VanDerWaalsContact C-N 3.31Å; D561-A563 PolarHBondContact OD1-N 2.73Å; A563-Q565 WeakPolarHBondContact O-CG 3.23Å; A563-Q565 PolarHBondContact O-N 3.41Å
564	D	97.2	Very high	96.5	Very high	18 Å²	18	45.7 Å²	45.7	10%	0.096	26%	0.255	C	S	.	.			trans	-55.1	131.1	176.9	-177.3	-76.7	0	0	0	111.1	R465 P466 Y467 A566	R465-D564 IonicContact CZ-OD1 2.73Å; R465-D564 IonicContact CZ-OD2 3.27Å; R465-D564 IonicContact NE-OD1 3.4Å; R465-D564 PolarHBondContact NE-OD1 3.38Å; R465-D564 IonicContact NE-OD2 2.75Å; R465-D564 PolarHBondContact NE-OD2 2.99Å; R465-D564 IonicContact NH2-OD1 3.73Å; R465-D564 IonicContact NH2-OD2 2.75Å; R465-D564 PolarHBondContact NH2-OD2 2.75Å; P466-D564 VanDerWaalsContact CB-O 3.29Å; P466-D564 WeakPolarHBondContact CB-O 3.28Å; P466-D564 HydrophobicContact CG-CB 4.14Å; Y467-D564 WeakPolarHBondContact CE2-O 3.23Å; D564-A566 PolarHBondContact OD1-N 3.27Å
565	Q	97.8	Very high	96.5	Very high	100 Å²	100	46.1 Å²	46.1	47%	0.467	26%	0.261	S	S	.	.			trans	-121.3	9.7	173.6	-51.5	-161.8	22.3	0	0	112.4	Y467 A563 L567 C568 E569	Y467-Q565 HydrophobicContact CE2-CB 4.27Å; Y467-Q565 HydrophobicContact CE2-CG 4.06Å; A563-Q565 WeakPolarHBondContact O-CG 3.23Å; A563-Q565 PolarHBondContact O-N 3.41Å; Q565-L567 PolarHBondContact O-N 3.43Å; Q565-C568 CarbonylContact O-C 3.57Å; Q565-C568 WeakPolarHBondContact O-CA 3.36Å; Q565-C568 WeakPolarHBondContact O-CB 3.23Å; Q565-C568 PolarHBondContact O-N 2.79Å; Q565-E569 HydrophobicContact CB-CG 4.25Å; Q565-E569 PolarHBondContact O-N 2.9Å
566	A	98	Very high	96.6	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-46.2	-166.3	0	0	0	0	0	112.3	R465 I555 V556 D564 C568 E569 L570 A596	R465-A566 VanDerWaalsContact NH2-CB 3.3Å; I555-A566 HydrophobicContact CD1-CB 4.44Å; I555-A566 HydrophobicContact CG1-CB 4.38Å; V556-A566 HydrophobicContact CG2-CB 4.15Å; D564-A566 PolarHBondContact OD1-N 3.27Å; A566-C568 VanDerWaalsContact C-N 3.28Å; A566-C568 PolarHBondContact O-N 2.93Å; A566-E569 PolarHBondContact O-N 3.08Å; A566-L570 WeakPolarHBondContact O-CB 3.22Å; A566-L570 WeakPolarHBondContact O-CG 3.41Å; A566-L570 PolarHBondContact O-N 3.43Å; A566-A596 HydrophobicContact CB-CB 3.83Å
567	L	98.5	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-33.4	174.5	-64.6	-176.9	0	0	0	112.3	L434 R465 L468 F471 I555 Q565 I571	L434-L567 HydrophobicContact CD2-CD1 4.26Å; L434-L567 HydrophobicContact CD2-CD2 4.09Å; R465-L567 HydrophobicContact CB-CD1 3.85Å; R465-L567 HydrophobicContact CG-CD1 3.84Å; R465-L567 HydrophobicContact CG-CG 4.17Å; L468-L567 HydrophobicContact CB-CD1 4.18Å; L468-L567 HydrophobicContact CD1-CD1 4.07Å; F471-L567 HydrophobicContact CB-CB 4.06Å; F471-L567 HydrophobicContact CD1-CD2 4.13Å; F471-L567 HydrophobicContact CD2-CB 4.08Å; F471-L567 HydrophobicContact CD2-CD2 4.24Å; F471-L567 VanDerWaalsContact CD2-O 3.24Å; F471-L567 WeakPolarHBondContact CD2-O 3.5Å; F471-L567 HydrophobicContact CE1-CD2 4.06Å; F471-L567 HydrophobicContact CE2-CD2 4.15Å; F471-L567 HydrophobicContact CG-CB 4.08Å; F471-L567 HydrophobicContact CG-CD2 4.21Å; F471-L567 HydrophobicContact CZ-CD2 4.07Å; I555-L567 HydrophobicContact CD1-CD2 3.68Å; Q565-L567 PolarHBondContact O-N 3.43Å; L567-I571 WeakPolarHBondContact O-CG1 3.46Å
568	C	98	Very high	96.9	Very high	24 Å²	24	43 Å²	43	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-72.7	-42.8	177.3	-175.1	0	0	0	0	112.4	Y467 K470 Q565 A566 L570 I571	Y467-C568 HydrophobicContact CD1-CB 4.14Å; Y467-C568 HydrophobicContact CD2-CB 3.61Å; Y467-C568 HydrophobicContact CE2-CB 4.1Å; Y467-C568 HydrophobicContact CG-CB 3.63Å; K470-C568 PolarHBondContact NZ-SG 2.96Å; Q565-C568 CarbonylContact O-C 3.57Å; Q565-C568 WeakPolarHBondContact O-CA 3.36Å; Q565-C568 WeakPolarHBondContact O-CB 3.23Å; Q565-C568 PolarHBondContact O-N 2.79Å; A566-C568 VanDerWaalsContact C-N 3.28Å; A566-C568 PolarHBondContact O-N 2.93Å; C568-L570 VanDerWaalsContact C-N 3.3Å; C568-L570 PolarHBondContact O-N 2.75Å; C568-I571 PolarHBondContact O-N 2.68Å
569	E	97.7	Very high	96.9	Very high	59 Å²	59	47.9 Å²	47.9	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-30.8	176.4	-68.7	-171.6	-179.3	0	0	112.1	Q565 A566 I571 P572 P593 A596	Q565-E569 HydrophobicContact CB-CG 4.25Å; Q565-E569 PolarHBondContact O-N 2.9Å; A566-E569 PolarHBondContact O-N 3.08Å; E569-I571 PolarHBondContact O-N 3.37Å; E569-P572 WeakPolarHBondContact O-CD 3.28Å; E569-P593 HydrophobicContact CB-CB 3.82Å; E569-P593 HydrophobicContact CB-CG 3.81Å; E569-P593 VanDerWaalsContact O-CG 3.27Å; E569-P593 WeakPolarHBondContact O-CG 3.35Å; E569-P593 WeakPolarHBondContact OE2-CB 3.44Å; E569-A596 HydrophobicContact CB-CB 4.02Å
570	L	97.9	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.3	-23.7	176.8	-85.6	163	0	0	0	114.3	F471 L553 I555 A566 C568 Y573 L574 A596 A597	F471-L570 HydrophobicContact CE2-CB 4.16Å; L553-L570 HydrophobicContact CD1-CD2 4.37Å; I555-L570 HydrophobicContact CD1-CD1 3.59Å; I555-L570 HydrophobicContact CG1-CD1 3.94Å; A566-L570 WeakPolarHBondContact O-CB 3.22Å; A566-L570 WeakPolarHBondContact O-CG 3.41Å; A566-L570 PolarHBondContact O-N 3.43Å; C568-L570 VanDerWaalsContact C-N 3.3Å; C568-L570 PolarHBondContact O-N 2.75Å; L570-Y573 PolarHBondContact O-N 3.22Å; L570-L574 HydrophobicContact CB-CD1 4.31Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 3.06Å; L570-A596 HydrophobicContact CG-CB 4.22Å; L570-A597 HydrophobicContact CD1-CB 4.44Å; L570-A597 HydrophobicContact CD2-CB 4.09Å
571	I	98.5	Very high	97.3	Very high	22 Å²	22	52.1 Å²	52.1	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-51.3	-174.9	-67.7	165.1	0	0	0	112.5	K470 F471 A474 L567 C568 E569 Y573 T575	K470-I571 HydrophobicContact CD-CD1 4.27Å; K470-I571 HydrophobicContact CG-CD1 4.01Å; F471-I571 HydrophobicContact CB-CD1 4.47Å; F471-I571 HydrophobicContact CD2-CG1 3.95Å; A474-I571 HydrophobicContact CB-CD1 4.18Å; A474-I571 HydrophobicContact CB-CG1 4.2Å; A474-I571 HydrophobicContact CB-CG2 3.65Å; L567-I571 WeakPolarHBondContact O-CG1 3.46Å; C568-I571 PolarHBondContact O-N 2.68Å; E569-I571 PolarHBondContact O-N 3.37Å; I571-Y573 VanDerWaalsContact C-N 3.32Å; I571-Y573 PolarHBondContact O-N 2.71Å; I571-T575 WeakPolarHBondContact O-CB 3.39Å; I571-T575 PolarHBondContact O-N 3.03Å; I571-T575 PolarHBondContact O-OG1 3.23Å
572	P	97.8	Very high	97.5	Very high	92 Å²	92	47.9 Å²	47.9	60%	0.597	27%	0.274	S	S	*	.	H	α-helix	trans	-63.9	-36.3	179.2	-22.4	35.4	0	0	0	112.9	E569 T575 G576	E569-P572 WeakPolarHBondContact O-CD 3.28Å; P572-T575 PolarHBondContact O-N 3.18Å; P572-G576 PolarHBondContact O-N 2.62Å; P572-G576 VanDerWaalsContact O-N 3.09Å
573	Y	98.1	Very high	97.7	Very high	17 Å²	17	40.5 Å²	40.5	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-48.8	179.5	-172.9	-93.9	0	0	0	111.7	L553 L570 I571 T575 G576 L577 Y586 L587 F590 R591 P592	L553-Y573 HydrophobicContact CD1-CD1 4.12Å; L553-Y573 HydrophobicContact CD1-CE1 3.86Å; L553-Y573 HydrophobicContact CD2-CD1 4.48Å; L553-Y573 HydrophobicContact CD2-CE1 3.76Å; L553-Y573 HydrophobicContact CG-CE1 4.38Å; L570-Y573 PolarHBondContact O-N 3.22Å; I571-Y573 VanDerWaalsContact C-N 3.32Å; I571-Y573 PolarHBondContact O-N 2.71Å; Y573-T575 VanDerWaalsContact C-N 3.3Å; Y573-T575 PolarHBondContact O-N 2.72Å; Y573-G576 PolarHBondContact O-N 2.93Å; Y573-G576 VanDerWaalsContact O-N 3.16Å; Y573-L577 PolarHBondContact O-N 2.78Å; Y573-Y586 HydrophobicContact CD1-CE1 4.18Å; Y573-Y586 HydrophobicContact CD2-CE1 4.11Å; Y573-Y586 HydrophobicContact CE1-CD1 4.2Å; Y573-Y586 AromaticContact CE1-CE1 3.77Å; Y573-Y586 HydrophobicContact CE1-CE1 3.77Å; Y573-Y586 HydrophobicContact CE2-CD1 4.48Å; Y573-Y586 AromaticContact CE2-CE1 3.71Å; Y573-Y586 HydrophobicContact CE2-CE1 3.71Å; Y573-Y586 HydrophobicContact CG-CE1 4.34Å; Y573-Y586 AromaticContact CZ-CD1 3.95Å; Y573-Y586 AromaticContact CZ-CE1 3.54Å; Y573-Y586 PolarHBondContact O-OH 3.29Å; Y573-L587 HydrophobicContact CE1-CD2 3.87Å; Y573-L587 WeakPolarHBondContact OH-CD2 3.38Å; Y573-F590 HydrophobicContact CE2-CB 3.83Å; Y573-F590 VanDerWaalsContact CE2-O 3.31Å; Y573-F590 WeakPolarHBondContact CE2-O 3.21Å; Y573-F590 PolarHBondContact OH-O 3.47Å; Y573-R591 VanDerWaalsContact CE2-C 3.43Å; Y573-R591 WeakPolarHBondContact CE2-O 3.13Å; Y573-P592 HydrophobicContact CD1-CB 4.37Å; Y573-P592 HydrophobicContact CD2-CB 4.36Å; Y573-P592 HydrophobicContact CE1-CB 4.18Å; Y573-P592 HydrophobicContact CE2-CB 4.15Å; Y573-P592 HydrophobicContact CG-CB 4.46Å
574	L	98.5	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-31.9	175.3	-66.1	175.8	0	0	0	112.1	L426 F471 I475 F479 L553 L570 G576 L577 A578	L426-L574 HydrophobicContact CD1-CD2 4.27Å; L426-L574 HydrophobicContact CD2-CD1 4.27Å; F471-L574 HydrophobicContact CE2-CD1 3.61Å; F471-L574 HydrophobicContact CZ-CD1 3.86Å; I475-L574 HydrophobicContact CG2-CB 3.96Å; I475-L574 HydrophobicContact CG2-CD1 3.97Å; F479-L574 HydrophobicContact CE2-CB 4.11Å; F479-L574 WeakPolarHBondContact CE2-O 3.33Å; F479-L574 HydrophobicContact CZ-CB 4.34Å; F479-L574 VanDerWaalsContact CZ-O 3.24Å; F479-L574 WeakPolarHBondContact CZ-O 3.45Å; L553-L574 HydrophobicContact CD1-CD2 3.74Å; L570-L574 HydrophobicContact CB-CD1 4.31Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 3.06Å; L574-G576 VanDerWaalsContact C-N 3.31Å; L574-G576 PolarHBondContact O-N 3.31Å; L574-L577 HydrophobicContact CD2-CD2 3.73Å; L574-L577 PolarHBondContact O-N 3.14Å; L574-A578 PolarHBondContact O-N 2.72Å
575	T	98.3	Very high	97.6	Very high	61 Å²	61	40.5 Å²	40.5	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-38.2	172.7	-56.8	0	0	0	0	111.8	L478 I571 P572 Y573	L478-T575 HydrophobicContact CD1-CG2 4.15Å; I571-T575 WeakPolarHBondContact O-CB 3.39Å; I571-T575 PolarHBondContact O-N 3.03Å; I571-T575 PolarHBondContact O-OG1 3.23Å; P572-T575 PolarHBondContact O-N 3.18Å; Y573-T575 VanDerWaalsContact C-N 3.3Å; Y573-T575 PolarHBondContact O-N 2.72Å
576	G	98	Very high	97.6	Very high	25 Å²	25	37 Å²	37	26%	0.258	21%	0.209	S	C	.	.	H	α-helix	trans	-67.6	-47.5	171.5	0	0	0	0	0	112.6	P572 Y573 L574 A578 S579 A580	P572-G576 PolarHBondContact O-N 2.62Å; P572-G576 VanDerWaalsContact O-N 3.09Å; Y573-G576 PolarHBondContact O-N 2.93Å; Y573-G576 VanDerWaalsContact O-N 3.16Å; L574-G576 VanDerWaalsContact C-N 3.31Å; L574-G576 PolarHBondContact O-N 3.31Å; G576-A578 VanDerWaalsContact C-N 3.3Å; G576-A578 PolarHBondContact O-N 3.09Å; G576-S579 PolarHBondContact O-N 2.98Å; G576-A580 PolarHBondContact O-N 3.43Å
577	L	98.3	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.1	-41.1	178.7	176.8	64.5	0	0	0	113	K424 F479 C536 Y573 L574 S579 A580 V583 Y586	K424-L577 WeakPolarHBondContact CD-O 3.47Å; K424-L577 WeakPolarHBondContact CE-O 3.47Å; F479-L577 HydrophobicContact CE1-CD2 4.41Å; F479-L577 HydrophobicContact CE1-CG 4.42Å; F479-L577 HydrophobicContact CZ-CB 4.37Å; F479-L577 HydrophobicContact CZ-CD2 4.29Å; F479-L577 HydrophobicContact CZ-CG 4.3Å; C536-L577 HydrophobicContact CB-CD2 3.86Å; Y573-L577 PolarHBondContact O-N 2.78Å; L574-L577 HydrophobicContact CD2-CD2 3.73Å; L574-L577 PolarHBondContact O-N 3.14Å; L577-S579 PolarHBondContact O-N 2.95Å; L577-A580 VanDerWaalsContact O-CB 3.27Å; L577-A580 WeakPolarHBondContact O-CB 3.46Å; L577-A580 PolarHBondContact O-N 3.21Å; L577-V583 HydrophobicContact CD1-CB 4.28Å; L577-V583 HydrophobicContact CD1-CG1 4.19Å; L577-V583 HydrophobicContact CD1-CG2 4.14Å; L577-Y586 HydrophobicContact CB-CD1 3.77Å; L577-Y586 HydrophobicContact CB-CE1 3.75Å; L577-Y586 HydrophobicContact CB-CG 4.37Å; L577-Y586 HydrophobicContact CD1-CD1 3.57Å; L577-Y586 HydrophobicContact CD1-CE1 4.43Å; L577-Y586 HydrophobicContact CD1-CG 3.81Å; L577-Y586 HydrophobicContact CG-CD1 4.25Å
578	A	98.2	Very high	97.2	Very high	23 Å²	23	45.3 Å²	45.3	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-52.2	-42.3	176.8	0	0	0	0	0	111.6	K424 L478 F479 L574 G576	K424-A578 PolarHBondContact NZ-O 3.09Å; L478-A578 HydrophobicContact CB-CB 4.15Å; F479-A578 HydrophobicContact CE1-CB 4.23Å; F479-A578 HydrophobicContact CE2-CB 3.92Å; F479-A578 HydrophobicContact CZ-CB 3.72Å; L574-A578 PolarHBondContact O-N 2.72Å; G576-A578 VanDerWaalsContact C-N 3.3Å; G576-A578 PolarHBondContact O-N 3.09Å
579	S	96.4	Very high	97	Very high	109 Å²	109	51 Å²	51	76%	0.762	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.6	-178.2	-54.8	0	0	0	0	114.6	G576 L577	G576-S579 PolarHBondContact O-N 2.98Å; L577-S579 PolarHBondContact O-N 2.95Å
580	A	97	Very high	96.9	Very high	21 Å²	21	52.4 Å²	52.4	17%	0.174	27%	0.27	C	S	.	.	S	Bend	trans	-73.4	166.4	-175.7	0	0	0	0	0	113.6	K424 G576 L577 Y586	K424-A580 WeakPolarHBondContact CE-O 3.48Å; K424-A580 PolarHBondContact NZ-O 2.73Å; G576-A580 PolarHBondContact O-N 3.43Å; L577-A580 VanDerWaalsContact O-CB 3.27Å; L577-A580 WeakPolarHBondContact O-CB 3.46Å; L577-A580 PolarHBondContact O-N 3.21Å; A580-Y586 HydrophobicContact CB-CD2 3.59Å; A580-Y586 HydrophobicContact CB-CG 3.9Å
581	R	96.1	Very high	96.7	Very high	200 Å²	200	62.8 Å²	62.8	76%	0.755	31%	0.309	S	S	*	.	S	Bend	trans	-69.2	-53.5	175.7	-179.3	-159	158.9	87	8.2	112	Q534	Q534-R581 PolarHBondContact NE2-O 2.88Å
582	T	96.8	Very high	96.5	Very high	5 Å²	5	62.5 Å²	62.5	3%	0.031	31%	0.308	C	S	.	.			trans	-134.8	161.6	175	73	0	0	0	0	107.7	E533 D585	E533-T582 HydrophobicContact CB-CG2 4.18Å; E533-T582 CarbonylContact O-C 3.57Å; E533-T582 WeakPolarHBondContact O-CA 3.29Å; E533-T582 WeakPolarHBondContact OE2-CG2 3.37Å; T582-D585 WeakPolarHBondContact CG2-OD2 3.4Å; T582-D585 VanDerWaalsContact OG1-CB 3.26Å; T582-D585 WeakPolarHBondContact OG1-CB 3.42Å; T582-D585 PolarHBondContact OG1-N 3.05Å; T582-D585 PolarHBondContact OG1-OD2 3.19Å
583	V	97.7	Very high	96.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-48.6	171.7	173.7	0	0	0	0	110	K424 E533 C536 L577 D585 Y586 L587	K424-V583 HydrophobicContact CD-CG2 4.07Å; E533-V583 PolarHBondContact O-N 3.39Å; C536-V583 HydrophobicContact CB-CG1 3.7Å; C536-V583 HydrophobicContact CB-CG2 4.05Å; L577-V583 HydrophobicContact CD1-CB 4.28Å; L577-V583 HydrophobicContact CD1-CG1 4.19Å; L577-V583 HydrophobicContact CD1-CG2 4.14Å; V583-D585 VanDerWaalsContact C-N 3.34Å; V583-D585 PolarHBondContact O-N 3.44Å; V583-Y586 PolarHBondContact O-N 3.36Å; V583-Y586 VanDerWaalsContact O-N 3.11Å; V583-L587 HydrophobicContact CG1-CD1 3.74Å; V583-L587 HydrophobicContact CG1-CG 3.97Å; V583-L587 WeakPolarHBondContact O-CG 3.35Å; V583-L587 PolarHBondContact O-N 2.71Å
584	V	95.8	Very high	95.9	Very high	20 Å²	20	66.5 Å²	66.5	12%	0.121	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-37	-173.1	179.5	0	0	0	0	112.7	R588	V584-R588 VanDerWaalsContact CG1-NH2 3.34Å; V584-R588 VanDerWaalsContact O-CD 3.26Å; V584-R588 WeakPolarHBondContact O-CD 3.37Å; V584-R588 WeakPolarHBondContact O-CG 3.17Å; V584-R588 PolarHBondContact O-N 3.42Å
585	D	95.7	Very high	95.4	Very high	68 Å²	68	72.4 Å²	72.4	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-69.5	-42.9	174.9	-62.8	-41.6	0	0	0	111	T582 V583 R588 E589	T582-D585 WeakPolarHBondContact CG2-OD2 3.4Å; T582-D585 VanDerWaalsContact OG1-CB 3.26Å; T582-D585 WeakPolarHBondContact OG1-CB 3.42Å; T582-D585 PolarHBondContact OG1-N 3.05Å; T582-D585 PolarHBondContact OG1-OD2 3.19Å; V583-D585 VanDerWaalsContact C-N 3.34Å; V583-D585 PolarHBondContact O-N 3.44Å; D585-R588 PolarHBondContact O-N 2.77Å; D585-E589 WeakPolarHBondContact O-CB 3.29Å; D585-E589 PolarHBondContact O-N 3.44Å
586	Y	97.6	Very high	95.1	Very high	28 Å²	28	69.5 Å²	69.5	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-44	-179.8	-170.5	-92.2	0	0	0	112.5	Y573 L577 A580 V583 R588 E589 F590	Y573-Y586 HydrophobicContact CD1-CE1 4.18Å; Y573-Y586 HydrophobicContact CD2-CE1 4.11Å; Y573-Y586 HydrophobicContact CE1-CD1 4.2Å; Y573-Y586 AromaticContact CE1-CE1 3.77Å; Y573-Y586 HydrophobicContact CE1-CE1 3.77Å; Y573-Y586 HydrophobicContact CE2-CD1 4.48Å; Y573-Y586 AromaticContact CE2-CE1 3.71Å; Y573-Y586 HydrophobicContact CE2-CE1 3.71Å; Y573-Y586 HydrophobicContact CG-CE1 4.34Å; Y573-Y586 AromaticContact CZ-CD1 3.95Å; Y573-Y586 AromaticContact CZ-CE1 3.54Å; Y573-Y586 PolarHBondContact O-OH 3.29Å; L577-Y586 HydrophobicContact CB-CD1 3.77Å; L577-Y586 HydrophobicContact CB-CE1 3.75Å; L577-Y586 HydrophobicContact CB-CG 4.37Å; L577-Y586 HydrophobicContact CD1-CD1 3.57Å; L577-Y586 HydrophobicContact CD1-CE1 4.43Å; L577-Y586 HydrophobicContact CD1-CG 3.81Å; L577-Y586 HydrophobicContact CG-CD1 4.25Å; A580-Y586 HydrophobicContact CB-CD2 3.59Å; A580-Y586 HydrophobicContact CB-CG 3.9Å; V583-Y586 PolarHBondContact O-N 3.36Å; V583-Y586 VanDerWaalsContact O-N 3.11Å; Y586-R588 PolarHBondContact O-N 2.96Å; Y586-E589 PolarHBondContact O-N 3.41Å; Y586-F590 HydrophobicContact CD1-CB 4.45Å; Y586-F590 HydrophobicContact CD1-CD2 4.41Å; Y586-F590 AromaticContact CD2-CD2 3.3Å; Y586-F590 HydrophobicContact CD2-CD2 3.3Å; Y586-F590 AromaticContact CD2-CE2 3.7Å; Y586-F590 HydrophobicContact CD2-CE2 3.7Å; Y586-F590 HydrophobicContact CD2-CG 4.18Å; Y586-F590 HydrophobicContact CE1-CB 4.07Å; Y586-F590 HydrophobicContact CE1-CD2 4.41Å; Y586-F590 HydrophobicContact CE1-CG 4.47Å; Y586-F590 HydrophobicContact CE2-CB 4.25Å; Y586-F590 AromaticContact CE2-CD2 3.27Å; Y586-F590 HydrophobicContact CE2-CD2 3.27Å; Y586-F590 AromaticContact CE2-CE2 3.71Å; Y586-F590 HydrophobicContact CE2-CE2 3.71Å; Y586-F590 AromaticContact CE2-CG 3.76Å; Y586-F590 HydrophobicContact CE2-CG 3.76Å; Y586-F590 AromaticContact CG-CD2 3.9Å; Y586-F590 HydrophobicContact CG-CD2 3.9Å; Y586-F590 AromaticContact CZ-CD2 3.86Å; Y586-F590 AromaticContact CZ-CG 3.91Å; Y586-F590 PolarHBondContact O-N 2.94Å
587	L	95.9	Very high	94.9	Very high	14 Å²	14	68.4 Å²	68.4	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-21.4	177.5	-65.3	-170.8	0	0	0	113	L553 Y573 V583 A599	L553-L587 HydrophobicContact CD1-CD2 4.14Å; L553-L587 HydrophobicContact CD2-CD2 3.71Å; L553-L587 HydrophobicContact CG-CD2 3.76Å; Y573-L587 HydrophobicContact CE1-CD2 3.87Å; Y573-L587 WeakPolarHBondContact OH-CD2 3.38Å; V583-L587 HydrophobicContact CG1-CD1 3.74Å; V583-L587 HydrophobicContact CG1-CG 3.97Å; V583-L587 WeakPolarHBondContact O-CG 3.35Å; V583-L587 PolarHBondContact O-N 2.71Å; L587-A599 HydrophobicContact CB-CB 4.21Å; L587-A599 HydrophobicContact CD2-CB 4.44Å
588	R	93.6	Very high	94.5	Very high	164 Å²	164	72.2 Å²	72.2	62%	0.619	35%	0.348	S	S	*	.	H	α-helix	trans	-87.8	-38.2	174.2	-69.9	167.2	-179.8	167.7	-0.1	113	V584 D585 Y586	V584-R588 VanDerWaalsContact CG1-NH2 3.34Å; V584-R588 VanDerWaalsContact O-CD 3.26Å; V584-R588 WeakPolarHBondContact O-CD 3.37Å; V584-R588 WeakPolarHBondContact O-CG 3.17Å; V584-R588 PolarHBondContact O-N 3.42Å; D585-R588 PolarHBondContact O-N 2.77Å; Y586-R588 PolarHBondContact O-N 2.96Å
589	E	93.9	Very high	94	Very high	144 Å²	144	72.1 Å²	72.1	67%	0.673	35%	0.347	S	S	*	.	H	α-helix	trans	-80	-43.4	-176.5	-174	177.6	-178.8	0	0	112.2	D585 Y586	D585-E589 WeakPolarHBondContact O-CB 3.29Å; D585-E589 PolarHBondContact O-N 3.44Å; Y586-E589 PolarHBondContact O-N 3.41Å
590	F	95.2	Very high	93.2	Very high	88 Å²	88	67.8 Å²	67.8	39%	0.386	32%	0.315	S	S	.	.	S	Bend	trans	-109.1	122.9	-175.1	-58.6	-84.5	0	0	0	110.4	Y573 Y586	Y573-F590 HydrophobicContact CE2-CB 3.83Å; Y573-F590 VanDerWaalsContact CE2-O 3.31Å; Y573-F590 WeakPolarHBondContact CE2-O 3.21Å; Y573-F590 PolarHBondContact OH-O 3.47Å; Y586-F590 HydrophobicContact CD1-CB 4.45Å; Y586-F590 HydrophobicContact CD1-CD2 4.41Å; Y586-F590 AromaticContact CD2-CD2 3.3Å; Y586-F590 HydrophobicContact CD2-CD2 3.3Å; Y586-F590 AromaticContact CD2-CE2 3.7Å; Y586-F590 HydrophobicContact CD2-CE2 3.7Å; Y586-F590 HydrophobicContact CD2-CG 4.18Å; Y586-F590 HydrophobicContact CE1-CB 4.07Å; Y586-F590 HydrophobicContact CE1-CD2 4.41Å; Y586-F590 HydrophobicContact CE1-CG 4.47Å; Y586-F590 HydrophobicContact CE2-CB 4.25Å; Y586-F590 AromaticContact CE2-CD2 3.27Å; Y586-F590 HydrophobicContact CE2-CD2 3.27Å; Y586-F590 AromaticContact CE2-CE2 3.71Å; Y586-F590 HydrophobicContact CE2-CE2 3.71Å; Y586-F590 AromaticContact CE2-CG 3.76Å; Y586-F590 HydrophobicContact CE2-CG 3.76Å; Y586-F590 AromaticContact CG-CD2 3.9Å; Y586-F590 HydrophobicContact CG-CD2 3.9Å; Y586-F590 AromaticContact CZ-CD2 3.86Å; Y586-F590 AromaticContact CZ-CG 3.91Å; Y586-F590 PolarHBondContact O-N 2.94Å
591	R	94	Very high	91.7	Very high	218 Å²	218	70.3 Å²	70.3	82%	0.823	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-76.6	134	174.3	-62.6	-173.5	-174.7	-171.1	1.9	110.6	Y573	Y573-R591 VanDerWaalsContact CE2-C 3.43Å; Y573-R591 WeakPolarHBondContact CE2-O 3.13Å
592	P	94.7	Very high	90	Very high	15 Å²	15	63.4 Å²	63.4	10%	0.097	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.8	167.6	169.4	27.8	-34.1	0	0	0	112.1	L553 Y573 Q594 A597 A599	L553-P592 HydrophobicContact CD2-CB 3.91Å; L553-P592 HydrophobicContact CD2-CG 3.91Å; Y573-P592 HydrophobicContact CD1-CB 4.37Å; Y573-P592 HydrophobicContact CD2-CB 4.36Å; Y573-P592 HydrophobicContact CE1-CB 4.18Å; Y573-P592 HydrophobicContact CE2-CB 4.15Å; Y573-P592 HydrophobicContact CG-CB 4.46Å; P592-Q594 PolarHBondContact O-N 2.85Å; P592-A597 HydrophobicContact CB-CB 4.35Å; P592-A597 VanDerWaalsContact CG-O 3.31Å; P592-A597 WeakPolarHBondContact CG-O 3.47Å; P592-A599 HydrophobicContact CG-CB 3.98Å
593	P	94	Very high	88.3	Confident	33 Å²	33	68 Å²	68	21%	0.214	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.1	124.2	174	-12.6	25.8	0	0	0	110.4	E569 N595 A596 A597	E569-P593 HydrophobicContact CB-CB 3.82Å; E569-P593 HydrophobicContact CB-CG 3.81Å; E569-P593 VanDerWaalsContact O-CG 3.27Å; E569-P593 WeakPolarHBondContact O-CG 3.35Å; E569-P593 WeakPolarHBondContact OE2-CB 3.44Å; P593-N595 PolarHBondContact O-N 3.07Å; P593-A596 HydrophobicContact CB-CB 3.97Å; P593-A596 HydrophobicContact CG-CB 4.31Å; P593-A596 PolarHBondContact O-N 3.18Å; P593-A597 PolarHBondContact O-N 3.06Å
594	Q	88.9	Confident	86.5	Confident	161 Å²	161	68.1 Å²	68.1	75%	0.752	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.1	-168.4	-64	175.4	33.1	0	0	113.6	P592 A596	P592-Q594 PolarHBondContact O-N 2.85Å; Q594-A596 VanDerWaalsContact C-N 3.35Å
595	N	88.1	Confident	84.7	Confident	123 Å²	123	71.6 Å²	71.6	66%	0.658	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-18.6	176.3	-54.8	-25.3	0	0	0	112.5	P593	P593-N595 PolarHBondContact O-N 3.07Å
596	A	91.9	Very high	83.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-49.6	-171.9	0	0	0	0	0	112.7	I555 V556 A566 E569 L570 P593 Q594	I555-A596 WeakPolarHBondContact CA-O 3.22Å; I555-A596 VanDerWaalsContact CG1-O 3.32Å; I555-A596 WeakPolarHBondContact CG1-O 3.03Å; V556-A596 PolarHBondContact N-O 3.09Å; A566-A596 HydrophobicContact CB-CB 3.83Å; E569-A596 HydrophobicContact CB-CB 4.02Å; L570-A596 HydrophobicContact CG-CB 4.22Å; P593-A596 HydrophobicContact CB-CB 3.97Å; P593-A596 HydrophobicContact CG-CB 4.31Å; P593-A596 PolarHBondContact O-N 3.18Å; Q594-A596 VanDerWaalsContact C-N 3.35Å
597	A	92.5	Very high	81.5	Confident	2 Å²	2	70.6 Å²	70.6	2%	0.017	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	159.2	-173	0	0	0	0	0	114.1	Q554 L570 P592 P593	Q554-A597 CarbonylContact O-C 3.57Å; Q554-A597 WeakPolarHBondContact O-CA 3.35Å; Q554-A597 WeakPolarHBondContact O-CB 3.38Å; L570-A597 HydrophobicContact CD1-CB 4.44Å; L570-A597 HydrophobicContact CD2-CB 4.09Å; P592-A597 HydrophobicContact CB-CB 4.35Å; P592-A597 VanDerWaalsContact CG-O 3.31Å; P592-A597 WeakPolarHBondContact CG-O 3.47Å; P593-A597 PolarHBondContact O-N 3.06Å
598	V	91.2	Very high	79.7	Confident	80 Å²	80	73.6 Å²	73.6	49%	0.485	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	173.3	179.4	0	0	0	0	109.7	Q554 Q600	Q554-V598 PolarHBondContact N-O 3.17Å; Q554-V598 PolarHBondContact O-N 2.91Å; V598-Q600 PolarHBondContact O-N 3.3Å
599	A	87.8	Confident	78	Confident	21 Å²	21	66.8 Å²	66.8	17%	0.174	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.4	169.2	0	0	0	0	0	108.9	L553 L587 P592	L553-A599 HydrophobicContact CD2-CB 4.06Å; L587-A599 HydrophobicContact CB-CB 4.21Å; L587-A599 HydrophobicContact CD2-CB 4.44Å; P592-A599 HydrophobicContact CG-CB 3.98Å
600	Q	78.1	Confident	76.1	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.089	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-78.2	134.5	-174.9	-62.2	-73.5	-45.4	0	0	110.6	F545 P549 A552 Q554 V598 P604	F545-Q600 HydrophobicContact CE2-CG 3.79Å; F545-Q600 HydrophobicContact CZ-CG 4.01Å; P549-Q600 HydrophobicContact CB-CB 4.33Å; P549-Q600 WeakPolarHBondContact O-CB 3.49Å; A552-Q600 HydrophobicContact CB-CG 4.35Å; A552-Q600 PolarHBondContact O-N 3.36Å; A552-Q600 VanDerWaalsContact O-N 3.15Å; Q554-Q600 HydrophobicContact CB-CG 4.43Å; V598-Q600 PolarHBondContact O-N 3.3Å; Q600-P604 VanDerWaalsContact OE1-CB 3.27Å
601	P	67.3	Low	73.8	Confident	74 Å²	74	63.3 Å²	63.3	48%	0.481	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-67.7	158.9	171.7	31.2	-36.1	0	0	0	110.1	T603 P604	P601-T603 PolarHBondContact O-N 3.22Å; P601-P604 HydrophobicContact CG-CB 4.19Å; P601-P604 WeakPolarHBondContact O-CD 3.47Å
602	A	59.7	Low	71.5	Confident	55 Å²	55	56.1 Å²	56.1	46%	0.455	31%	0.312	S	S	.	.	S	Bend	trans	-59.5	-17.8	-174.4	0	0	0	0	0	115
603	T	60.5	Low	68.8	Low	102 Å²	102	60.4 Å²	60.4	63%	0.626	34%	0.342	S	S	*	.	S	Bend	trans	-134.6	94.8	164.3	39.8	0	0	0	0	107.7	P601	P601-T603 PolarHBondContact O-N 3.22Å
604	P	59.1	Low	65.9	Low	2 Å²	2	64.6 Å²	64.6	1%	0.013	36%	0.362	C	S	.	.			trans	-77.6	139.3	-178.6	33.3	-33.9	0	0	0	110.1	P549 Q600 P601 W606 L607	P549-P604 HydrophobicContact CB-CG 3.96Å; P549-P604 HydrophobicContact CG-CG 4.44Å; Q600-P604 VanDerWaalsContact OE1-CB 3.27Å; P601-P604 HydrophobicContact CG-CB 4.19Å; P601-P604 WeakPolarHBondContact O-CD 3.47Å; P604-W606 HydrophobicContact CG-CZ2 4.47Å; P604-W606 PolarHBondContact O-N 3.4Å; P604-W606 VanDerWaalsContact O-N 3.08Å; P604-L607 HydrophobicContact CG-CB 3.88Å; P604-L607 HydrophobicContact CG-CD1 4.3Å; P604-L607 VanDerWaalsContact O-CB 3.31Å; P604-L607 WeakPolarHBondContact O-CB 3.4Å; P604-L607 PolarHBondContact O-N 3.11Å
605	T	58.6	Low	63.3	Low	93 Å²	93	63 Å²	63	57%	0.571	37%	0.366	S	S	*	.	H	α-helix	trans	-57.9	-33.5	-166.3	-42.2	0	0	0	0	113.4	L607 L608	T605-L607 VanDerWaalsContact C-N 3.29Å; T605-L607 PolarHBondContact O-N 2.93Å; T605-L608 HydrophobicContact CG2-CD1 4.47Å; T605-L608 WeakPolarHBondContact O-CB 3.39Å; T605-L608 PolarHBondContact O-N 3.4Å
606	W	65.8	Low	60.7	Low	51 Å²	51	60.1 Å²	60.1	19%	0.193	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-32.6	177	72	-87.7	0	0	0	112.5	P542 I543 L546 P604 L608 L609 F610	P542-W606 VanDerWaalsContact C-CH2 3.41Å; P542-W606 HydrophobicContact CB-CD2 4.06Å; P542-W606 VanDerWaalsContact CB-CE2 3.43Å; P542-W606 HydrophobicContact CB-CE3 4.31Å; P542-W606 HydrophobicContact CB-CH2 3.52Å; P542-W606 HydrophobicContact CB-CZ2 3.17Å; P542-W606 HydrophobicContact CB-CZ3 4.06Å; P542-W606 WeakPolarHBondContact O-CH2 3.3Å; P542-W606 VanDerWaalsContact O-CZ2 3.27Å; P542-W606 WeakPolarHBondContact O-CZ2 3.5Å; I543-W606 HydrophobicContact CD1-CH2 4.09Å; I543-W606 HydrophobicContact CD1-CZ3 3.77Å; L546-W606 HydrophobicContact CD1-CH2 3.55Å; L546-W606 HydrophobicContact CD1-CZ2 4.35Å; L546-W606 HydrophobicContact CD1-CZ3 4.08Å; P604-W606 HydrophobicContact CG-CZ2 4.47Å; P604-W606 PolarHBondContact O-N 3.4Å; P604-W606 VanDerWaalsContact O-N 3.08Å; W606-L608 VanDerWaalsContact C-N 3.25Å; W606-L608 PolarHBondContact O-N 2.67Å; W606-L609 WeakPolarHBondContact O-CA 3.5Å; W606-L609 VanDerWaalsContact O-CB 3.25Å; W606-L609 WeakPolarHBondContact O-CB 3.49Å; W606-L609 WeakPolarHBondContact O-CG 3.44Å; W606-L609 PolarHBondContact O-N 3.33Å; W606-F610 AromaticContact CE3-CD2 3.53Å; W606-F610 HydrophobicContact CE3-CD2 3.53Å; W606-F610 AromaticContact CE3-CE2 3.6Å; W606-F610 HydrophobicContact CE3-CE2 3.6Å; W606-F610 AromaticContact CZ3-CD2 3.76Å; W606-F610 HydrophobicContact CZ3-CD2 3.76Å; W606-F610 AromaticContact CZ3-CE2 3.88Å; W606-F610 HydrophobicContact CZ3-CE2 3.88Å; W606-F610 HydrophobicContact CZ3-CG 4.4Å; W606-F610 WeakPolarHBondContact O-CD2 3.49Å; W606-F610 PolarHBondContact O-N 2.9Å
607	L	61	Low	57.8	Low	24 Å²	24	68.2 Å²	68.2	13%	0.126	41%	0.408	C	S	.	.	H	α-helix	trans	-69.6	-21.3	177.6	-174.3	152.2	0	0	0	112.5	L546 P549 P604 T605 L609 N611	L546-L607 HydrophobicContact CD1-CD1 3.66Å; L546-L607 HydrophobicContact CD1-CG 4.01Å; L546-L607 HydrophobicContact CG-CD1 4.27Å; P549-L607 HydrophobicContact CG-CD1 4.4Å; P604-L607 HydrophobicContact CG-CB 3.88Å; P604-L607 HydrophobicContact CG-CD1 4.3Å; P604-L607 VanDerWaalsContact O-CB 3.31Å; P604-L607 WeakPolarHBondContact O-CB 3.4Å; P604-L607 PolarHBondContact O-N 3.11Å; T605-L607 VanDerWaalsContact C-N 3.29Å; T605-L607 PolarHBondContact O-N 2.93Å; L607-L609 VanDerWaalsContact C-N 3.31Å; L607-N611 VanDerWaalsContact CD2-ND2 3.29Å; L607-N611 WeakPolarHBondContact CD2-ND2 3.44Å; L607-N611 PolarHBondContact O-N 3.43Å; L607-N611 PolarHBondContact O-ND2 2.9Å; L607-N611 VanDerWaalsContact O-ND2 3.17Å
608	L	57.9	Low	54.9	Low	77 Å²	77	76.3 Å²	76.3	40%	0.403	45%	0.448	S	S	.	.	H	α-helix	trans	-65.5	-37.9	167.6	-57.9	176.5	0	0	0	111	T605 W606 N611 H612	T605-L608 HydrophobicContact CG2-CD1 4.47Å; T605-L608 WeakPolarHBondContact O-CB 3.39Å; T605-L608 PolarHBondContact O-N 3.4Å; W606-L608 VanDerWaalsContact C-N 3.25Å; W606-L608 PolarHBondContact O-N 2.67Å; L608-N611 PolarHBondContact O-N 3.23Å; L608-H612 PolarHBondContact O-CD2 3.11Å
609	L	57.4	Low	52	Low	20 Å²	20	79.7 Å²	79.7	11%	0.105	46%	0.463	C	S	.	.	H	α-helix	trans	-66.9	-45.4	-179.1	-41.7	-179	0	0	0	110.9	L70 A75 A78 I79 W606 L607 N611 H612	L70-L609 HydrophobicContact CD1-CB 4.32Å; L70-L609 HydrophobicContact CD1-CD1 4.47Å; A75-L609 HydrophobicContact CB-CD1 4.38Å; A78-L609 HydrophobicContact CB-CB 4.07Å; A78-L609 HydrophobicContact CB-CD2 3.72Å; A78-L609 HydrophobicContact CB-CG 4.38Å; I79-L609 HydrophobicContact CB-CD2 4.37Å; I79-L609 HydrophobicContact CG1-CD1 4.19Å; I79-L609 HydrophobicContact CG1-CD2 3.56Å; W606-L609 WeakPolarHBondContact O-CA 3.5Å; W606-L609 VanDerWaalsContact O-CB 3.25Å; W606-L609 WeakPolarHBondContact O-CB 3.49Å; W606-L609 WeakPolarHBondContact O-CG 3.44Å; W606-L609 PolarHBondContact O-N 3.33Å; L607-L609 VanDerWaalsContact C-N 3.31Å; L609-N611 VanDerWaalsContact C-N 3.32Å; L609-N611 PolarHBondContact O-N 2.9Å; L609-H612 PolarHBondContact O-N 3.22Å
610	F	53.3	Low	49.3	Very low	69 Å²	69	85.3 Å²	85.3	30%	0.303	50%	0.496	S	S	.	.	H	α-helix	trans	-65.4	-32.3	177.9	-80.1	-92.6	0	0	0	113.1	L70 I543 W606 H612	L70-F610 HydrophobicContact CD1-CE2 4.19Å; L70-F610 HydrophobicContact CD1-CZ 4.48Å; I543-F610 HydrophobicContact CD1-CD1 4.32Å; I543-F610 HydrophobicContact CD1-CE1 4.17Å; I543-F610 HydrophobicContact CD1-CZ 4.48Å; W606-F610 AromaticContact CE3-CD2 3.53Å; W606-F610 HydrophobicContact CE3-CD2 3.53Å; W606-F610 AromaticContact CE3-CE2 3.6Å; W606-F610 HydrophobicContact CE3-CE2 3.6Å; W606-F610 AromaticContact CZ3-CD2 3.76Å; W606-F610 HydrophobicContact CZ3-CD2 3.76Å; W606-F610 AromaticContact CZ3-CE2 3.88Å; W606-F610 HydrophobicContact CZ3-CE2 3.88Å; W606-F610 HydrophobicContact CZ3-CG 4.4Å; W606-F610 WeakPolarHBondContact O-CD2 3.49Å; W606-F610 PolarHBondContact O-N 2.9Å; F610-H612 VanDerWaalsContact C-N 3.26Å; F610-H612 PolarHBondContact O-N 3.46Å
611	N	48.8	Very low	47.3	Very low	90 Å²	90	92.9 Å²	92.9	48%	0.481	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-73.3	-9.6	176.3	-84	-41.1	0	0	0	114.7	L607 L608 L609 S613	L607-N611 VanDerWaalsContact CD2-ND2 3.29Å; L607-N611 WeakPolarHBondContact CD2-ND2 3.44Å; L607-N611 PolarHBondContact O-N 3.43Å; L607-N611 PolarHBondContact O-ND2 2.9Å; L607-N611 VanDerWaalsContact O-ND2 3.17Å; L608-N611 PolarHBondContact O-N 3.23Å; L609-N611 VanDerWaalsContact C-N 3.32Å; L609-N611 PolarHBondContact O-N 2.9Å; N611-S613 VanDerWaalsContact C-N 3.31Å; N611-S613 PolarHBondContact O-N 2.9Å
612	H	44.5	Very low	45.8	Very low	68 Å²	68	97.6 Å²	97.6	32%	0.315	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-81	-4.8	-177.8	-77.9	-42.7	0	0	0	115.1	A82 L608 L609 F610 L614	A82-H612 WeakPolarHBondContact CB-NE2 3.39Å; L608-H612 PolarHBondContact O-CD2 3.11Å; L609-H612 PolarHBondContact O-N 3.22Å; F610-H612 VanDerWaalsContact C-N 3.26Å; F610-H612 PolarHBondContact O-N 3.46Å; H612-L614 PolarHBondContact O-N 3.26Å
613	S	38.8	Very low	44.6	Very low	104 Å²	104	102.1 Å²	102.1	73%	0.727	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-77.3	13.5	172.8	-59	0	0	0	0	114.8	N611 P615	N611-S613 VanDerWaalsContact C-N 3.31Å; N611-S613 PolarHBondContact O-N 2.9Å; S613-P615 WeakPolarHBondContact O-CD 3.49Å
614	L	32.5	Very low	43.7	Very low	122 Å²	122	103.4 Å²	103.4	64%	0.639	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-94.1	116.5	177.7	-72.8	171.7	0	0	0	111.5	H612 G616	H612-L614 PolarHBondContact O-N 3.26Å; L614-G616 PolarHBondContact O-N 3.49Å
615	P	33.6	Very low	42.7	Very low	128 Å²	128	112.6 Å²	112.6	83%	0.831	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-61.7	117.3	162.1	-17	31.2	0	0	0	108.7	S613	S613-P615 WeakPolarHBondContact O-CD 3.49Å
616	G	33.6	Very low	41.5	Very low	61 Å²	61	112.2 Å²	112.2	63%	0.629	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.7	168.8	-171.9	0	0	0	0	0	114.6	L614 M618	L614-G616 PolarHBondContact O-N 3.49Å; G616-M618 PolarHBondContact O-N 2.88Å
617	D	30.9	Very low	39.8	Very low	170 Å²	170	113.6 Å²	113.6	91%	0.909	67%	0.668	S	S	*	*			trans	-56.2	100.6	171.9	-75.2	-61.3	0	0	0	111.8
618	M	31.6	Very low	38.5	Very low	173 Å²	173	121.8 Å²	121.8	85%	0.852	71%	0.706	S	S	*	*			trans	-126.9	75.1	171.4	-88.8	-68.4	-176.1	0	0	109.6	G616	G616-M618 PolarHBondContact O-N 2.88Å
619	N	30.6	Very low	37.6	Very low	150 Å²	150	126.4 Å²	126.4	80%	0.802	73%	0.73	S	S	*	*			trans	-140.1	50.2	176.9	-82.9	-57.2	0	0	0	111.1
620	T	31.9	Very low	36.7	Very low	140 Å²	140	134.5 Å²	134.5	86%	0.859	77%	0.768	S	S	*	*			trans	-166.6	75.4	162.3	3.3	0	0	0	0	113.2
621	L	35.3	Very low	35.9	Very low	177 Å²	177	139.2 Å²	139.2	93%	0.927	80%	0.796	S	S	*	*			trans	-167.5	108.4	149.2	-112.8	147.5	0	0	0	109.3
622	E	35.8	Very low	35.5	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	81%	0.813	S	S	*	*			trans	-90.6	162	173	-65.9	177.2	129.1	0	0	110.1
623	D	35.9	Very low	35.1	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	84%	0.84	S	S	*	*			trans	56.1	100.4	161.6	-56.7	-18.6	0	0	0	119.6
624	S	40.8	Very low	34.8	Very low	129 Å²	129	149.1 Å²	149.1	90%	0.902	84%	0.842	S	S	*	*				-170.3	154.8	118.8	-80.8	0	0	0	0	113.9
625	E	38.7	Very low	34.7	Very low	196 Å²	196	148.1 Å²	148.1	92%	0.916	85%	0.85	S	S	*	*			trans	-61	133.1	-164.3	-59.7	170.5	117.9	0	0	117.7
626	G	32.4	Very low	34.7	Very low	84 Å²	84	146.8 Å²	146.8	87%	0.866	84%	0.84	S	S	*	*			trans	30.8	122.5	134.1	0	0	0	0	0	122.6
627	G	31.1	Very low	34.6	Very low	81 Å²	81	151.3 Å²	151.3	84%	0.835	85%	0.85	S	S	*	*			trans	-159.9	118	157.7	0	0	0	0	0	111.5
628	E	33.3	Very low	34.6	Very low	196 Å²	196	152.8 Å²	152.8	92%	0.916	84%	0.844	S	S	*	*			trans	-94.9	127.8	174.8	-63	174.6	148.2	0	0	109.7
629	L	38.9	Very low	34.7	Very low	174 Å²	174	152.1 Å²	152.1	91%	0.911	84%	0.838	S	S	*	*			trans	-146.5	157.4	161.4	-80.8	-175.7	0	0	0	109.5
630	E	37.6	Very low	34.9	Very low	190 Å²	190	152.8 Å²	152.8	89%	0.888	84%	0.842	S	S	*	*			trans	-94.7	158.5	-155.6	-60.4	166.1	131.6	0	0	113.7
631	D	37.2	Very low	35.1	Very low	167 Å²	167	153.1 Å²	153.1	89%	0.893	83%	0.834	S	S	*	*			trans	-75.5	137.2	177.2	-62	-70.9	0	0	0	112.3
632	D	40.8	Very low	34.9	Very low	157 Å²	157	152.5 Å²	152.5	84%	0.84	83%	0.831	S	S	*	*			trans	-122.6	114.1	171.4	-111.4	-33.8	0	0	0	109.4	I634	D632-I634 PolarHBondContact O-N 3.19Å
633	D	35	Very low	34.6	Very low	167 Å²	167	149.2 Å²	149.2	89%	0.893	83%	0.834	S	S	*	*			trans	-69.7	109	-176.5	-86.8	-49.4	0	0	0	112.8	A635	D633-A635 PolarHBondContact O-N 3.49Å
634	I	34.3	Very low	34.3	Very low	147 Å²	147	147.9 Å²	147.9	75%	0.754	83%	0.831	S	S	*	*			trans	-96.3	81.1	170.2	-52.2	-176.3	0	0	0	110.3	D632 V636	D632-I634 PolarHBondContact O-N 3.19Å; I634-V636 HydrophobicContact CG2-CG2 3.84Å; I634-V636 PolarHBondContact O-N 2.86Å
635	A	30.1	Very low	33.8	Very low	100 Å²	100	147 Å²	147	83%	0.826	82%	0.815	S	S	*	*			trans	-72.9	106.8	170.6	0	0	0	0	0	111.1	D633	D633-A635 PolarHBondContact O-N 3.49Å
636	V	33.3	Very low	33.4	Very low	101 Å²	101	142.4 Å²	142.4	61%	0.612	81%	0.805	S	S	*	*			trans	-98.9	103.9	178.8	-167.2	0	0	0	0	110.5	I634 Y638	I634-V636 HydrophobicContact CG2-CG2 3.84Å; I634-V636 PolarHBondContact O-N 2.86Å; V636-Y638 HydrophobicContact CG1-CD2 3.7Å; V636-Y638 HydrophobicContact CG1-CE2 3.48Å; V636-Y638 VanDerWaalsContact CG1-CE2 3.48Å
637	N	31.4	Very low	33.4	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	79%	0.79	S	S	*	*			trans	-85.9	116.4	-179.6	-147.3	20.4	0	0	0	110.1
638	Y	31.1	Very low	33.3	Very low	202 Å²	202	146.6 Å²	146.6	79%	0.792	79%	0.787	S	S	*	*			trans	-117.4	145.4	174	-90.8	-74.3	0	0	0	110.7	V636	V636-Y638 HydrophobicContact CG1-CD2 3.7Å; V636-Y638 HydrophobicContact CG1-CE2 3.48Å; V636-Y638 VanDerWaalsContact CG1-CE2 3.48Å
639	H	34.1	Very low	33.1	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.736	78%	0.781	S	S	*	*			trans	-86.2	141.4	-171.8	-87.3	-99.1	0	0	0	113.6	E641	H639-E641 HydrophobicContact CB-CG 4.12Å; H639-E641 PolarHBondContact O-N 3.25Å
640	D	34.3	Very low	32.5	Very low	163 Å²	163	143.6 Å²	143.6	87%	0.872	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	68.7	-179.8	-70.5	-57.6	0	0	0	113.8
641	E	36.6	Very low	32.2	Very low	148 Å²	148	140.4 Å²	140.4	69%	0.692	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	-26.3	-176.9	-43.6	-70.1	163.8	0	0	115.3	H639	H639-E641 HydrophobicContact CB-CG 4.12Å; H639-E641 PolarHBondContact O-N 3.25Å
642	D	31.1	Very low	31.8	Very low	163 Å²	163	139.4 Å²	139.4	87%	0.872	76%	0.757	S	S	*	*			trans	-106.9	11.9	-164.4	-82.1	-48.6	0	0	0	116.3	V644	D642-V644 PolarHBondContact O-N 3.24Å
643	A	27.9	Very low	31.5	Very low	105 Å²	105	139.1 Å²	139.1	87%	0.868	75%	0.75	S	S	*	*			trans	-84.2	59.8	-170.5	0	0	0	0	0	115.4
644	V	29.8	Very low	31.3	Very low	122 Å²	122	137.9 Å²	137.9	74%	0.739	74%	0.743	S	S	*	*			trans	-130.3	96	-179.8	-172.9	0	0	0	0	114	D642	D642-V644 PolarHBondContact O-N 3.24Å
645	L	30.1	Very low	31.1	Very low	109 Å²	109	141.4 Å²	141.4	57%	0.571	75%	0.747	S	S	*	*			trans	-150	89	140.3	-85.8	-163.5	0	0	0	110.8	F249	F249-L645 HydrophobicContact CD1-CD2 4.04Å; F249-L645 HydrophobicContact CE1-CD2 3.84Å
646	S	30.5	Very low	31	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	76%	0.763	S	S	*	*			trans	-73	-172.1	169.6	-120.2	0	0	0	0	112.4
647	P	33.8	Very low	30.9	Very low	84 Å²	84	151.8 Å²	151.8	55%	0.545	77%	0.771	S	S	.	*			cis	-134.5	167.9	-15.5	26.1	-4.3	0	0	0	114.6
648	H	27.7	Very low	30.9	Very low	168 Å²	168	151.6 Å²	151.6	78%	0.778	77%	0.768	S	S	*	*				163.6	65	120.9	-90.8	-71.2	0	0	0	113.1
649	Y	29	Very low	30.9	Very low	200 Å²	200	148.8 Å²	148.8	78%	0.784	77%	0.766	S	S	*	*			trans	-112.4	103.6	149.9	-103.8	-98	0	0	0	107.7	L651	Y649-L651 PolarHBondContact O-N 2.98Å
650	S	27.3	Very low	30.7	Very low	107 Å²	107	148.2 Å²	148.2	75%	0.748	77%	0.768	S	S	*	*			trans	-81.4	66.5	177.1	-160.3	0	0	0	0	110.3	N652	S650-N652 PolarHBondContact O-N 3.21Å; S650-N652 VanDerWaalsContact O-N 3.07Å
651	L	31.7	Very low	30.4	Very low	124 Å²	124	147.3 Å²	147.3	65%	0.649	76%	0.762	S	S	*	*			trans	-71.3	99.1	172.6	-85.2	168.8	0	0	0	109.2	Y649 H653	Y649-L651 PolarHBondContact O-N 2.98Å; L651-H653 PolarHBondContact O-N 3.16Å
652	N	28.4	Very low	30	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	77%	0.766	S	S	*	*			trans	-71.2	54.6	168	-98.9	-36.8	0	0	0	111.7	S650 N654	S650-N652 PolarHBondContact O-N 3.21Å; S650-N652 VanDerWaalsContact O-N 3.07Å; N652-N654 VanDerWaalsContact C-N 3.3Å; N652-N654 PolarHBondContact O-N 3.08Å; N652-N654 VanDerWaalsContact O-N 3.16Å
653	H	34.1	Very low	29.9	Very low	151 Å²	151	146.1 Å²	146.1	70%	0.699	76%	0.759	S	S	*	*			trans	-85.5	71.9	168.6	-88.6	-44.7	0	0	0	111	L651	L651-H653 PolarHBondContact O-N 3.16Å
654	N	31.4	Very low	30.1	Very low	141 Å²	141	149.2 Å²	149.2	75%	0.754	75%	0.75	S	S	*	*			trans	-83.8	108	154.2	-97.9	-60.7	0	0	0	108.4	N652	N652-N654 VanDerWaalsContact C-N 3.3Å; N652-N654 PolarHBondContact O-N 3.08Å; N652-N654 VanDerWaalsContact O-N 3.16Å
655	R	28.5	Very low	30.1	Very low	220 Å²	220	151.5 Å²	151.5	83%	0.83	75%	0.751	S	S	*	*			trans	68.2	112.7	-176.7	-48	169.2	179.5	171.8	-2.3	112.1
656	F	29.2	Very low	30.1	Very low	267 Å²	267	155.4 Å²	155.4	100%	1.171	77%	0.768	S	S	*	*			cis	-142.7	0	47.8	-111.5	-85.5	0	0	0	113.5

Retrieved 656 of 656 residues in 515.7 ms (Link to these results)

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