A0A087XCJ0_POEFO Loading...

5'-nucleotidase domain containing 3

AlphaFold DB , UniProt , Accession A0A087XCJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 583 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	32.6	Very low	27.5	Very low	239 Å²	239	148.6 Å²	148.6	100%	1.177	85%	0.849	S	S	*	*				0	91.4	0	-73.7	-178.9	171	0	0	106.8
2	A	27.2	Very low	27.3	Very low	98 Å²	98	142.7 Å²	142.7	81%	0.81	83%	0.831	S	S	*	*				74.2	114	101.9	0	0	0	0	0	112.9
3	P	41.3	Very low	27.2	Very low	116 Å²	116	149.2 Å²	149.2	75%	0.753	83%	0.833	S	S	*	*			trans	-110	179	-176.7	41.5	-32.4	0	0	0	113.9
4	L	27.7	Very low	27.1	Very low	164 Å²	164	150.9 Å²	150.9	86%	0.859	83%	0.831	S	S	*	*			trans	74.3	124.5	160.4	-66.4	161	0	0	0	119.1
5	S	25.9	Very low	26.9	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	82%	0.821	S	S	*	*				168.1	135	110.1	54.1	0	0	0	0	111.6
6	R	24.5	Very low	26.7	Very low	255 Å²	255	150.4 Å²	150.4	96%	0.962	82%	0.823	S	S	*	*			trans	-164.2	114.9	133.4	-107.5	172.4	-174.3	-161.1	1.3	110.1
7	S	23.1	Very low	26.4	Very low	111 Å²	111	147.8 Å²	147.8	78%	0.776	82%	0.817	S	S	*	*			trans	-112.5	132.4	166.8	169	0	0	0	0	108
8	L	26.1	Very low	26.2	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	82%	0.816	S	S	*	*			trans	0.6	136.6	153.4	-66.6	153.1	0	0	0	119.6
9	S	23.9	Very low	26	Very low	118 Å²	118	151.4 Å²	151.4	83%	0.825	82%	0.815	S	S	*	*				174.9	132.4	111.4	62.1	0	0	0	0	113.1
10	S	23.4	Very low	25.9	Very low	104 Å²	104	154.8 Å²	154.8	73%	0.727	82%	0.816	S	S	*	*				-161.6	110.9	127.8	69.1	0	0	0	0	112.9
11	L	26.3	Very low	25.9	Very low	159 Å²	159	153.2 Å²	153.2	83%	0.832	81%	0.812	S	S	*	*			trans	55.2	113.1	134.7	-74.1	118.7	0	0	0	119.4
12	A	25.1	Very low	25.4	Very low	77 Å²	77	145.1 Å²	145.1	64%	0.636	79%	0.789	S	S	*	*				73.2	131.5	85.3	0	0	0	0	0	112.3
13	R	26.1	Very low	25.2	Very low	228 Å²	228	146.1 Å²	146.1	86%	0.86	79%	0.785	S	S	*	*			cis	-166	150.5	7.5	-96.2	162.4	-157.3	-165.9	5.9	105.8
14	H	25.8	Very low	24.3	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.796	79%	0.792	S	S	*	*			trans	21	138.4	139.7	-74.6	-91.1	0	0	0	118.8
15	T	24.3	Very low	24.1	Very low	111 Å²	111	153.6 Å²	153.6	68%	0.681	79%	0.793	S	S	*	*				178.8	142.7	53	-8.9	0	0	0	0	109.1
16	E	23.3	Very low	23.9	Very low	183 Å²	183	152.5 Å²	152.5	86%	0.855	79%	0.785	S	S	*	*			trans	56.3	140.2	136.2	-126.7	166.3	-169	0	0	125
17	C	21.9	Very low	23.8	Very low	106 Å²	106	149.5 Å²	149.5	72%	0.716	78%	0.78	S	S	*	*			trans	108.5	98	140.4	-139.8	0	0	0	0	119.9
18	L	23.7	Very low	23.9	Very low	154 Å²	154	152.3 Å²	152.3	81%	0.806	79%	0.785	S	S	*	*				36.7	136.3	123.8	-72.5	158.4	0	0	0	122
19	R	22.8	Very low	23.8	Very low	210 Å²	210	150 Å²	150	79%	0.792	78%	0.78	S	S	*	*			trans	107.1	124.4	138.3	-88.6	-179.8	175.1	-173.9	1.1	120
20	R	23.8	Very low	23.7	Very low	220 Å²	220	150.8 Å²	150.8	83%	0.83	78%	0.775	S	S	*	*			trans	77.2	146.2	142.4	-71.6	-171.5	161.6	-178.5	-4.6	117.3
21	V	24.5	Very low	23.8	Very low	121 Å²	121	153.5 Å²	153.5	73%	0.733	78%	0.776	S	S	*	*			cis	-170.6	143.9	-1.8	135.9	0	0	0	0	107.6
22	G	22.8	Very low	23.9	Very low	69 Å²	69	150.5 Å²	150.5	71%	0.711	77%	0.766	S	S	*	*			trans	70.8	155.8	142.9	0	0	0	0	0	119.5
23	V	23.2	Very low	23.7	Very low	120 Å²	120	157.3 Å²	157.3	73%	0.727	78%	0.781	S	S	*	*			cis	-163.3	138.2	9.8	168.1	0	0	0	0	105.8
24	F	22.7	Very low	23.5	Very low	203 Å²	203	158 Å²	158	89%	0.89	78%	0.784	S	S	*	*				176.2	124.9	123.5	-105.4	-81.7	0	0	0	112.5
25	R	23.1	Very low	23.3	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	79%	0.787	S	S	*	*			trans	-64.7	168.8	168	-73.6	172	161.4	-179	-5.5	110.4
26	S	22.3	Very low	23.3	Very low	88 Å²	88	153.5 Å²	153.5	62%	0.615	78%	0.784	S	S	*	*			cis	-174.2	155.2	25.5	18.9	0	0	0	0	105.6
27	F	21.6	Very low	23.2	Very low	192 Å²	192	156.3 Å²	156.3	84%	0.842	79%	0.787	S	S	*	*				177.6	131.8	86.5	-98.5	-87.1	0	0	0	108.7
28	L	24.4	Very low	23.2	Very low	171 Å²	171	161.3 Å²	161.3	90%	0.895	79%	0.791	S	S	*	*			trans	171.2	152.4	133.7	-88.9	165.3	0	0	0	109.6
29	P	25	Very low	23.3	Very low	112 Å²	112	163.7 Å²	163.7	73%	0.727	80%	0.795	S	S	*	*			trans	-102.9	142.3	-148.5	36.1	-29.2	0	0	0	116
30	N	21.5	Very low	23.3	Very low	134 Å²	134	163.9 Å²	163.9	72%	0.717	80%	0.796	S	S	*	*			trans	1.1	143.6	134.4	-76.5	-10	0	0	0	117.6
31	H	26.5	Very low	23.3	Very low	161 Å²	161	161.3 Å²	161.3	75%	0.745	80%	0.798	S	S	*	*			cis	-175.2	-176.6	41.3	-128.1	-27.5	0	0	0	111.2
32	P	26.8	Very low	23.2	Very low	96 Å²	96	165.7 Å²	165.7	62%	0.623	81%	0.808	S	S	*	*				-120.2	170.8	-107.9	42	-26.7	0	0	0	115.5
33	F	21.8	Very low	23.2	Very low	219 Å²	219	171.7 Å²	171.7	96%	0.961	82%	0.815	S	S	*	*			trans	-126	131.9	153.4	-97.3	-84.8	0	0	0	112
34	R	22.6	Very low	23.3	Very low	243 Å²	243	170.9 Å²	170.9	92%	0.917	82%	0.82	S	S	*	*			trans	-60.6	135.4	-173.7	-73.9	172.3	164.3	-166.7	-4.7	112.9
35	C	21.2	Very low	23.3	Very low	128 Å²	128	167.1 Å²	167.1	87%	0.865	81%	0.814	S	S	*	*			trans	-93.2	110.2	162.2	-142.1	0	0	0	0	108.4
36	G	23.1	Very low	23.4	Very low	60 Å²	60	161.8 Å²	161.8	62%	0.619	81%	0.812	S	S	*	*			trans	-99.4	113.9	175.8	0	0	0	0	0	110.4	W38	G36-W38 PolarHBondContact O-N 2.85Å
37	W	21.8	Very low	23.4	Very low	242 Å²	242	163 Å²	163	92%	0.917	82%	0.82	S	S	*	*			trans	-67.8	124.2	168.6	-76.6	21.6	0	0	0	110.1
38	W	21.8	Very low	23.5	Very low	212 Å²	212	157.5 Å²	157.5	80%	0.803	82%	0.816	S	S	*	*			trans	-126.6	106.2	163.8	-75.1	80.3	0	0	0	109.2	G36	G36-W38 PolarHBondContact O-N 2.85Å
39	K	25	Very low	23.5	Very low	204 Å²	204	153.5 Å²	153.5	89%	0.887	82%	0.816	S	S	*	*			trans	-62.2	127	156.9	-81.8	178.9	172.5	179.5	0	108
40	R	24.3	Very low	23.4	Very low	214 Å²	214	153.2 Å²	153.2	81%	0.808	82%	0.824	S	S	*	*			trans	-133.8	132.5	161.2	-88.8	-174.7	168.1	166.8	-3.4	110.8
41	N	23.3	Very low	23.7	Very low	165 Å²	165	150.1 Å²	150.1	88%	0.882	82%	0.823	S	S	*	*			trans	-60.1	135.7	-176.8	-70.2	-37.6	0	0	0	112.5	K43	N41-K43 PolarHBondContact O-N 2.64Å
42	F	22.6	Very low	23.8	Very low	214 Å²	214	145.6 Å²	145.6	94%	0.939	81%	0.807	S	S	*	*			trans	-76.7	116	163.8	-87.7	-91.3	0	0	0	109.6
43	K	22	Very low	24	Very low	195 Å²	195	146.2 Å²	146.2	85%	0.848	80%	0.801	S	S	*	*			trans	-111.1	124.6	152.6	-93	-174.5	173.9	-177.1	0	106.9	N41	N41-K43 PolarHBondContact O-N 2.64Å
44	A	25.5	Very low	24.6	Very low	103 Å²	103	138.5 Å²	138.5	85%	0.851	77%	0.773	S	S	*	*			trans	-63	130	177	0	0	0	0	0	110.6
45	V	22.2	Very low	25.1	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	76%	0.759	S	S	*	*			trans	-130.3	115.9	164	177.5	0	0	0	0	106.9
46	S	26	Very low	25.8	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	73%	0.732	S	S	*	*			trans	-70.3	119.8	169.8	159.2	0	0	0	0	109
47	C	22.7	Very low	26.4	Very low	115 Å²	115	130.4 Å²	130.4	78%	0.777	72%	0.722	S	S	*	*			trans	-131.1	119.5	165.3	-73.5	0	0	0	0	109
48	G	22.6	Very low	26.8	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	72%	0.717	S	S	*	*			trans	-64.7	152.6	-173.6	0	0	0	0	0	113.9
49	G	24.6	Very low	27.3	Very low	87 Å²	87	128.2 Å²	128.2	90%	0.897	72%	0.721	S	S	*	*			trans	-68.2	137.8	178.2	0	0	0	0	0	112.2
50	A	24.5	Very low	27.6	Very low	107 Å²	107	120.8 Å²	120.8	88%	0.884	70%	0.702	S	S	*	*			trans	-119	104.8	167.5	0	0	0	0	0	107.4
51	G	26.3	Very low	28	Very low	68 Å²	68	113.2 Å²	113.2	70%	0.701	69%	0.685	S	S	*	*			trans	-88.3	160.9	175	0	0	0	0	0	112.5
52	V	29.2	Very low	28.4	Very low	67 Å²	67	112 Å²	112	41%	0.406	67%	0.672	S	S	.	*			trans	-66.6	134.9	-172.4	179	0	0	0	0	111.8	Q545	V52-Q545 WeakPolarHBondContact CG2-O 3.24Å
53	Q	31.8	Very low	29	Very low	108 Å²	108	107.9 Å²	107.9	51%	0.505	66%	0.66	S	S	.	*			trans	-121.4	117.6	178.8	-78	-172.6	-19.5	0	0	112.2	P549	Q53-P549 WeakPolarHBondContact O-CG 3.36Å
54	P	32.8	Very low	29.7	Very low	57 Å²	57	102.3 Å²	102.3	37%	0.37	64%	0.644	S	S	.	*			trans	-106	136	163.2	4.9	16.1	0	0	0	113.3	L56	P54-L56 PolarHBondContact O-N 2.88Å
55	L	34.5	Very low	30.2	Very low	116 Å²	116	100.8 Å²	100.8	61%	0.607	63%	0.632	S	S	*	*	S	Bend	trans	55.4	-1.9	149.7	-82.9	156.4	0	0	0	123.3	W551	L55-W551 HydrophobicContact CD1-CH2 4.31Å; L55-W551 HydrophobicContact CD1-CZ2 3.71Å; L55-W551 HydrophobicContact CD2-CH2 4.33Å; L55-W551 HydrophobicContact CD2-CZ2 3.95Å; L55-W551 HydrophobicContact CG-CZ2 3.82Å
56	L	35.3	Very low	30.8	Very low	59 Å²	59	98.8 Å²	98.8	31%	0.309	63%	0.629	S	S	.	*			trans	-121.7	72.7	167.8	-86.6	160	0	0	0	111.2	P54 Q92 T93 I96	P54-L56 PolarHBondContact O-N 2.88Å; L56-Q92 HydrophobicContact CD2-CB 4.32Å; L56-T93 HydrophobicContact CD1-CG2 4.1Å; L56-I96 HydrophobicContact CD1-CD1 4.13Å; L56-I96 HydrophobicContact CD2-CD1 4.43Å; L56-I96 HydrophobicContact CG-CD1 4.26Å
57	Q	34.9	Very low	31.3	Very low	87 Å²	87	96.7 Å²	96.7	41%	0.407	61%	0.614	S	S	.	*			trans	-123.1	54.9	161.2	-156.9	167	98.5	0	0	110
58	Q	31.8	Very low	32.4	Very low	172 Å²	172	96.3 Å²	96.3	80%	0.804	61%	0.607	S	S	*	*	S	Bend	trans	-70.5	142.5	143.7	-71.2	-160.9	-4.5	0	0	107.6	G60	Q58-G60 PolarHBondContact O-N 3.22Å
59	R	30.7	Very low	33.2	Very low	236 Å²	236	98 Å²	98	89%	0.891	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.3	0.4	-167.2	-85.9	172.2	167.6	174.4	-2.9	119.5
60	G	32.1	Very low	33.8	Very low	47 Å²	47	97.7 Å²	97.7	49%	0.485	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-41.9	179.7	0	0	0	0	0	115.4	Q58 K62 N63	Q58-G60 PolarHBondContact O-N 3.22Å; G60-K62 PolarHBondContact O-N 2.99Å; G60-N63 PolarHBondContact O-N 3.38Å
61	A	32.3	Very low	34.8	Very low	56 Å²	56	98.5 Å²	98.5	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-76.2	-26.8	-166.9	0	0	0	0	0	115.2	N63 C64	A61-N63 PolarHBondContact O-N 2.72Å; A61-C64 PolarHBondContact O-N 3.33Å
62	K	32.7	Very low	35.5	Very low	139 Å²	139	99.1 Å²	99.1	60%	0.604	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-24.5	174.9	-86.5	178	175	159.7	0	112.5	G60	G60-K62 PolarHBondContact O-N 2.99Å
63	N	33.4	Very low	36.4	Very low	127 Å²	127	101.6 Å²	101.6	68%	0.679	61%	0.605	S	S	*	*	H	α-helix	trans	-79	-21.9	176.2	-71.5	-9.6	0	0	0	112.7	G60 A61	G60-N63 PolarHBondContact O-N 3.38Å; A61-N63 PolarHBondContact O-N 2.72Å
64	C	37.8	Very low	37.5	Very low	78 Å²	78	101.6 Å²	101.6	53%	0.527	61%	0.608	S	S	.	*	H	α-helix	trans	-81.7	-27	179.8	-61.4	0	0	0	0	113.5	A61 A66 S67	A61-C64 PolarHBondContact O-N 3.33Å; C64-A66 VanDerWaalsContact C-N 3.34Å; C64-S67 PolarHBondContact O-OG 2.88Å
65	A	36.3	Very low	38.6	Very low	72 Å²	72	100.8 Å²	100.8	60%	0.595	61%	0.61	S	S	*	*	H	α-helix	trans	-74.2	-26.1	177.1	0	0	0	0	0	112.7	S67 V68	A65-S67 VanDerWaalsContact C-N 3.28Å; A65-S67 PolarHBondContact O-N 2.89Å; A65-V68 WeakPolarHBondContact O-CG2 3.45Å
66	A	34.3	Very low	39.8	Very low	82 Å²	82	102 Å²	102	68%	0.678	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-12.5	178.6	0	0	0	0	0	113.7	C64	C64-A66 VanDerWaalsContact C-N 3.34Å
67	S	37.4	Very low	41.8	Very low	75 Å²	75	101.7 Å²	101.7	52%	0.524	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	3.8	177	57.6	0	0	0	0	114.1	C64 A65 S69	C64-S67 PolarHBondContact O-OG 2.88Å; A65-S67 VanDerWaalsContact C-N 3.28Å; A65-S67 PolarHBondContact O-N 2.89Å; S67-S69 VanDerWaalsContact C-N 3.29Å; S67-S69 PolarHBondContact O-N 3.09Å
68	V	44.6	Very low	44	Very low	107 Å²	107	99.3 Å²	99.3	65%	0.648	61%	0.607	S	S	*	*	S	Bend	trans	-81	-6.7	-175.1	-175.5	0	0	0	0	112.9	A65	A65-V68 WeakPolarHBondContact O-CG2 3.45Å
69	S	39	Very low	46.6	Very low	111 Å²	111	92.5 Å²	92.5	78%	0.776	58%	0.577	S	S	*	*			trans	-111.9	63.3	177.7	59.4	0	0	0	0	112.2	S67	S67-S69 VanDerWaalsContact C-N 3.29Å; S67-S69 PolarHBondContact O-N 3.09Å
70	S	38.6	Very low	49.3	Very low	81 Å²	81	87.7 Å²	87.7	57%	0.566	57%	0.565	S	S	*	*			trans	-137.2	121.3	158.6	60.8	0	0	0	0	110.6
71	S	45.2	Very low	51.9	Low	123 Å²	123	91 Å²	91	86%	0.86	56%	0.563	S	S	*	*			trans	-66.2	124.8	177.4	51.3	0	0	0	0	111.4
72	S	40.3	Very low	54.6	Low	82 Å²	82	89 Å²	89	57%	0.573	54%	0.544	S	S	*	.			trans	-155.1	138.8	147.7	55.5	0	0	0	0	111.6	D74	S72-D74 PolarHBondContact O-N 2.87Å
73	S	49.1	Very low	57.5	Low	118 Å²	118	87.2 Å²	87.2	83%	0.825	53%	0.533	S	S	*	.			trans	-68.6	92.8	174.4	48.6	0	0	0	0	111.3
74	D	54.1	Low	60.3	Low	108 Å²	108	84.9 Å²	84.9	58%	0.578	53%	0.527	S	S	*	.			trans	-166.2	122.7	148.2	-119.5	-24.9	0	0	0	110.4	S72 Q76 D77	S72-D74 PolarHBondContact O-N 2.87Å; D74-Q76 PolarHBondContact O-N 2.75Å; D74-D77 PolarHBondContact O-N 3.2Å
75	G	55.9	Low	62.9	Low	40 Å²	40	84.1 Å²	84.1	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-20.9	179.4	0	0	0	0	0	113.3	T79	G75-T79 PolarHBondContact O-N 3.32Å; G75-T79 PolarHBondContact O-OG1 3.07Å
76	Q	60.2	Low	65.6	Low	141 Å²	141	81.9 Å²	81.9	66%	0.659	50%	0.496	S	S	*	.	H	α-helix	trans	-71.3	-44.5	177.9	-74.2	179.8	-20.7	0	0	112.3	D74 A78 T79 E80	D74-Q76 PolarHBondContact O-N 2.75Å; Q76-A78 VanDerWaalsContact C-N 3.32Å; Q76-A78 PolarHBondContact O-N 2.73Å; Q76-T79 PolarHBondContact O-N 3.49Å; Q76-T79 PolarHBondContact O-OG1 3.08Å; Q76-E80 PolarHBondContact O-N 3.17Å; Q76-E80 VanDerWaalsContact O-N 3.12Å
77	D	76.9	Confident	68.5	Low	53 Å²	53	81.2 Å²	81.2	28%	0.283	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-36.8	179.5	-178.8	22.9	0	0	0	111.9	D74 R81	D74-D77 PolarHBondContact O-N 3.2Å; D77-R81 VanDerWaalsContact O-CG 3.24Å; D77-R81 WeakPolarHBondContact O-CG 3.25Å; D77-R81 PolarHBondContact O-N 3.47Å; D77-R81 IonicContact OD1-CZ 3.52Å; D77-R81 IonicContact OD1-NE 3.09Å; D77-R81 PolarHBondContact OD1-NE 2.88Å; D77-R81 IonicContact OD1-NH2 3.35Å; D77-R81 PolarHBondContact OD1-NH2 2.91Å; D77-R81 IonicContact OD2-CZ 3.36Å; D77-R81 IonicContact OD2-NE 2.97Å; D77-R81 IonicContact OD2-NH2 2.69Å; D77-R81 PolarHBondContact OD2-NH2 3.21Å
78	A	81	Confident	71.1	Confident	37 Å²	37	81 Å²	81	31%	0.306	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-44.4	176.1	0	0	0	0	0	112.5	Q76 R81 L82	Q76-A78 VanDerWaalsContact C-N 3.32Å; Q76-A78 PolarHBondContact O-N 2.73Å; A78-R81 PolarHBondContact O-N 3.02Å; A78-L82 WeakPolarHBondContact O-CG 3.41Å; A78-L82 PolarHBondContact O-N 3.01Å
79	T	86	Confident	73.3	Confident	30 Å²	30	76.9 Å²	76.9	18%	0.184	45%	0.453	C	S	.	.	H	α-helix	trans	-67.4	-37.8	179.8	55.9	0	0	0	0	113.2	G75 Q76 R81 L82 W83 A470 V474	G75-T79 PolarHBondContact O-N 3.32Å; G75-T79 PolarHBondContact O-OG1 3.07Å; Q76-T79 PolarHBondContact O-N 3.49Å; Q76-T79 PolarHBondContact O-OG1 3.08Å; T79-R81 VanDerWaalsContact C-N 3.35Å; T79-R81 PolarHBondContact O-N 2.85Å; T79-L82 PolarHBondContact O-N 3.35Å; T79-W83 VanDerWaalsContact O-CD1 3.23Å; T79-W83 PolarHBondContact O-N 3.17Å; T79-W83 VanDerWaalsContact O-N 3.15Å; T79-A470 HydrophobicContact CG2-CB 3.76Å; T79-V474 HydrophobicContact CG2-CG2 3.9Å
80	E	88.2	Confident	75.9	Confident	135 Å²	135	74.3 Å²	74.3	63%	0.631	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-41.3	176	-73.3	-179.2	-178.1	0	0	111.6	Q76 L82 W83 S84	Q76-E80 PolarHBondContact O-N 3.17Å; Q76-E80 VanDerWaalsContact O-N 3.12Å; E80-L82 PolarHBondContact O-N 3.41Å; E80-W83 PolarHBondContact O-N 3.16Å; E80-S84 WeakPolarHBondContact O-CB 3.2Å; E80-S84 PolarHBondContact O-N 2.69Å
81	R	86.8	Confident	78.3	Confident	117 Å²	117	77.3 Å²	77.3	44%	0.442	43%	0.426	S	S	.	.	H	α-helix	trans	-61.3	-41.8	175.5	-70.2	171.4	-169.5	-161.4	5	112.2	D77 A78 T79 S84 V85	D77-R81 VanDerWaalsContact O-CG 3.24Å; D77-R81 WeakPolarHBondContact O-CG 3.25Å; D77-R81 PolarHBondContact O-N 3.47Å; D77-R81 IonicContact OD1-CZ 3.52Å; D77-R81 IonicContact OD1-NE 3.09Å; D77-R81 PolarHBondContact OD1-NE 2.88Å; D77-R81 IonicContact OD1-NH2 3.35Å; D77-R81 PolarHBondContact OD1-NH2 2.91Å; D77-R81 IonicContact OD2-CZ 3.36Å; D77-R81 IonicContact OD2-NE 2.97Å; D77-R81 IonicContact OD2-NH2 2.69Å; D77-R81 PolarHBondContact OD2-NH2 3.21Å; A78-R81 PolarHBondContact O-N 3.02Å; T79-R81 VanDerWaalsContact C-N 3.35Å; T79-R81 PolarHBondContact O-N 2.85Å; R81-S84 WeakPolarHBondContact O-CB 3.46Å; R81-S84 PolarHBondContact O-N 3.34Å; R81-V85 WeakPolarHBondContact O-CG2 3.25Å; R81-V85 PolarHBondContact O-N 3.26Å
82	L	88.8	Confident	80.3	Confident	12 Å²	12	75 Å²	75	6%	0.063	40%	0.402	C	S	.	.	H	α-helix	trans	-61.6	-47.7	177.3	-68	168.6	0	0	0	111.7	A78 T79 E80 S84 V85 Y86 M463 T471 V474 W478	A78-L82 WeakPolarHBondContact O-CG 3.41Å; A78-L82 PolarHBondContact O-N 3.01Å; T79-L82 PolarHBondContact O-N 3.35Å; E80-L82 PolarHBondContact O-N 3.41Å; L82-S84 VanDerWaalsContact C-N 3.28Å; L82-S84 PolarHBondContact O-N 3.48Å; L82-V85 PolarHBondContact O-N 3.23Å; L82-Y86 WeakPolarHBondContact O-CB 3.27Å; L82-Y86 PolarHBondContact O-N 3.22Å; L82-M463 HydrophobicContact CD2-CB 4.43Å; L82-M463 HydrophobicContact CD2-CG 3.78Å; L82-M463 HydrophobicContact CD2-SD 3.42Å; L82-M463 WeakPolarHBondContact CD2-SD 3.49Å; L82-T471 HydrophobicContact CD1-CG2 3.39Å; L82-V474 HydrophobicContact CB-CG1 3.98Å; L82-V474 HydrophobicContact CD1-CB 4.19Å; L82-V474 HydrophobicContact CD1-CG1 4.19Å; L82-W478 HydrophobicContact CB-CH2 3.94Å; L82-W478 HydrophobicContact CB-CZ2 3.93Å; L82-W478 HydrophobicContact CD2-CH2 4.05Å; L82-W478 WeakPolarHBondContact O-CZ2 3.31Å
83	W	93.2	Very high	82.4	Confident	102 Å²	102	71.2 Å²	71.2	39%	0.386	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-31.7	176.7	-74.6	118.3	0	0	0	112.9	T79 E80 Y86 S87 V474 E477 W478	T79-W83 VanDerWaalsContact O-CD1 3.23Å; T79-W83 PolarHBondContact O-N 3.17Å; T79-W83 VanDerWaalsContact O-N 3.15Å; E80-W83 PolarHBondContact O-N 3.16Å; W83-Y86 HydrophobicContact CE3-CD1 4.03Å; W83-Y86 HydrophobicContact CE3-CG 4.03Å; W83-Y86 HydrophobicContact CZ3-CD1 4.17Å; W83-Y86 HydrophobicContact CZ3-CD2 4.25Å; W83-Y86 HydrophobicContact CZ3-CE1 4.35Å; W83-Y86 HydrophobicContact CZ3-CE2 4.35Å; W83-Y86 HydrophobicContact CZ3-CG 4.16Å; W83-S87 WeakPolarHBondContact O-CB 3.22Å; W83-S87 PolarHBondContact O-N 3.28Å; W83-S87 PolarHBondContact O-OG 3.45Å; W83-V474 HydrophobicContact CD2-CG1 4.2Å; W83-V474 HydrophobicContact CZ2-CG1 3.88Å; W83-E477 HydrophobicContact CH2-CB 4.2Å; W83-E477 HydrophobicContact CZ2-CB 4.39Å; W83-W478 AromaticContact CE3-NE1 3.7Å; W83-W478 AromaticContact CH2-CD1 3.8Å; W83-W478 AromaticContact CH2-NE1 3.5Å; W83-W478 AromaticContact CZ3-CD1 3.82Å; W83-W478 AromaticContact CZ3-NE1 3.24Å
84	S	92.6	Very high	83.8	Confident	79 Å²	79	71.3 Å²	71.3	55%	0.552	36%	0.363	S	S	*	.	H	α-helix	trans	-64.7	-45.8	171.6	-174.5	0	0	0	0	111.7	E80 R81 L82 S87 E88	E80-S84 WeakPolarHBondContact O-CB 3.2Å; E80-S84 PolarHBondContact O-N 2.69Å; R81-S84 WeakPolarHBondContact O-CB 3.46Å; R81-S84 PolarHBondContact O-N 3.34Å; L82-S84 VanDerWaalsContact C-N 3.28Å; L82-S84 PolarHBondContact O-N 3.48Å; S84-S87 PolarHBondContact O-N 2.98Å; S84-E88 WeakPolarHBondContact O-CB 3.19Å; S84-E88 PolarHBondContact O-N 3.18Å
85	V	91.8	Very high	84.5	Confident	62 Å²	62	72 Å²	72	38%	0.376	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-42.8	177.2	172.3	0	0	0	0	110.7	R81 L82 T89 L459	R81-V85 WeakPolarHBondContact O-CG2 3.25Å; R81-V85 PolarHBondContact O-N 3.26Å; L82-V85 PolarHBondContact O-N 3.23Å; V85-T89 VanDerWaalsContact O-CB 3.31Å; V85-T89 WeakPolarHBondContact O-CB 3.35Å; V85-T89 PolarHBondContact O-N 3.24Å; V85-T89 PolarHBondContact O-OG1 2.82Å; V85-L459 HydrophobicContact CG1-CD2 3.67Å
86	Y	93.9	Very high	85	Confident	24 Å²	24	73.2 Å²	73.2	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-55.4	-53.3	173.8	172.8	-81.3	0	0	0	111.4	L82 W83 E88 T89 K90 W452 L456 W478 E481	L82-Y86 WeakPolarHBondContact O-CB 3.27Å; L82-Y86 PolarHBondContact O-N 3.22Å; W83-Y86 HydrophobicContact CE3-CD1 4.03Å; W83-Y86 HydrophobicContact CE3-CG 4.03Å; W83-Y86 HydrophobicContact CZ3-CD1 4.17Å; W83-Y86 HydrophobicContact CZ3-CD2 4.25Å; W83-Y86 HydrophobicContact CZ3-CE1 4.35Å; W83-Y86 HydrophobicContact CZ3-CE2 4.35Å; W83-Y86 HydrophobicContact CZ3-CG 4.16Å; Y86-E88 PolarHBondContact O-N 3.19Å; Y86-T89 PolarHBondContact O-N 2.87Å; Y86-K90 HydrophobicContact CE1-CD 3.78Å; Y86-K90 WeakPolarHBondContact O-CB 3.39Å; Y86-K90 PolarHBondContact O-N 3.31Å; Y86-K90 PolarHBondContact OH-NZ 2.91Å; Y86-W452 AromaticContact CD2-CH2 3.8Å; Y86-W452 HydrophobicContact CD2-CH2 3.8Å; Y86-W452 HydrophobicContact CD2-CZ2 4.02Å; Y86-W452 HydrophobicContact CE1-CZ2 4.4Å; Y86-W452 AromaticContact CE2-CH2 3.62Å; Y86-W452 HydrophobicContact CE2-CH2 3.62Å; Y86-W452 AromaticContact CE2-CZ2 3.34Å; Y86-W452 HydrophobicContact CE2-CZ2 3.34Å; Y86-W452 HydrophobicContact CG-CH2 4.35Å; Y86-W452 AromaticContact CZ-CH2 3.97Å; Y86-W452 AromaticContact CZ-CZ2 3.54Å; Y86-L456 HydrophobicContact CD2-CD1 4.32Å; Y86-L456 HydrophobicContact CE2-CD1 4.08Å; Y86-W478 AromaticContact CD2-CD1 3.73Å; Y86-W478 HydrophobicContact CD2-CD2 4.22Å; Y86-W478 AromaticContact CD2-CE2 3.71Å; Y86-W478 HydrophobicContact CD2-CG 4.25Å; Y86-W478 HydrophobicContact CD2-CZ2 4.25Å; Y86-W478 AromaticContact CD2-NE1 3.38Å; Y86-W478 AromaticContact CE2-CD1 3.89Å; Y86-W478 AromaticContact CE2-NE1 3.96Å; Y86-W478 HydrophobicContact CG-CZ2 4.42Å; Y86-W478 AromaticContact CG-NE1 3.98Å; Y86-E481 VanDerWaalsContact CE2-OE2 3.24Å; Y86-E481 WeakPolarHBondContact CE2-OE2 3.13Å; Y86-E481 VanDerWaalsContact CZ-OE2 3.29Å; Y86-E481 PolarHBondContact OH-OE1 2.91Å; Y86-E481 PolarHBondContact OH-OE2 3.03Å
87	S	94.1	Very high	84.9	Confident	68 Å²	68	71.9 Å²	71.9	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-41.2	-174.5	-58.1	0	0	0	0	111.6	W83 S84 R91	W83-S87 WeakPolarHBondContact O-CB 3.22Å; W83-S87 PolarHBondContact O-N 3.28Å; W83-S87 PolarHBondContact O-OG 3.45Å; S84-S87 PolarHBondContact O-N 2.98Å; S87-R91 WeakPolarHBondContact O-CB 3.45Å; S87-R91 PolarHBondContact O-N 2.82Å
88	E	93	Very high	84.3	Confident	70 Å²	70	72.9 Å²	72.9	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-46.3	175.9	-177.5	55.8	-145.6	0	0	111.4	S84 Y86 R91 Q92	S84-E88 WeakPolarHBondContact O-CB 3.19Å; S84-E88 PolarHBondContact O-N 3.18Å; Y86-E88 PolarHBondContact O-N 3.19Å; E88-R91 PolarHBondContact O-N 2.56Å; E88-R91 IonicContact OE1-CZ 3.45Å; E88-R91 IonicContact OE1-NE 2.98Å; E88-R91 IonicContact OE1-NH2 3.51Å; E88-R91 PolarHBondContact OE1-NH2 3.22Å; E88-R91 IonicContact OE2-CZ 3.52Å; E88-R91 VanDerWaalsContact OE2-CZ 3.23Å; E88-R91 IonicContact OE2-NE 2.69Å; E88-R91 IonicContact OE2-NH2 2.89Å; E88-R91 PolarHBondContact OE2-NH2 3.45Å; E88-Q92 VanDerWaalsContact O-CG 3.31Å; E88-Q92 WeakPolarHBondContact O-CG 3.33Å; E88-Q92 PolarHBondContact O-N 3.03Å; E88-Q92 PolarHBondContact OE1-NE2 2.88Å
89	T	91.8	Very high	83.6	Confident	22 Å²	22	76.3 Å²	76.3	14%	0.135	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-46	178.8	-54.9	0	0	0	0	110.7	V85 Y86 R91 Q92 T93 W452 A455 L459	V85-T89 VanDerWaalsContact O-CB 3.31Å; V85-T89 WeakPolarHBondContact O-CB 3.35Å; V85-T89 PolarHBondContact O-N 3.24Å; V85-T89 PolarHBondContact O-OG1 2.82Å; Y86-T89 PolarHBondContact O-N 2.87Å; T89-R91 PolarHBondContact O-N 3.49Å; T89-Q92 WeakPolarHBondContact O-CB 3.29Å; T89-Q92 PolarHBondContact O-N 3.49Å; T89-Q92 VanDerWaalsContact O-N 3.13Å; T89-T93 WeakPolarHBondContact O-CG2 3.38Å; T89-T93 PolarHBondContact O-N 2.65Å; T89-W452 HydrophobicContact CG2-CZ3 4.11Å; T89-A455 HydrophobicContact CG2-CB 3.84Å; T89-L459 HydrophobicContact CG2-CD1 4.12Å
90	K	92.2	Very high	83.6	Confident	56 Å²	56	79.3 Å²	79.3	24%	0.243	43%	0.425	C	S	.	.	H	α-helix	trans	-59.6	-47.2	179.4	-166.2	163.8	-172.4	161.7	0	111.3	Y86 Q92 T93 E94 W452 E481	Y86-K90 HydrophobicContact CE1-CD 3.78Å; Y86-K90 WeakPolarHBondContact O-CB 3.39Å; Y86-K90 PolarHBondContact O-N 3.31Å; Y86-K90 PolarHBondContact OH-NZ 2.91Å; K90-Q92 VanDerWaalsContact C-N 3.31Å; K90-Q92 PolarHBondContact O-N 3.13Å; K90-T93 PolarHBondContact O-N 2.71Å; K90-T93 VanDerWaalsContact O-N 3.07Å; K90-T93 PolarHBondContact O-OG1 3.29Å; K90-E94 PolarHBondContact O-N 2.77Å; K90-W452 HydrophobicContact CB-CE3 4.08Å; K90-W452 HydrophobicContact CB-CH2 3.83Å; K90-W452 HydrophobicContact CB-CZ2 4.34Å; K90-W452 HydrophobicContact CB-CZ3 3.68Å; K90-W452 HydrophobicContact CD-CD2 4.46Å; K90-W452 HydrophobicContact CD-CH2 4.19Å; K90-W452 HydrophobicContact CD-CZ2 3.85Å; K90-W452 HydrophobicContact CG-CD2 4.14Å; K90-W452 HydrophobicContact CG-CE3 4.09Å; K90-W452 HydrophobicContact CG-CH2 4.18Å; K90-W452 HydrophobicContact CG-CZ2 4.2Å; K90-W452 HydrophobicContact CG-CZ3 4.11Å; K90-E481 IonicContact NZ-OE1 2.79Å; K90-E481 PolarHBondContact NZ-OE1 3.28Å
91	R	89.4	Confident	83.8	Confident	144 Å²	144	74.9 Å²	74.9	54%	0.543	41%	0.407	S	S	.	.	H	α-helix	trans	-57.4	-41.4	174.3	-173.2	-176.9	69.7	163.9	4	112.4	S87 E88 T89 T93 E94	S87-R91 WeakPolarHBondContact O-CB 3.45Å; S87-R91 PolarHBondContact O-N 2.82Å; E88-R91 PolarHBondContact O-N 2.56Å; E88-R91 IonicContact OE1-CZ 3.45Å; E88-R91 IonicContact OE1-NE 2.98Å; E88-R91 IonicContact OE1-NH2 3.51Å; E88-R91 PolarHBondContact OE1-NH2 3.22Å; E88-R91 IonicContact OE2-CZ 3.52Å; E88-R91 VanDerWaalsContact OE2-CZ 3.23Å; E88-R91 IonicContact OE2-NE 2.69Å; E88-R91 IonicContact OE2-NH2 2.89Å; E88-R91 PolarHBondContact OE2-NH2 3.45Å; T89-R91 PolarHBondContact O-N 3.49Å; R91-T93 VanDerWaalsContact C-N 3.32Å; R91-T93 PolarHBondContact O-N 2.72Å; R91-E94 PolarHBondContact O-N 2.67Å
92	Q	86.8	Confident	84.2	Confident	74 Å²	74	73.1 Å²	73.1	35%	0.346	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-35.6	177.3	-71.4	172.6	10.3	0	0	112.3	L56 E88 T89 K90 E94 V95	L56-Q92 HydrophobicContact CD2-CB 4.32Å; E88-Q92 VanDerWaalsContact O-CG 3.31Å; E88-Q92 WeakPolarHBondContact O-CG 3.33Å; E88-Q92 PolarHBondContact O-N 3.03Å; E88-Q92 PolarHBondContact OE1-NE2 2.88Å; T89-Q92 WeakPolarHBondContact O-CB 3.29Å; T89-Q92 PolarHBondContact O-N 3.49Å; T89-Q92 VanDerWaalsContact O-N 3.13Å; K90-Q92 VanDerWaalsContact C-N 3.31Å; K90-Q92 PolarHBondContact O-N 3.13Å; Q92-E94 PolarHBondContact O-N 2.83Å; Q92-V95 PolarHBondContact O-N 2.83Å
93	T	84.6	Confident	84.5	Confident	4 Å²	4	73.7 Å²	73.7	3%	0.025	41%	0.411	C	S	.	.	H	α-helix	trans	-70	-17.8	177.3	62.9	0	0	0	0	114.5	L56 T89 K90 R91 H448 T451 W452 A455	L56-T93 HydrophobicContact CD1-CG2 4.1Å; T89-T93 WeakPolarHBondContact O-CG2 3.38Å; T89-T93 PolarHBondContact O-N 2.65Å; K90-T93 PolarHBondContact O-N 2.71Å; K90-T93 VanDerWaalsContact O-N 3.07Å; K90-T93 PolarHBondContact O-OG1 3.29Å; R91-T93 VanDerWaalsContact C-N 3.32Å; R91-T93 PolarHBondContact O-N 2.72Å; T93-H448 PolarHBondContact O-ND1 3.34Å; T93-T451 HydrophobicContact CG2-CG2 3.91Å; T93-W452 HydrophobicContact CG2-CE3 4.19Å; T93-A455 HydrophobicContact CG2-CB 3.78Å
94	E	78.6	Confident	84.6	Confident	120 Å²	120	71.3 Å²	71.3	56%	0.561	41%	0.406	S	S	*	.	H	α-helix	trans	-77.8	-23	175.5	-68.4	172.9	175.2	0	0	112.7	K90 R91 Q92 H448	K90-E94 PolarHBondContact O-N 2.77Å; R91-E94 PolarHBondContact O-N 2.67Å; Q92-E94 PolarHBondContact O-N 2.83Å; E94-H448 WeakPolarHBondContact CG-CE1 3.08Å
95	V	68.8	Low	84.8	Confident	122 Å²	122	69.1 Å²	69.1	74%	0.739	39%	0.389	S	S	*	.	S	Bend	trans	-95.8	-1.9	-172.7	-174.1	0	0	0	0	112.6	Q92 S97	Q92-V95 PolarHBondContact O-N 2.83Å; V95-S97 PolarHBondContact O-N 3.05Å
96	I	66.3	Low	85.1	Confident	66 Å²	66	66.6 Å²	66.6	34%	0.338	37%	0.374	S	S	.	.			trans	-70.8	128	-173.8	-71.5	172.3	0	0	0	111.9	L56 T451	L56-I96 HydrophobicContact CD1-CD1 4.13Å; L56-I96 HydrophobicContact CD2-CD1 4.43Å; L56-I96 HydrophobicContact CG-CD1 4.26Å; I96-T451 HydrophobicContact CD1-CG2 3.54Å
97	S	58.7	Low	85.2	Confident	112 Å²	112	67 Å²	67	78%	0.783	38%	0.376	S	S	*	.			trans	-64.3	130.8	174.9	-176.5	0	0	0	0	111.6	V95 S99	V95-S97 PolarHBondContact O-N 3.05Å; S97-S99 PolarHBondContact O-N 2.92Å
98	T	63	Low	85.4	Confident	75 Å²	75	64.7 Å²	64.7	46%	0.46	36%	0.361	S	S	.	.			trans	-78.3	115.1	-178.1	54.9	0	0	0	0	110.7	V447	T98-V447 HydrophobicContact CG2-CB 4.42Å; T98-V447 HydrophobicContact CG2-CG1 4.18Å; T98-V447 HydrophobicContact CG2-CG2 4.45Å
99	S	67.6	Low	85.5	Confident	108 Å²	108	63.1 Å²	63.1	76%	0.755	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-78.9	121.5	160.8	61.8	0	0	0	0	108.8	S97	S97-S99 PolarHBondContact O-N 2.92Å
100	S	85.4	Confident	85.6	Confident	93 Å²	93	65.5 Å²	65.5	65%	0.65	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-96.2	128.5	178.7	179.9	0	0	0	0	109.7	N442	S100-N442 PolarHBondContact OG-ND2 3.43Å
101	V	92.1	Very high	85.8	Confident	42 Å²	42	68.6 Å²	68.6	26%	0.255	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-88.3	128.3	173.5	179.1	0	0	0	0	109	P103 F107 I438 N442	V101-P103 VanDerWaalsContact O-CD 3.31Å; V101-P103 WeakPolarHBondContact O-CD 3.21Å; V101-F107 HydrophobicContact CG1-CE1 3.96Å; V101-F107 HydrophobicContact CG1-CZ 3.76Å; V101-I438 HydrophobicContact CB-CG2 3.98Å; V101-I438 HydrophobicContact CG1-CG2 4.06Å; V101-I438 VanDerWaalsContact O-CG2 3.26Å; V101-I438 WeakPolarHBondContact O-CG2 3.1Å; V101-N442 PolarHBondContact N-OD1 3.39Å; V101-N442 PolarHBondContact O-ND2 2.93Å
102	D	95.1	Very high	86.1	Confident	80 Å²	80	61.8 Å²	61.8	43%	0.428	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-66.7	120.6	175.6	175.9	3	0	0	0	110.3	D104 T105	D102-D104 PolarHBondContact O-N 3.03Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D102-D104 PolarHBondContact OD1-N 3.06Å; D102-T105 WeakPolarHBondContact CB-OG1 3.42Å; D102-T105 VanDerWaalsContact O-CB 3.28Å; D102-T105 WeakPolarHBondContact O-CB 3.46Å; D102-T105 PolarHBondContact O-N 3.18Å; D102-T105 VanDerWaalsContact O-N 3.13Å; D102-T105 PolarHBondContact O-OG1 3.15Å
103	P	95.8	Very high	86.6	Confident	24 Å²	24	59 Å²	59	16%	0.156	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.6	179	-20.8	32.2	0	0	0	115.3	V101 R435 I438 K439	V101-P103 VanDerWaalsContact O-CD 3.31Å; V101-P103 WeakPolarHBondContact O-CD 3.21Å; P103-R435 HydrophobicContact CB-CG 3.72Å; P103-I438 HydrophobicContact CB-CB 4.28Å; P103-I438 HydrophobicContact CB-CG2 4.14Å; P103-I438 HydrophobicContact CG-CB 4.46Å; P103-I438 HydrophobicContact CG-CG2 3.93Å; P103-K439 HydrophobicContact CG-CG 3.94Å
104	D	95.4	Very high	87.2	Confident	53 Å²	53	58.9 Å²	58.9	28%	0.283	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	15.8	179.3	-64.4	-39.5	0	0	0	113	D102 R435 C527 N530	D102-D104 PolarHBondContact O-N 3.03Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D102-D104 PolarHBondContact OD1-N 3.06Å; D104-R435 IonicContact OD1-CZ 2.88Å; D104-R435 IonicContact OD1-NE 2.75Å; D104-R435 PolarHBondContact OD1-NE 2.83Å; D104-R435 IonicContact OD1-NH2 3.96Å; D104-R435 PolarHBondContact OD1-NH2 3.02Å; D104-C527 VanDerWaalsContact O-CB 3.29Å; D104-C527 WeakPolarHBondContact O-CB 3.38Å; D104-C527 PolarHBondContact O-SG 3.37Å; D104-N530 PolarHBondContact O-ND2 3.03Å
105	T	95.8	Very high	88.1	Confident	33 Å²	33	61.9 Å²	61.9	20%	0.202	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-72.1	145.9	171.1	-70	0	0	0	0	112.1	D102 F107 Y531	D102-T105 WeakPolarHBondContact CB-OG1 3.42Å; D102-T105 VanDerWaalsContact O-CB 3.28Å; D102-T105 WeakPolarHBondContact O-CB 3.46Å; D102-T105 PolarHBondContact O-N 3.18Å; D102-T105 VanDerWaalsContact O-N 3.13Å; D102-T105 PolarHBondContact O-OG1 3.15Å; T105-F107 HydrophobicContact CG2-CD1 4.49Å; T105-F107 HydrophobicContact CG2-CE1 4.2Å; T105-F107 HydrophobicContact CG2-CE2 4.37Å; T105-F107 HydrophobicContact CG2-CZ 4.13Å; T105-F107 WeakPolarHBondContact O-CD2 3.47Å; T105-F107 VanDerWaalsContact O-CE2 3.29Å; T105-F107 WeakPolarHBondContact O-CE2 3.37Å; T105-Y531 WeakPolarHBondContact CA-OH 3.26Å
106	I	98	Very high	89.4	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.046	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-89.4	127.4	167	-63.5	175.2	0	0	0	109.4	I520 M522 C527 M528 Y531 F537	I106-I520 HydrophobicContact CG2-CB 3.83Å; I106-I520 HydrophobicContact CG2-CD1 4.07Å; I106-I520 HydrophobicContact CG2-CG1 4.42Å; I106-I520 HydrophobicContact CG2-CG2 4.15Å; I106-M522 HydrophobicContact CB-CE 4.41Å; I106-M522 HydrophobicContact CD1-CE 3.64Å; I106-M522 HydrophobicContact CD1-SD 4.04Å; I106-M522 HydrophobicContact CG1-CB 4.04Å; I106-M522 HydrophobicContact CG1-CE 3.72Å; I106-M522 HydrophobicContact CG1-SD 4Å; I106-M522 HydrophobicContact CG2-CE 3.87Å; I106-C527 HydrophobicContact CD1-CB 4.27Å; I106-C527 HydrophobicContact CG1-CB 3.75Å; I106-M528 HydrophobicContact CD1-CG 4.2Å; I106-M528 HydrophobicContact CD1-SD 3.47Å; I106-M528 WeakPolarHBondContact CD1-SD 3.47Å; I106-Y531 HydrophobicContact CB-CE2 3.98Å; I106-Y531 HydrophobicContact CD1-CD2 3.64Å; I106-Y531 HydrophobicContact CD1-CE2 3.69Å; I106-Y531 HydrophobicContact CG1-CD2 4.15Å; I106-Y531 HydrophobicContact CG1-CE2 3.64Å; I106-Y531 PolarHBondContact N-OH 3.45Å; I106-Y531 VanDerWaalsContact N-OH 3.07Å; I106-F537 HydrophobicContact CB-CD1 4.21Å; I106-F537 HydrophobicContact CB-CE1 3.61Å; I106-F537 HydrophobicContact CB-CZ 4.03Å; I106-F537 HydrophobicContact CD1-CE1 4.07Å; I106-F537 HydrophobicContact CD1-CZ 3.66Å; I106-F537 HydrophobicContact CG1-CE1 4.38Å; I106-F537 HydrophobicContact CG1-CZ 4.42Å; I106-F537 HydrophobicContact CG2-CD1 3.99Å; I106-F537 HydrophobicContact CG2-CE1 3.7Å; I106-F537 HydrophobicContact CG2-CE2 4.31Å; I106-F537 HydrophobicContact CG2-CG 4.45Å; I106-F537 HydrophobicContact CG2-CZ 3.88Å
107	F	97.4	Very high	90.9	Very high	31 Å²	31	57.6 Å²	57.6	14%	0.136	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.8	-179	-61.2	-87.5	0	0	0	110.6	V101 T105 L434 I438 I520 Y521	V101-F107 HydrophobicContact CG1-CE1 3.96Å; V101-F107 HydrophobicContact CG1-CZ 3.76Å; T105-F107 HydrophobicContact CG2-CD1 4.49Å; T105-F107 HydrophobicContact CG2-CE1 4.2Å; T105-F107 HydrophobicContact CG2-CE2 4.37Å; T105-F107 HydrophobicContact CG2-CZ 4.13Å; T105-F107 WeakPolarHBondContact O-CD2 3.47Å; T105-F107 VanDerWaalsContact O-CE2 3.29Å; T105-F107 WeakPolarHBondContact O-CE2 3.37Å; F107-L434 HydrophobicContact CD2-CD2 3.82Å; F107-L434 HydrophobicContact CE2-CD2 3.82Å; F107-L434 HydrophobicContact CE2-CG 4.49Å; F107-I438 HydrophobicContact CE2-CD1 3.57Å; F107-I438 HydrophobicContact CZ-CD1 3.53Å; F107-I520 CarbonylContact O-C 3.06Å; F107-I520 WeakPolarHBondContact O-CA 3.26Å; F107-Y521 HydrophobicContact CB-CD1 3.86Å; F107-Y521 HydrophobicContact CB-CD2 4.19Å; F107-Y521 HydrophobicContact CB-CE1 3.37Å; F107-Y521 HydrophobicContact CB-CE2 3.72Å; F107-Y521 HydrophobicContact CB-CG 4.25Å; F107-Y521 HydrophobicContact CD2-CD2 4.38Å; F107-Y521 AromaticContact CD2-CE2 3.92Å; F107-Y521 HydrophobicContact CD2-CE2 3.92Å; F107-Y521 HydrophobicContact CG-CE1 4.39Å; F107-Y521 AromaticContact CG-CE2 3.96Å; F107-Y521 HydrophobicContact CG-CE2 3.96Å; F107-Y521 AromaticContact CG-CZ 3.82Å; F107-Y521 PolarHBondContact N-O 3.13Å; F107-Y521 WeakPolarHBondContact O-CD1 3.28Å; F107-Y521 PolarHBondContact O-N 3.02Å
108	A	97.1	Very high	92.8	Very high	20 Å²	20	56.5 Å²	56.5	17%	0.165	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130	-179.9	0	0	0	0	0	112.7	I520 F537 P539	A108-I520 HydrophobicContact CB-CG2 4.18Å; A108-F537 HydrophobicContact CB-CB 3.75Å; A108-P539 WeakPolarHBondContact O-CA 3.42Å
109	N	95.8	Very high	94.5	Very high	37 Å²	37	53.3 Å²	53.3	20%	0.198	29%	0.287	C	S	.	.	S	Bend	trans	-90.8	-31.7	163.6	-62.7	-51.4	0	0	0	111.1	A518 D519 P539	N109-A518 WeakPolarHBondContact CB-O 3.49Å; N109-A518 PolarHBondContact ND2-O 3.05Å; N109-D519 PolarHBondContact N-O 3.1Å; N109-P539 WeakPolarHBondContact O-CB 3.41Å
110	N	94.3	Very high	95.9	Very high	72 Å²	72	48.2 Å²	48.2	39%	0.385	25%	0.251	S	S	.	.	S	Bend	trans	-128.4	156.5	175.7	-65.6	-50.5	0	0	0	110.8	M112 D519	N110-M112 PolarHBondContact O-N 3.12Å; N110-D519 HydrophobicContact CB-CB 4.37Å; N110-D519 VanDerWaalsContact CB-OD1 3.31Å; N110-D519 WeakPolarHBondContact CB-OD1 3.46Å; N110-D519 PolarHBondContact N-O 3.04Å; N110-D519 VanDerWaalsContact N-O 3.13Å; N110-D519 PolarHBondContact ND2-OD1 3.36Å
111	E	95.9	Very high	96.5	Very high	122 Å²	122	43.8 Å²	43.8	57%	0.57	22%	0.22	S	C	*	.			trans	-63.7	127.2	173	-173.6	178.4	149.2	0	0	110.7	R426 T536 F537 F538	E111-R426 PolarHBondContact O-NH1 3.14Å; E111-R426 PolarHBondContact O-NH2 3.32Å; E111-T536 HydrophobicContact CG-CG2 4.11Å; E111-F537 VanDerWaalsContact CA-O 3.32Å; E111-F537 WeakPolarHBondContact CA-O 3.4Å; E111-F538 HydrophobicContact CG-CD1 3.87Å; E111-F538 HydrophobicContact CG-CE1 3.96Å
112	M	95.6	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	122.3	179.8	-172.2	-171.1	-61	0	0	111	N110 L406 R426 D519 I520 T536 F537	N110-M112 PolarHBondContact O-N 3.12Å; M112-L406 HydrophobicContact CE-CD1 3.9Å; M112-L406 HydrophobicContact SD-CD1 4.07Å; M112-L406 HydrophobicContact SD-CD2 4.02Å; M112-R426 HydrophobicContact CE-CB 3.78Å; M112-R426 HydrophobicContact CE-CG 4.38Å; M112-R426 HydrophobicContact SD-CB 4.41Å; M112-D519 HydrophobicContact CE-CB 3.15Å; M112-I520 HydrophobicContact CB-CG2 4.37Å; M112-I520 HydrophobicContact CE-CB 4.46Å; M112-I520 HydrophobicContact CE-CD1 4.14Å; M112-I520 HydrophobicContact CE-CG1 3.88Å; M112-I520 HydrophobicContact CE-CG2 4.03Å; M112-I520 HydrophobicContact SD-CD1 3.9Å; M112-I520 HydrophobicContact SD-CG1 4.3Å; M112-I520 HydrophobicContact SD-CG2 4.36Å; M112-T536 CarbonylContact O-C 3.55Å; M112-T536 WeakPolarHBondContact O-CA 3.37Å; M112-F537 HydrophobicContact CB-CD2 4.48Å; M112-F537 PolarHBondContact N-O 3.4Å; M112-F537 PolarHBondContact O-N 2.93Å
113	S	97.2	Very high	97	Very high	17 Å²	17	38.4 Å²	38.4	12%	0.119	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.1	167.5	-165.3	0	0	0	0	111.1	R115 D116 T536	S113-R115 PolarHBondContact O-N 3.47Å; S113-R115 WeakPolarHBondContact OG-CB 3.36Å; S113-R115 PolarHBondContact OG-N 3.47Å; S113-D116 PolarHBondContact O-N 3.08Å; S113-T536 WeakPolarHBondContact CB-OG1 3.37Å; S113-T536 PolarHBondContact OG-OG1 3.28Å
114	L	97.8	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-67.9	-20.5	172	-67.9	-179.1	0	0	0	112.4	D116 I117 L406 M528 L533 H535 F537	L114-D116 VanDerWaalsContact C-N 3.26Å; L114-D116 PolarHBondContact O-N 3.43Å; L114-I117 PolarHBondContact O-N 3.49Å; L114-L406 HydrophobicContact CD2-CD2 4.26Å; L114-M528 HydrophobicContact CD1-CE 3.72Å; L114-M528 HydrophobicContact CD2-CE 3.86Å; L114-M528 HydrophobicContact CG-CE 4.47Å; L114-L533 CarbonylContact C-O 3.55Å; L114-L533 WeakPolarHBondContact CB-O 3.3Å; L114-L533 HydrophobicContact CD1-CD2 4.47Å; L114-H535 HydrophobicContact CD1-CB 4.45Å; L114-H535 PolarHBondContact N-O 3.25Å; L114-F537 HydrophobicContact CD1-CE2 3.83Å; L114-F537 HydrophobicContact CD1-CZ 4.04Å; L114-F537 HydrophobicContact CD2-CE2 3.97Å; L114-F537 HydrophobicContact CG-CE2 3.71Å; L114-F537 HydrophobicContact CG-CZ 4.42Å
115	R	97	Very high	97	Very high	183 Å²	183	35.3 Å²	35.3	69%	0.691	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-60.7	-38.8	177.4	-176.8	-179.5	174.6	179.4	-1.4	111.6	S113 I117 L533	S113-R115 PolarHBondContact O-N 3.47Å; S113-R115 WeakPolarHBondContact OG-CB 3.36Å; S113-R115 PolarHBondContact OG-N 3.47Å; R115-I117 VanDerWaalsContact C-N 3.28Å; R115-I117 PolarHBondContact O-N 2.88Å; R115-L533 WeakPolarHBondContact CA-O 3.21Å; R115-L533 PolarHBondContact N-O 3.19Å
116	D	96.3	Very high	97	Very high	96 Å²	96	34 Å²	34	51%	0.513	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-80	-12.7	-175.7	-58.7	-30.1	0	0	0	112.6	S113 L114	S113-D116 PolarHBondContact O-N 3.08Å; L114-D116 VanDerWaalsContact C-N 3.26Å; L114-D116 PolarHBondContact O-N 3.43Å
117	I	98	Very high	96.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.161	C	C	.	.			trans	-84.7	118.3	-179.2	-49.9	-54	0	0	0	109.6	L114 R115 I119 Y120 K314 S403 L406 R426	L114-I117 PolarHBondContact O-N 3.49Å; R115-I117 VanDerWaalsContact C-N 3.28Å; R115-I117 PolarHBondContact O-N 2.88Å; I117-I119 WeakPolarHBondContact CG2-O 3.19Å; I117-Y120 HydrophobicContact CB-CE2 4Å; I117-Y120 HydrophobicContact CG2-CD2 3.9Å; I117-Y120 HydrophobicContact CG2-CE1 4.08Å; I117-Y120 HydrophobicContact CG2-CE2 3.39Å; I117-Y120 HydrophobicContact CG2-CG 4.41Å; I117-Y120 VanDerWaalsContact CG2-CZ 3.49Å; I117-K314 WeakPolarHBondContact O-CE 3.05Å; I117-K314 PolarHBondContact O-NZ 3.36Å; I117-S403 VanDerWaalsContact CD1-O 3.26Å; I117-S403 WeakPolarHBondContact CD1-O 3.49Å; I117-L406 HydrophobicContact CD1-CB 4.27Å; I117-L406 HydrophobicContact CG1-CB 4.32Å; I117-L406 HydrophobicContact CG1-CD2 4.46Å; I117-L406 HydrophobicContact CG2-CB 3.55Å; I117-R426 HydrophobicContact CD1-CB 4.29Å; I117-R426 HydrophobicContact CD1-CG 3.84Å
118	E	97.8	Very high	96.9	Very high	90 Å²	90	32.2 Å²	32.2	42%	0.421	16%	0.155	S	C	.	.			trans	-103	-28.6	178.3	-67.3	171.9	-160	0	0	111.7	K315 K404	E118-K315 PolarHBondContact O-N 3.41Å; E118-K315 VanDerWaalsContact O-N 3.08Å; E118-K404 HydrophobicContact CB-CB 4.5Å; E118-K404 PolarHBondContact N-O 3.49Å; E118-K404 WeakPolarHBondContact OE1-CE 3.4Å; E118-K404 IonicContact OE1-NZ 3.73Å; E118-K404 PolarHBondContact OE1-NZ 2.9Å; E118-K404 IonicContact OE2-NZ 2.86Å; E118-K404 PolarHBondContact OE2-NZ 2.9Å
119	I	98.4	Very high	96.8	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.3	-173.1	-50.9	99.6	0	0	0	110.5	I117 K315 F317 W400 K404 V405 L406	I117-I119 WeakPolarHBondContact CG2-O 3.19Å; I119-K315 CarbonylContact C-O 3.53Å; I119-K315 WeakPolarHBondContact CA-O 3.2Å; I119-K315 HydrophobicContact CB-CB 4.37Å; I119-K315 HydrophobicContact CG1-CB 3.99Å; I119-K315 HydrophobicContact CG2-CB 4.16Å; I119-F317 HydrophobicContact CG2-CD1 3.64Å; I119-F317 HydrophobicContact CG2-CE1 3.64Å; I119-W400 HydrophobicContact CD1-CB 4.27Å; I119-W400 HydrophobicContact CD1-CG 4.16Å; I119-W400 HydrophobicContact CG1-CB 4.41Å; I119-W400 HydrophobicContact CG1-CD2 4.05Å; I119-W400 HydrophobicContact CG1-CG 3.95Å; I119-W400 HydrophobicContact CG2-CD2 3.8Å; I119-W400 HydrophobicContact CG2-CE3 3.52Å; I119-W400 HydrophobicContact CG2-CG 4.36Å; I119-W400 HydrophobicContact CG2-CH2 4.42Å; I119-W400 HydrophobicContact CG2-CZ3 3.87Å; I119-K404 HydrophobicContact CD1-CB 4.22Å; I119-K404 PolarHBondContact N-O 3.38Å; I119-K404 VanDerWaalsContact N-O 3.1Å; I119-V405 HydrophobicContact CB-CG1 4.45Å; I119-V405 HydrophobicContact CB-CG2 4.26Å; I119-V405 HydrophobicContact CD1-CG2 4.13Å; I119-V405 HydrophobicContact CG2-CG1 4.46Å; I119-V405 WeakPolarHBondContact O-CA 3.43Å; I119-L406 PolarHBondContact O-N 3.19Å
120	Y	98.6	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.4	-177.3	-71.8	-105.8	0	0	0	109.9	I117 L309 K314 K315 M316 F317 L406 F408 M528	I117-Y120 HydrophobicContact CB-CE2 4Å; I117-Y120 HydrophobicContact CG2-CD2 3.9Å; I117-Y120 HydrophobicContact CG2-CE1 4.08Å; I117-Y120 HydrophobicContact CG2-CE2 3.39Å; I117-Y120 HydrophobicContact CG2-CG 4.41Å; I117-Y120 VanDerWaalsContact CG2-CZ 3.49Å; Y120-L309 HydrophobicContact CD1-CD1 3.78Å; Y120-L309 HydrophobicContact CD1-CD2 3.85Å; Y120-L309 HydrophobicContact CD1-CG 4.5Å; Y120-L309 HydrophobicContact CD2-CD2 4.13Å; Y120-L309 HydrophobicContact CE1-CD1 4.4Å; Y120-L309 HydrophobicContact CE1-CD2 3.68Å; Y120-L309 HydrophobicContact CE2-CD2 3.97Å; Y120-L309 HydrophobicContact CG-CD1 3.94Å; Y120-L309 HydrophobicContact CG-CD2 4.1Å; Y120-K314 HydrophobicContact CD2-CB 3.83Å; Y120-K314 HydrophobicContact CD2-CD 4.48Å; Y120-K314 HydrophobicContact CD2-CG 4.13Å; Y120-K314 HydrophobicContact CE2-CB 4Å; Y120-K314 HydrophobicContact CE2-CD 3.87Å; Y120-K314 HydrophobicContact CE2-CG 3.76Å; Y120-K315 PolarHBondContact N-O 3.48Å; Y120-M316 CarbonylContact O-C 3.45Å; Y120-M316 WeakPolarHBondContact O-CA 3.32Å; Y120-F317 PolarHBondContact O-N 3.13Å; Y120-L406 WeakPolarHBondContact CA-O 3.33Å; Y120-L406 HydrophobicContact CE1-CD2 4.12Å; Y120-F408 AromaticContact CD1-CE2 3.97Å; Y120-F408 HydrophobicContact CD1-CE2 3.97Å; Y120-F408 HydrophobicContact CE1-CE2 4.46Å; Y120-M528 HydrophobicContact CE1-CE 4.29Å
121	G	98.1	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.1	176.7	0	0	0	0	0	111.8	F317 L406 Y407 F408	G121-F317 CarbonylContact C-O 3.43Å; G121-F317 WeakPolarHBondContact CA-O 3.4Å; G121-L406 PolarHBondContact N-O 3.1Å; G121-Y407 CarbonylContact O-C 3.47Å; G121-Y407 WeakPolarHBondContact O-CA 3.41Å; G121-F408 PolarHBondContact O-N 2.75Å
122	F	98.3	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.9	-178	-56.9	-87.5	0	0	0	110.9	L128 L306 L309 M316 F317 L318 I319 F343 F408 I525	F122-L128 HydrophobicContact CB-CD1 3.78Å; F122-L128 HydrophobicContact CB-CD2 4.34Å; F122-L128 HydrophobicContact CB-CG 3.97Å; F122-L128 HydrophobicContact CD1-CD2 3.78Å; F122-L128 HydrophobicContact CD1-CG 4.31Å; F122-L128 HydrophobicContact CE1-CD2 4.34Å; F122-L128 HydrophobicContact CG-CD1 4.19Å; F122-L128 HydrophobicContact CG-CD2 4.09Å; F122-L128 HydrophobicContact CG-CG 4.28Å; F122-L306 HydrophobicContact CD2-CD2 4.37Å; F122-L306 HydrophobicContact CE2-CD2 3.95Å; F122-L306 HydrophobicContact CZ-CD2 4.07Å; F122-L309 HydrophobicContact CE2-CD1 4.34Å; F122-L309 HydrophobicContact CZ-CD1 3.65Å; F122-M316 HydrophobicContact CE2-CG 4.15Å; F122-M316 HydrophobicContact CE2-SD 4.27Å; F122-F317 PolarHBondContact N-O 3.06Å; F122-L318 HydrophobicContact CB-CD1 4.22Å; F122-L318 WeakPolarHBondContact O-CD1 3.26Å; F122-I319 PolarHBondContact O-N 3.13Å; F122-F343 HydrophobicContact CD2-CE1 4.02Å; F122-F408 CarbonylContact C-O 3.53Å; F122-F408 HydrophobicContact CD1-CB 4.08Å; F122-F408 AromaticContact CD1-CD2 3.93Å; F122-F408 HydrophobicContact CD1-CD2 3.93Å; F122-F408 HydrophobicContact CD1-CG 4.36Å; F122-F408 AromaticContact CE1-CD2 3.61Å; F122-F408 HydrophobicContact CE1-CD2 3.61Å; F122-F408 HydrophobicContact CE1-CE2 4.18Å; F122-F408 HydrophobicContact CE1-CG 4.35Å; F122-F408 HydrophobicContact CZ-CD2 4.32Å; F122-I525 HydrophobicContact CD1-CD1 4.49Å; F122-I525 HydrophobicContact CE1-CD1 3.97Å; F122-I525 HydrophobicContact CE1-CG1 4.08Å
123	D	97.9	Very high	96.3	Very high	10 Å²	10	25 Å²	25	5%	0.053	12%	0.121	C	C	.	.			trans	-75.6	164	148.2	-164	14.6	0	0	0	110.8	T127 L128 I319 K352 F408	D123-T127 HydrophobicContact CB-CG2 4.3Å; D123-T127 WeakPolarHBondContact O-CB 3.32Å; D123-T127 WeakPolarHBondContact O-CG2 3.46Å; D123-L128 WeakPolarHBondContact O-CG 3.19Å; D123-I319 VanDerWaalsContact OD1-O 3.13Å; D123-K352 IonicContact OD1-NZ 3.11Å; D123-K352 PolarHBondContact OD1-NZ 2.76Å; D123-K352 IonicContact OD2-NZ 2.67Å; D123-K352 PolarHBondContact OD2-NZ 3.19Å; D123-F408 PolarHBondContact N-O 3.48Å
124	Y	96.9	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-91.6	-67.4	177.1	-178.1	-112.3	0	0	0	112	T127 L128 A129 F326 V327 G330 M331	Y124-T127 PolarHBondContact O-N 3.31Å; Y124-L128 HydrophobicContact CD2-CB 4.48Å; Y124-L128 PolarHBondContact O-N 2.89Å; Y124-A129 HydrophobicContact CD2-CB 4.41Å; Y124-A129 HydrophobicContact CE1-CB 4.01Å; Y124-A129 HydrophobicContact CE2-CB 3.86Å; Y124-A129 PolarHBondContact O-N 2.84Å; Y124-F326 HydrophobicContact CD1-CE1 4.41Å; Y124-F326 AromaticContact CE1-CD1 4Å; Y124-F326 HydrophobicContact CE1-CD1 4Å; Y124-F326 AromaticContact CE1-CE1 3.73Å; Y124-F326 HydrophobicContact CE1-CE1 3.73Å; Y124-V327 HydrophobicContact CD1-CG2 3.95Å; Y124-V327 HydrophobicContact CD2-CG1 4.21Å; Y124-V327 HydrophobicContact CE1-CG2 4.24Å; Y124-V327 HydrophobicContact CE2-CG1 4.37Å; Y124-V327 HydrophobicContact CG-CG1 4.47Å; Y124-V327 HydrophobicContact CG-CG2 4.19Å; Y124-G330 VanDerWaalsContact OH-CA 3.25Å; Y124-G330 WeakPolarHBondContact OH-CA 3.45Å; Y124-M331 HydrophobicContact CD2-CG 4.21Å; Y124-M331 HydrophobicContact CD2-SD 4Å; Y124-M331 HydrophobicContact CE2-CG 3.7Å; Y124-M331 HydrophobicContact CE2-SD 3.64Å
125	D	95.4	Very high	96	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-66.8	132.7	-172.9	-63.1	-73.1	0	0	0	110.9	T127 Y131 F240 S322	D125-T127 PolarHBondContact O-N 3.45Å; D125-Y131 HydrophobicContact CB-CE2 4.05Å; D125-Y131 PolarHBondContact OD1-OH 3.17Å; D125-F240 HydrophobicContact CB-CE2 3.97Å; D125-F240 HydrophobicContact CB-CZ 4.04Å; D125-S322 PolarHBondContact OD2-OG 2.92Å
126	Y	94.8	Very high	95.9	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.027	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	7.6	-175.2	-72.6	-69.5	0	0	0	116.7	A129 Y131 H136 I239 F240 I430	Y126-A129 VanDerWaalsContact CA-O 3.31Å; Y126-A129 WeakPolarHBondContact CA-O 3.49Å; Y126-A129 PolarHBondContact N-O 3.26Å; Y126-Y131 HydrophobicContact CD1-CD2 4.11Å; Y126-Y131 AromaticContact CD2-CD2 3.98Å; Y126-Y131 HydrophobicContact CD2-CD2 3.98Å; Y126-Y131 HydrophobicContact CD2-CE2 4.45Å; Y126-Y131 AromaticContact CE1-CD2 3.91Å; Y126-Y131 HydrophobicContact CE1-CD2 3.91Å; Y126-Y131 HydrophobicContact CE1-CG 4.36Å; Y126-Y131 AromaticContact CE2-CD2 3.79Å; Y126-Y131 HydrophobicContact CE2-CD2 3.79Å; Y126-Y131 HydrophobicContact CG-CD2 4.13Å; Y126-Y131 AromaticContact CZ-CD2 3.74Å; Y126-H136 AromaticContact CZ-NE2 3.96Å; Y126-H136 PolarHBondContact OH-NE2 2.86Å; Y126-I239 HydrophobicContact CD1-CD1 3.9Å; Y126-I239 HydrophobicContact CD1-CG2 4.27Å; Y126-I239 HydrophobicContact CD2-CB 4.06Å; Y126-I239 HydrophobicContact CD2-CD1 4.43Å; Y126-I239 HydrophobicContact CD2-CG2 4.28Å; Y126-I239 HydrophobicContact CE1-CB 4.46Å; Y126-I239 HydrophobicContact CE1-CD1 4.38Å; Y126-I239 HydrophobicContact CE1-CG2 3.73Å; Y126-I239 HydrophobicContact CE2-CB 3.9Å; Y126-I239 HydrophobicContact CE2-CG2 3.72Å; Y126-I239 HydrophobicContact CG-CB 4.41Å; Y126-I239 HydrophobicContact CG-CD1 3.94Å; Y126-I239 VanDerWaalsContact CZ-CG2 3.43Å; Y126-F240 HydrophobicContact CD2-CD2 4.06Å; Y126-F240 HydrophobicContact CD2-CE1 4.31Å; Y126-F240 AromaticContact CD2-CE2 3.51Å; Y126-F240 HydrophobicContact CD2-CE2 3.51Å; Y126-F240 AromaticContact CD2-CZ 3.66Å; Y126-F240 HydrophobicContact CD2-CZ 3.66Å; Y126-F240 AromaticContact CE2-CD1 3.95Å; Y126-F240 HydrophobicContact CE2-CD1 3.95Å; Y126-F240 AromaticContact CE2-CD2 3.97Å; Y126-F240 HydrophobicContact CE2-CD2 3.97Å; Y126-F240 AromaticContact CE2-CE1 3.62Å; Y126-F240 HydrophobicContact CE2-CE1 3.62Å; Y126-F240 AromaticContact CE2-CE2 3.62Å; Y126-F240 HydrophobicContact CE2-CE2 3.62Å; Y126-F240 HydrophobicContact CE2-CG 4.12Å; Y126-F240 AromaticContact CE2-CZ 3.43Å; Y126-F240 HydrophobicContact CE2-CZ 3.43Å; Y126-F240 VanDerWaalsContact CE2-CZ 3.43Å; Y126-I430 WeakPolarHBondContact O-CG2 3.4Å
127	T	96.4	Very high	95.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-56.9	177.4	-64.6	0	0	0	0	111.6	D123 Y124 D125 F130 F408 G409 D410 I430	D123-T127 HydrophobicContact CB-CG2 4.3Å; D123-T127 WeakPolarHBondContact O-CB 3.32Å; D123-T127 WeakPolarHBondContact O-CG2 3.46Å; Y124-T127 PolarHBondContact O-N 3.31Å; D125-T127 PolarHBondContact O-N 3.45Å; T127-F130 VanDerWaalsContact O-CE2 3.22Å; T127-F130 WeakPolarHBondContact O-CE2 3.32Å; T127-F408 HydrophobicContact CG2-CB 3.91Å; T127-G409 WeakPolarHBondContact OG1-CA 3.44Å; T127-D410 PolarHBondContact OG1-N 3.44Å; T127-D410 VanDerWaalsContact OG1-N 3.15Å; T127-I430 HydrophobicContact CG2-CG1 4.11Å
128	L	96.7	Very high	95.9	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-41.8	171.5	-69.3	179.3	0	0	0	111.4	F122 D123 Y124 S302 L306 L318 M331 F343	F122-L128 HydrophobicContact CB-CD1 3.78Å; F122-L128 HydrophobicContact CB-CD2 4.34Å; F122-L128 HydrophobicContact CB-CG 3.97Å; F122-L128 HydrophobicContact CD1-CD2 3.78Å; F122-L128 HydrophobicContact CD1-CG 4.31Å; F122-L128 HydrophobicContact CE1-CD2 4.34Å; F122-L128 HydrophobicContact CG-CD1 4.19Å; F122-L128 HydrophobicContact CG-CD2 4.09Å; F122-L128 HydrophobicContact CG-CG 4.28Å; D123-L128 WeakPolarHBondContact O-CG 3.19Å; Y124-L128 HydrophobicContact CD2-CB 4.48Å; Y124-L128 PolarHBondContact O-N 2.89Å; L128-S302 WeakPolarHBondContact O-CB 3.14Å; L128-S302 PolarHBondContact O-OG 3.08Å; L128-L306 HydrophobicContact CD2-CD1 4.4Å; L128-L306 HydrophobicContact CD2-CD2 4.14Å; L128-L306 HydrophobicContact CD2-CG 4.44Å; L128-L318 HydrophobicContact CD1-CD1 3.85Å; L128-M331 HydrophobicContact CD1-SD 4.34Å; L128-F343 HydrophobicContact CD1-CE1 4.43Å; L128-F343 HydrophobicContact CD1-CZ 4Å
129	A	95.9	Very high	95.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-98.8	105.6	175.9	0	0	0	0	0	109.9	Y124 Y126 I296 I334	Y124-A129 HydrophobicContact CD2-CB 4.41Å; Y124-A129 HydrophobicContact CE1-CB 4.01Å; Y124-A129 HydrophobicContact CE2-CB 3.86Å; Y124-A129 PolarHBondContact O-N 2.84Å; Y126-A129 VanDerWaalsContact CA-O 3.31Å; Y126-A129 WeakPolarHBondContact CA-O 3.49Å; Y126-A129 PolarHBondContact N-O 3.26Å; A129-I296 HydrophobicContact CB-CD1 4.41Å; A129-I334 HydrophobicContact CB-CD1 3.98Å
130	F	93.7	Very high	95.8	Very high	11 Å²	11	15.3 Å²	15.3	5%	0.048	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.3	174.7	-69.8	-95.8	0	0	0	109.6	T127 I296 W297 Y298 I430 P432 I525	T127-F130 VanDerWaalsContact O-CE2 3.22Å; T127-F130 WeakPolarHBondContact O-CE2 3.32Å; F130-I296 CarbonylContact O-C 3.54Å; F130-I296 WeakPolarHBondContact O-CA 2.98Å; F130-W297 PolarHBondContact O-N 3Å; F130-Y298 HydrophobicContact CB-CD2 3.95Å; F130-Y298 HydrophobicContact CG-CD2 4.14Å; F130-I430 HydrophobicContact CE1-CG2 3.7Å; F130-I430 HydrophobicContact CZ-CG2 3.7Å; F130-P432 HydrophobicContact CD1-CG 4.29Å; F130-P432 HydrophobicContact CE1-CG 4.11Å; F130-I525 HydrophobicContact CE2-CG2 4.43Å
131	Y	93.9	Very high	95.8	Very high	17 Å²	17	17.6 Å²	17.6	7%	0.067	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.6	-177.8	-60.8	-75.7	0	0	0	113	D125 Y126 L135 F240 V288 Y295 I296 F326	D125-Y131 HydrophobicContact CB-CE2 4.05Å; D125-Y131 PolarHBondContact OD1-OH 3.17Å; Y126-Y131 HydrophobicContact CD1-CD2 4.11Å; Y126-Y131 AromaticContact CD2-CD2 3.98Å; Y126-Y131 HydrophobicContact CD2-CD2 3.98Å; Y126-Y131 HydrophobicContact CD2-CE2 4.45Å; Y126-Y131 AromaticContact CE1-CD2 3.91Å; Y126-Y131 HydrophobicContact CE1-CD2 3.91Å; Y126-Y131 HydrophobicContact CE1-CG 4.36Å; Y126-Y131 AromaticContact CE2-CD2 3.79Å; Y126-Y131 HydrophobicContact CE2-CD2 3.79Å; Y126-Y131 HydrophobicContact CG-CD2 4.13Å; Y126-Y131 AromaticContact CZ-CD2 3.74Å; Y131-L135 VanDerWaalsContact CB-CD2 3.45Å; Y131-L135 HydrophobicContact CD1-CD2 3.55Å; Y131-L135 HydrophobicContact CD2-CD2 3.74Å; Y131-L135 HydrophobicContact CE1-CD2 4.16Å; Y131-L135 HydrophobicContact CE2-CD2 4.33Å; Y131-L135 HydrophobicContact CG-CD2 3.28Å; Y131-F240 HydrophobicContact CD2-CZ 4.36Å; Y131-F240 HydrophobicContact CE2-CZ 4.06Å; Y131-V288 HydrophobicContact CE1-CG1 4.5Å; Y131-Y295 CarbonylContact C-O 3.53Å; Y131-Y295 WeakPolarHBondContact CA-O 3.47Å; Y131-I296 HydrophobicContact CD1-CG1 4.27Å; Y131-I296 HydrophobicContact CE1-CG1 4.06Å; Y131-F326 HydrophobicContact CE1-CZ 4.35Å; Y131-F326 VanDerWaalsContact OH-CE1 3.29Å; Y131-F326 WeakPolarHBondContact OH-CE1 3.46Å; Y131-F326 VanDerWaalsContact OH-CZ 3.32Å; Y131-F326 WeakPolarHBondContact OH-CZ 3.45Å
132	S	92.6	Very high	95.7	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-74.5	162.9	172.1	80.7	0	0	0	0	111.7	H134 L135 K294 Y295	S132-H134 PolarHBondContact O-N 3.37Å; S132-H134 VanDerWaalsContact O-N 3.09Å; S132-H134 WeakPolarHBondContact OG-CB 3.33Å; S132-H134 PolarHBondContact OG-N 3.43Å; S132-H134 PolarHBondContact OG-ND1 3.03Å; S132-L135 WeakPolarHBondContact O-CB 3.44Å; S132-L135 PolarHBondContact O-N 3.45Å; S132-K294 PolarHBondContact OG-O 3.01Å; S132-Y295 PolarHBondContact N-O 3.29Å
133	S	89.9	Confident	95.7	Very high	70 Å²	70	19 Å²	19	49%	0.49	10%	0.103	S	C	.	.	H	α-helix	trans	-60.4	-19.2	177.2	53.8	0	0	0	0	113.7	L135 H136 T137	S133-L135 PolarHBondContact O-N 3.47Å; S133-H136 PolarHBondContact O-N 3.21Å; S133-T137 PolarHBondContact O-N 2.95Å
134	H	94.5	Very high	95.7	Very high	88 Å²	88	19.6 Å²	19.6	41%	0.407	10%	0.104	S	C	.	.	H	α-helix	trans	-60.4	-30.3	174.3	-59.8	95.7	0	0	0	112.2	S132 H136 T137 L138 K294 Y295	S132-H134 PolarHBondContact O-N 3.37Å; S132-H134 VanDerWaalsContact O-N 3.09Å; S132-H134 WeakPolarHBondContact OG-CB 3.33Å; S132-H134 PolarHBondContact OG-N 3.43Å; S132-H134 PolarHBondContact OG-ND1 3.03Å; H134-H136 VanDerWaalsContact C-N 3.33Å; H134-H136 PolarHBondContact O-N 3Å; H134-T137 PolarHBondContact O-N 3.42Å; H134-L138 WeakPolarHBondContact O-CB 3.36Å; H134-L138 PolarHBondContact O-N 3.28Å; H134-K294 HydrophobicContact CB-CG 4.44Å; H134-Y295 HydrophobicContact CB-CD1 4Å; H134-Y295 HydrophobicContact CB-CE1 3.77Å
135	L	95.1	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-39.2	178.3	-177.5	59	0	0	0	111.6	Y131 S132 S133 L138 I139 F240 M284 V288 Y295	Y131-L135 VanDerWaalsContact CB-CD2 3.45Å; Y131-L135 HydrophobicContact CD1-CD2 3.55Å; Y131-L135 HydrophobicContact CD2-CD2 3.74Å; Y131-L135 HydrophobicContact CE1-CD2 4.16Å; Y131-L135 HydrophobicContact CE2-CD2 4.33Å; Y131-L135 HydrophobicContact CG-CD2 3.28Å; S132-L135 WeakPolarHBondContact O-CB 3.44Å; S132-L135 PolarHBondContact O-N 3.45Å; S133-L135 PolarHBondContact O-N 3.47Å; L135-L138 HydrophobicContact CD1-CD2 4.19Å; L135-L138 PolarHBondContact O-N 3.42Å; L135-I139 HydrophobicContact CD1-CD1 4.11Å; L135-I139 HydrophobicContact CD1-CG1 4.27Å; L135-I139 HydrophobicContact CG-CD1 3.91Å; L135-I139 HydrophobicContact CG-CG1 4.48Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 2.89Å; L135-F240 HydrophobicContact CD2-CE1 3.86Å; L135-M284 HydrophobicContact CD1-CG 3.68Å; L135-M284 HydrophobicContact CD1-SD 4.2Å; L135-V288 HydrophobicContact CD1-CG2 3.81Å; L135-Y295 HydrophobicContact CB-CD1 4.15Å
136	H	95.5	Very high	95.9	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.102	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-41.9	178.2	-63	163.4	0	0	0	111.8	Y126 S133 H134 I139 F140 Y162 P243	Y126-H136 AromaticContact CZ-NE2 3.96Å; Y126-H136 PolarHBondContact OH-NE2 2.86Å; S133-H136 PolarHBondContact O-N 3.21Å; H134-H136 VanDerWaalsContact C-N 3.33Å; H134-H136 PolarHBondContact O-N 3Å; H136-I139 PolarHBondContact O-N 3.37Å; H136-F140 WeakPolarHBondContact O-CB 3.23Å; H136-F140 PolarHBondContact O-N 2.93Å; H136-Y162 HydrophobicContact CB-CD1 4.3Å; H136-Y162 HydrophobicContact CB-CE1 3.57Å; H136-Y162 HydrophobicContact CB-CE2 4.38Å; H136-P243 HydrophobicContact CB-CG 3.84Å; H136-P243 WeakPolarHBondContact O-CG 3.41Å
137	T	96.4	Very high	96	Very high	52 Å²	52	21.8 Å²	21.8	32%	0.319	12%	0.116	S	C	.	.	H	α-helix	trans	-62	-47	175.7	-52.7	0	0	0	0	110.6	S133 H134 I139 F140 D141	S133-T137 PolarHBondContact O-N 2.95Å; H134-T137 PolarHBondContact O-N 3.42Å; T137-I139 PolarHBondContact O-N 3.1Å; T137-F140 PolarHBondContact O-N 3.46Å; T137-D141 WeakPolarHBondContact O-CB 3.43Å; T137-D141 PolarHBondContact O-N 3.06Å
138	L	96.3	Very high	96.1	Very high	30 Å²	30	22 Å²	22	16%	0.157	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-48.7	176.8	176.6	69.7	0	0	0	112.2	H134 L135 F140 D141 I142 A287 Y295	H134-L138 WeakPolarHBondContact O-CB 3.36Å; H134-L138 PolarHBondContact O-N 3.28Å; L135-L138 HydrophobicContact CD1-CD2 4.19Å; L135-L138 PolarHBondContact O-N 3.42Å; L138-F140 VanDerWaalsContact C-N 3.34Å; L138-F140 PolarHBondContact O-N 3.18Å; L138-D141 PolarHBondContact O-N 3.45Å; L138-I142 HydrophobicContact CD1-CD1 3.6Å; L138-I142 HydrophobicContact CD1-CG1 4.2Å; L138-I142 HydrophobicContact CG-CD1 3.76Å; L138-I142 WeakPolarHBondContact O-CD1 3.42Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 3.49Å; L138-I142 VanDerWaalsContact O-N 3.08Å; L138-A287 HydrophobicContact CD1-CB 4.13Å; L138-A287 HydrophobicContact CD2-CB 3.66Å; L138-A287 HydrophobicContact CG-CB 4.48Å; L138-Y295 HydrophobicContact CB-CE1 4.37Å; L138-Y295 HydrophobicContact CD2-CE1 3.98Å
139	I	97.2	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-44.3	179.7	-68.7	167.2	0	0	0	110.4	L135 H136 T137 A143 F240 P243 I275 V278 M284	L135-I139 HydrophobicContact CD1-CD1 4.11Å; L135-I139 HydrophobicContact CD1-CG1 4.27Å; L135-I139 HydrophobicContact CG-CD1 3.91Å; L135-I139 HydrophobicContact CG-CG1 4.48Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 2.89Å; H136-I139 PolarHBondContact O-N 3.37Å; T137-I139 PolarHBondContact O-N 3.1Å; I139-A143 VanDerWaalsContact O-CB 3.23Å; I139-A143 WeakPolarHBondContact O-CB 3.23Å; I139-A143 PolarHBondContact O-N 2.88Å; I139-F240 HydrophobicContact CD1-CD1 3.81Å; I139-F240 HydrophobicContact CD1-CE1 4.35Å; I139-P243 HydrophobicContact CB-CB 4.15Å; I139-P243 HydrophobicContact CB-CG 4.03Å; I139-P243 HydrophobicContact CG2-CB 3.78Å; I139-P243 HydrophobicContact CG2-CG 4Å; I139-I275 HydrophobicContact CG2-CD1 3.78Å; I139-V278 HydrophobicContact CG1-CG1 4.19Å; I139-V278 HydrophobicContact CG2-CG1 4.34Å; I139-M284 HydrophobicContact CG1-CG 4.27Å
140	F	98.1	Very high	96.2	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-51.7	177.9	179.2	-84.4	0	0	0	111.6	H136 T137 L138 I142 A143 R144 E161 Y162 P243 T246 L247 C250	H136-F140 WeakPolarHBondContact O-CB 3.23Å; H136-F140 PolarHBondContact O-N 2.93Å; T137-F140 PolarHBondContact O-N 3.46Å; L138-F140 VanDerWaalsContact C-N 3.34Å; L138-F140 PolarHBondContact O-N 3.18Å; F140-I142 PolarHBondContact O-N 2.83Å; F140-A143 PolarHBondContact O-N 3.27Å; F140-R144 WeakPolarHBondContact O-CB 3.42Å; F140-R144 PolarHBondContact O-N 3.11Å; F140-E161 VanDerWaalsContact CE1-C 3.4Å; F140-Y162 HydrophobicContact CB-CD2 3.87Å; F140-Y162 HydrophobicContact CB-CG 4.11Å; F140-Y162 AromaticContact CD2-CD2 3.77Å; F140-Y162 HydrophobicContact CD2-CD2 3.77Å; F140-Y162 HydrophobicContact CD2-CG 4.48Å; F140-Y162 VanDerWaalsContact CE1-N 3.34Å; F140-Y162 AromaticContact CG-CD2 3.92Å; F140-Y162 HydrophobicContact CG-CD2 3.92Å; F140-Y162 HydrophobicContact CG-CG 4.24Å; F140-P243 HydrophobicContact CB-CB 4.11Å; F140-T246 HydrophobicContact CD2-CG2 4.3Å; F140-T246 HydrophobicContact CE2-CG2 3.93Å; F140-L247 HydrophobicContact CD2-CB 3.93Å; F140-L247 HydrophobicContact CD2-CD1 4.4Å; F140-L247 HydrophobicContact CE2-CB 3.8Å; F140-L247 HydrophobicContact CE2-CD1 3.87Å; F140-L247 HydrophobicContact CE2-CG 4.44Å; F140-L247 HydrophobicContact CZ-CD1 3.99Å; F140-C250 HydrophobicContact CZ-CB 4.34Å
141	D	97.5	Very high	96.3	Very high	48 Å²	48	33.1 Å²	33.1	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-45.6	-176	-75.8	-32.4	0	0	0	111.6	T137 L138 A143 R144 D145	T137-D141 WeakPolarHBondContact O-CB 3.43Å; T137-D141 PolarHBondContact O-N 3.06Å; L138-D141 PolarHBondContact O-N 3.45Å; D141-A143 PolarHBondContact O-N 3.17Å; D141-R144 PolarHBondContact O-N 2.79Å; D141-R144 IonicContact OD1-CZ 2.71Å; D141-R144 IonicContact OD1-NH1 2.65Å; D141-R144 PolarHBondContact OD1-NH1 2.99Å; D141-R144 IonicContact OD1-NH2 2.56Å; D141-R144 PolarHBondContact OD1-NH2 3.38Å; D141-D145 WeakPolarHBondContact O-CB 3.28Å; D141-D145 PolarHBondContact O-N 3.38Å
142	I	97.1	Very high	96.4	Very high	30 Å²	30	43 Å²	43	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-44.5	177.5	-61.2	163.5	0	0	0	110.3	L138 F140 D145 I146 V278 I283	L138-I142 HydrophobicContact CD1-CD1 3.6Å; L138-I142 HydrophobicContact CD1-CG1 4.2Å; L138-I142 HydrophobicContact CG-CD1 3.76Å; L138-I142 WeakPolarHBondContact O-CD1 3.42Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 3.49Å; L138-I142 VanDerWaalsContact O-N 3.08Å; F140-I142 PolarHBondContact O-N 2.83Å; I142-D145 PolarHBondContact O-N 3.38Å; I142-I146 HydrophobicContact CG2-CD1 3.9Å; I142-I146 HydrophobicContact CG2-CG1 4.4Å; I142-I146 VanDerWaalsContact O-CG1 3.29Å; I142-I146 WeakPolarHBondContact O-CG1 3.45Å; I142-I146 PolarHBondContact O-N 3.15Å; I142-V278 HydrophobicContact CB-CG2 3.98Å; I142-V278 HydrophobicContact CG2-CG2 3.7Å; I142-I283 HydrophobicContact CD1-CG2 3.75Å; I142-I283 HydrophobicContact CG1-CG2 4.42Å; I142-I283 HydrophobicContact CG2-CD1 4.15Å; I142-I283 HydrophobicContact CG2-CG2 3.98Å
143	A	98.2	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-42.1	-179.8	0	0	0	0	0	111.8	I139 F140 D141 D145 I146 L147 L247 A274 I275 V278	I139-A143 VanDerWaalsContact O-CB 3.23Å; I139-A143 WeakPolarHBondContact O-CB 3.23Å; I139-A143 PolarHBondContact O-N 2.88Å; F140-A143 PolarHBondContact O-N 3.27Å; D141-A143 PolarHBondContact O-N 3.17Å; A143-D145 VanDerWaalsContact C-N 3.34Å; A143-D145 PolarHBondContact O-N 2.95Å; A143-I146 PolarHBondContact O-N 3.37Å; A143-L147 WeakPolarHBondContact O-CG 3.39Å; A143-L147 PolarHBondContact O-N 3.16Å; A143-L247 HydrophobicContact CB-CD2 3.57Å; A143-A274 HydrophobicContact CB-CB 4.24Å; A143-I275 HydrophobicContact CB-CD1 3.59Å; A143-I275 HydrophobicContact CB-CG1 4.14Å; A143-V278 HydrophobicContact CB-CG2 4.06Å
144	R	98.3	Very high	97.1	Very high	22 Å²	22	42.7 Å²	42.7	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-48.3	172.1	-179.5	-162.7	68.4	-141.7	-12.9	110.9	F140 D141 I146 L147 I148 L157 Y160 L247	F140-R144 WeakPolarHBondContact O-CB 3.42Å; F140-R144 PolarHBondContact O-N 3.11Å; D141-R144 PolarHBondContact O-N 2.79Å; D141-R144 IonicContact OD1-CZ 2.71Å; D141-R144 IonicContact OD1-NH1 2.65Å; D141-R144 PolarHBondContact OD1-NH1 2.99Å; D141-R144 IonicContact OD1-NH2 2.56Å; D141-R144 PolarHBondContact OD1-NH2 3.38Å; R144-I146 VanDerWaalsContact C-N 3.3Å; R144-I146 PolarHBondContact O-N 3.36Å; R144-L147 WeakPolarHBondContact O-CB 3.42Å; R144-L147 PolarHBondContact O-N 2.98Å; R144-L147 VanDerWaalsContact O-N 3.12Å; R144-I148 HydrophobicContact CG-CD1 4.1Å; R144-I148 WeakPolarHBondContact O-CG1 3.31Å; R144-I148 PolarHBondContact O-N 3.37Å; R144-L157 WeakPolarHBondContact CD-O 3.28Å; R144-Y160 WeakPolarHBondContact CD-O 3.45Å; R144-Y160 PolarHBondContact NH1-O 3.18Å; R144-L247 HydrophobicContact CB-CD1 4.03Å; R144-L247 HydrophobicContact CG-CD1 4.48Å
145	D	97.7	Very high	97.2	Very high	50 Å²	50	43 Å²	43	27%	0.267	21%	0.208	S	C	.	.	H	α-helix	trans	-68	-31.1	-178.4	-67.9	-6	0	0	0	111.7	D141 I142 A143 N149	D141-D145 WeakPolarHBondContact O-CB 3.28Å; D141-D145 PolarHBondContact O-N 3.38Å; I142-D145 PolarHBondContact O-N 3.38Å; A143-D145 VanDerWaalsContact C-N 3.34Å; A143-D145 PolarHBondContact O-N 2.95Å; D145-N149 VanDerWaalsContact O-CB 3.27Å; D145-N149 WeakPolarHBondContact O-CB 3.37Å; D145-N149 VanDerWaalsContact O-CG 3.23Å; D145-N149 PolarHBondContact O-N 2.9Å; D145-N149 PolarHBondContact O-ND2 2.99Å
146	I	97.6	Very high	97.3	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-43.6	170.1	-72.5	166.6	0	0	0	110.8	I142 A143 R144 I148 N150 H151 A274 D277 V278 I283	I142-I146 HydrophobicContact CG2-CD1 3.9Å; I142-I146 HydrophobicContact CG2-CG1 4.4Å; I142-I146 VanDerWaalsContact O-CG1 3.29Å; I142-I146 WeakPolarHBondContact O-CG1 3.45Å; I142-I146 PolarHBondContact O-N 3.15Å; A143-I146 PolarHBondContact O-N 3.37Å; R144-I146 VanDerWaalsContact C-N 3.3Å; R144-I146 PolarHBondContact O-N 3.36Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 PolarHBondContact O-N 3.42Å; I146-N150 HydrophobicContact CG2-CB 4.34Å; I146-N150 WeakPolarHBondContact O-CA 3.47Å; I146-N150 VanDerWaalsContact O-CB 3.25Å; I146-N150 WeakPolarHBondContact O-CB 3.35Å; I146-N150 PolarHBondContact O-N 3.23Å; I146-H151 PolarHBondContact O-N 3.1Å; I146-A274 HydrophobicContact CB-CB 4.14Å; I146-A274 HydrophobicContact CG2-CB 3.77Å; I146-D277 HydrophobicContact CD1-CB 4.04Å; I146-V278 HydrophobicContact CD1-CG2 4.07Å; I146-I283 HydrophobicContact CD1-CD1 4.31Å
147	L	98.3	Very high	97.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-44.5	177.4	-67.5	171.7	0	0	0	111.7	A143 R144 H151 R152 Y153 L247 V251 D270 V271 A274	A143-L147 WeakPolarHBondContact O-CG 3.39Å; A143-L147 PolarHBondContact O-N 3.16Å; R144-L147 WeakPolarHBondContact O-CB 3.42Å; R144-L147 PolarHBondContact O-N 2.98Å; R144-L147 VanDerWaalsContact O-N 3.12Å; L147-H151 HydrophobicContact CD2-CB 4.48Å; L147-H151 CarbonylContact O-C 3.6Å; L147-H151 VanDerWaalsContact O-C 3.29Å; L147-H151 WeakPolarHBondContact O-CA 3.49Å; L147-H151 WeakPolarHBondContact O-CB 3.32Å; L147-H151 PolarHBondContact O-N 3.37Å; L147-H151 VanDerWaalsContact O-N 3.17Å; L147-R152 PolarHBondContact O-N 3.18Å; L147-R152 VanDerWaalsContact O-N 3.08Å; L147-Y153 HydrophobicContact CB-CD2 4.2Å; L147-Y153 HydrophobicContact CB-CG 4.15Å; L147-Y153 HydrophobicContact CD2-CD2 4.47Å; L147-Y153 HydrophobicContact CD2-CE2 4.26Å; L147-Y153 PolarHBondContact O-N 2.88Å; L147-Y153 VanDerWaalsContact O-N 3.07Å; L147-L247 HydrophobicContact CD1-CD1 4.22Å; L147-L247 HydrophobicContact CD1-CD2 3.81Å; L147-L247 HydrophobicContact CD1-CG 4.06Å; L147-V251 HydrophobicContact CD1-CG2 4.19Å; L147-D270 HydrophobicContact CD2-CB 3.9Å; L147-V271 HydrophobicContact CD1-CG2 3.87Å; L147-V271 HydrophobicContact CD2-CG2 4.48Å; L147-A274 HydrophobicContact CD2-CB 3.91Å; L147-A274 HydrophobicContact CG-CB 3.97Å
148	I	98.4	Very high	97.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-55.8	178.7	-64.4	168.5	0	0	0	110.2	R144 I146 R152 E155 L157 R158	R144-I148 HydrophobicContact CG-CD1 4.1Å; R144-I148 WeakPolarHBondContact O-CG1 3.31Å; R144-I148 PolarHBondContact O-N 3.37Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 PolarHBondContact O-N 3.42Å; I148-R152 WeakPolarHBondContact O-CA 3.22Å; I148-R152 PolarHBondContact O-N 3.01Å; I148-E155 HydrophobicContact CG2-CG 4.32Å; I148-E155 WeakPolarHBondContact CG2-OE1 3.44Å; I148-E155 WeakPolarHBondContact CG2-OE2 3.31Å; I148-L157 HydrophobicContact CD1-CB 4.01Å; I148-L157 HydrophobicContact CG1-CB 4.17Å; I148-R158 HydrophobicContact CD1-CB 4.05Å
149	N	97.5	Very high	97.4	Very high	96 Å²	96	56.2 Å²	56.2	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-76.5	-39.1	-169.6	-64.2	-46.2	0	0	0	113.3	D145	D145-N149 VanDerWaalsContact O-CB 3.27Å; D145-N149 WeakPolarHBondContact O-CB 3.37Å; D145-N149 VanDerWaalsContact O-CG 3.23Å; D145-N149 PolarHBondContact O-N 2.9Å; D145-N149 PolarHBondContact O-ND2 2.99Å
150	N	96.1	Very high	97.4	Very high	99 Å²	99	57.9 Å²	57.9	53%	0.529	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-40.5	-172.2	-58.7	-3.3	0	0	0	112.1	I146	I146-N150 HydrophobicContact CG2-CB 4.34Å; I146-N150 WeakPolarHBondContact O-CA 3.47Å; I146-N150 VanDerWaalsContact O-CB 3.25Å; I146-N150 WeakPolarHBondContact O-CB 3.35Å; I146-N150 PolarHBondContact O-N 3.23Å
151	H	95.9	Very high	97.4	Very high	51 Å²	51	65 Å²	65	24%	0.236	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.5	179.5	-60.2	-106.1	0	0	0	112.7	I146 L147 Y153 D270 E273	I146-H151 PolarHBondContact O-N 3.1Å; L147-H151 HydrophobicContact CD2-CB 4.48Å; L147-H151 CarbonylContact O-C 3.6Å; L147-H151 VanDerWaalsContact O-C 3.29Å; L147-H151 WeakPolarHBondContact O-CA 3.49Å; L147-H151 WeakPolarHBondContact O-CB 3.32Å; L147-H151 PolarHBondContact O-N 3.37Å; L147-H151 VanDerWaalsContact O-N 3.17Å; H151-Y153 VanDerWaalsContact C-N 3.26Å; H151-Y153 HydrophobicContact CB-CD2 3.6Å; H151-Y153 HydrophobicContact CB-CE2 3.69Å; H151-Y153 PolarHBondContact O-N 3.11Å; H151-D270 IonicContact CE1-OD1 3.22Å; H151-D270 IonicContact ND1-OD1 3.2Å; H151-D270 PolarHBondContact ND1-OD1 3.49Å; H151-E273 IonicContact CE1-OE2 3.97Å
152	R	96.9	Very high	97.4	Very high	223 Å²	223	63.8 Å²	63.8	84%	0.842	29%	0.29	S	S	*	.			trans	59.8	33.5	177.2	-54.8	-176.9	176.7	-172.4	-1.7	113.7	L147 I148	L147-R152 PolarHBondContact O-N 3.18Å; L147-R152 VanDerWaalsContact O-N 3.08Å; I148-R152 WeakPolarHBondContact O-CA 3.22Å; I148-R152 PolarHBondContact O-N 3.01Å
153	Y	98	Very high	97.4	Very high	24 Å²	24	65.4 Å²	65.4	9%	0.094	30%	0.298	C	S	.	.			trans	-66.4	155	169.2	-79.3	-120.8	0	0	0	110	L147 H151 E155 L157 V251 F255 L267 D270	L147-Y153 HydrophobicContact CB-CD2 4.2Å; L147-Y153 HydrophobicContact CB-CG 4.15Å; L147-Y153 HydrophobicContact CD2-CD2 4.47Å; L147-Y153 HydrophobicContact CD2-CE2 4.26Å; L147-Y153 PolarHBondContact O-N 2.88Å; L147-Y153 VanDerWaalsContact O-N 3.07Å; H151-Y153 VanDerWaalsContact C-N 3.26Å; H151-Y153 HydrophobicContact CB-CD2 3.6Å; H151-Y153 HydrophobicContact CB-CE2 3.69Å; H151-Y153 PolarHBondContact O-N 3.11Å; Y153-E155 PolarHBondContact O-N 2.92Å; Y153-L157 HydrophobicContact CD1-CD1 3.85Å; Y153-L157 HydrophobicContact CG-CD1 4.2Å; Y153-V251 HydrophobicContact CD1-CG1 3.83Å; Y153-V251 HydrophobicContact CE1-CG1 3.62Å; Y153-F255 HydrophobicContact CD1-CE1 4.33Å; Y153-F255 AromaticContact CD1-CZ 3.73Å; Y153-F255 HydrophobicContact CD1-CZ 3.73Å; Y153-F255 HydrophobicContact CE1-CE1 4.43Å; Y153-F255 AromaticContact CE1-CE2 3.97Å; Y153-F255 HydrophobicContact CE1-CE2 3.97Å; Y153-F255 AromaticContact CE1-CZ 3.43Å; Y153-F255 HydrophobicContact CE1-CZ 3.43Å; Y153-F255 VanDerWaalsContact CE1-CZ 3.43Å; Y153-L267 HydrophobicContact CE1-CD1 4.08Å; Y153-D270 HydrophobicContact CE2-CB 4.13Å; Y153-D270 WeakPolarHBondContact CE2-OD2 3.47Å; Y153-D270 WeakPolarHBondContact OH-CB 3.25Å; Y153-D270 PolarHBondContact OH-OD2 3.06Å
154	P	97.6	Very high	97.2	Very high	42 Å²	42	69.6 Å²	69.6	27%	0.273	33%	0.325	S	S	.	.			trans	-56.4	137.2	-176.3	-30	40	0	0	0	113.7	E156 L157 F254	P154-E156 WeakPolarHBondContact CB-OE2 3.4Å; P154-E156 PolarHBondContact O-N 2.82Å; P154-L157 WeakPolarHBondContact O-CB 3.46Å; P154-L157 PolarHBondContact O-N 3.43Å; P154-F254 HydrophobicContact CB-CE1 3.82Å; P154-F254 HydrophobicContact CB-CZ 3.76Å; P154-F254 HydrophobicContact CG-CE1 3.78Å; P154-F254 HydrophobicContact CG-CZ 4.22Å
155	E	97.5	Very high	97	Very high	95 Å²	95	73.1 Å²	73.1	44%	0.444	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.2	-178.1	-72.8	-70.1	157.7	0	0	112.6	I148 Y153 L157 R158	I148-E155 HydrophobicContact CG2-CG 4.32Å; I148-E155 WeakPolarHBondContact CG2-OE1 3.44Å; I148-E155 WeakPolarHBondContact CG2-OE2 3.31Å; Y153-E155 PolarHBondContact O-N 2.92Å; E155-L157 PolarHBondContact O-N 2.79Å; E155-L157 VanDerWaalsContact O-N 3.15Å; E155-R158 WeakPolarHBondContact O-CB 3.45Å; E155-R158 PolarHBondContact O-N 2.91Å; E155-R158 IonicContact OE2-CZ 3.83Å; E155-R158 IonicContact OE2-NH1 2.87Å; E155-R158 PolarHBondContact OE2-NH1 3.31Å; E155-R158 IonicContact OE2-NH2 2.87Å; E155-R158 PolarHBondContact OE2-NH2 3.34Å
156	E	97.3	Very high	96.9	Very high	95 Å²	95	71.1 Å²	71.1	44%	0.444	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-60.5	-21.2	176.4	-66.6	83.3	176.1	0	0	113.1	P154 R158 K159 F254	P154-E156 WeakPolarHBondContact CB-OE2 3.4Å; P154-E156 PolarHBondContact O-N 2.82Å; E156-R158 PolarHBondContact O-N 2.95Å; E156-R158 VanDerWaalsContact O-N 3.14Å; E156-K159 WeakPolarHBondContact O-CB 3.17Å; E156-K159 WeakPolarHBondContact O-CG 3.31Å; E156-K159 PolarHBondContact O-N 2.81Å; E156-F254 HydrophobicContact CB-CE2 3.66Å; E156-F254 HydrophobicContact CB-CZ 4Å
157	L	96.8	Very high	96.9	Very high	3 Å²	3	70.9 Å²	70.9	2%	0.016	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58.4	-24.2	172.6	-76.6	175.6	0	0	0	112.6	R144 I148 Y153 P154 E155 K159 Y160 V251 F254	R144-L157 WeakPolarHBondContact CD-O 3.28Å; I148-L157 HydrophobicContact CD1-CB 4.01Å; I148-L157 HydrophobicContact CG1-CB 4.17Å; Y153-L157 HydrophobicContact CD1-CD1 3.85Å; Y153-L157 HydrophobicContact CG-CD1 4.2Å; P154-L157 WeakPolarHBondContact O-CB 3.46Å; P154-L157 PolarHBondContact O-N 3.43Å; E155-L157 PolarHBondContact O-N 2.79Å; E155-L157 VanDerWaalsContact O-N 3.15Å; L157-K159 PolarHBondContact O-N 2.84Å; L157-Y160 HydrophobicContact CD2-CD2 4.39Å; L157-Y160 WeakPolarHBondContact O-CB 3.44Å; L157-Y160 PolarHBondContact O-N 3.07Å; L157-V251 HydrophobicContact CD1-CG1 4.47Å; L157-V251 HydrophobicContact CD1-CG2 4.3Å; L157-V251 HydrophobicContact CD2-CG2 4.26Å; L157-F254 HydrophobicContact CD2-CB 3.51Å; L157-F254 HydrophobicContact CD2-CD1 3.82Å; L157-F254 HydrophobicContact CD2-CD2 3.87Å; L157-F254 HydrophobicContact CD2-CG 3.44Å; L157-F254 VanDerWaalsContact CD2-CG 3.44Å; L157-F254 HydrophobicContact CG-CD1 4.25Å; L157-F254 HydrophobicContact CG-CD2 4.46Å; L157-F254 HydrophobicContact CG-CG 4.21Å
158	R	97	Very high	96.8	Very high	115 Å²	115	71.8 Å²	71.8	43%	0.434	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59.4	-17.4	175.9	-162	177.1	-72.3	117.3	2.6	112.8	I148 E155 E156 Y160	I148-R158 HydrophobicContact CD1-CB 4.05Å; E155-R158 WeakPolarHBondContact O-CB 3.45Å; E155-R158 PolarHBondContact O-N 2.91Å; E155-R158 IonicContact OE2-CZ 3.83Å; E155-R158 IonicContact OE2-NH1 2.87Å; E155-R158 PolarHBondContact OE2-NH1 3.31Å; E155-R158 IonicContact OE2-NH2 2.87Å; E155-R158 PolarHBondContact OE2-NH2 3.34Å; E156-R158 PolarHBondContact O-N 2.95Å; E156-R158 VanDerWaalsContact O-N 3.14Å; R158-Y160 VanDerWaalsContact C-N 3.3Å
159	K	96.6	Very high	96.7	Very high	168 Å²	168	71.9 Å²	71.9	73%	0.73	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-74.1	-17.5	173.2	-62.1	174.8	-177.5	171.2	0	113.6	E156 L157	E156-K159 WeakPolarHBondContact O-CB 3.17Å; E156-K159 WeakPolarHBondContact O-CG 3.31Å; E156-K159 PolarHBondContact O-N 2.81Å; L157-K159 PolarHBondContact O-N 2.84Å
160	Y	97.6	Very high	96.5	Very high	35 Å²	35	67.7 Å²	67.7	14%	0.137	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-83.7	123.4	175	-75.6	-105	0	0	0	109.3	R144 L157 R158 L198 C250 D253 F254	R144-Y160 WeakPolarHBondContact CD-O 3.45Å; R144-Y160 PolarHBondContact NH1-O 3.18Å; L157-Y160 HydrophobicContact CD2-CD2 4.39Å; L157-Y160 WeakPolarHBondContact O-CB 3.44Å; L157-Y160 PolarHBondContact O-N 3.07Å; R158-Y160 VanDerWaalsContact C-N 3.3Å; Y160-L198 HydrophobicContact CD1-CD1 4.41Å; Y160-L198 HydrophobicContact CE1-CD1 4.01Å; Y160-C250 HydrophobicContact CD1-CB 3.53Å; Y160-C250 HydrophobicContact CE1-CB 4.22Å; Y160-C250 HydrophobicContact CG-CB 4.13Å; Y160-D253 HydrophobicContact CE1-CB 4.42Å; Y160-D253 VanDerWaalsContact CE1-OD2 3.29Å; Y160-D253 WeakPolarHBondContact CE1-OD2 3.5Å; Y160-D253 PolarHBondContact OH-OD2 2.9Å; Y160-F254 HydrophobicContact CE2-CB 4.04Å; Y160-F254 AromaticContact CE2-CD2 3.81Å; Y160-F254 HydrophobicContact CE2-CD2 3.81Å; Y160-F254 HydrophobicContact CE2-CG 4.4Å
161	E	97.1	Very high	96.6	Very high	149 Å²	149	63 Å²	63	70%	0.696	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-101.6	162.5	174.2	-63.3	-177.3	167.2	0	0	110.2	F140 I163	F140-E161 VanDerWaalsContact CE1-C 3.4Å; E161-I163 PolarHBondContact O-N 3.31Å
162	Y	97.9	Very high	96.6	Very high	23 Å²	23	60.7 Å²	60.7	9%	0.09	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-61.7	132.8	170	-179.8	-117.5	0	0	0	109.4	H136 F140 P164 P243 T246	H136-Y162 HydrophobicContact CB-CD1 4.3Å; H136-Y162 HydrophobicContact CB-CE1 3.57Å; H136-Y162 HydrophobicContact CB-CE2 4.38Å; F140-Y162 HydrophobicContact CB-CD2 3.87Å; F140-Y162 HydrophobicContact CB-CG 4.11Å; F140-Y162 AromaticContact CD2-CD2 3.77Å; F140-Y162 HydrophobicContact CD2-CD2 3.77Å; F140-Y162 HydrophobicContact CD2-CG 4.48Å; F140-Y162 VanDerWaalsContact CE1-N 3.34Å; F140-Y162 AromaticContact CG-CD2 3.92Å; F140-Y162 HydrophobicContact CG-CD2 3.92Å; F140-Y162 HydrophobicContact CG-CG 4.24Å; Y162-P164 HydrophobicContact CD1-CG 4.33Å; Y162-P164 HydrophobicContact CE1-CG 4.44Å; Y162-P164 VanDerWaalsContact O-CD 3.31Å; Y162-P164 WeakPolarHBondContact O-CD 3.28Å; Y162-P243 HydrophobicContact CE2-CG 4.49Å; Y162-T246 HydrophobicContact CD2-CG2 3.92Å; Y162-T246 HydrophobicContact CE2-CG2 4.15Å
163	I	97.4	Very high	96.6	Very high	64 Å²	64	50.2 Å²	50.2	33%	0.328	25%	0.245	S	C	.	.			trans	-102.9	101.5	179.2	-52.3	173.4	0	0	0	108	E161 F166 L198 T246	E161-I163 PolarHBondContact O-N 3.31Å; I163-F166 HydrophobicContact CB-CB 3.91Å; I163-F166 HydrophobicContact CG2-CB 3.83Å; I163-F166 WeakPolarHBondContact O-CB 3.4Å; I163-F166 PolarHBondContact O-N 3.23Å; I163-L198 HydrophobicContact CD1-CD1 3.92Å; I163-L198 HydrophobicContact CD1-CD2 3.79Å; I163-T246 HydrophobicContact CB-CG2 4.23Å; I163-T246 HydrophobicContact CG1-CG2 4.48Å
164	P	94.7	Very high	96.4	Very high	88 Å²	88	49.1 Å²	49.1	57%	0.571	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	143.7	178.2	-21.8	34.3	0	0	0	110.9	Y162 F166	Y162-P164 HydrophobicContact CD1-CG 4.33Å; Y162-P164 HydrophobicContact CE1-CG 4.44Å; Y162-P164 VanDerWaalsContact O-CD 3.31Å; Y162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-F166 PolarHBondContact O-N 3.29Å; P164-F166 VanDerWaalsContact O-N 3.08Å
165	D	92.6	Very high	96.3	Very high	96 Å²	96	47.4 Å²	47.4	51%	0.513	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	15.6	-179.4	-66.8	-28.6	0	0	0	114.6	K436 N494	D165-K436 IonicContact OD1-NZ 2.71Å; D165-K436 PolarHBondContact OD1-NZ 2.81Å; D165-K436 IonicContact OD2-NZ 2.64Å; D165-K436 PolarHBondContact OD2-NZ 3.44Å; D165-N494 PolarHBondContact O-ND2 2.86Å
166	F	96.8	Very high	96	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.035	22%	0.221	C	C	.	.	S	Bend	trans	-66.8	-52.1	171.5	168.1	-105	0	0	0	111.6	I163 P164 L180 Y195 L198 T246 S249 Q496 F497	I163-F166 HydrophobicContact CB-CB 3.91Å; I163-F166 HydrophobicContact CG2-CB 3.83Å; I163-F166 WeakPolarHBondContact O-CB 3.4Å; I163-F166 PolarHBondContact O-N 3.23Å; P164-F166 PolarHBondContact O-N 3.29Å; P164-F166 VanDerWaalsContact O-N 3.08Å; F166-L180 HydrophobicContact CE1-CD2 4.09Å; F166-Y195 HydrophobicContact CE2-CD1 4.19Å; F166-Y195 HydrophobicContact CE2-CE1 4.46Å; F166-Y195 HydrophobicContact CZ-CD1 4.42Å; F166-L198 HydrophobicContact CD1-CD2 4.46Å; F166-L198 HydrophobicContact CD2-CD2 4.14Å; F166-L198 HydrophobicContact CE1-CD2 4.13Å; F166-L198 HydrophobicContact CE2-CD2 3.77Å; F166-L198 HydrophobicContact CG-CD2 4.48Å; F166-L198 HydrophobicContact CZ-CD2 3.77Å; F166-T246 HydrophobicContact CD1-CG2 4.27Å; F166-S249 WeakPolarHBondContact CE1-OG 3.37Å; F166-Q496 HydrophobicContact CD2-CG 4.24Å; F166-Q496 HydrophobicContact CE2-CG 4.42Å; F166-F497 VanDerWaalsContact O-CD2 3.29Å; F166-F497 WeakPolarHBondContact O-CD2 3.37Å; F166-F497 VanDerWaalsContact O-CE2 3.22Å; F166-F497 WeakPolarHBondContact O-CE2 3.49Å
167	A	96.8	Very high	95.8	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	21%	0.211	C	C	.	.	S	Bend	trans	-103.7	151.5	179.5	0	0	0	0	0	111.1	L171 L180 M245	A167-L171 HydrophobicContact CB-CD1 4.18Å; A167-L180 HydrophobicContact CB-CD2 4.48Å; A167-M245 HydrophobicContact CB-CB 3.98Å; A167-M245 HydrophobicContact CB-CE 4Å; A167-M245 HydrophobicContact CB-SD 4.38Å
168	V	96.4	Very high	95.8	Very high	21 Å²	21	43.7 Å²	43.7	13%	0.127	21%	0.211	C	C	.	.			trans	-112.6	157.4	170.9	-59.2	0	0	0	0	110.1	L171 M245 N494 F497	V168-L171 HydrophobicContact CG2-CD1 4.05Å; V168-L171 HydrophobicContact CG2-CD2 3.83Å; V168-L171 HydrophobicContact CG2-CG 3.83Å; V168-L171 WeakPolarHBondContact O-CD1 3.27Å; V168-L171 VanDerWaalsContact O-CG 3.24Å; V168-L171 WeakPolarHBondContact O-CG 3.31Å; V168-M245 WeakPolarHBondContact O-CE 3.45Å; V168-N494 HydrophobicContact CG1-CB 3.69Å; V168-N494 VanDerWaalsContact CG1-CG 3.49Å; V168-F497 HydrophobicContact CG1-CB 4.42Å; V168-F497 HydrophobicContact CG2-CB 3.61Å; V168-F497 HydrophobicContact CG2-CG 4.31Å
169	R	95.7	Very high	95.8	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.019	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	148.7	176.3	-174.1	177.8	-177.5	-177.2	5	110.7	M237 D410 E433 L500 F510	R169-M237 PolarHBondContact NE-O 3.28Å; R169-M237 PolarHBondContact NH2-O 3.28Å; R169-D410 PolarHBondContact NH1-O 3.27Å; R169-D410 PolarHBondContact NH2-O 3.06Å; R169-D410 IonicContact NH2-OD2 2.84Å; R169-E433 WeakPolarHBondContact CB-OE1 3.48Å; R169-E433 WeakPolarHBondContact CD-OE1 3.47Å; R169-L500 HydrophobicContact CB-CD1 3.92Å; R169-L500 HydrophobicContact CG-CD1 4.45Å; R169-L500 WeakPolarHBondContact O-CD1 3.28Å; R169-F510 HydrophobicContact CG-CE2 4.15Å
170	G	94.6	Very high	95.9	Very high	8 Å²	8	30.3 Å²	30.3	8%	0.082	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	3.6	173.9	0	0	0	0	0	115.9	Q235 F236	G170-Q235 PolarHBondContact O-NE2 2.97Å; G170-F236 WeakPolarHBondContact CA-O 3.32Å; G170-F236 PolarHBondContact N-O 3.07Å
171	L	96.9	Very high	95.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.15	C	C	.	.			trans	-67	162.4	175.4	-64.3	175.6	0	0	0	112.6	A167 V168 L180 K182 Q235 F236 M245 F497	A167-L171 HydrophobicContact CB-CD1 4.18Å; V168-L171 HydrophobicContact CG2-CD1 4.05Å; V168-L171 HydrophobicContact CG2-CD2 3.83Å; V168-L171 HydrophobicContact CG2-CG 3.83Å; V168-L171 WeakPolarHBondContact O-CD1 3.27Å; V168-L171 VanDerWaalsContact O-CG 3.24Å; V168-L171 WeakPolarHBondContact O-CG 3.31Å; L171-L180 HydrophobicContact CB-CD1 3.88Å; L171-L180 HydrophobicContact CB-CG 4.49Å; L171-L180 HydrophobicContact CD1-CD1 4.19Å; L171-L180 HydrophobicContact CD1-CD2 4.02Å; L171-L180 HydrophobicContact CD1-CG 4.07Å; L171-K182 HydrophobicContact CD2-CB 3.76Å; L171-K182 HydrophobicContact CD2-CD 4.43Å; L171-K182 HydrophobicContact CD2-CG 4.03Å; L171-Q235 WeakPolarHBondContact O-CA 3.31Å; L171-Q235 WeakPolarHBondContact O-CG 3.24Å; L171-F236 PolarHBondContact O-N 3.32Å; L171-M245 HydrophobicContact CB-SD 3.8Å; L171-M245 HydrophobicContact CD1-SD 4.15Å; L171-M245 HydrophobicContact CG-SD 4.44Å; L171-F497 HydrophobicContact CD1-CD1 3.79Å; L171-F497 HydrophobicContact CD1-CD2 3.7Å; L171-F497 HydrophobicContact CD1-CE1 3.84Å; L171-F497 HydrophobicContact CD1-CE2 3.78Å; L171-F497 HydrophobicContact CD1-CG 3.73Å; L171-F497 HydrophobicContact CD1-CZ 3.85Å; L171-F497 HydrophobicContact CD2-CB 4Å; L171-F497 HydrophobicContact CD2-CD1 3.48Å; L171-F497 VanDerWaalsContact CD2-CD1 3.48Å; L171-F497 HydrophobicContact CD2-CE1 4.09Å; L171-F497 HydrophobicContact CD2-CG 3.77Å; L171-F497 HydrophobicContact CG-CD1 4.29Å; L171-F497 HydrophobicContact CG-CG 4.39Å
172	H	96.3	Very high	95.9	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.4	178.3	-64.3	70.7	0	0	0	110	L180 M181 I183 M233 K234 Q235 Y509	H172-L180 CarbonylContact O-C 3.57Å; H172-L180 WeakPolarHBondContact O-CA 3.22Å; H172-M181 HydrophobicContact CB-CG 4.23Å; H172-M181 PolarHBondContact N-O 3.23Å; H172-M181 PolarHBondContact O-N 3.03Å; H172-I183 HydrophobicContact CB-CD1 3.82Å; H172-I183 HydrophobicContact CB-CG1 4.21Å; H172-M233 HydrophobicContact CB-CG 3.95Å; H172-M233 HydrophobicContact CB-SD 4.05Å; H172-K234 CarbonylContact C-O 3.24Å; H172-K234 WeakPolarHBondContact CA-O 3.49Å; H172-Q235 VanDerWaalsContact CE1-CD 3.41Å; H172-Q235 PolarHBondContact CE1-NE2 3.24Å; H172-Q235 VanDerWaalsContact CE1-NE2 3.31Å; H172-Y509 AromaticContact NE2-CD2 3.86Å
173	Y	96.3	Very high	95.8	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.2	174	-171.8	-96.6	0	0	0	109.9	V175 A178 L179 L180 M233 K234 F236 L248 Y268	Y173-V175 HydrophobicContact CD1-CG2 3.96Å; Y173-V175 HydrophobicContact CE1-CG2 4.38Å; Y173-V175 PolarHBondContact O-N 3.15Å; Y173-A178 WeakPolarHBondContact OH-CA 3.45Å; Y173-L179 CarbonylContact C-O 3.59Å; Y173-L179 VanDerWaalsContact CA-O 3.27Å; Y173-L179 WeakPolarHBondContact CA-O 3.47Å; Y173-L180 HydrophobicContact CD2-CB 4.1Å; Y173-L180 HydrophobicContact CD2-CD1 4.22Å; Y173-M233 CarbonylContact O-C 3.56Å; Y173-M233 WeakPolarHBondContact O-CA 3.44Å; Y173-K234 PolarHBondContact N-O 3.06Å; Y173-K234 PolarHBondContact O-N 2.94Å; Y173-F236 HydrophobicContact CG-CE2 4.22Å; Y173-L248 HydrophobicContact CD1-CD1 4.28Å; Y173-L248 HydrophobicContact CD2-CD1 4.27Å; Y173-L248 HydrophobicContact CE1-CD1 4.24Å; Y173-L248 HydrophobicContact CE1-CD2 4.39Å; Y173-L248 HydrophobicContact CE2-CB 4.14Å; Y173-L248 HydrophobicContact CE2-CD1 4.23Å; Y173-L248 HydrophobicContact CG-CD1 4.29Å; Y173-Y268 HydrophobicContact CD1-CD2 4.03Å; Y173-Y268 HydrophobicContact CE1-CD2 4.05Å
174	D	95.4	Very high	95.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	103.6	169.8	-170.5	-32.9	0	0	0	108.3	Q176 K177 A178 L179 M181 Y210 M233	D174-Q176 PolarHBondContact O-N 3.22Å; D174-Q176 PolarHBondContact OD1-N 3.48Å; D174-K177 HydrophobicContact CB-CB 4.24Å; D174-K177 PolarHBondContact O-N 3.1Å; D174-K177 PolarHBondContact OD1-N 3.13Å; D174-K177 IonicContact OD2-NZ 3.27Å; D174-K177 PolarHBondContact OD2-NZ 2.85Å; D174-A178 WeakPolarHBondContact O-CA 3.39Å; D174-A178 PolarHBondContact O-N 2.92Å; D174-L179 HydrophobicContact CB-CB 4.36Å; D174-L179 PolarHBondContact N-O 3.05Å; D174-L179 PolarHBondContact O-N 3.14Å; D174-M181 HydrophobicContact CB-CE 4.13Å; D174-Y210 WeakPolarHBondContact CB-OH 3.08Å; D174-Y210 PolarHBondContact OD2-OH 3.11Å; D174-M233 HydrophobicContact CB-CE 4.07Å
175	V	94	Very high	95.8	Very high	7 Å²	7	14.3 Å²	14.3	4%	0.042	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.3	-175.2	173.8	0	0	0	0	111.9	Y173 T232 P264 V265 Y268	Y173-V175 HydrophobicContact CD1-CG2 3.96Å; Y173-V175 HydrophobicContact CE1-CG2 4.38Å; Y173-V175 PolarHBondContact O-N 3.15Å; V175-T232 VanDerWaalsContact CB-O 3.28Å; V175-T232 WeakPolarHBondContact CB-O 3.45Å; V175-T232 VanDerWaalsContact CG2-O 3.23Å; V175-T232 WeakPolarHBondContact CG2-O 3.39Å; V175-T232 PolarHBondContact N-O 2.9Å; V175-T232 VanDerWaalsContact N-O 3.12Å; V175-P264 CarbonylContact O-C 3.58Å; V175-P264 WeakPolarHBondContact O-CB 3.45Å; V175-V265 HydrophobicContact CG1-CB 4.39Å; V175-V265 HydrophobicContact CG1-CG2 4.16Å; V175-Y268 HydrophobicContact CB-CD1 4.47Å; V175-Y268 HydrophobicContact CB-CG 4.4Å; V175-Y268 HydrophobicContact CG1-CD1 3.8Å; V175-Y268 HydrophobicContact CG1-CG 3.84Å; V175-Y268 HydrophobicContact CG2-CD1 3.75Å; V175-Y268 HydrophobicContact CG2-CD2 3.88Å; V175-Y268 HydrophobicContact CG2-CE1 3.96Å; V175-Y268 HydrophobicContact CG2-CE2 4.1Å; V175-Y268 HydrophobicContact CG2-CG 3.7Å
176	Q	91.9	Very high	95.8	Very high	59 Å²	59	15.2 Å²	15.2	28%	0.276	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-31.9	-177.4	-66.5	-175.6	-29.2	0	0	112.5	D174 H231 P264	D174-Q176 PolarHBondContact O-N 3.22Å; D174-Q176 PolarHBondContact OD1-N 3.48Å; Q176-H231 VanDerWaalsContact CD-CG 3.49Å; Q176-H231 PolarHBondContact NE2-CD2 2.89Å; Q176-H231 PolarHBondContact NE2-NE2 3.15Å; Q176-H231 PolarHBondContact OE1-CE1 2.62Å; Q176-H231 PolarHBondContact OE1-ND1 3.04Å; Q176-H231 PolarHBondContact OE1-NE2 2.86Å; Q176-P264 WeakPolarHBondContact O-CG 3.34Å
177	K	94	Very high	95.7	Very high	54 Å²	54	16 Å²	16	24%	0.235	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.5	-179.2	-55.6	-165.7	-169.9	83.1	0	113.4	D174 L179 M209 Y210	D174-K177 HydrophobicContact CB-CB 4.24Å; D174-K177 PolarHBondContact O-N 3.1Å; D174-K177 PolarHBondContact OD1-N 3.13Å; D174-K177 IonicContact OD2-NZ 3.27Å; D174-K177 PolarHBondContact OD2-NZ 2.85Å; K177-L179 VanDerWaalsContact C-N 3.26Å; K177-L179 HydrophobicContact CB-CB 4.46Å; K177-L179 HydrophobicContact CB-CD1 3.8Å; K177-L179 HydrophobicContact CB-CG 3.77Å; K177-L179 HydrophobicContact CD-CD1 4.26Å; K177-L179 WeakPolarHBondContact O-CG 3.4Å; K177-L179 PolarHBondContact O-N 3.45Å; K177-M209 HydrophobicContact CD-CB 4.46Å; K177-M209 HydrophobicContact CD-SD 4.26Å; K177-Y210 HydrophobicContact CD-CE2 4.36Å
178	A	95.9	Very high	95.7	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	40	-172.2	0	0	0	0	0	113.1	Y173 D174 N252 P264	Y173-A178 WeakPolarHBondContact OH-CA 3.45Å; D174-A178 WeakPolarHBondContact O-CA 3.39Å; D174-A178 PolarHBondContact O-N 2.92Å; A178-N252 WeakPolarHBondContact CB-ND2 3.08Å; A178-N252 PolarHBondContact O-ND2 3.36Å; A178-P264 HydrophobicContact CB-CB 3.96Å; A178-P264 HydrophobicContact CB-CG 4.08Å
179	L	97.6	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.6	-175.3	-63	179	0	0	0	111.6	Y173 D174 K177 M181 V194 Y195 R196 M201 M209 Y210	Y173-L179 CarbonylContact C-O 3.59Å; Y173-L179 VanDerWaalsContact CA-O 3.27Å; Y173-L179 WeakPolarHBondContact CA-O 3.47Å; D174-L179 HydrophobicContact CB-CB 4.36Å; D174-L179 PolarHBondContact N-O 3.05Å; D174-L179 PolarHBondContact O-N 3.14Å; K177-L179 VanDerWaalsContact C-N 3.26Å; K177-L179 HydrophobicContact CB-CB 4.46Å; K177-L179 HydrophobicContact CB-CD1 3.8Å; K177-L179 HydrophobicContact CB-CG 3.77Å; K177-L179 HydrophobicContact CD-CD1 4.26Å; K177-L179 WeakPolarHBondContact O-CG 3.4Å; K177-L179 PolarHBondContact O-N 3.45Å; L179-M181 HydrophobicContact CB-CE 3.46Å; L179-M181 VanDerWaalsContact CB-CE 3.46Å; L179-M181 HydrophobicContact CD1-CE 4.18Å; L179-M181 HydrophobicContact CG-CE 4.47Å; L179-V194 HydrophobicContact CB-CG1 4.21Å; L179-V194 HydrophobicContact CD1-CG1 4.1Å; L179-V194 HydrophobicContact CD2-CG1 4.28Å; L179-V194 HydrophobicContact CG-CG1 4.42Å; L179-Y195 WeakPolarHBondContact CA-O 3.27Å; L179-R196 HydrophobicContact CD2-CB 3.69Å; L179-R196 HydrophobicContact CD2-CG 4.13Å; L179-M201 HydrophobicContact CD2-CG 3.95Å; L179-M201 HydrophobicContact CD2-SD 4.4Å; L179-M209 HydrophobicContact CD1-SD 4.15Å; L179-Y210 HydrophobicContact CD1-CE2 4.08Å
180	L	98.4	Very high	95.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.4	169.7	-173.8	65.9	0	0	0	109.3	F166 A167 L171 H172 Y173 V194 Y195 M245 F497	F166-L180 HydrophobicContact CE1-CD2 4.09Å; A167-L180 HydrophobicContact CB-CD2 4.48Å; L171-L180 HydrophobicContact CB-CD1 3.88Å; L171-L180 HydrophobicContact CB-CG 4.49Å; L171-L180 HydrophobicContact CD1-CD1 4.19Å; L171-L180 HydrophobicContact CD1-CD2 4.02Å; L171-L180 HydrophobicContact CD1-CG 4.07Å; H172-L180 CarbonylContact O-C 3.57Å; H172-L180 WeakPolarHBondContact O-CA 3.22Å; Y173-L180 HydrophobicContact CD2-CB 4.1Å; Y173-L180 HydrophobicContact CD2-CD1 4.22Å; L180-V194 WeakPolarHBondContact O-CA 3.38Å; L180-Y195 PolarHBondContact N-O 2.94Å; L180-Y195 PolarHBondContact O-N 3.26Å; L180-M245 HydrophobicContact CD1-CB 4.46Å; L180-M245 HydrophobicContact CD1-CG 4.09Å; L180-M245 HydrophobicContact CD1-SD 3.84Å; L180-M245 HydrophobicContact CD2-CB 4.23Å; L180-F497 HydrophobicContact CD2-CE1 4.49Å; L180-F497 HydrophobicContact CD2-CE2 4.23Å; L180-F497 HydrophobicContact CD2-CZ 3.72Å; L180-F497 HydrophobicContact CG-CE1 4.26Å; L180-F497 HydrophobicContact CG-CZ 3.95Å
181	M	97.7	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.6	-174.3	64.6	-167.8	75.2	0	0	114.1	H172 D174 L179 I183 I189 T193 V194 Y210 M233	H172-M181 HydrophobicContact CB-CG 4.23Å; H172-M181 PolarHBondContact N-O 3.23Å; H172-M181 PolarHBondContact O-N 3.03Å; D174-M181 HydrophobicContact CB-CE 4.13Å; L179-M181 HydrophobicContact CB-CE 3.46Å; L179-M181 VanDerWaalsContact CB-CE 3.46Å; L179-M181 HydrophobicContact CD1-CE 4.18Å; L179-M181 HydrophobicContact CG-CE 4.47Å; M181-I183 HydrophobicContact CG-CD1 4.33Å; M181-I183 HydrophobicContact CG-CG1 4.15Å; M181-I183 HydrophobicContact SD-CD1 4.33Å; M181-I189 HydrophobicContact SD-CD1 3.89Å; M181-I189 HydrophobicContact SD-CG1 3.94Å; M181-I189 HydrophobicContact SD-CG2 4.37Å; M181-T193 WeakPolarHBondContact CA-O 3.45Å; M181-V194 HydrophobicContact CB-CB 4.39Å; M181-V194 HydrophobicContact CB-CG1 4.33Å; M181-V194 HydrophobicContact CB-CG2 3.9Å; M181-V194 HydrophobicContact CE-CG1 4.22Å; M181-Y210 HydrophobicContact CE-CE2 4.1Å; M181-Y210 WeakPolarHBondContact CE-OH 3.49Å; M181-M233 HydrophobicContact SD-CE 4.33Å
182	K	97.5	Very high	95.6	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.03	12%	0.117	C	C	.	.			trans	-100.9	134.6	172.1	-163.9	170.2	175.2	-161.1	0	111.3	L171 Q190 T193 F497 S499 R502 T503	L171-K182 HydrophobicContact CD2-CB 3.76Å; L171-K182 HydrophobicContact CD2-CD 4.43Å; L171-K182 HydrophobicContact CD2-CG 4.03Å; K182-Q190 HydrophobicContact CB-CB 4.39Å; K182-Q190 PolarHBondContact O-N 3.26Å; K182-T193 VanDerWaalsContact CB-OG1 3.28Å; K182-T193 WeakPolarHBondContact CB-OG1 3.45Å; K182-T193 PolarHBondContact N-OG1 3.2Å; K182-F497 HydrophobicContact CB-CD1 4.45Å; K182-F497 HydrophobicContact CD-CB 4.37Å; K182-F497 WeakPolarHBondContact CD-O 3.49Å; K182-F497 WeakPolarHBondContact CE-O 3.16Å; K182-F497 PolarHBondContact NZ-O 3.08Å; K182-S499 WeakPolarHBondContact CE-O 3.18Å; K182-S499 PolarHBondContact NZ-O 2.93Å; K182-R502 PolarHBondContact NZ-O 3.36Å; K182-T503 HydrophobicContact CD-CG2 4.34Å; K182-T503 HydrophobicContact CG-CG2 4.19Å
183	I	96.1	Very high	95.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-125.5	137.8	-178.7	-57.8	-174.8	0	0	0	109.4	H172 M181 Y188 I189 V215 M220 M233 Y509	H172-I183 HydrophobicContact CB-CD1 3.82Å; H172-I183 HydrophobicContact CB-CG1 4.21Å; M181-I183 HydrophobicContact CG-CD1 4.33Å; M181-I183 HydrophobicContact CG-CG1 4.15Å; M181-I183 HydrophobicContact SD-CD1 4.33Å; I183-Y188 WeakPolarHBondContact CA-O 3.45Å; I183-I189 HydrophobicContact CG1-CG1 4.48Å; I183-V215 HydrophobicContact CD1-CB 4.48Å; I183-V215 HydrophobicContact CD1-CG2 4.09Å; I183-M220 HydrophobicContact CD1-CE 4.13Å; I183-M220 HydrophobicContact CG2-CE 4.02Å; I183-M233 HydrophobicContact CD1-SD 3.43Å; I183-M233 WeakPolarHBondContact CD1-SD 3.36Å; I183-Y509 HydrophobicContact CG2-CD2 4.37Å; I183-Y509 PolarHBondContact O-N 3.49Å; I183-Y509 VanDerWaalsContact O-N 3.09Å
184	D	95.9	Very high	95.8	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.043	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-81.1	177.1	178.6	82.7	3.8	0	0	0	113.5	F186 H187 Y188 T503 N506	D184-F186 PolarHBondContact O-N 3.02Å; D184-F186 VanDerWaalsContact OD1-C 3.25Å; D184-F186 VanDerWaalsContact OD1-CA 3.3Å; D184-F186 WeakPolarHBondContact OD1-CA 3.31Å; D184-F186 PolarHBondContact OD1-N 2.89Å; D184-H187 PolarHBondContact O-N 3.24Å; D184-H187 PolarHBondContact OD1-N 2.89Å; D184-Y188 PolarHBondContact N-O 2.96Å; D184-Y188 PolarHBondContact OD1-N 3.35Å; D184-T503 HydrophobicContact CB-CG2 3.78Å; D184-T503 WeakPolarHBondContact CB-OG1 3.23Å; D184-N506 HydrophobicContact CB-CB 4.07Å; D184-N506 PolarHBondContact OD2-ND2 2.86Å
185	A	94.7	Very high	95.9	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.041	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.2	179.2	0	0	0	0	0	114.2	P507 R512	A185-P507 HydrophobicContact CB-CB 4.28Å; A185-P507 HydrophobicContact CB-CG 3.75Å; A185-P507 WeakPolarHBondContact CB-O 3.33Å; A185-P507 PolarHBondContact N-O 3.47Å; A185-R512 HydrophobicContact CB-CB 3.82Å; A185-R512 HydrophobicContact CB-CG 4.33Å; A185-R512 WeakPolarHBondContact O-CD 3.49Å; A185-R512 PolarHBondContact O-NH1 2.89Å
186	F	93.9	Very high	96.1	Very high	115 Å²	115	27.8 Å²	27.8	50%	0.504	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	13	-178	-56.6	-76	0	0	0	112.3	D184 Y188 N506	D184-F186 PolarHBondContact O-N 3.02Å; D184-F186 VanDerWaalsContact OD1-C 3.25Å; D184-F186 VanDerWaalsContact OD1-CA 3.3Å; D184-F186 WeakPolarHBondContact OD1-CA 3.31Å; D184-F186 PolarHBondContact OD1-N 2.89Å; F186-Y188 VanDerWaalsContact C-N 3.32Å; F186-Y188 HydrophobicContact CB-CD2 3.74Å; F186-Y188 HydrophobicContact CB-CE2 3.95Å; F186-Y188 WeakPolarHBondContact O-CD2 3.16Å; F186-N506 HydrophobicContact CD2-CB 4.19Å; F186-N506 HydrophobicContact CE2-CB 4.18Å
187	H	94.4	Very high	96.3	Very high	25 Å²	25	25 Å²	25	12%	0.116	12%	0.119	C	C	.	.	S	Bend	trans	71.2	21	178	-52.4	159.3	0	0	0	114.8	D184 V215 M220 Y509 R512	D184-H187 PolarHBondContact O-N 3.24Å; D184-H187 PolarHBondContact OD1-N 2.89Å; H187-V215 WeakPolarHBondContact CB-O 3.4Å; H187-V215 PolarHBondContact O-N 3.45Å; H187-M220 HydrophobicContact CB-CE 3.59Å; H187-M220 VanDerWaalsContact CD2-SD 3.59Å; H187-Y509 AromaticContact CD2-CD2 3.69Å; H187-Y509 AromaticContact CD2-CE2 3.26Å; H187-Y509 WeakPolarHBondContact CD2-CE2 3.47Å; H187-Y509 AromaticContact NE2-CE2 3.18Å; H187-Y509 WeakPolarHBondContact NE2-CE2 3.28Å; H187-Y509 AromaticContact NE2-CZ 3.7Å; H187-R512 PolarHBondContact NE2-NH2 3.37Å
188	Y	95.9	Very high	96.5	Very high	105 Å²	105	24.1 Å²	24.1	41%	0.412	12%	0.116	S	C	.	.	B	Isolated β-bridge	trans	-92.8	135.5	171.7	-65.4	-88.3	0	0	0	111.6	I183 D184 F186 S213 H214	I183-Y188 WeakPolarHBondContact CA-O 3.45Å; D184-Y188 PolarHBondContact N-O 2.96Å; D184-Y188 PolarHBondContact OD1-N 3.35Å; F186-Y188 VanDerWaalsContact C-N 3.32Å; F186-Y188 HydrophobicContact CB-CD2 3.74Å; F186-Y188 HydrophobicContact CB-CE2 3.95Å; F186-Y188 WeakPolarHBondContact O-CD2 3.16Å; Y188-S213 CarbonylContact C-O 3.54Å; Y188-S213 WeakPolarHBondContact CA-O 3.35Å; Y188-S213 WeakPolarHBondContact CD1-OG 3.29Å; Y188-H214 HydrophobicContact CD1-CB 3.9Å; Y188-H214 HydrophobicContact CE1-CB 3.65Å; Y188-H214 AromaticContact CZ-CD2 3.87Å
189	I	97.1	Very high	96.5	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.041	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-66.8	129.5	170.4	-59	169	0	0	0	108.1	M181 I183 L191 V194 V206 Y210 S213 V215	M181-I189 HydrophobicContact SD-CD1 3.89Å; M181-I189 HydrophobicContact SD-CG1 3.94Å; M181-I189 HydrophobicContact SD-CG2 4.37Å; I183-I189 HydrophobicContact CG1-CG1 4.48Å; I189-L191 PolarHBondContact O-N 3.44Å; I189-L191 VanDerWaalsContact O-N 3.17Å; I189-V194 HydrophobicContact CG2-CG2 3.48Å; I189-V194 VanDerWaalsContact CG2-CG2 3.48Å; I189-V206 HydrophobicContact CD1-CG1 4.17Å; I189-V206 HydrophobicContact CG2-CG1 4.36Å; I189-Y210 HydrophobicContact CD1-CD1 4.14Å; I189-Y210 HydrophobicContact CD1-CD2 3.59Å; I189-Y210 HydrophobicContact CD1-CE1 4.4Å; I189-Y210 HydrophobicContact CD1-CE2 3.88Å; I189-Y210 HydrophobicContact CD1-CG 3.74Å; I189-S213 WeakPolarHBondContact CG1-O 3.3Å; I189-S213 PolarHBondContact N-O 3.02Å; I189-V215 HydrophobicContact CD1-CG2 3.77Å; I189-V215 HydrophobicContact CG1-CG2 3.67Å
190	Q	96.1	Very high	96.5	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.042	16%	0.159	C	C	.	.			trans	-75.8	103.1	167	-174.4	-179.8	-14.6	0	0	108.4	K182 T193 T503 Y504	K182-Q190 HydrophobicContact CB-CB 4.39Å; K182-Q190 PolarHBondContact O-N 3.26Å; Q190-T193 HydrophobicContact CB-CG2 4.17Å; Q190-T193 HydrophobicContact CG-CG2 3.82Å; Q190-T193 WeakPolarHBondContact O-CB 3.45Å; Q190-T193 PolarHBondContact O-N 3.16Å; Q190-T193 PolarHBondContact O-OG1 3.07Å; Q190-T503 HydrophobicContact CB-CG2 4.11Å; Q190-T503 VanDerWaalsContact OE1-CA 3.28Å; Q190-T503 VanDerWaalsContact OE1-CB 3.3Å; Q190-T503 VanDerWaalsContact OE1-CG2 3.25Å; Q190-Y504 HydrophobicContact CG-CD2 4.17Å; Q190-Y504 HydrophobicContact CG-CE2 3.75Å; Q190-Y504 VanDerWaalsContact NE2-CZ 3.33Å
191	L	94.8	Very high	96.5	Very high	52 Å²	52	32.8 Å²	32.8	27%	0.272	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	147.9	173.2	-67.1	-177.6	0	0	0	111.7	I189 T193 D203 V206 I207	I189-L191 PolarHBondContact O-N 3.44Å; I189-L191 VanDerWaalsContact O-N 3.17Å; L191-T193 PolarHBondContact O-N 3.24Å; L191-D203 HydrophobicContact CB-CB 4.47Å; L191-D203 WeakPolarHBondContact CB-OD1 3.43Å; L191-D203 HydrophobicContact CD1-CB 4.34Å; L191-D203 HydrophobicContact CD2-CB 4.23Å; L191-V206 HydrophobicContact CD2-CB 4.36Å; L191-V206 HydrophobicContact CD2-CG1 4.06Å; L191-I207 HydrophobicContact CD1-CD1 3.96Å; L191-I207 HydrophobicContact CD1-CG1 4.33Å; L191-I207 HydrophobicContact CD2-CG1 4.22Å
192	G	94.4	Very high	96.4	Very high	32 Å²	32	35.7 Å²	35.7	33%	0.33	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.4	-169.7	0	0	0	0	0	115.1	D203	G192-D203 PolarHBondContact N-OD1 3.26Å
193	T	96.8	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.			trans	-120	16	177.8	76.1	0	0	0	0	113.5	M181 K182 Q190 L191 K490 F497	M181-T193 WeakPolarHBondContact CA-O 3.45Å; K182-T193 VanDerWaalsContact CB-OG1 3.28Å; K182-T193 WeakPolarHBondContact CB-OG1 3.45Å; K182-T193 PolarHBondContact N-OG1 3.2Å; Q190-T193 HydrophobicContact CB-CG2 4.17Å; Q190-T193 HydrophobicContact CG-CG2 3.82Å; Q190-T193 WeakPolarHBondContact O-CB 3.45Å; Q190-T193 PolarHBondContact O-N 3.16Å; Q190-T193 PolarHBondContact O-OG1 3.07Å; L191-T193 PolarHBondContact O-N 3.24Å; T193-K490 HydrophobicContact CG2-CD 3.87Å; T193-F497 WeakPolarHBondContact O-CD1 3.4Å; T193-F497 WeakPolarHBondContact O-CE1 3.33Å
194	V	98.3	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.			trans	-97.9	126.3	178.8	-173.4	0	0	0	0	109.4	L179 L180 M181 I189 P200 M201 V206	L179-V194 HydrophobicContact CB-CG1 4.21Å; L179-V194 HydrophobicContact CD1-CG1 4.1Å; L179-V194 HydrophobicContact CD2-CG1 4.28Å; L179-V194 HydrophobicContact CG-CG1 4.42Å; L180-V194 WeakPolarHBondContact O-CA 3.38Å; M181-V194 HydrophobicContact CB-CB 4.39Å; M181-V194 HydrophobicContact CB-CG1 4.33Å; M181-V194 HydrophobicContact CB-CG2 3.9Å; M181-V194 HydrophobicContact CE-CG1 4.22Å; I189-V194 HydrophobicContact CG2-CG2 3.48Å; I189-V194 VanDerWaalsContact CG2-CG2 3.48Å; V194-P200 CarbonylContact O-C 3.58Å; V194-P200 WeakPolarHBondContact O-CA 3.47Å; V194-M201 HydrophobicContact CB-CB 4.31Å; V194-M201 HydrophobicContact CG1-CB 4.23Å; V194-M201 HydrophobicContact CG1-CG 4.2Å; V194-M201 PolarHBondContact O-N 2.99Å; V194-V206 HydrophobicContact CB-CG2 3.74Å; V194-V206 HydrophobicContact CG1-CG2 3.85Å; V194-V206 HydrophobicContact CG2-CG1 3.9Å; V194-V206 HydrophobicContact CG2-CG2 3.84Å
195	Y	98.5	Very high	96.6	Very high	24 Å²	24	48.6 Å²	48.6	9%	0.094	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.5	-176.7	-76.7	-107.1	0	0	0	110.7	F166 L179 L180 H199 P200 Q496 F497	F166-Y195 HydrophobicContact CE2-CD1 4.19Å; F166-Y195 HydrophobicContact CE2-CE1 4.46Å; F166-Y195 HydrophobicContact CZ-CD1 4.42Å; L179-Y195 WeakPolarHBondContact CA-O 3.27Å; L180-Y195 PolarHBondContact N-O 2.94Å; L180-Y195 PolarHBondContact O-N 3.26Å; Y195-H199 CarbonylContact C-O 3.57Å; Y195-H199 VanDerWaalsContact CA-O 3.3Å; Y195-H199 WeakPolarHBondContact CA-O 3.39Å; Y195-P200 HydrophobicContact CD1-CB 4.49Å; Y195-P200 HydrophobicContact CE1-CB 4.06Å; Y195-P200 HydrophobicContact CE1-CG 4.48Å; Y195-P200 HydrophobicContact CE2-CB 4.41Å; Y195-Q496 HydrophobicContact CE1-CG 4.12Å; Y195-Q496 HydrophobicContact CE2-CB 4Å; Y195-Q496 HydrophobicContact CE2-CG 4.48Å; Y195-F497 AromaticContact CD2-CE1 3.74Å; Y195-F497 HydrophobicContact CD2-CE1 3.74Å; Y195-F497 HydrophobicContact CD2-CE2 4.45Å; Y195-F497 AromaticContact CD2-CZ 3.61Å; Y195-F497 HydrophobicContact CD2-CZ 3.61Å; Y195-F497 HydrophobicContact CE2-CE1 4.24Å; Y195-F497 HydrophobicContact CE2-CZ 4.15Å; Y195-F497 HydrophobicContact CG-CZ 4.1Å
196	R	97.7	Very high	96.7	Very high	75 Å²	75	48.4 Å²	48.4	28%	0.283	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.5	163.8	-169.6	-178.1	-81.6	159.3	-1.2	107.7	L179 L198 H199 M201 M256	L179-R196 HydrophobicContact CD2-CB 3.69Å; L179-R196 HydrophobicContact CD2-CG 4.13Å; R196-L198 PolarHBondContact O-N 3.16Å; R196-H199 PolarHBondContact N-O 3.35Å; R196-H199 PolarHBondContact O-N 3.01Å; R196-H199 VanDerWaalsContact O-N 3.11Å; R196-M201 HydrophobicContact CB-CG 4.05Å; R196-M201 HydrophobicContact CB-SD 3.59Å; R196-M201 VanDerWaalsContact CB-SD 3.59Å; R196-M256 HydrophobicContact CB-SD 4.35Å; R196-M256 HydrophobicContact CG-CE 4.29Å; R196-M256 HydrophobicContact CG-SD 3.6Å
197	G	96.9	Very high	96.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-123.7	-166.3	0	0	0	0	0	111	S249 N252	G197-S249 CarbonylContact C-O 3.34Å; G197-S249 WeakPolarHBondContact CA-O 3.15Å; G197-S249 WeakPolarHBondContact O-CB 3.44Å; G197-S249 PolarHBondContact O-OG 2.87Å; G197-N252 PolarHBondContact N-ND2 3.33Å; G197-N252 VanDerWaalsContact N-ND2 3.17Å
198	L	97.3	Very high	97	Very high	34 Å²	34	48.9 Å²	48.9	18%	0.178	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	6.8	177.4	-63.4	174.6	0	0	0	113.1	Y160 I163 F166 R196 D253	Y160-L198 HydrophobicContact CD1-CD1 4.41Å; Y160-L198 HydrophobicContact CE1-CD1 4.01Å; I163-L198 HydrophobicContact CD1-CD1 3.92Å; I163-L198 HydrophobicContact CD1-CD2 3.79Å; F166-L198 HydrophobicContact CD1-CD2 4.46Å; F166-L198 HydrophobicContact CD2-CD2 4.14Å; F166-L198 HydrophobicContact CE1-CD2 4.13Å; F166-L198 HydrophobicContact CE2-CD2 3.77Å; F166-L198 HydrophobicContact CG-CD2 4.48Å; F166-L198 HydrophobicContact CZ-CD2 3.77Å; R196-L198 PolarHBondContact O-N 3.16Å; L198-D253 HydrophobicContact CB-CB 4.17Å; L198-D253 HydrophobicContact CD1-CB 4.11Å; L198-D253 HydrophobicContact CG-CB 3.9Å
199	H	97	Very high	96.9	Very high	87 Å²	87	46.6 Å²	46.6	40%	0.403	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.2	-174.7	-66.3	-76.2	0	0	0	111.6	Y195 R196 D253 R257	Y195-H199 CarbonylContact C-O 3.57Å; Y195-H199 VanDerWaalsContact CA-O 3.3Å; Y195-H199 WeakPolarHBondContact CA-O 3.39Å; R196-H199 PolarHBondContact N-O 3.35Å; R196-H199 PolarHBondContact O-N 3.01Å; R196-H199 VanDerWaalsContact O-N 3.11Å; H199-D253 IonicContact CD2-OD1 2.71Å; H199-D253 PolarHBondContact CD2-OD1 2.88Å; H199-D253 IonicContact NE2-OD1 3.21Å; H199-D253 PolarHBondContact NE2-OD1 3.06Å; H199-R257 PolarHBondContact NE2-NH2 3.39Å
200	P	97	Very high	96.7	Very high	79 Å²	79	47.2 Å²	47.2	51%	0.513	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144	174.5	29.7	-34	0	0	0	110.5	V194 Y195	V194-P200 CarbonylContact O-C 3.58Å; V194-P200 WeakPolarHBondContact O-CA 3.47Å; Y195-P200 HydrophobicContact CD1-CB 4.49Å; Y195-P200 HydrophobicContact CE1-CB 4.06Å; Y195-P200 HydrophobicContact CE1-CG 4.48Å; Y195-P200 HydrophobicContact CE2-CB 4.41Å
201	M	97.4	Very high	96.6	Very high	19 Å²	19	56 Å²	56	9%	0.094	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-89.5	140.8	174.1	-68.9	-66.1	-53.6	0	0	110.4	L179 V194 R196 E205 V206 M209	L179-M201 HydrophobicContact CD2-CG 3.95Å; L179-M201 HydrophobicContact CD2-SD 4.4Å; V194-M201 HydrophobicContact CB-CB 4.31Å; V194-M201 HydrophobicContact CG1-CB 4.23Å; V194-M201 HydrophobicContact CG1-CG 4.2Å; V194-M201 PolarHBondContact O-N 2.99Å; R196-M201 HydrophobicContact CB-CG 4.05Å; R196-M201 HydrophobicContact CB-SD 3.59Å; R196-M201 VanDerWaalsContact CB-SD 3.59Å; M201-E205 HydrophobicContact CE-CB 4.15Å; M201-E205 WeakPolarHBondContact CE-OE2 3.4Å; M201-V206 HydrophobicContact CB-CG2 3.82Å; M201-M209 HydrophobicContact CE-CE 3.48Å; M201-M209 VanDerWaalsContact CE-CE 3.48Å
202	P	97.6	Very high	96.6	Very high	61 Å²	61	54.7 Å²	54.7	40%	0.396	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-59.7	140.3	170	-22.9	34.6	0	0	0	111.6	E204 E205 V206	P202-E204 VanDerWaalsContact C-N 3.27Å; P202-E204 PolarHBondContact O-N 3.35Å; P202-E205 HydrophobicContact CB-CG 4.25Å; P202-E205 HydrophobicContact CG-CG 4.38Å; P202-E205 PolarHBondContact O-N 3.22Å; P202-E205 VanDerWaalsContact O-N 3.15Å; P202-V206 WeakPolarHBondContact O-CG2 3.25Å; P202-V206 PolarHBondContact O-N 3.01Å; P202-V206 VanDerWaalsContact O-N 3.15Å
203	D	96.8	Very high	96.5	Very high	54 Å²	54	54.9 Å²	54.9	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-34.3	-175.5	-75.3	-22.3	0	0	0	112	L191 G192 E205 V206 I207	L191-D203 HydrophobicContact CB-CB 4.47Å; L191-D203 WeakPolarHBondContact CB-OD1 3.43Å; L191-D203 HydrophobicContact CD1-CB 4.34Å; L191-D203 HydrophobicContact CD2-CB 4.23Å; G192-D203 PolarHBondContact N-OD1 3.26Å; D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 3.32Å; D203-V206 PolarHBondContact O-N 3.44Å; D203-I207 WeakPolarHBondContact O-CB 3.26Å; D203-I207 WeakPolarHBondContact O-CD1 3.44Å; D203-I207 WeakPolarHBondContact O-CG1 3.45Å; D203-I207 PolarHBondContact O-N 2.99Å
204	E	97.6	Very high	96.4	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	31%	0.31	S	S	*	.	H	α-helix	trans	-63	-39.1	177.1	-60	75.9	-165.4	0	0	111.6	P202 A208	P202-E204 VanDerWaalsContact C-N 3.27Å; P202-E204 PolarHBondContact O-N 3.35Å; E204-A208 WeakPolarHBondContact O-CB 3.46Å; E204-A208 PolarHBondContact O-N 3.39Å
205	E	97.5	Very high	96.1	Very high	93 Å²	93	58.7 Å²	58.7	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-69.3	-40.1	176.6	-69.3	-173.1	-147.4	0	0	111.5	M201 P202 D203 A208 M209	M201-E205 HydrophobicContact CE-CB 4.15Å; M201-E205 WeakPolarHBondContact CE-OE2 3.4Å; P202-E205 HydrophobicContact CB-CG 4.25Å; P202-E205 HydrophobicContact CG-CG 4.38Å; P202-E205 PolarHBondContact O-N 3.22Å; P202-E205 VanDerWaalsContact O-N 3.15Å; D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 3.32Å; E205-A208 PolarHBondContact O-N 2.96Å; E205-M209 HydrophobicContact CB-CE 3.99Å; E205-M209 WeakPolarHBondContact O-CB 3.18Å; E205-M209 VanDerWaalsContact O-CG 3.32Å; E205-M209 WeakPolarHBondContact O-CG 3.43Å; E205-M209 PolarHBondContact O-N 2.95Å
206	V	97.3	Very high	95.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-48.6	174.9	176	0	0	0	0	110.1	I189 L191 V194 M201 P202 D203 A208 M209 Y210	I189-V206 HydrophobicContact CD1-CG1 4.17Å; I189-V206 HydrophobicContact CG2-CG1 4.36Å; L191-V206 HydrophobicContact CD2-CB 4.36Å; L191-V206 HydrophobicContact CD2-CG1 4.06Å; V194-V206 HydrophobicContact CB-CG2 3.74Å; V194-V206 HydrophobicContact CG1-CG2 3.85Å; V194-V206 HydrophobicContact CG2-CG1 3.9Å; V194-V206 HydrophobicContact CG2-CG2 3.84Å; M201-V206 HydrophobicContact CB-CG2 3.82Å; P202-V206 WeakPolarHBondContact O-CG2 3.25Å; P202-V206 PolarHBondContact O-N 3.01Å; P202-V206 VanDerWaalsContact O-N 3.15Å; D203-V206 PolarHBondContact O-N 3.44Å; V206-A208 VanDerWaalsContact C-N 3.29Å; V206-A208 PolarHBondContact O-N 3.3Å; V206-M209 PolarHBondContact O-N 3.37Å; V206-M209 VanDerWaalsContact O-N 3.13Å; V206-Y210 HydrophobicContact CG1-CD2 4.03Å; V206-Y210 HydrophobicContact CG1-CE2 4.45Å; V206-Y210 WeakPolarHBondContact O-CD2 3.49Å; V206-Y210 PolarHBondContact O-N 3.5Å
207	I	97.2	Very high	94.9	Very high	73 Å²	73	61.9 Å²	61.9	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-42.7	179	-70.2	164.6	0	0	0	110.6	L191 D203 Y210 E211 G212	L191-I207 HydrophobicContact CD1-CD1 3.96Å; L191-I207 HydrophobicContact CD1-CG1 4.33Å; L191-I207 HydrophobicContact CD2-CG1 4.22Å; D203-I207 WeakPolarHBondContact O-CB 3.26Å; D203-I207 WeakPolarHBondContact O-CD1 3.44Å; D203-I207 WeakPolarHBondContact O-CG1 3.45Å; D203-I207 PolarHBondContact O-N 2.99Å; I207-Y210 PolarHBondContact O-N 3.42Å; I207-E211 WeakPolarHBondContact O-CA 3.4Å; I207-E211 PolarHBondContact O-N 3.16Å; I207-G212 PolarHBondContact O-N 3.38Å
208	A	97.1	Very high	94.2	Very high	77 Å²	77	68.4 Å²	68.4	64%	0.636	37%	0.367	S	S	*	.	H	α-helix	trans	-64.1	-40.8	176	0	0	0	0	0	112.3	E204 E205 V206 Y210	E204-A208 WeakPolarHBondContact O-CB 3.46Å; E204-A208 PolarHBondContact O-N 3.39Å; E205-A208 PolarHBondContact O-N 2.96Å; V206-A208 VanDerWaalsContact C-N 3.29Å; V206-A208 PolarHBondContact O-N 3.3Å; A208-Y210 VanDerWaalsContact C-N 3.34Å; A208-Y210 PolarHBondContact O-N 2.95Å
209	M	94.6	Very high	93.5	Very high	57 Å²	57	68.6 Å²	68.6	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-69.2	-26.8	-179.8	-78.6	-172.6	-123	0	0	114.6	K177 L179 M201 E205 V206	K177-M209 HydrophobicContact CD-CB 4.46Å; K177-M209 HydrophobicContact CD-SD 4.26Å; L179-M209 HydrophobicContact CD1-SD 4.15Å; M201-M209 HydrophobicContact CE-CE 3.48Å; M201-M209 VanDerWaalsContact CE-CE 3.48Å; E205-M209 HydrophobicContact CB-CE 3.99Å; E205-M209 WeakPolarHBondContact O-CB 3.18Å; E205-M209 VanDerWaalsContact O-CG 3.32Å; E205-M209 WeakPolarHBondContact O-CG 3.43Å; E205-M209 PolarHBondContact O-N 2.95Å; V206-M209 PolarHBondContact O-N 3.37Å; V206-M209 VanDerWaalsContact O-N 3.13Å
210	Y	93.4	Very high	92.7	Very high	22 Å²	22	64.9 Å²	64.9	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-113.1	7.2	-177.1	-71.6	-81.7	0	0	0	113.6	D174 K177 L179 M181 I189 V206 I207 A208 G212 V215 M233	D174-Y210 WeakPolarHBondContact CB-OH 3.08Å; D174-Y210 PolarHBondContact OD2-OH 3.11Å; K177-Y210 HydrophobicContact CD-CE2 4.36Å; L179-Y210 HydrophobicContact CD1-CE2 4.08Å; M181-Y210 HydrophobicContact CE-CE2 4.1Å; M181-Y210 WeakPolarHBondContact CE-OH 3.49Å; I189-Y210 HydrophobicContact CD1-CD1 4.14Å; I189-Y210 HydrophobicContact CD1-CD2 3.59Å; I189-Y210 HydrophobicContact CD1-CE1 4.4Å; I189-Y210 HydrophobicContact CD1-CE2 3.88Å; I189-Y210 HydrophobicContact CD1-CG 3.74Å; V206-Y210 HydrophobicContact CG1-CD2 4.03Å; V206-Y210 HydrophobicContact CG1-CE2 4.45Å; V206-Y210 WeakPolarHBondContact O-CD2 3.49Å; V206-Y210 PolarHBondContact O-N 3.5Å; I207-Y210 PolarHBondContact O-N 3.42Å; A208-Y210 VanDerWaalsContact C-N 3.34Å; A208-Y210 PolarHBondContact O-N 2.95Å; Y210-G212 WeakPolarHBondContact CB-O 3.22Å; Y210-G212 PolarHBondContact O-N 3.4Å; Y210-V215 HydrophobicContact CD1-CG2 4.25Å; Y210-V215 HydrophobicContact CE1-CG2 4.39Å; Y210-M233 HydrophobicContact CE1-CE 3.99Å
211	E	93.7	Very high	91.6	Very high	194 Å²	194	61.5 Å²	61.5	91%	0.907	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	40.4	-175.9	-58.2	-179.8	177	0	0	112.2	I207	I207-E211 WeakPolarHBondContact O-CA 3.4Å; I207-E211 PolarHBondContact O-N 3.16Å
212	G	94.2	Very high	90.1	Very high	24 Å²	24	63.8 Å²	63.8	25%	0.247	34%	0.342	C	S	.	.	S	Bend	trans	127.3	-158.8	-168.4	0	0	0	0	0	111.6	I207 Y210	I207-G212 PolarHBondContact O-N 3.38Å; Y210-G212 WeakPolarHBondContact CB-O 3.22Å; Y210-G212 PolarHBondContact O-N 3.4Å
213	S	93.3	Very high	88.3	Confident	36 Å²	36	65.2 Å²	65.2	25%	0.252	34%	0.342	S	S	.	.	S	Bend	trans	-112.3	-3.5	177.3	56.4	0	0	0	0	113.4	Y188 I189	Y188-S213 CarbonylContact C-O 3.54Å; Y188-S213 WeakPolarHBondContact CA-O 3.35Å; Y188-S213 WeakPolarHBondContact CD1-OG 3.29Å; I189-S213 WeakPolarHBondContact CG1-O 3.3Å; I189-S213 PolarHBondContact N-O 3.02Å
214	H	94.8	Very high	86.5	Confident	80 Å²	80	67.1 Å²	67.1	37%	0.37	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-85.9	129.6	-179.6	179	-87.3	0	0	0	111.1	Y188	Y188-H214 HydrophobicContact CD1-CB 3.9Å; Y188-H214 HydrophobicContact CE1-CB 3.65Å; Y188-H214 AromaticContact CZ-CD2 3.87Å
215	V	91.9	Very high	84.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-101	118.8	176	177.7	0	0	0	0	110	I183 H187 I189 Y210 M220 M233	I183-V215 HydrophobicContact CD1-CB 4.48Å; I183-V215 HydrophobicContact CD1-CG2 4.09Å; H187-V215 WeakPolarHBondContact CB-O 3.4Å; H187-V215 PolarHBondContact O-N 3.45Å; I189-V215 HydrophobicContact CD1-CG2 3.77Å; I189-V215 HydrophobicContact CG1-CG2 3.67Å; Y210-V215 HydrophobicContact CD1-CG2 4.25Å; Y210-V215 HydrophobicContact CE1-CG2 4.39Å; V215-M220 HydrophobicContact CB-CE 3.54Å; V215-M220 HydrophobicContact CG1-CE 3.56Å; V215-M220 HydrophobicContact CG1-CG 3.95Å; V215-M233 HydrophobicContact CG1-CE 3.72Å; V215-M233 HydrophobicContact CG1-SD 3.79Å; V215-M233 HydrophobicContact CG2-CE 4.14Å; V215-M233 HydrophobicContact CG2-SD 4.47Å
216	P	88.1	Confident	82.9	Confident	55 Å²	55	63.8 Å²	63.8	36%	0.357	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-60.2	143	175.4	-24.3	33.6	0	0	0	113.4	E218 I219	P216-E218 PolarHBondContact O-N 2.7Å; P216-E218 VanDerWaalsContact O-N 3.17Å; P216-I219 HydrophobicContact CG-CD1 4.27Å; P216-I219 PolarHBondContact O-N 3.15Å; P216-I219 VanDerWaalsContact O-N 3.14Å
217	L	83.3	Confident	81.2	Confident	111 Å²	111	65.3 Å²	65.3	58%	0.581	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.2	178.8	-177.7	63.7	0	0	0	113	I219 M220	L217-I219 PolarHBondContact O-N 2.6Å; L217-M220 HydrophobicContact CD1-CB 4.47Å; L217-M220 PolarHBondContact O-N 3.06Å; L217-M220 VanDerWaalsContact O-N 3.12Å
218	E	80.8	Confident	79.2	Confident	137 Å²	137	67.4 Å²	67.4	64%	0.64	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.3	-179.7	-66.5	168	-168.8	0	0	113.6	P216	P216-E218 PolarHBondContact O-N 2.7Å; P216-E218 VanDerWaalsContact O-N 3.17Å
219	I	82.3	Confident	77.4	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.2	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-24.5	177.9	-56.3	179.4	0	0	0	110.5	P216 L217 H231 M233	P216-I219 HydrophobicContact CG-CD1 4.27Å; P216-I219 PolarHBondContact O-N 3.15Å; P216-I219 VanDerWaalsContact O-N 3.14Å; L217-I219 PolarHBondContact O-N 2.6Å; I219-H231 HydrophobicContact CG2-CB 4.31Å; I219-M233 HydrophobicContact CG2-CB 4.23Å; I219-M233 HydrophobicContact CG2-CE 4.47Å; I219-M233 WeakPolarHBondContact O-CB 3.17Å; I219-M233 PolarHBondContact O-N 3.1Å
220	M	81.9	Confident	75.7	Confident	9 Å²	9	69.7 Å²	69.7	4%	0.044	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-75.1	137.5	178.5	-63.3	-170.1	176	0	0	111.4	I183 H187 V215 L217 D222 Y509	I183-M220 HydrophobicContact CD1-CE 4.13Å; I183-M220 HydrophobicContact CG2-CE 4.02Å; H187-M220 HydrophobicContact CB-CE 3.59Å; H187-M220 VanDerWaalsContact CD2-SD 3.59Å; V215-M220 HydrophobicContact CB-CE 3.54Å; V215-M220 HydrophobicContact CG1-CE 3.56Å; V215-M220 HydrophobicContact CG1-CG 3.95Å; L217-M220 HydrophobicContact CD1-CB 4.47Å; L217-M220 PolarHBondContact O-N 3.06Å; L217-M220 VanDerWaalsContact O-N 3.12Å; M220-D222 PolarHBondContact O-N 2.9Å; M220-Y509 HydrophobicContact CE-CE2 4.33Å; M220-Y509 HydrophobicContact SD-CD2 4.38Å; M220-Y509 HydrophobicContact SD-CE2 3.56Å; M220-Y509 VanDerWaalsContact SD-CE2 3.56Å
221	S	72.8	Confident	74.5	Confident	8 Å²	8	72.9 Å²	72.9	6%	0.056	39%	0.39	C	S	.	.			trans	-62.8	139.2	172.1	71.1	0	0	0	0	110.9	M233	S221-M233 VanDerWaalsContact CB-O 3.27Å; S221-M233 WeakPolarHBondContact CB-O 3.29Å; S221-M233 PolarHBondContact N-O 3.27Å; S221-M233 PolarHBondContact OG-O 3.2Å
222	D	66.9	Low	74	Confident	66 Å²	66	65.4 Å²	65.4	35%	0.353	36%	0.358	S	S	.	.			trans	-62.7	-178.8	173.2	77.3	4.8	0	0	0	112.2	M220 Y224 G225 K226	M220-D222 PolarHBondContact O-N 2.9Å; D222-Y224 PolarHBondContact O-N 3.28Å; D222-Y224 WeakPolarHBondContact OD1-CA 3.25Å; D222-Y224 PolarHBondContact OD1-N 3.49Å; D222-G225 PolarHBondContact O-N 2.55Å; D222-G225 PolarHBondContact OD1-N 2.89Å; D222-K226 PolarHBondContact N-O 3.14Å; D222-K226 PolarHBondContact OD1-N 2.79Å
223	F	58.6	Low	73.8	Confident	91 Å²	91	64.2 Å²	64.2	40%	0.399	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.3	-179.8	-66.3	-56.8	0	0	0	114.4	Y413 F517	F223-Y413 HydrophobicContact CB-CD1 4.22Å; F223-Y413 HydrophobicContact CB-CE1 4.23Å; F223-Y413 HydrophobicContact CD1-CD1 4.06Å; F223-Y413 AromaticContact CD1-CE1 3.25Å; F223-Y413 HydrophobicContact CD1-CE1 3.25Å; F223-Y413 AromaticContact CD1-CZ 3.85Å; F223-Y413 AromaticContact CE1-CE1 3.91Å; F223-Y413 HydrophobicContact CE1-CE1 3.91Å; F223-Y413 HydrophobicContact CG-CE1 4.12Å; F223-F517 HydrophobicContact CE1-CE2 4.3Å; F223-F517 AromaticContact CE1-CZ 3.95Å; F223-F517 HydrophobicContact CE1-CZ 3.95Å; F223-F517 HydrophobicContact CZ-CZ 4.35Å
224	Y	59.2	Low	73.7	Confident	95 Å²	95	65 Å²	65	37%	0.373	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	10.4	-177.3	-56.1	-69.3	0	0	0	112.5	D222 P353 N357 D418	D222-Y224 PolarHBondContact O-N 3.28Å; D222-Y224 WeakPolarHBondContact OD1-CA 3.25Å; D222-Y224 PolarHBondContact OD1-N 3.49Å; Y224-P353 HydrophobicContact CD1-CB 4.39Å; Y224-P353 HydrophobicContact CD1-CG 3.84Å; Y224-P353 HydrophobicContact CE1-CB 4.05Å; Y224-P353 HydrophobicContact CE1-CG 4.01Å; Y224-N357 WeakPolarHBondContact CE1-ND2 3.2Å; Y224-N357 PolarHBondContact OH-ND2 3.44Å; Y224-D418 PolarHBondContact OH-OD1 3.44Å; Y224-D418 VanDerWaalsContact OH-OD1 3.06Å; Y224-D418 PolarHBondContact OH-OD2 2.59Å
225	G	59.3	Low	73.6	Confident	22 Å²	22	61.3 Å²	61.3	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	78.2	17.2	178.9	0	0	0	0	0	114.2	D222	D222-G225 PolarHBondContact O-N 2.55Å; D222-G225 PolarHBondContact OD1-N 2.89Å
226	K	61.5	Low	73.6	Confident	144 Å²	144	61.5 Å²	61.5	63%	0.626	33%	0.328	S	S	*	.			trans	-92.6	137.2	175.7	-58.5	178.9	-179.6	176.4	0	109.9	D222	D222-K226 PolarHBondContact N-O 3.14Å; D222-K226 PolarHBondContact OD1-N 2.79Å
227	S	61.2	Low	73.7	Confident	32 Å²	32	59.3 Å²	59.3	22%	0.224	31%	0.313	C	S	.	.			trans	-105.8	139.7	166.3	170.4	0	0	0	0	108.7	H229 H231 T232	S227-H229 PolarHBondContact OG-N 3.39Å; S227-H231 WeakPolarHBondContact CB-O 3.12Å; S227-H231 PolarHBondContact OG-O 2.98Å; S227-T232 WeakPolarHBondContact CB-OG1 3.46Å
228	T	54.9	Low	74.1	Confident	117 Å²	117	56.2 Å²	56.2	72%	0.718	30%	0.298	S	S	*	.	S	Bend	trans	-87.3	-12.2	178.2	42.1	0	0	0	0	113.1
229	H	59	Low	74.7	Confident	118 Å²	118	50 Å²	50	55%	0.546	27%	0.269	S	S	.	.	S	Bend	trans	-129.2	20.3	-166.8	-60.2	104.8	0	0	0	115.2	S227 H231	S227-H229 PolarHBondContact OG-N 3.39Å; H229-H231 PolarHBondContact O-N 3.15Å
230	G	59.5	Low	75.1	Confident	64 Å²	64	49.4 Å²	49.4	66%	0.66	26%	0.264	S	S	*	.	S	Bend	trans	74.1	-21.2	175.7	0	0	0	0	0	115.4
231	H	67.6	Low	75.7	Confident	88 Å²	88	49.2 Å²	49.2	41%	0.407	26%	0.264	S	S	.	.			trans	-86.9	115.2	168.6	-70.5	-138.3	0	0	0	108.3	Q176 I219 S227 H229	Q176-H231 VanDerWaalsContact CD-CG 3.49Å; Q176-H231 PolarHBondContact NE2-CD2 2.89Å; Q176-H231 PolarHBondContact NE2-NE2 3.15Å; Q176-H231 PolarHBondContact OE1-CE1 2.62Å; Q176-H231 PolarHBondContact OE1-ND1 3.04Å; Q176-H231 PolarHBondContact OE1-NE2 2.86Å; I219-H231 HydrophobicContact CG2-CB 4.31Å; S227-H231 WeakPolarHBondContact CB-O 3.12Å; S227-H231 PolarHBondContact OG-O 2.98Å; H229-H231 PolarHBondContact O-N 3.15Å
232	T	82.3	Confident	76.8	Confident	37 Å²	37	49.7 Å²	49.7	23%	0.227	27%	0.266	C	S	.	.			trans	-118.4	108.7	-174.8	-54.7	0	0	0	0	110.6	V175 S227	V175-T232 VanDerWaalsContact CB-O 3.28Å; V175-T232 WeakPolarHBondContact CB-O 3.45Å; V175-T232 VanDerWaalsContact CG2-O 3.23Å; V175-T232 WeakPolarHBondContact CG2-O 3.39Å; V175-T232 PolarHBondContact N-O 2.9Å; V175-T232 VanDerWaalsContact N-O 3.12Å; S227-T232 WeakPolarHBondContact CB-OG1 3.46Å
233	M	89.9	Confident	78.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.3	162.5	-174.3	174.8	-65.8	0	0	109.4	H172 Y173 D174 M181 I183 Y210 V215 I219 S221	H172-M233 HydrophobicContact CB-CG 3.95Å; H172-M233 HydrophobicContact CB-SD 4.05Å; Y173-M233 CarbonylContact O-C 3.56Å; Y173-M233 WeakPolarHBondContact O-CA 3.44Å; D174-M233 HydrophobicContact CB-CE 4.07Å; M181-M233 HydrophobicContact SD-CE 4.33Å; I183-M233 HydrophobicContact CD1-SD 3.43Å; I183-M233 WeakPolarHBondContact CD1-SD 3.36Å; Y210-M233 HydrophobicContact CE1-CE 3.99Å; V215-M233 HydrophobicContact CG1-CE 3.72Å; V215-M233 HydrophobicContact CG1-SD 3.79Å; V215-M233 HydrophobicContact CG2-CE 4.14Å; V215-M233 HydrophobicContact CG2-SD 4.47Å; I219-M233 HydrophobicContact CG2-CB 4.23Å; I219-M233 HydrophobicContact CG2-CE 4.47Å; I219-M233 WeakPolarHBondContact O-CB 3.17Å; I219-M233 PolarHBondContact O-N 3.1Å; S221-M233 VanDerWaalsContact CB-O 3.27Å; S221-M233 WeakPolarHBondContact CB-O 3.29Å; S221-M233 PolarHBondContact N-O 3.27Å; S221-M233 PolarHBondContact OG-O 3.2Å
234	K	91.3	Very high	80.1	Confident	51 Å²	51	43.2 Å²	43.2	22%	0.222	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.2	-176.6	174.3	61.2	178.4	168.4	0	109.9	H172 Y173 F236	H172-K234 CarbonylContact C-O 3.24Å; H172-K234 WeakPolarHBondContact CA-O 3.49Å; Y173-K234 PolarHBondContact N-O 3.06Å; Y173-K234 PolarHBondContact O-N 2.94Å; K234-F236 HydrophobicContact CG-CD1 4.49Å; K234-F236 HydrophobicContact CG-CE1 4.2Å; K234-F236 HydrophobicContact CG-CE2 4.39Å; K234-F236 HydrophobicContact CG-CZ 4.18Å
235	Q	92.8	Very high	82	Confident	3 Å²	3	38.7 Å²	38.7	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.8	165.4	-163.8	178.6	15.8	0	0	111.8	G170 L171 H172 M237 R513	G170-Q235 PolarHBondContact O-NE2 2.97Å; L171-Q235 WeakPolarHBondContact O-CA 3.31Å; L171-Q235 WeakPolarHBondContact O-CG 3.24Å; H172-Q235 VanDerWaalsContact CE1-CD 3.41Å; H172-Q235 PolarHBondContact CE1-NE2 3.24Å; H172-Q235 VanDerWaalsContact CE1-NE2 3.31Å; Q235-M237 HydrophobicContact CB-CG 4.48Å; Q235-M237 HydrophobicContact CG-CG 4.03Å; Q235-M237 HydrophobicContact CG-SD 3.91Å; Q235-M237 PolarHBondContact NE2-SD 3.19Å; Q235-R513 VanDerWaalsContact OE1-NH2 3.09Å
236	F	93.4	Very high	83.8	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.022	21%	0.206	C	C	.	.			trans	-97.8	86.9	179.3	-77.1	-63.5	0	0	0	110.9	G170 L171 Y173 K234 S241 E244 M245 L248 Y268	G170-F236 WeakPolarHBondContact CA-O 3.32Å; G170-F236 PolarHBondContact N-O 3.07Å; L171-F236 PolarHBondContact O-N 3.32Å; Y173-F236 HydrophobicContact CG-CE2 4.22Å; K234-F236 HydrophobicContact CG-CD1 4.49Å; K234-F236 HydrophobicContact CG-CE1 4.2Å; K234-F236 HydrophobicContact CG-CE2 4.39Å; K234-F236 HydrophobicContact CG-CZ 4.18Å; F236-S241 WeakPolarHBondContact CB-OG 3.35Å; F236-S241 VanDerWaalsContact CD1-CB 3.46Å; F236-E244 HydrophobicContact CE1-CG 4Å; F236-E244 WeakPolarHBondContact CE1-OE1 3.45Å; F236-E244 WeakPolarHBondContact CE1-OE2 3.47Å; F236-E244 HydrophobicContact CZ-CG 4.18Å; F236-M245 HydrophobicContact CB-CE 3.91Å; F236-M245 HydrophobicContact CB-CG 4.01Å; F236-M245 HydrophobicContact CB-SD 3.44Å; F236-M245 WeakPolarHBondContact CB-SD 3.4Å; F236-M245 HydrophobicContact CD1-CG 4.25Å; F236-M245 HydrophobicContact CD2-CG 3.32Å; F236-M245 HydrophobicContact CD2-SD 3.57Å; F236-M245 VanDerWaalsContact CD2-SD 3.57Å; F236-M245 HydrophobicContact CE2-CG 3.69Å; F236-M245 HydrophobicContact CE2-SD 4.48Å; F236-M245 HydrophobicContact CG-CE 4.5Å; F236-M245 HydrophobicContact CG-CG 3.6Å; F236-M245 HydrophobicContact CG-SD 3.7Å; F236-M245 HydrophobicContact CZ-CG 4.3Å; F236-L248 HydrophobicContact CE2-CD1 4.09Å; F236-L248 HydrophobicContact CZ-CD1 3.82Å; F236-Y268 HydrophobicContact CZ-CE2 4.13Å
237	M	90.4	Very high	85.6	Confident	8 Å²	8	30.9 Å²	30.9	4%	0.039	18%	0.177	C	C	.	.			trans	-92.1	-6.8	-174	-68.5	-67.2	-58.2	0	0	114	R169 Q235 I412 Y413 F510	R169-M237 PolarHBondContact NE-O 3.28Å; R169-M237 PolarHBondContact NH2-O 3.28Å; Q235-M237 HydrophobicContact CB-CG 4.48Å; Q235-M237 HydrophobicContact CG-CG 4.03Å; Q235-M237 HydrophobicContact CG-SD 3.91Å; Q235-M237 PolarHBondContact NE2-SD 3.19Å; M237-I412 HydrophobicContact CE-CB 4.18Å; M237-I412 HydrophobicContact CE-CD1 3.82Å; M237-I412 HydrophobicContact CE-CG1 4.44Å; M237-Y413 HydrophobicContact CB-CD2 4.35Å; M237-Y413 HydrophobicContact CE-CD2 4.27Å; M237-Y413 HydrophobicContact CE-CE2 3.86Å; M237-Y413 HydrophobicContact CG-CD2 3.94Å; M237-Y413 HydrophobicContact CG-CE2 3.89Å; M237-Y413 HydrophobicContact SD-CE2 4.22Å; M237-F510 HydrophobicContact CE-CD2 3.35Å; M237-F510 HydrophobicContact CE-CE2 3.67Å; M237-F510 HydrophobicContact CE-CG 4.33Å; M237-F510 HydrophobicContact SD-CD2 3.85Å
238	D	90.8	Very high	87.4	Confident	47 Å²	47	29.3 Å²	29.3	25%	0.251	17%	0.166	S	C	.	.	S	Bend	trans	-100.5	141.1	-173.9	-166.5	-24	0	0	0	110	F240 S241 H411	D238-F240 PolarHBondContact O-N 2.88Å; D238-F240 VanDerWaalsContact OD1-CD2 3.25Å; D238-F240 WeakPolarHBondContact OD1-CD2 3.26Å; D238-F240 PolarHBondContact OD1-N 2.75Å; D238-S241 WeakPolarHBondContact O-CB 3.22Å; D238-S241 PolarHBondContact O-N 2.71Å; D238-S241 PolarHBondContact O-OG 3.47Å; D238-H411 IonicContact OD2-CD2 2.85Å
239	I	92.3	Very high	89.4	Confident	7 Å²	7	23.9 Å²	23.9	4%	0.036	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-62.7	-31.9	172.1	-62.1	173	0	0	0	110.4	Y126 S241 L242 P432	Y126-I239 HydrophobicContact CD1-CD1 3.9Å; Y126-I239 HydrophobicContact CD1-CG2 4.27Å; Y126-I239 HydrophobicContact CD2-CB 4.06Å; Y126-I239 HydrophobicContact CD2-CD1 4.43Å; Y126-I239 HydrophobicContact CD2-CG2 4.28Å; Y126-I239 HydrophobicContact CE1-CB 4.46Å; Y126-I239 HydrophobicContact CE1-CD1 4.38Å; Y126-I239 HydrophobicContact CE1-CG2 3.73Å; Y126-I239 HydrophobicContact CE2-CB 3.9Å; Y126-I239 HydrophobicContact CE2-CG2 3.72Å; Y126-I239 HydrophobicContact CG-CB 4.41Å; Y126-I239 HydrophobicContact CG-CD1 3.94Å; Y126-I239 VanDerWaalsContact CZ-CG2 3.43Å; I239-S241 PolarHBondContact O-N 3.12Å; I239-S241 VanDerWaalsContact O-N 3.09Å; I239-L242 HydrophobicContact CG2-CD1 4.19Å; I239-L242 WeakPolarHBondContact O-CG 3.29Å; I239-L242 PolarHBondContact O-N 3.48Å; I239-P432 HydrophobicContact CD1-CG 3.81Å
240	F	92	Very high	91.3	Very high	25 Å²	25	18.3 Å²	18.3	11%	0.11	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-64.3	-10.8	173.7	-68.5	-71.3	0	0	0	113.9	D125 Y126 Y131 L135 I139 D238 P243 H279 M284	D125-F240 HydrophobicContact CB-CE2 3.97Å; D125-F240 HydrophobicContact CB-CZ 4.04Å; Y126-F240 HydrophobicContact CD2-CD2 4.06Å; Y126-F240 HydrophobicContact CD2-CE1 4.31Å; Y126-F240 AromaticContact CD2-CE2 3.51Å; Y126-F240 HydrophobicContact CD2-CE2 3.51Å; Y126-F240 AromaticContact CD2-CZ 3.66Å; Y126-F240 HydrophobicContact CD2-CZ 3.66Å; Y126-F240 AromaticContact CE2-CD1 3.95Å; Y126-F240 HydrophobicContact CE2-CD1 3.95Å; Y126-F240 AromaticContact CE2-CD2 3.97Å; Y126-F240 HydrophobicContact CE2-CD2 3.97Å; Y126-F240 AromaticContact CE2-CE1 3.62Å; Y126-F240 HydrophobicContact CE2-CE1 3.62Å; Y126-F240 AromaticContact CE2-CE2 3.62Å; Y126-F240 HydrophobicContact CE2-CE2 3.62Å; Y126-F240 HydrophobicContact CE2-CG 4.12Å; Y126-F240 AromaticContact CE2-CZ 3.43Å; Y126-F240 HydrophobicContact CE2-CZ 3.43Å; Y126-F240 VanDerWaalsContact CE2-CZ 3.43Å; Y131-F240 HydrophobicContact CD2-CZ 4.36Å; Y131-F240 HydrophobicContact CE2-CZ 4.06Å; L135-F240 HydrophobicContact CD2-CE1 3.86Å; I139-F240 HydrophobicContact CD1-CD1 3.81Å; I139-F240 HydrophobicContact CD1-CE1 4.35Å; D238-F240 PolarHBondContact O-N 2.88Å; D238-F240 VanDerWaalsContact OD1-CD2 3.25Å; D238-F240 WeakPolarHBondContact OD1-CD2 3.26Å; D238-F240 PolarHBondContact OD1-N 2.75Å; F240-P243 WeakPolarHBondContact O-CD 3.48Å; F240-H279 AromaticContact CD1-NE2 3.74Å; F240-M284 HydrophobicContact CE1-CE 4.34Å
241	S	93.8	Very high	93.2	Very high	5 Å²	5	15.3 Å²	15.3	4%	0.035	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-90.1	-5.3	178.3	69.1	0	0	0	0	114.9	F236 D238 I239 E244 M245	F236-S241 WeakPolarHBondContact CB-OG 3.35Å; F236-S241 VanDerWaalsContact CD1-CB 3.46Å; D238-S241 WeakPolarHBondContact O-CB 3.22Å; D238-S241 PolarHBondContact O-N 2.71Å; D238-S241 PolarHBondContact O-OG 3.47Å; I239-S241 PolarHBondContact O-N 3.12Å; I239-S241 VanDerWaalsContact O-N 3.09Å; S241-E244 WeakPolarHBondContact O-CB 3.04Å; S241-E244 PolarHBondContact O-N 3.11Å; S241-M245 WeakPolarHBondContact O-CG 3.36Å; S241-M245 PolarHBondContact O-N 2.99Å
242	L	96.5	Very high	94.6	Very high	19 Å²	19	11.1 Å²	11.1	10%	0.099	6%	0.057	C	C	.	.	H	α-helix	trans	-60.5	-45.3	174.9	-59.1	170.8	0	0	0	112.4	I239 E244 M245 T246	I239-L242 HydrophobicContact CG2-CD1 4.19Å; I239-L242 WeakPolarHBondContact O-CG 3.29Å; I239-L242 PolarHBondContact O-N 3.48Å; L242-E244 PolarHBondContact O-N 2.9Å; L242-M245 HydrophobicContact CD2-CE 3.7Å; L242-T246 WeakPolarHBondContact O-CB 3.37Å; L242-T246 PolarHBondContact O-N 2.83Å; L242-T246 VanDerWaalsContact O-N 3.1Å; L242-T246 PolarHBondContact O-OG1 2.87Å
243	P	97.4	Very high	95.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.6	-40.1	170.9	-25.8	37.1	0	0	0	113.4	H136 I139 F140 Y162 F240 T246 L247	H136-P243 HydrophobicContact CB-CG 3.84Å; H136-P243 WeakPolarHBondContact O-CG 3.41Å; I139-P243 HydrophobicContact CB-CB 4.15Å; I139-P243 HydrophobicContact CB-CG 4.03Å; I139-P243 HydrophobicContact CG2-CB 3.78Å; I139-P243 HydrophobicContact CG2-CG 4Å; F140-P243 HydrophobicContact CB-CB 4.11Å; Y162-P243 HydrophobicContact CE2-CG 4.49Å; F240-P243 WeakPolarHBondContact O-CD 3.48Å; P243-T246 PolarHBondContact O-N 3.4Å; P243-L247 VanDerWaalsContact O-CB 3.29Å; P243-L247 WeakPolarHBondContact O-CB 3.23Å; P243-L247 PolarHBondContact O-N 2.92Å
244	E	97.9	Very high	95.7	Very high	20 Å²	20	9.7 Å²	9.7	9%	0.093	5%	0.047	C	C	.	.	H	α-helix	trans	-62.8	-48.6	179.9	-177.8	177.9	173.7	0	0	111.4	F236 S241 L242 T246 L247 L248 V271 I275	F236-E244 HydrophobicContact CE1-CG 4Å; F236-E244 WeakPolarHBondContact CE1-OE1 3.45Å; F236-E244 WeakPolarHBondContact CE1-OE2 3.47Å; F236-E244 HydrophobicContact CZ-CG 4.18Å; S241-E244 WeakPolarHBondContact O-CB 3.04Å; S241-E244 PolarHBondContact O-N 3.11Å; L242-E244 PolarHBondContact O-N 2.9Å; E244-T246 VanDerWaalsContact C-N 3.32Å; E244-T246 PolarHBondContact O-N 2.92Å; E244-L247 PolarHBondContact O-N 2.78Å; E244-L248 HydrophobicContact CG-CD1 4.32Å; E244-L248 WeakPolarHBondContact O-CG 3.28Å; E244-L248 PolarHBondContact O-N 3.04Å; E244-V271 HydrophobicContact CG-CG1 4.19Å; E244-I275 HydrophobicContact CB-CD1 4.11Å; E244-I275 HydrophobicContact CB-CG1 3.9Å; E244-I275 HydrophobicContact CG-CG1 4.01Å
245	M	98.1	Very high	96	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.2	-43.2	176.4	-72.9	-174.4	-71.9	0	0	111.9	A167 V168 L171 L180 F236 S241 L242 L248 S249	A167-M245 HydrophobicContact CB-CB 3.98Å; A167-M245 HydrophobicContact CB-CE 4Å; A167-M245 HydrophobicContact CB-SD 4.38Å; V168-M245 WeakPolarHBondContact O-CE 3.45Å; L171-M245 HydrophobicContact CB-SD 3.8Å; L171-M245 HydrophobicContact CD1-SD 4.15Å; L171-M245 HydrophobicContact CG-SD 4.44Å; L180-M245 HydrophobicContact CD1-CB 4.46Å; L180-M245 HydrophobicContact CD1-CG 4.09Å; L180-M245 HydrophobicContact CD1-SD 3.84Å; L180-M245 HydrophobicContact CD2-CB 4.23Å; F236-M245 HydrophobicContact CB-CE 3.91Å; F236-M245 HydrophobicContact CB-CG 4.01Å; F236-M245 HydrophobicContact CB-SD 3.44Å; F236-M245 WeakPolarHBondContact CB-SD 3.4Å; F236-M245 HydrophobicContact CD1-CG 4.25Å; F236-M245 HydrophobicContact CD2-CG 3.32Å; F236-M245 HydrophobicContact CD2-SD 3.57Å; F236-M245 VanDerWaalsContact CD2-SD 3.57Å; F236-M245 HydrophobicContact CE2-CG 3.69Å; F236-M245 HydrophobicContact CE2-SD 4.48Å; F236-M245 HydrophobicContact CG-CE 4.5Å; F236-M245 HydrophobicContact CG-CG 3.6Å; F236-M245 HydrophobicContact CG-SD 3.7Å; F236-M245 HydrophobicContact CZ-CG 4.3Å; S241-M245 WeakPolarHBondContact O-CG 3.36Å; S241-M245 PolarHBondContact O-N 2.99Å; L242-M245 HydrophobicContact CD2-CE 3.7Å; M245-L248 PolarHBondContact O-N 3.46Å; M245-S249 PolarHBondContact O-N 2.76Å; M245-S249 PolarHBondContact O-OG 2.81Å
246	T	98.3	Very high	96.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.4	-41.5	178.8	-53	0	0	0	0	110.8	F140 Y162 I163 F166 L242 P243 E244 S249 C250	F140-T246 HydrophobicContact CD2-CG2 4.3Å; F140-T246 HydrophobicContact CE2-CG2 3.93Å; Y162-T246 HydrophobicContact CD2-CG2 3.92Å; Y162-T246 HydrophobicContact CE2-CG2 4.15Å; I163-T246 HydrophobicContact CB-CG2 4.23Å; I163-T246 HydrophobicContact CG1-CG2 4.48Å; F166-T246 HydrophobicContact CD1-CG2 4.27Å; L242-T246 WeakPolarHBondContact O-CB 3.37Å; L242-T246 PolarHBondContact O-N 2.83Å; L242-T246 VanDerWaalsContact O-N 3.1Å; L242-T246 PolarHBondContact O-OG1 2.87Å; P243-T246 PolarHBondContact O-N 3.4Å; E244-T246 VanDerWaalsContact C-N 3.32Å; E244-T246 PolarHBondContact O-N 2.92Å; T246-S249 PolarHBondContact O-N 3.07Å; T246-C250 WeakPolarHBondContact O-CB 3.46Å; T246-C250 PolarHBondContact O-N 2.87Å; T246-C250 PolarHBondContact O-SG 3.01Å
247	L	98.5	Very high	96.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-67.2	-42.5	178.5	-174.3	57.6	0	0	0	112.1	F140 A143 R144 L147 P243 E244 S249 C250 V251 V271	F140-L247 HydrophobicContact CD2-CB 3.93Å; F140-L247 HydrophobicContact CD2-CD1 4.4Å; F140-L247 HydrophobicContact CE2-CB 3.8Å; F140-L247 HydrophobicContact CE2-CD1 3.87Å; F140-L247 HydrophobicContact CE2-CG 4.44Å; F140-L247 HydrophobicContact CZ-CD1 3.99Å; A143-L247 HydrophobicContact CB-CD2 3.57Å; R144-L247 HydrophobicContact CB-CD1 4.03Å; R144-L247 HydrophobicContact CG-CD1 4.48Å; L147-L247 HydrophobicContact CD1-CD1 4.22Å; L147-L247 HydrophobicContact CD1-CD2 3.81Å; L147-L247 HydrophobicContact CD1-CG 4.06Å; P243-L247 VanDerWaalsContact O-CB 3.29Å; P243-L247 WeakPolarHBondContact O-CB 3.23Å; P243-L247 PolarHBondContact O-N 2.92Å; E244-L247 PolarHBondContact O-N 2.78Å; L247-S249 VanDerWaalsContact C-N 3.26Å; L247-S249 PolarHBondContact O-N 2.64Å; L247-C250 PolarHBondContact O-N 2.98Å; L247-V251 HydrophobicContact CD1-CG2 3.9Å; L247-V251 HydrophobicContact CG-CG2 4.35Å; L247-V251 VanDerWaalsContact O-CG2 3.3Å; L247-V251 WeakPolarHBondContact O-CG2 3.41Å; L247-V251 PolarHBondContact O-N 3.08Å; L247-V271 HydrophobicContact CB-CG1 4.27Å; L247-V271 HydrophobicContact CD2-CG1 4.05Å; L247-V271 HydrophobicContact CG-CG1 4.12Å
248	L	98.4	Very high	96.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-54.5	-45.8	171.4	-75.7	168	0	0	0	111.1	Y173 F236 E244 M245 N252 L267 Y268 V271	Y173-L248 HydrophobicContact CD1-CD1 4.28Å; Y173-L248 HydrophobicContact CD2-CD1 4.27Å; Y173-L248 HydrophobicContact CE1-CD1 4.24Å; Y173-L248 HydrophobicContact CE1-CD2 4.39Å; Y173-L248 HydrophobicContact CE2-CB 4.14Å; Y173-L248 HydrophobicContact CE2-CD1 4.23Å; Y173-L248 HydrophobicContact CG-CD1 4.29Å; F236-L248 HydrophobicContact CE2-CD1 4.09Å; F236-L248 HydrophobicContact CZ-CD1 3.82Å; E244-L248 HydrophobicContact CG-CD1 4.32Å; E244-L248 WeakPolarHBondContact O-CG 3.28Å; E244-L248 PolarHBondContact O-N 3.04Å; M245-L248 PolarHBondContact O-N 3.46Å; L248-N252 WeakPolarHBondContact O-CB 3.35Å; L248-N252 PolarHBondContact O-N 2.8Å; L248-L267 HydrophobicContact CD2-CG 4.42Å; L248-Y268 HydrophobicContact CD1-CD2 4.13Å; L248-Y268 HydrophobicContact CD1-CE2 4.49Å; L248-Y268 HydrophobicContact CD2-CD2 4.2Å; L248-V271 HydrophobicContact CD2-CB 3.74Å; L248-V271 HydrophobicContact CD2-CG1 3.91Å; L248-V271 HydrophobicContact CD2-CG2 3.89Å; L248-V271 HydrophobicContact CG-CB 4.25Å; L248-V271 HydrophobicContact CG-CG1 3.84Å
249	S	98.4	Very high	96.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-66.8	-44.3	178.1	-81.9	0	0	0	0	113.1	F166 G197 M245 T246 L247 D253	F166-S249 WeakPolarHBondContact CE1-OG 3.37Å; G197-S249 CarbonylContact C-O 3.34Å; G197-S249 WeakPolarHBondContact CA-O 3.15Å; G197-S249 WeakPolarHBondContact O-CB 3.44Å; G197-S249 PolarHBondContact O-OG 2.87Å; M245-S249 PolarHBondContact O-N 2.76Å; M245-S249 PolarHBondContact O-OG 2.81Å; T246-S249 PolarHBondContact O-N 3.07Å; L247-S249 VanDerWaalsContact C-N 3.26Å; L247-S249 PolarHBondContact O-N 2.64Å; S249-D253 VanDerWaalsContact O-CB 3.25Å; S249-D253 WeakPolarHBondContact O-CB 3.1Å; S249-D253 PolarHBondContact O-N 3.16Å
250	C	98.4	Very high	97.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-44.5	178.6	-71.6	0	0	0	0	112.3	F140 Y160 T246 L247 D253 F254	F140-C250 HydrophobicContact CZ-CB 4.34Å; Y160-C250 HydrophobicContact CD1-CB 3.53Å; Y160-C250 HydrophobicContact CE1-CB 4.22Å; Y160-C250 HydrophobicContact CG-CB 4.13Å; T246-C250 WeakPolarHBondContact O-CB 3.46Å; T246-C250 PolarHBondContact O-N 2.87Å; T246-C250 PolarHBondContact O-SG 3.01Å; L247-C250 PolarHBondContact O-N 2.98Å; C250-D253 PolarHBondContact O-N 3.5Å; C250-F254 PolarHBondContact O-N 3.17Å
251	V	98.3	Very high	97.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-39.8	-179.2	179.9	0	0	0	0	111.2	L147 Y153 L157 L247 F254 F255 L267	L147-V251 HydrophobicContact CD1-CG2 4.19Å; Y153-V251 HydrophobicContact CD1-CG1 3.83Å; Y153-V251 HydrophobicContact CE1-CG1 3.62Å; L157-V251 HydrophobicContact CD1-CG1 4.47Å; L157-V251 HydrophobicContact CD1-CG2 4.3Å; L157-V251 HydrophobicContact CD2-CG2 4.26Å; L247-V251 HydrophobicContact CD1-CG2 3.9Å; L247-V251 HydrophobicContact CG-CG2 4.35Å; L247-V251 VanDerWaalsContact O-CG2 3.3Å; L247-V251 WeakPolarHBondContact O-CG2 3.41Å; L247-V251 PolarHBondContact O-N 3.08Å; V251-F254 WeakPolarHBondContact O-CB 3.47Å; V251-F254 PolarHBondContact O-N 2.69Å; V251-F255 HydrophobicContact CG1-CD2 4.26Å; V251-F255 HydrophobicContact CG1-CE1 4.43Å; V251-F255 HydrophobicContact CG1-CE2 3.82Å; V251-F255 HydrophobicContact CG1-CZ 3.93Å; V251-F255 WeakPolarHBondContact O-CG 3.22Å; V251-F255 PolarHBondContact O-N 3.47Å; V251-L267 HydrophobicContact CB-CD1 3.84Å; V251-L267 HydrophobicContact CG1-CD1 3.35Å
252	N	97.8	Very high	97.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-45.7	173.6	-178.2	2.2	0	0	0	111.3	A178 G197 L248 F254 F255 M256 Y262 L267	A178-N252 WeakPolarHBondContact CB-ND2 3.08Å; A178-N252 PolarHBondContact O-ND2 3.36Å; G197-N252 PolarHBondContact N-ND2 3.33Å; G197-N252 VanDerWaalsContact N-ND2 3.17Å; L248-N252 WeakPolarHBondContact O-CB 3.35Å; L248-N252 PolarHBondContact O-N 2.8Å; N252-F254 VanDerWaalsContact C-N 3.32Å; N252-F254 PolarHBondContact O-N 3.36Å; N252-F255 PolarHBondContact O-N 3.27Å; N252-M256 WeakPolarHBondContact O-CG 3.27Å; N252-M256 PolarHBondContact O-N 3.3Å; N252-Y262 PolarHBondContact OD1-OH 2.9Å; N252-L267 HydrophobicContact CB-CD2 3.99Å
253	D	97.9	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-43.3	174.7	177.3	75.9	0	0	0	112.3	Y160 L198 H199 S249 C250 M256 R257	Y160-D253 HydrophobicContact CE1-CB 4.42Å; Y160-D253 VanDerWaalsContact CE1-OD2 3.29Å; Y160-D253 WeakPolarHBondContact CE1-OD2 3.5Å; Y160-D253 PolarHBondContact OH-OD2 2.9Å; L198-D253 HydrophobicContact CB-CB 4.17Å; L198-D253 HydrophobicContact CD1-CB 4.11Å; L198-D253 HydrophobicContact CG-CB 3.9Å; H199-D253 IonicContact CD2-OD1 2.71Å; H199-D253 PolarHBondContact CD2-OD1 2.88Å; H199-D253 IonicContact NE2-OD1 3.21Å; H199-D253 PolarHBondContact NE2-OD1 3.06Å; S249-D253 VanDerWaalsContact O-CB 3.25Å; S249-D253 WeakPolarHBondContact O-CB 3.1Å; S249-D253 PolarHBondContact O-N 3.16Å; C250-D253 PolarHBondContact O-N 3.5Å; D253-M256 PolarHBondContact O-N 3.47Å; D253-R257 WeakPolarHBondContact O-CG 3.41Å; D253-R257 PolarHBondContact O-N 3.09Å; D253-R257 IonicContact OD1-CZ 3.96Å; D253-R257 IonicContact OD1-NE 2.83Å; D253-R257 PolarHBondContact OD1-NE 2.61Å; D253-R257 VanDerWaalsContact OD1-NE 3.09Å; D253-R257 IonicContact OD1-NH2 3.35Å; D253-R257 PolarHBondContact OD1-NH2 3.49Å; D253-R257 IonicContact OD2-CZ 3.05Å; D253-R257 IonicContact OD2-NE 3.56Å; D253-R257 PolarHBondContact OD2-NE 3.41Å; D253-R257 IonicContact OD2-NH1 3.5Å; D253-R257 IonicContact OD2-NH2 3.38Å; D253-R257 PolarHBondContact OD2-NH2 3.48Å
254	F	98.1	Very high	97.2	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-50	175.2	178.5	-90.9	0	0	0	111.7	P154 E156 L157 Y160 C250 V251 N252 M256 R257 H258 I260	P154-F254 HydrophobicContact CB-CE1 3.82Å; P154-F254 HydrophobicContact CB-CZ 3.76Å; P154-F254 HydrophobicContact CG-CE1 3.78Å; P154-F254 HydrophobicContact CG-CZ 4.22Å; E156-F254 HydrophobicContact CB-CE2 3.66Å; E156-F254 HydrophobicContact CB-CZ 4Å; L157-F254 HydrophobicContact CD2-CB 3.51Å; L157-F254 HydrophobicContact CD2-CD1 3.82Å; L157-F254 HydrophobicContact CD2-CD2 3.87Å; L157-F254 HydrophobicContact CD2-CG 3.44Å; L157-F254 VanDerWaalsContact CD2-CG 3.44Å; L157-F254 HydrophobicContact CG-CD1 4.25Å; L157-F254 HydrophobicContact CG-CD2 4.46Å; L157-F254 HydrophobicContact CG-CG 4.21Å; Y160-F254 HydrophobicContact CE2-CB 4.04Å; Y160-F254 AromaticContact CE2-CD2 3.81Å; Y160-F254 HydrophobicContact CE2-CD2 3.81Å; Y160-F254 HydrophobicContact CE2-CG 4.4Å; C250-F254 PolarHBondContact O-N 3.17Å; V251-F254 WeakPolarHBondContact O-CB 3.47Å; V251-F254 PolarHBondContact O-N 2.69Å; N252-F254 VanDerWaalsContact C-N 3.32Å; N252-F254 PolarHBondContact O-N 3.36Å; F254-M256 VanDerWaalsContact C-N 3.3Å; F254-M256 PolarHBondContact O-N 2.97Å; F254-R257 PolarHBondContact O-N 3.31Å; F254-H258 AromaticContact CD2-CD2 3.45Å; F254-H258 VanDerWaalsContact CD2-CD2 3.45Å; F254-H258 WeakPolarHBondContact CD2-CD2 3.46Å; F254-H258 AromaticContact CD2-NE2 3.69Å; F254-H258 AromaticContact CE1-CD2 3.98Å; F254-H258 AromaticContact CE2-CD2 3.26Å; F254-H258 WeakPolarHBondContact CE2-CD2 3.41Å; F254-H258 AromaticContact CE2-NE2 3.25Å; F254-H258 VanDerWaalsContact CE2-NE2 3.25Å; F254-H258 WeakPolarHBondContact CE2-NE2 3.23Å; F254-H258 AromaticContact CG-CD2 3.93Å; F254-H258 AromaticContact CZ-CD2 3.54Å; F254-H258 AromaticContact CZ-NE2 3.82Å; F254-H258 WeakPolarHBondContact O-CB 3.24Å; F254-H258 PolarHBondContact O-CD2 2.87Å; F254-H258 VanDerWaalsContact O-CD2 3.24Å; F254-H258 PolarHBondContact O-N 3.09Å; F254-I260 HydrophobicContact CD1-CD1 4.33Å; F254-I260 HydrophobicContact CE1-CD1 3.78Å
255	F	97.7	Very high	97	Very high	16 Å²	16	45.7 Å²	45.7	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-40.7	178.6	-69.1	-23.5	0	0	0	112.5	Y153 V251 N252 H258 N259 I260 Y262 L267	Y153-F255 HydrophobicContact CD1-CE1 4.33Å; Y153-F255 AromaticContact CD1-CZ 3.73Å; Y153-F255 HydrophobicContact CD1-CZ 3.73Å; Y153-F255 HydrophobicContact CE1-CE1 4.43Å; Y153-F255 AromaticContact CE1-CE2 3.97Å; Y153-F255 HydrophobicContact CE1-CE2 3.97Å; Y153-F255 AromaticContact CE1-CZ 3.43Å; Y153-F255 HydrophobicContact CE1-CZ 3.43Å; Y153-F255 VanDerWaalsContact CE1-CZ 3.43Å; V251-F255 HydrophobicContact CG1-CD2 4.26Å; V251-F255 HydrophobicContact CG1-CE1 4.43Å; V251-F255 HydrophobicContact CG1-CE2 3.82Å; V251-F255 HydrophobicContact CG1-CZ 3.93Å; V251-F255 WeakPolarHBondContact O-CG 3.22Å; V251-F255 PolarHBondContact O-N 3.47Å; N252-F255 PolarHBondContact O-N 3.27Å; F255-H258 PolarHBondContact O-N 3.21Å; F255-N259 PolarHBondContact O-N 2.96Å; F255-I260 HydrophobicContact CB-CB 4.17Å; F255-I260 HydrophobicContact CD1-CB 3.99Å; F255-I260 HydrophobicContact CD1-CD1 3.79Å; F255-I260 HydrophobicContact CD1-CG1 4.49Å; F255-I260 HydrophobicContact CD1-CG2 3.9Å; F255-I260 HydrophobicContact CE1-CD1 4.3Å; F255-I260 HydrophobicContact CE1-CG2 4.29Å; F255-I260 HydrophobicContact CG-CB 4.33Å; F255-I260 HydrophobicContact CG-CG2 4.31Å; F255-I260 PolarHBondContact O-N 3.07Å; F255-Y262 HydrophobicContact CB-CD1 3.59Å; F255-Y262 HydrophobicContact CB-CE1 3.58Å; F255-Y262 HydrophobicContact CB-CG 4.47Å; F255-Y262 AromaticContact CD2-CD1 3.42Å; F255-Y262 HydrophobicContact CD2-CD1 3.42Å; F255-Y262 VanDerWaalsContact CD2-CD1 3.42Å; F255-Y262 AromaticContact CD2-CD2 3.76Å; F255-Y262 HydrophobicContact CD2-CD2 3.76Å; F255-Y262 AromaticContact CD2-CE1 3.71Å; F255-Y262 HydrophobicContact CD2-CE1 3.71Å; F255-Y262 HydrophobicContact CD2-CE2 4.04Å; F255-Y262 AromaticContact CD2-CG 3.45Å; F255-Y262 HydrophobicContact CD2-CG 3.45Å; F255-Y262 VanDerWaalsContact CD2-CG 3.45Å; F255-Y262 HydrophobicContact CE2-CD1 4.33Å; F255-Y262 HydrophobicContact CE2-CD2 4.05Å; F255-Y262 AromaticContact CE2-CG 3.93Å; F255-Y262 HydrophobicContact CE2-CG 3.93Å; F255-Y262 AromaticContact CG-CD1 3.83Å; F255-Y262 HydrophobicContact CG-CD1 3.83Å; F255-Y262 HydrophobicContact CG-CE1 4.12Å; F255-Y262 HydrophobicContact CG-CG 4.25Å; F255-L267 HydrophobicContact CE2-CD1 4.26Å
256	M	96.1	Very high	96.8	Very high	80 Å²	80	50.9 Å²	50.9	39%	0.394	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-48.2	175.7	-69.9	174.5	60.9	0	0	112.4	R196 N252 D253 F254 H258 N259	R196-M256 HydrophobicContact CB-SD 4.35Å; R196-M256 HydrophobicContact CG-CE 4.29Å; R196-M256 HydrophobicContact CG-SD 3.6Å; N252-M256 WeakPolarHBondContact O-CG 3.27Å; N252-M256 PolarHBondContact O-N 3.3Å; D253-M256 PolarHBondContact O-N 3.47Å; F254-M256 VanDerWaalsContact C-N 3.3Å; F254-M256 PolarHBondContact O-N 2.97Å; M256-H258 VanDerWaalsContact C-N 3.28Å; M256-H258 PolarHBondContact O-N 2.74Å; M256-N259 PolarHBondContact O-N 3.04Å; M256-N259 VanDerWaalsContact O-N 3.16Å
257	R	96.1	Very high	96.7	Very high	148 Å²	148	51 Å²	51	56%	0.558	25%	0.247	S	C	*	.	H	α-helix	trans	-65.5	-31.6	-178.5	-72.1	178	-173.7	-173.2	4.4	113.2	H199 D253 F254	H199-R257 PolarHBondContact NE2-NH2 3.39Å; D253-R257 WeakPolarHBondContact O-CG 3.41Å; D253-R257 PolarHBondContact O-N 3.09Å; D253-R257 IonicContact OD1-CZ 3.96Å; D253-R257 IonicContact OD1-NE 2.83Å; D253-R257 PolarHBondContact OD1-NE 2.61Å; D253-R257 VanDerWaalsContact OD1-NE 3.09Å; D253-R257 IonicContact OD1-NH2 3.35Å; D253-R257 PolarHBondContact OD1-NH2 3.49Å; D253-R257 IonicContact OD2-CZ 3.05Å; D253-R257 IonicContact OD2-NE 3.56Å; D253-R257 PolarHBondContact OD2-NE 3.41Å; D253-R257 IonicContact OD2-NH1 3.5Å; D253-R257 IonicContact OD2-NH2 3.38Å; D253-R257 PolarHBondContact OD2-NH2 3.48Å; F254-R257 PolarHBondContact O-N 3.31Å
258	H	96.8	Very high	96.6	Very high	108 Å²	108	51.7 Å²	51.7	50%	0.5	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.4	178.3	-71.4	-82.4	0	0	0	113.3	F254 F255 M256 I260	F254-H258 AromaticContact CD2-CD2 3.45Å; F254-H258 VanDerWaalsContact CD2-CD2 3.45Å; F254-H258 WeakPolarHBondContact CD2-CD2 3.46Å; F254-H258 AromaticContact CD2-NE2 3.69Å; F254-H258 AromaticContact CE1-CD2 3.98Å; F254-H258 AromaticContact CE2-CD2 3.26Å; F254-H258 WeakPolarHBondContact CE2-CD2 3.41Å; F254-H258 AromaticContact CE2-NE2 3.25Å; F254-H258 VanDerWaalsContact CE2-NE2 3.25Å; F254-H258 WeakPolarHBondContact CE2-NE2 3.23Å; F254-H258 AromaticContact CG-CD2 3.93Å; F254-H258 AromaticContact CZ-CD2 3.54Å; F254-H258 AromaticContact CZ-NE2 3.82Å; F254-H258 WeakPolarHBondContact O-CB 3.24Å; F254-H258 PolarHBondContact O-CD2 2.87Å; F254-H258 VanDerWaalsContact O-CD2 3.24Å; F254-H258 PolarHBondContact O-N 3.09Å; F255-H258 PolarHBondContact O-N 3.21Å; M256-H258 VanDerWaalsContact C-N 3.28Å; M256-H258 PolarHBondContact O-N 2.74Å; H258-I260 HydrophobicContact CB-CD1 3.77Å; H258-I260 HydrophobicContact CB-CG1 3.92Å; H258-I260 PolarHBondContact O-N 3.4Å
259	N	96.5	Very high	96.4	Very high	151 Å²	151	57.2 Å²	57.2	81%	0.807	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.1	-179.8	-154.8	81.4	0	0	0	112.5	F255 M256	F255-N259 PolarHBondContact O-N 2.96Å; M256-N259 PolarHBondContact O-N 3.04Å; M256-N259 VanDerWaalsContact O-N 3.16Å
260	I	96.3	Very high	96.4	Very high	64 Å²	64	59 Å²	59	33%	0.328	28%	0.282	S	S	.	.			trans	-85.3	119.4	176.7	-65	168.4	0	0	0	107.4	F254 F255 H258 Y262	F254-I260 HydrophobicContact CD1-CD1 4.33Å; F254-I260 HydrophobicContact CE1-CD1 3.78Å; F255-I260 HydrophobicContact CB-CB 4.17Å; F255-I260 HydrophobicContact CD1-CB 3.99Å; F255-I260 HydrophobicContact CD1-CD1 3.79Å; F255-I260 HydrophobicContact CD1-CG1 4.49Å; F255-I260 HydrophobicContact CD1-CG2 3.9Å; F255-I260 HydrophobicContact CE1-CD1 4.3Å; F255-I260 HydrophobicContact CE1-CG2 4.29Å; F255-I260 HydrophobicContact CG-CB 4.33Å; F255-I260 HydrophobicContact CG-CG2 4.31Å; F255-I260 PolarHBondContact O-N 3.07Å; H258-I260 HydrophobicContact CB-CD1 3.77Å; H258-I260 HydrophobicContact CB-CG1 3.92Å; H258-I260 PolarHBondContact O-N 3.4Å; I260-Y262 WeakPolarHBondContact O-CD1 3.26Å
261	D	95.4	Very high	96.4	Very high	162 Å²	162	58.9 Å²	58.9	87%	0.866	28%	0.282	S	S	*	.			trans	-75.7	131.7	172.3	-170.2	25.8	0	0	0	109.9
262	Y	95.4	Very high	96.2	Very high	55 Å²	55	63.4 Å²	63.4	22%	0.216	30%	0.302	C	S	.	.			trans	-154.8	157.6	-175.6	76.4	-81.7	0	0	0	111.4	N252 F255 I260 P264 L267	N252-Y262 PolarHBondContact OD1-OH 2.9Å; F255-Y262 HydrophobicContact CB-CD1 3.59Å; F255-Y262 HydrophobicContact CB-CE1 3.58Å; F255-Y262 HydrophobicContact CB-CG 4.47Å; F255-Y262 AromaticContact CD2-CD1 3.42Å; F255-Y262 HydrophobicContact CD2-CD1 3.42Å; F255-Y262 VanDerWaalsContact CD2-CD1 3.42Å; F255-Y262 AromaticContact CD2-CD2 3.76Å; F255-Y262 HydrophobicContact CD2-CD2 3.76Å; F255-Y262 AromaticContact CD2-CE1 3.71Å; F255-Y262 HydrophobicContact CD2-CE1 3.71Å; F255-Y262 HydrophobicContact CD2-CE2 4.04Å; F255-Y262 AromaticContact CD2-CG 3.45Å; F255-Y262 HydrophobicContact CD2-CG 3.45Å; F255-Y262 VanDerWaalsContact CD2-CG 3.45Å; F255-Y262 HydrophobicContact CE2-CD1 4.33Å; F255-Y262 HydrophobicContact CE2-CD2 4.05Å; F255-Y262 AromaticContact CE2-CG 3.93Å; F255-Y262 HydrophobicContact CE2-CG 3.93Å; F255-Y262 AromaticContact CG-CD1 3.83Å; F255-Y262 HydrophobicContact CG-CD1 3.83Å; F255-Y262 HydrophobicContact CG-CE1 4.12Å; F255-Y262 HydrophobicContact CG-CG 4.25Å; I260-Y262 WeakPolarHBondContact O-CD1 3.26Å; Y262-P264 HydrophobicContact CE2-CG 4.22Å; Y262-P264 WeakPolarHBondContact O-CD 2.94Å; Y262-L267 HydrophobicContact CD2-CB 4.11Å; Y262-L267 HydrophobicContact CD2-CD2 4.36Å; Y262-L267 HydrophobicContact CE2-CB 4.04Å; Y262-L267 HydrophobicContact CE2-CD2 3.63Å; Y262-L267 HydrophobicContact CE2-CG 4.48Å
263	E	95.4	Very high	96.1	Very high	103 Å²	103	67 Å²	67	48%	0.481	32%	0.318	S	S	.	.			trans	-95.3	116.4	176.3	176.9	59.4	-119.4	0	0	110.2	V265 H266 L267	E263-V265 HydrophobicContact CG-CB 4.31Å; E263-V265 PolarHBondContact O-N 3.27Å; E263-V265 VanDerWaalsContact O-N 3.11Å; E263-H266 PolarHBondContact O-N 2.84Å; E263-L267 PolarHBondContact O-N 3.24Å
264	P	95.3	Very high	96	Very high	20 Å²	20	67 Å²	67	13%	0.13	32%	0.318	C	S	.	.	H	α-helix	trans	-51.3	-35.8	-178.1	-36.2	42	0	0	0	115.7	V175 Q176 A178 Y262 H266 L267 Y268	V175-P264 CarbonylContact O-C 3.58Å; V175-P264 WeakPolarHBondContact O-CB 3.45Å; Q176-P264 WeakPolarHBondContact O-CG 3.34Å; A178-P264 HydrophobicContact CB-CB 3.96Å; A178-P264 HydrophobicContact CB-CG 4.08Å; Y262-P264 HydrophobicContact CE2-CG 4.22Å; Y262-P264 WeakPolarHBondContact O-CD 2.94Å; P264-H266 VanDerWaalsContact C-N 3.28Å; P264-H266 PolarHBondContact O-N 3.19Å; P264-L267 PolarHBondContact O-N 2.81Å; P264-Y268 PolarHBondContact O-N 3.5Å
265	V	93.8	Very high	95.9	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-35.6	179.7	-178.9	0	0	0	0	111.7	V175 E263 K269	V175-V265 HydrophobicContact CG1-CB 4.39Å; V175-V265 HydrophobicContact CG1-CG2 4.16Å; E263-V265 HydrophobicContact CG-CB 4.31Å; E263-V265 PolarHBondContact O-N 3.27Å; E263-V265 VanDerWaalsContact O-N 3.11Å; V265-K269 HydrophobicContact CG1-CD 4.32Å; V265-K269 VanDerWaalsContact O-CG 3.28Å; V265-K269 WeakPolarHBondContact O-CG 3.29Å; V265-K269 PolarHBondContact O-N 3.43Å; V265-K269 VanDerWaalsContact O-N 3.16Å
266	H	95.1	Very high	95.7	Very high	110 Å²	110	72.5 Å²	72.5	51%	0.509	34%	0.339	S	S	.	.	H	α-helix	trans	-73.9	-43.5	178.8	-73.7	-59.9	0	0	0	111.4	E263 P264 Y268 K269 D270	E263-H266 PolarHBondContact O-N 2.84Å; P264-H266 VanDerWaalsContact C-N 3.28Å; P264-H266 PolarHBondContact O-N 3.19Å; H266-Y268 VanDerWaalsContact C-N 3.32Å; H266-Y268 PolarHBondContact O-N 3.37Å; H266-K269 PolarHBondContact O-N 3.27Å; H266-K269 VanDerWaalsContact O-N 3.15Å; H266-D270 PolarHBondContact O-N 3.06Å
267	L	96.1	Very high	95.5	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-53.7	-50.2	172.3	171.8	59.5	0	0	0	111.4	Y153 L248 V251 N252 F255 Y262 E263 P264 K269 D270 V271	Y153-L267 HydrophobicContact CE1-CD1 4.08Å; L248-L267 HydrophobicContact CD2-CG 4.42Å; V251-L267 HydrophobicContact CB-CD1 3.84Å; V251-L267 HydrophobicContact CG1-CD1 3.35Å; N252-L267 HydrophobicContact CB-CD2 3.99Å; F255-L267 HydrophobicContact CE2-CD1 4.26Å; Y262-L267 HydrophobicContact CD2-CB 4.11Å; Y262-L267 HydrophobicContact CD2-CD2 4.36Å; Y262-L267 HydrophobicContact CE2-CB 4.04Å; Y262-L267 HydrophobicContact CE2-CD2 3.63Å; Y262-L267 HydrophobicContact CE2-CG 4.48Å; E263-L267 PolarHBondContact O-N 3.24Å; P264-L267 PolarHBondContact O-N 2.81Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 2.9Å; L267-D270 PolarHBondContact O-N 3.33Å; L267-V271 HydrophobicContact CD1-CG2 3.78Å; L267-V271 WeakPolarHBondContact O-CG2 3.38Å; L267-V271 PolarHBondContact O-N 2.84Å
268	Y	95.8	Very high	95.4	Very high	17 Å²	17	62.4 Å²	62.4	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-43.1	178.9	174.4	-103	0	0	0	112.7	Y173 V175 F236 L248 P264 H266 K272	Y173-Y268 HydrophobicContact CD1-CD2 4.03Å; Y173-Y268 HydrophobicContact CE1-CD2 4.05Å; V175-Y268 HydrophobicContact CB-CD1 4.47Å; V175-Y268 HydrophobicContact CB-CG 4.4Å; V175-Y268 HydrophobicContact CG1-CD1 3.8Å; V175-Y268 HydrophobicContact CG1-CG 3.84Å; V175-Y268 HydrophobicContact CG2-CD1 3.75Å; V175-Y268 HydrophobicContact CG2-CD2 3.88Å; V175-Y268 HydrophobicContact CG2-CE1 3.96Å; V175-Y268 HydrophobicContact CG2-CE2 4.1Å; V175-Y268 HydrophobicContact CG2-CG 3.7Å; F236-Y268 HydrophobicContact CZ-CE2 4.13Å; L248-Y268 HydrophobicContact CD1-CD2 4.13Å; L248-Y268 HydrophobicContact CD1-CE2 4.49Å; L248-Y268 HydrophobicContact CD2-CD2 4.2Å; P264-Y268 PolarHBondContact O-N 3.5Å; H266-Y268 VanDerWaalsContact C-N 3.32Å; H266-Y268 PolarHBondContact O-N 3.37Å; Y268-K272 HydrophobicContact CE1-CD 3.98Å; Y268-K272 WeakPolarHBondContact O-CB 3.49Å; Y268-K272 PolarHBondContact O-N 3.1Å; Y268-K272 PolarHBondContact OH-NZ 2.94Å
269	K	94.9	Very high	95	Very high	115 Å²	115	59 Å²	59	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-46.6	179.7	-77.3	172.4	-179.2	174	0	112	V265 H266 L267 K272 E273	V265-K269 HydrophobicContact CG1-CD 4.32Å; V265-K269 VanDerWaalsContact O-CG 3.28Å; V265-K269 WeakPolarHBondContact O-CG 3.29Å; V265-K269 PolarHBondContact O-N 3.43Å; V265-K269 VanDerWaalsContact O-N 3.16Å; H266-K269 PolarHBondContact O-N 3.27Å; H266-K269 VanDerWaalsContact O-N 3.15Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 2.9Å; K269-K272 PolarHBondContact O-N 2.82Å; K269-E273 WeakPolarHBondContact O-CB 3.19Å; K269-E273 PolarHBondContact O-N 3.4Å
270	D	97.4	Very high	94.5	Very high	39 Å²	39	57.1 Å²	57.1	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-46.9	-178.9	-69.1	-23.3	0	0	0	111.1	L147 H151 Y153 H266 L267 K272 E273 A274	L147-D270 HydrophobicContact CD2-CB 3.9Å; H151-D270 IonicContact CE1-OD1 3.22Å; H151-D270 IonicContact ND1-OD1 3.2Å; H151-D270 PolarHBondContact ND1-OD1 3.49Å; Y153-D270 HydrophobicContact CE2-CB 4.13Å; Y153-D270 WeakPolarHBondContact CE2-OD2 3.47Å; Y153-D270 WeakPolarHBondContact OH-CB 3.25Å; Y153-D270 PolarHBondContact OH-OD2 3.06Å; H266-D270 PolarHBondContact O-N 3.06Å; L267-D270 PolarHBondContact O-N 3.33Å; D270-K272 VanDerWaalsContact C-N 3.35Å; D270-K272 PolarHBondContact O-N 3.17Å; D270-E273 PolarHBondContact O-N 3.03Å; D270-A274 WeakPolarHBondContact O-CB 3.12Å; D270-A274 PolarHBondContact O-N 2.88Å
271	V	97.6	Very high	94.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-44.4	178.1	173.5	0	0	0	0	111	L147 E244 L247 L248 L267 E273 A274 I275	L147-V271 HydrophobicContact CD1-CG2 3.87Å; L147-V271 HydrophobicContact CD2-CG2 4.48Å; E244-V271 HydrophobicContact CG-CG1 4.19Å; L247-V271 HydrophobicContact CB-CG1 4.27Å; L247-V271 HydrophobicContact CD2-CG1 4.05Å; L247-V271 HydrophobicContact CG-CG1 4.12Å; L248-V271 HydrophobicContact CD2-CB 3.74Å; L248-V271 HydrophobicContact CD2-CG1 3.91Å; L248-V271 HydrophobicContact CD2-CG2 3.89Å; L248-V271 HydrophobicContact CG-CB 4.25Å; L248-V271 HydrophobicContact CG-CG1 3.84Å; L267-V271 HydrophobicContact CD1-CG2 3.78Å; L267-V271 WeakPolarHBondContact O-CG2 3.38Å; L267-V271 PolarHBondContact O-N 2.84Å; V271-E273 VanDerWaalsContact C-N 3.31Å; V271-E273 PolarHBondContact O-N 3.37Å; V271-A274 PolarHBondContact O-N 2.89Å; V271-I275 HydrophobicContact CG1-CG1 4.45Å; V271-I275 WeakPolarHBondContact O-CG1 3.49Å; V271-I275 PolarHBondContact O-N 2.83Å
272	K	94.8	Very high	93.7	Very high	96 Å²	96	52 Å²	52	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-39.4	176.5	-176.5	179	-172.4	170.3	0	112.2	Y268 K269 D270 R276	Y268-K272 HydrophobicContact CE1-CD 3.98Å; Y268-K272 WeakPolarHBondContact O-CB 3.49Å; Y268-K272 PolarHBondContact O-N 3.1Å; Y268-K272 PolarHBondContact OH-NZ 2.94Å; K269-K272 PolarHBondContact O-N 2.82Å; D270-K272 VanDerWaalsContact C-N 3.35Å; D270-K272 PolarHBondContact O-N 3.17Å; K272-R276 VanDerWaalsContact O-CB 3.31Å; K272-R276 WeakPolarHBondContact O-CB 3.46Å; K272-R276 PolarHBondContact O-N 2.9Å
273	E	95.2	Very high	93.4	Very high	76 Å²	76	51.7 Å²	51.7	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-42.9	175.9	177.1	154.7	-136.2	0	0	111.8	H151 K269 D270 V271 I275 R276 D277	H151-E273 IonicContact CE1-OE2 3.97Å; K269-E273 WeakPolarHBondContact O-CB 3.19Å; K269-E273 PolarHBondContact O-N 3.4Å; D270-E273 PolarHBondContact O-N 3.03Å; V271-E273 VanDerWaalsContact C-N 3.31Å; V271-E273 PolarHBondContact O-N 3.37Å; E273-I275 PolarHBondContact O-N 3.48Å; E273-R276 WeakPolarHBondContact O-CB 3.37Å; E273-R276 PolarHBondContact O-N 3.2Å; E273-R276 IonicContact OE1-CZ 3.04Å; E273-R276 IonicContact OE1-NH2 3.07Å; E273-R276 PolarHBondContact OE1-NH2 3.09Å; E273-D277 WeakPolarHBondContact O-CB 3.44Å; E273-D277 PolarHBondContact O-N 3.25Å
274	A	96.8	Very high	93.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-47.3	175	0	0	0	0	0	111.7	A143 I146 L147 D270 V271 R276 D277 V278	A143-A274 HydrophobicContact CB-CB 4.24Å; I146-A274 HydrophobicContact CB-CB 4.14Å; I146-A274 HydrophobicContact CG2-CB 3.77Å; L147-A274 HydrophobicContact CD2-CB 3.91Å; L147-A274 HydrophobicContact CG-CB 3.97Å; D270-A274 WeakPolarHBondContact O-CB 3.12Å; D270-A274 PolarHBondContact O-N 2.88Å; V271-A274 PolarHBondContact O-N 2.89Å; A274-R276 VanDerWaalsContact C-N 3.35Å; A274-R276 PolarHBondContact O-N 2.85Å; A274-D277 WeakPolarHBondContact O-CB 3.38Å; A274-D277 PolarHBondContact O-N 2.56Å; A274-V278 WeakPolarHBondContact O-CG2 3.49Å; A274-V278 PolarHBondContact O-N 2.94Å; A274-V278 VanDerWaalsContact O-N 3.1Å
275	I	95.4	Very high	93.1	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-40.7	176.1	-67.1	-74.2	0	0	0	111.6	I139 A143 E244 V271 E273 D277 V278 H279	I139-I275 HydrophobicContact CG2-CD1 3.78Å; A143-I275 HydrophobicContact CB-CD1 3.59Å; A143-I275 HydrophobicContact CB-CG1 4.14Å; E244-I275 HydrophobicContact CB-CD1 4.11Å; E244-I275 HydrophobicContact CB-CG1 3.9Å; E244-I275 HydrophobicContact CG-CG1 4.01Å; V271-I275 HydrophobicContact CG1-CG1 4.45Å; V271-I275 WeakPolarHBondContact O-CG1 3.49Å; V271-I275 PolarHBondContact O-N 2.83Å; E273-I275 PolarHBondContact O-N 3.48Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.03Å; I275-V278 WeakPolarHBondContact O-CB 3.15Å; I275-V278 PolarHBondContact O-N 2.85Å; I275-H279 PolarHBondContact O-ND1 2.9Å
276	R	93	Very high	93.1	Very high	127 Å²	127	52.8 Å²	52.8	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-59.9	-43.8	174.2	-176.5	-166.8	70	-172.3	-4.2	110.7	K272 E273 A274 V278 H279 V280	K272-R276 VanDerWaalsContact O-CB 3.31Å; K272-R276 WeakPolarHBondContact O-CB 3.46Å; K272-R276 PolarHBondContact O-N 2.9Å; E273-R276 WeakPolarHBondContact O-CB 3.37Å; E273-R276 PolarHBondContact O-N 3.2Å; E273-R276 IonicContact OE1-CZ 3.04Å; E273-R276 IonicContact OE1-NH2 3.07Å; E273-R276 PolarHBondContact OE1-NH2 3.09Å; A274-R276 VanDerWaalsContact C-N 3.35Å; A274-R276 PolarHBondContact O-N 2.85Å; R276-V278 VanDerWaalsContact C-N 3.33Å; R276-V278 PolarHBondContact O-N 3.39Å; R276-H279 PolarHBondContact O-N 2.85Å; R276-V280 HydrophobicContact CG-CG2 3.77Å; R276-V280 WeakPolarHBondContact O-CB 3.23Å; R276-V280 WeakPolarHBondContact O-CG2 3.5Å; R276-V280 PolarHBondContact O-N 3.28Å
277	D	93.4	Very high	93	Very high	15 Å²	15	49 Å²	49	8%	0.08	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-36.2	-178.9	-84.4	9.3	0	0	0	112.5	I146 E273 A274 I275 H279 K281	I146-D277 HydrophobicContact CD1-CB 4.04Å; E273-D277 WeakPolarHBondContact O-CB 3.44Å; E273-D277 PolarHBondContact O-N 3.25Å; A274-D277 WeakPolarHBondContact O-CB 3.38Å; A274-D277 PolarHBondContact O-N 2.56Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.03Å; D277-H279 PolarHBondContact O-N 3.36Å; D277-K281 HydrophobicContact CB-CD 4.05Å; D277-K281 HydrophobicContact CB-CG 4.49Å; D277-K281 WeakPolarHBondContact O-CB 3.34Å; D277-K281 PolarHBondContact O-N 2.9Å; D277-K281 WeakPolarHBondContact OD2-CE 3.43Å; D277-K281 IonicContact OD2-NZ 2.64Å; D277-K281 PolarHBondContact OD2-NZ 3.32Å
278	V	92.6	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-53.2	-42.7	172.8	174.4	0	0	0	0	111.6	I139 I142 A143 I146 A274 I275 R276 I283 M284	I139-V278 HydrophobicContact CG1-CG1 4.19Å; I139-V278 HydrophobicContact CG2-CG1 4.34Å; I142-V278 HydrophobicContact CB-CG2 3.98Å; I142-V278 HydrophobicContact CG2-CG2 3.7Å; A143-V278 HydrophobicContact CB-CG2 4.06Å; I146-V278 HydrophobicContact CD1-CG2 4.07Å; A274-V278 WeakPolarHBondContact O-CG2 3.49Å; A274-V278 PolarHBondContact O-N 2.94Å; A274-V278 VanDerWaalsContact O-N 3.1Å; I275-V278 WeakPolarHBondContact O-CB 3.15Å; I275-V278 PolarHBondContact O-N 2.85Å; R276-V278 VanDerWaalsContact C-N 3.33Å; R276-V278 PolarHBondContact O-N 3.39Å; V278-I283 PolarHBondContact O-N 3.23Å; V278-M284 HydrophobicContact CG1-CB 3.7Å; V278-M284 PolarHBondContact O-N 3.05Å
279	H	88.1	Confident	92.7	Very high	38 Å²	38	50.6 Å²	50.6	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-83.9	-51.3	-178.1	-65.1	81.5	0	0	0	112.2	F240 I275 R276 D277 G282 M284 Y285	F240-H279 AromaticContact CD1-NE2 3.74Å; I275-H279 PolarHBondContact O-ND1 2.9Å; R276-H279 PolarHBondContact O-N 2.85Å; D277-H279 PolarHBondContact O-N 3.36Å; H279-G282 PolarHBondContact O-N 2.69Å; H279-G282 VanDerWaalsContact O-N 3.13Å; H279-M284 WeakPolarHBondContact CD2-CE 3.49Å; H279-Y285 WeakPolarHBondContact O-CE2 3.44Å
280	V	86.3	Confident	92.6	Very high	110 Å²	110	49.3 Å²	49.3	67%	0.667	25%	0.249	S	C	*	.	H	α-helix	trans	-71.7	-36	-172	174.8	0	0	0	0	112.3	R276 G282	R276-V280 HydrophobicContact CG-CG2 3.77Å; R276-V280 WeakPolarHBondContact O-CB 3.23Å; R276-V280 WeakPolarHBondContact O-CG2 3.5Å; R276-V280 PolarHBondContact O-N 3.28Å; V280-G282 PolarHBondContact O-N 2.88Å
281	K	87.3	Confident	92.5	Very high	106 Å²	106	51.4 Å²	51.4	46%	0.461	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	4	175.2	-60.6	176.8	173.7	167.1	0	112.5	D277 I283 R286	D277-K281 HydrophobicContact CB-CD 4.05Å; D277-K281 HydrophobicContact CB-CG 4.49Å; D277-K281 WeakPolarHBondContact O-CB 3.34Å; D277-K281 PolarHBondContact O-N 2.9Å; D277-K281 WeakPolarHBondContact OD2-CE 3.43Å; D277-K281 IonicContact OD2-NZ 2.64Å; D277-K281 PolarHBondContact OD2-NZ 3.32Å; K281-I283 HydrophobicContact CB-CD1 4.24Å; K281-I283 HydrophobicContact CB-CG1 4.01Å; K281-I283 PolarHBondContact O-N 3.23Å; K281-R286 PolarHBondContact O-NH2 2.91Å
282	G	87	Confident	92.2	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	25.4	178	0	0	0	0	0	114.4	H279 V280 R286	H279-G282 PolarHBondContact O-N 2.69Å; H279-G282 VanDerWaalsContact O-N 3.13Å; V280-G282 PolarHBondContact O-N 2.88Å; G282-R286 WeakPolarHBondContact O-CG 3.31Å; G282-R286 PolarHBondContact O-N 2.81Å; G282-R286 PolarHBondContact O-NE 2.86Å; G282-R286 VanDerWaalsContact O-NE 3.16Å
283	I	89.7	Confident	92.1	Very high	47 Å²	47	50.3 Å²	50.3	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-46.6	179.8	-52.5	173.1	0	0	0	109.2	I142 I146 V278 K281 R286 A287	I142-I283 HydrophobicContact CD1-CG2 3.75Å; I142-I283 HydrophobicContact CG1-CG2 4.42Å; I142-I283 HydrophobicContact CG2-CD1 4.15Å; I142-I283 HydrophobicContact CG2-CG2 3.98Å; I146-I283 HydrophobicContact CD1-CD1 4.31Å; V278-I283 PolarHBondContact O-N 3.23Å; K281-I283 HydrophobicContact CB-CD1 4.24Å; K281-I283 HydrophobicContact CB-CG1 4.01Å; K281-I283 PolarHBondContact O-N 3.23Å; I283-R286 PolarHBondContact O-N 3.26Å; I283-A287 PolarHBondContact O-N 3.25Å; I283-A287 VanDerWaalsContact O-N 3.13Å
284	M	92.6	Very high	92	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-47.6	176.3	175.4	-92.7	-74.1	0	0	111.9	L135 I139 F240 V278 H279 R286 A287 V288	L135-M284 HydrophobicContact CD1-CG 3.68Å; L135-M284 HydrophobicContact CD1-SD 4.2Å; I139-M284 HydrophobicContact CG1-CG 4.27Å; F240-M284 HydrophobicContact CE1-CE 4.34Å; V278-M284 HydrophobicContact CG1-CB 3.7Å; V278-M284 PolarHBondContact O-N 3.05Å; H279-M284 WeakPolarHBondContact CD2-CE 3.49Å; M284-R286 PolarHBondContact O-N 2.91Å; M284-A287 PolarHBondContact O-N 2.95Å; M284-V288 HydrophobicContact CG-CG2 4.41Å; M284-V288 WeakPolarHBondContact O-CG2 3.33Å; M284-V288 PolarHBondContact O-N 3.02Å; M284-V288 HydrophobicContact SD-CG2 4.25Å
285	Y	92	Very high	91.9	Very high	31 Å²	31	51.6 Å²	51.6	12%	0.122	27%	0.272	C	S	.	.	H	α-helix	trans	-56.7	-48	179.3	-59.5	-48.8	0	0	0	112.4	H279 A287 V288 E289 S322 P323 F326	H279-Y285 WeakPolarHBondContact O-CE2 3.44Å; Y285-A287 VanDerWaalsContact C-N 3.35Å; Y285-A287 PolarHBondContact O-N 3.14Å; Y285-V288 PolarHBondContact O-N 3.3Å; Y285-E289 WeakPolarHBondContact O-CB 3.48Å; Y285-E289 VanDerWaalsContact O-CG 3.28Å; Y285-E289 WeakPolarHBondContact O-CG 3.4Å; Y285-E289 PolarHBondContact O-N 3.28Å; Y285-S322 PolarHBondContact OH-OG 2.86Å; Y285-P323 HydrophobicContact CD2-CG 3.97Å; Y285-P323 VanDerWaalsContact CE2-CD 3.44Å; Y285-P323 HydrophobicContact CE2-CG 3.76Å; Y285-F326 HydrophobicContact CD1-CB 4.21Å; Y285-F326 AromaticContact CD1-CD1 3.49Å; Y285-F326 HydrophobicContact CD1-CD1 3.49Å; Y285-F326 VanDerWaalsContact CD1-CD1 3.49Å; Y285-F326 AromaticContact CD1-CD2 3.57Å; Y285-F326 HydrophobicContact CD1-CD2 3.57Å; Y285-F326 AromaticContact CD1-CE1 3.6Å; Y285-F326 HydrophobicContact CD1-CE1 3.6Å; Y285-F326 AromaticContact CD1-CE2 3.72Å; Y285-F326 HydrophobicContact CD1-CE2 3.72Å; Y285-F326 AromaticContact CD1-CG 3.46Å; Y285-F326 HydrophobicContact CD1-CG 3.46Å; Y285-F326 VanDerWaalsContact CD1-CG 3.46Å; Y285-F326 AromaticContact CD1-CZ 3.72Å; Y285-F326 HydrophobicContact CD1-CZ 3.72Å; Y285-F326 AromaticContact CE1-CD1 3.67Å; Y285-F326 HydrophobicContact CE1-CD1 3.67Å; Y285-F326 AromaticContact CE1-CE1 3.71Å; Y285-F326 HydrophobicContact CE1-CE1 3.71Å; Y285-F326 HydrophobicContact CE1-CG 4.09Å; Y285-F326 HydrophobicContact CE1-CZ 4.22Å; Y285-F326 HydrophobicContact CG-CB 4.37Å; Y285-F326 HydrophobicContact CG-CD1 4.44Å; Y285-F326 HydrophobicContact CG-CD2 4.04Å; Y285-F326 HydrophobicContact CG-CE2 4.47Å; Y285-F326 HydrophobicContact CG-CG 4.02Å
286	R	93.7	Very high	91.7	Very high	154 Å²	154	51.3 Å²	51.3	58%	0.581	27%	0.271	S	S	*	.	H	α-helix	trans	-62.5	-40	178.5	-73.9	-179.5	-68.6	-155.1	-1.4	113	K281 G282 I283 M284 A290	K281-R286 PolarHBondContact O-NH2 2.91Å; G282-R286 WeakPolarHBondContact O-CG 3.31Å; G282-R286 PolarHBondContact O-N 2.81Å; G282-R286 PolarHBondContact O-NE 2.86Å; G282-R286 VanDerWaalsContact O-NE 3.16Å; I283-R286 PolarHBondContact O-N 3.26Å; M284-R286 PolarHBondContact O-N 2.91Å; R286-A290 WeakPolarHBondContact O-CB 3.44Å; R286-A290 PolarHBondContact O-N 2.87Å; R286-A290 VanDerWaalsContact O-N 3.1Å
287	A	92.7	Very high	91.4	Very high	30 Å²	30	51 Å²	51	25%	0.248	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-37.3	178.6	0	0	0	0	0	111.9	L138 I283 M284 Y285 Y295	L138-A287 HydrophobicContact CD1-CB 4.13Å; L138-A287 HydrophobicContact CD2-CB 3.66Å; L138-A287 HydrophobicContact CG-CB 4.48Å; I283-A287 PolarHBondContact O-N 3.25Å; I283-A287 VanDerWaalsContact O-N 3.13Å; M284-A287 PolarHBondContact O-N 2.95Å; Y285-A287 VanDerWaalsContact C-N 3.35Å; Y285-A287 PolarHBondContact O-N 3.14Å; A287-Y295 WeakPolarHBondContact O-CE2 3.36Å
288	V	93	Very high	90.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.6	-44	175.1	171.5	0	0	0	0	111.4	Y131 L135 M284 Y285 A290 D291 I292 Y295 F326	Y131-V288 HydrophobicContact CE1-CG1 4.5Å; L135-V288 HydrophobicContact CD1-CG2 3.81Å; M284-V288 HydrophobicContact CG-CG2 4.41Å; M284-V288 WeakPolarHBondContact O-CG2 3.33Å; M284-V288 PolarHBondContact O-N 3.02Å; M284-V288 HydrophobicContact SD-CG2 4.25Å; Y285-V288 PolarHBondContact O-N 3.3Å; V288-A290 PolarHBondContact O-N 2.91Å; V288-D291 CarbonylContact O-C 3.06Å; V288-D291 VanDerWaalsContact O-C 3.24Å; V288-D291 PolarHBondContact O-N 2.81Å; V288-I292 VanDerWaalsContact O-CA 3.22Å; V288-I292 WeakPolarHBondContact O-CA 3.27Å; V288-I292 PolarHBondContact O-N 2.87Å; V288-Y295 HydrophobicContact CB-CD2 4.19Å; V288-Y295 HydrophobicContact CB-CG 4.46Å; V288-Y295 HydrophobicContact CG1-CD2 4.34Å; V288-Y295 HydrophobicContact CG1-CG 4.41Å; V288-Y295 HydrophobicContact CG2-CD1 4.38Å; V288-Y295 HydrophobicContact CG2-CD2 4.02Å; V288-Y295 HydrophobicContact CG2-CG 3.93Å; V288-F326 HydrophobicContact CB-CE2 3.87Å; V288-F326 HydrophobicContact CB-CZ 4.44Å; V288-F326 HydrophobicContact CG1-CE2 3.66Å; V288-F326 HydrophobicContact CG1-CZ 4.03Å
289	E	92.8	Very high	90.1	Very high	52 Å²	52	55.5 Å²	55.5	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-32.5	177.4	-74.8	170.8	173.8	0	0	113.2	Y285 D291 F326 R329	Y285-E289 WeakPolarHBondContact O-CB 3.48Å; Y285-E289 VanDerWaalsContact O-CG 3.28Å; Y285-E289 WeakPolarHBondContact O-CG 3.4Å; Y285-E289 PolarHBondContact O-N 3.28Å; E289-D291 VanDerWaalsContact C-N 3.29Å; E289-D291 PolarHBondContact O-N 2.8Å; E289-F326 HydrophobicContact CG-CD2 3.96Å; E289-F326 VanDerWaalsContact OE1-CA 3.22Å; E289-F326 WeakPolarHBondContact OE1-CA 3.39Å; E289-F326 PolarHBondContact OE1-N 2.95Å; E289-R329 HydrophobicContact CG-CB 4.32Å; E289-R329 HydrophobicContact CG-CG 4.27Å
290	A	93.9	Very high	90.1	Very high	89 Å²	89	61.3 Å²	61.3	74%	0.736	32%	0.317	S	S	*	.	H	α-helix	trans	-67.2	-28.1	178.8	0	0	0	0	0	113.1	R286 V288	R286-A290 WeakPolarHBondContact O-CB 3.44Å; R286-A290 PolarHBondContact O-N 2.87Å; R286-A290 VanDerWaalsContact O-N 3.1Å; V288-A290 PolarHBondContact O-N 2.91Å
291	D	93.9	Very high	90.5	Very high	82 Å²	82	59.5 Å²	59.5	44%	0.439	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	65.9	179.8	-171.1	-1.6	0	0	0	111.3	V288 E289 G293 K294 Y295	V288-D291 CarbonylContact O-C 3.06Å; V288-D291 VanDerWaalsContact O-C 3.24Å; V288-D291 PolarHBondContact O-N 2.81Å; E289-D291 VanDerWaalsContact C-N 3.29Å; E289-D291 PolarHBondContact O-N 2.8Å; D291-G293 VanDerWaalsContact C-N 3.26Å; D291-G293 PolarHBondContact O-N 3.12Å; D291-K294 HydrophobicContact CB-CB 4.31Å; D291-K294 VanDerWaalsContact CG-CB 3.47Å; D291-K294 WeakPolarHBondContact O-CB 3.39Å; D291-K294 PolarHBondContact O-N 3.14Å; D291-K294 VanDerWaalsContact O-N 3.16Å; D291-K294 PolarHBondContact OD1-N 3.29Å; D291-K294 WeakPolarHBondContact OD2-CB 3.41Å; D291-K294 WeakPolarHBondContact OD2-CD 3.25Å; D291-Y295 HydrophobicContact CB-CE2 4.41Å; D291-Y295 WeakPolarHBondContact O-CD2 3.35Å
292	I	92.7	Very high	90.8	Very high	31 Å²	31	54.5 Å²	54.5	16%	0.159	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-32	-169.8	-157.7	161.7	0	0	0	113.4	V288 K294 Y295 I296 G330 F333	V288-I292 VanDerWaalsContact O-CA 3.22Å; V288-I292 WeakPolarHBondContact O-CA 3.27Å; V288-I292 PolarHBondContact O-N 2.87Å; I292-K294 VanDerWaalsContact C-N 3.29Å; I292-K294 PolarHBondContact O-N 3.39Å; I292-Y295 PolarHBondContact O-N 3.25Å; I292-I296 HydrophobicContact CD1-CD1 3.79Å; I292-I296 HydrophobicContact CG1-CB 4.46Å; I292-I296 HydrophobicContact CG1-CD1 3.56Å; I292-I296 HydrophobicContact CG1-CG1 3.93Å; I292-I296 PolarHBondContact O-N 3.17Å; I292-G330 VanDerWaalsContact CD1-CA 3.5Å; I292-F333 HydrophobicContact CD1-CB 3.98Å; I292-F333 HydrophobicContact CD1-CG 4.38Å; I292-F333 HydrophobicContact CG1-CD1 4.48Å; I292-F333 HydrophobicContact CG1-CG 4.42Å; I292-F333 HydrophobicContact CG2-CB 4.29Å; I292-F333 HydrophobicContact CG2-CD1 4.38Å; I292-F333 HydrophobicContact CG2-CD2 3.53Å; I292-F333 HydrophobicContact CG2-CE2 3.87Å; I292-F333 HydrophobicContact CG2-CG 3.81Å; I292-F333 HydrophobicContact CG2-CZ 4.43Å
293	G	91.9	Very high	91.3	Very high	43 Å²	43	56.8 Å²	56.8	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-68.9	-25.8	179.7	0	0	0	0	0	113.4	D291	D291-G293 VanDerWaalsContact C-N 3.26Å; D291-G293 PolarHBondContact O-N 3.12Å
294	K	94.1	Very high	91.6	Very high	84 Å²	84	56.5 Å²	56.5	37%	0.365	29%	0.291	S	S	.	.	H	α-helix	trans	-71.4	-35.8	172.7	178.8	-178.7	178.5	-175.5	0	112.3	S132 H134 D291 I292	S132-K294 PolarHBondContact OG-O 3.01Å; H134-K294 HydrophobicContact CB-CG 4.44Å; D291-K294 HydrophobicContact CB-CB 4.31Å; D291-K294 VanDerWaalsContact CG-CB 3.47Å; D291-K294 WeakPolarHBondContact O-CB 3.39Å; D291-K294 PolarHBondContact O-N 3.14Å; D291-K294 VanDerWaalsContact O-N 3.16Å; D291-K294 PolarHBondContact OD1-N 3.29Å; D291-K294 WeakPolarHBondContact OD2-CB 3.41Å; D291-K294 WeakPolarHBondContact OD2-CD 3.25Å; I292-K294 VanDerWaalsContact C-N 3.29Å; I292-K294 PolarHBondContact O-N 3.39Å
295	Y	93.4	Very high	91.9	Very high	18 Å²	18	56.6 Å²	56.6	7%	0.071	29%	0.292	C	S	.	.	H	α-helix	trans	-99	-35.9	-170.6	-64.1	-72.7	0	0	0	113.9	Y131 S132 H134 L135 L138 A287 V288 D291 I292	Y131-Y295 CarbonylContact C-O 3.53Å; Y131-Y295 WeakPolarHBondContact CA-O 3.47Å; S132-Y295 PolarHBondContact N-O 3.29Å; H134-Y295 HydrophobicContact CB-CD1 4Å; H134-Y295 HydrophobicContact CB-CE1 3.77Å; L135-Y295 HydrophobicContact CB-CD1 4.15Å; L138-Y295 HydrophobicContact CB-CE1 4.37Å; L138-Y295 HydrophobicContact CD2-CE1 3.98Å; A287-Y295 WeakPolarHBondContact O-CE2 3.36Å; V288-Y295 HydrophobicContact CB-CD2 4.19Å; V288-Y295 HydrophobicContact CB-CG 4.46Å; V288-Y295 HydrophobicContact CG1-CD2 4.34Å; V288-Y295 HydrophobicContact CG1-CG 4.41Å; V288-Y295 HydrophobicContact CG2-CD1 4.38Å; V288-Y295 HydrophobicContact CG2-CD2 4.02Å; V288-Y295 HydrophobicContact CG2-CG 3.93Å; D291-Y295 HydrophobicContact CB-CE2 4.41Å; D291-Y295 WeakPolarHBondContact O-CD2 3.35Å; I292-Y295 PolarHBondContact O-N 3.25Å
296	I	92.2	Very high	92.2	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.5	-177.5	-60.9	-172.8	0	0	0	111	A129 F130 Y131 I292 F333 I334	A129-I296 HydrophobicContact CB-CD1 4.41Å; F130-I296 CarbonylContact O-C 3.54Å; F130-I296 WeakPolarHBondContact O-CA 2.98Å; Y131-I296 HydrophobicContact CD1-CG1 4.27Å; Y131-I296 HydrophobicContact CE1-CG1 4.06Å; I292-I296 HydrophobicContact CD1-CD1 3.79Å; I292-I296 HydrophobicContact CG1-CB 4.46Å; I292-I296 HydrophobicContact CG1-CD1 3.56Å; I292-I296 HydrophobicContact CG1-CG1 3.93Å; I292-I296 PolarHBondContact O-N 3.17Å; I296-F333 HydrophobicContact CB-CD1 4.4Å; I296-F333 HydrophobicContact CB-CE1 4.34Å; I296-F333 HydrophobicContact CG2-CD1 4.3Å; I296-F333 HydrophobicContact CG2-CE1 4.38Å; I296-I334 HydrophobicContact CG2-CD1 4.2Å; I296-I334 HydrophobicContact CG2-CG1 4.14Å
297	W	86.8	Confident	92.4	Very high	120 Å²	120	54.4 Å²	54.4	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	162.1	173.7	-73.5	0.6	0	0	0	111.5	F130 G299	F130-W297 PolarHBondContact O-N 3Å; W297-G299 VanDerWaalsContact C-N 3.28Å; W297-G299 PolarHBondContact O-N 3.07Å
298	Y	76.1	Confident	92.6	Very high	99 Å²	99	55.2 Å²	55.2	39%	0.388	29%	0.285	S	S	.	.			trans	60.1	25.9	172.5	-53	-60.9	0	0	0	116.8	F130 E300 Q301 S302	F130-Y298 HydrophobicContact CB-CD2 3.95Å; F130-Y298 HydrophobicContact CG-CD2 4.14Å; Y298-E300 VanDerWaalsContact C-N 3.3Å; Y298-E300 PolarHBondContact O-N 3.1Å; Y298-Q301 VanDerWaalsContact C-OE1 3.24Å; Y298-Q301 PolarHBondContact O-N 3.13Å; Y298-Q301 PolarHBondContact O-OE1 3.22Å; Y298-S302 PolarHBondContact O-N 3.2Å
299	G	81.4	Confident	92.9	Very high	11 Å²	11	55.4 Å²	55.4	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-42.4	-179.5	0	0	0	0	0	113.2	W297 Q301 S302 H303 I334	W297-G299 VanDerWaalsContact C-N 3.28Å; W297-G299 PolarHBondContact O-N 3.07Å; G299-Q301 PolarHBondContact O-N 2.95Å; G299-S302 PolarHBondContact O-N 3.04Å; G299-H303 WeakPolarHBondContact O-CB 3.36Å; G299-H303 PolarHBondContact O-N 2.78Å; G299-I334 WeakPolarHBondContact O-CG2 3.5Å
300	E	89.6	Confident	93.1	Very high	160 Å²	160	55.4 Å²	55.4	75%	0.748	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-40.1	-179.2	-64.1	-174.4	166	0	0	112.9	Y298 H303 A304	Y298-E300 VanDerWaalsContact C-N 3.3Å; Y298-E300 PolarHBondContact O-N 3.1Å; E300-H303 PolarHBondContact O-N 3.23Å; E300-A304 WeakPolarHBondContact O-CB 3.37Å; E300-A304 PolarHBondContact O-N 3.23Å
301	Q	92.8	Very high	93.3	Very high	71 Å²	71	55.1 Å²	55.1	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-71.9	-40.6	-179.6	-61.8	81.2	1.4	0	0	111.6	Y298 G299 H303 A304 V305	Y298-Q301 VanDerWaalsContact C-OE1 3.24Å; Y298-Q301 PolarHBondContact O-N 3.13Å; Y298-Q301 PolarHBondContact O-OE1 3.22Å; G299-Q301 PolarHBondContact O-N 2.95Å; Q301-H303 VanDerWaalsContact C-N 3.33Å; Q301-H303 PolarHBondContact O-N 3.31Å; Q301-A304 PolarHBondContact O-N 3.31Å; Q301-V305 WeakPolarHBondContact O-CG2 3.34Å; Q301-V305 PolarHBondContact O-N 3.25Å; Q301-V305 VanDerWaalsContact O-N 3.15Å
302	S	95	Very high	93.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-45.2	173.2	-67.9	0	0	0	0	110.8	L128 Y298 G299 A304 V305 L306	L128-S302 WeakPolarHBondContact O-CB 3.14Å; L128-S302 PolarHBondContact O-OG 3.08Å; Y298-S302 PolarHBondContact O-N 3.2Å; G299-S302 PolarHBondContact O-N 3.04Å; S302-A304 PolarHBondContact O-N 2.97Å; S302-V305 PolarHBondContact O-N 3.27Å; S302-L306 WeakPolarHBondContact O-CG 3.42Å; S302-L306 PolarHBondContact O-N 3.26Å; S302-L306 VanDerWaalsContact O-N 3.13Å
303	H	96.4	Very high	93.7	Very high	62 Å²	62	57.8 Å²	57.8	29%	0.287	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-44.7	175.3	179.7	-170.8	0	0	0	112	G299 E300 Q301 V305 L306 K307 I334 V335	G299-H303 WeakPolarHBondContact O-CB 3.36Å; G299-H303 PolarHBondContact O-N 2.78Å; E300-H303 PolarHBondContact O-N 3.23Å; Q301-H303 VanDerWaalsContact C-N 3.33Å; Q301-H303 PolarHBondContact O-N 3.31Å; H303-V305 VanDerWaalsContact C-N 3.27Å; H303-V305 PolarHBondContact O-N 2.93Å; H303-L306 PolarHBondContact O-N 3.11Å; H303-K307 WeakPolarHBondContact O-CB 3.21Å; H303-K307 PolarHBondContact O-N 2.82Å; H303-I334 HydrophobicContact CB-CG2 4.49Å; H303-I334 WeakPolarHBondContact CB-O 3.41Å; H303-V335 HydrophobicContact CB-CG2 4.22Å; H303-V335 PolarHBondContact CE1-O 2.97Å
304	A	97.3	Very high	94	Very high	41 Å²	41	57.6 Å²	57.6	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-57.8	-38.9	178.3	0	0	0	0	0	112.6	E300 Q301 S302 K308 L529	E300-A304 WeakPolarHBondContact O-CB 3.37Å; E300-A304 PolarHBondContact O-N 3.23Å; Q301-A304 PolarHBondContact O-N 3.31Å; S302-A304 PolarHBondContact O-N 2.97Å; A304-K308 WeakPolarHBondContact O-CB 3.08Å; A304-K308 PolarHBondContact O-N 2.88Å; A304-L529 HydrophobicContact CB-CD1 3.95Å; A304-L529 HydrophobicContact CB-CD2 4.02Å
305	V	97.8	Very high	94.2	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-49.7	175.9	176.8	0	0	0	0	111.2	Q301 S302 H303 K307 K308 L309 I525 M528 L529	Q301-V305 WeakPolarHBondContact O-CG2 3.34Å; Q301-V305 PolarHBondContact O-N 3.25Å; Q301-V305 VanDerWaalsContact O-N 3.15Å; S302-V305 PolarHBondContact O-N 3.27Å; H303-V305 VanDerWaalsContact C-N 3.27Å; H303-V305 PolarHBondContact O-N 2.93Å; V305-K307 VanDerWaalsContact C-N 3.29Å; V305-K307 PolarHBondContact O-N 3.18Å; V305-K308 WeakPolarHBondContact O-CB 3.34Å; V305-K308 PolarHBondContact O-N 3.2Å; V305-K308 VanDerWaalsContact O-N 3.16Å; V305-L309 HydrophobicContact CG1-CD1 4.11Å; V305-L309 HydrophobicContact CG1-CG 4.47Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 3.5Å; V305-I525 HydrophobicContact CG1-CG1 4.1Å; V305-I525 HydrophobicContact CG2-CG2 4.47Å; V305-I525 WeakPolarHBondContact CG2-O 3.47Å; V305-M528 HydrophobicContact CG1-CB 4.18Å; V305-M528 HydrophobicContact CG2-CB 4.34Å; V305-L529 HydrophobicContact CB-CD2 4.47Å; V305-L529 HydrophobicContact CG2-CD1 4.3Å; V305-L529 HydrophobicContact CG2-CD2 3.72Å; V305-L529 HydrophobicContact CG2-CG 3.7Å
306	L	98.2	Very high	94.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-41.9	179.9	-63.8	173.5	0	0	0	111.4	F122 L128 S302 H303 L309 S310 M316 M331 V335 L342 F343	F122-L306 HydrophobicContact CD2-CD2 4.37Å; F122-L306 HydrophobicContact CE2-CD2 3.95Å; F122-L306 HydrophobicContact CZ-CD2 4.07Å; L128-L306 HydrophobicContact CD2-CD1 4.4Å; L128-L306 HydrophobicContact CD2-CD2 4.14Å; L128-L306 HydrophobicContact CD2-CG 4.44Å; S302-L306 WeakPolarHBondContact O-CG 3.42Å; S302-L306 PolarHBondContact O-N 3.26Å; S302-L306 VanDerWaalsContact O-N 3.13Å; H303-L306 PolarHBondContact O-N 3.11Å; L306-L309 PolarHBondContact O-N 3.46Å; L306-S310 WeakPolarHBondContact O-CB 3.48Å; L306-S310 PolarHBondContact O-N 3.38Å; L306-M316 HydrophobicContact CD2-SD 3.95Å; L306-M331 HydrophobicContact CD1-CE 4.02Å; L306-V335 HydrophobicContact CD1-CG2 3.91Å; L306-L342 HydrophobicContact CB-CD1 3.85Å; L306-L342 HydrophobicContact CD1-CD1 4.35Å; L306-F343 HydrophobicContact CD1-CE2 4.25Å; L306-F343 HydrophobicContact CD1-CZ 3.93Å; L306-F343 HydrophobicContact CD2-CE1 4.26Å; L306-F343 HydrophobicContact CD2-CZ 3.82Å
307	K	97.8	Very high	94.7	Very high	138 Å²	138	57.1 Å²	57.1	60%	0.6	30%	0.301	S	S	*	.	H	α-helix	trans	-63.7	-43.2	175.7	-172	178.7	-178.7	179.1	0	111.8	H303 V305 L309 S310 A311	H303-K307 WeakPolarHBondContact O-CB 3.21Å; H303-K307 PolarHBondContact O-N 2.82Å; V305-K307 VanDerWaalsContact C-N 3.29Å; V305-K307 PolarHBondContact O-N 3.18Å; K307-L309 VanDerWaalsContact C-N 3.34Å; K307-L309 PolarHBondContact O-N 3.4Å; K307-S310 PolarHBondContact O-N 3.27Å; K307-A311 VanDerWaalsContact O-CB 3.31Å; K307-A311 WeakPolarHBondContact O-CB 3.33Å; K307-A311 PolarHBondContact O-N 3.28Å
308	K	97.9	Very high	95.2	Very high	47 Å²	47	51.4 Å²	51.4	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-46	176	179.3	178.8	178.7	178.7	0	111.2	A304 V305 A311 H312 M528 L529 Y531	A304-K308 WeakPolarHBondContact O-CB 3.08Å; A304-K308 PolarHBondContact O-N 2.88Å; V305-K308 WeakPolarHBondContact O-CB 3.34Å; V305-K308 PolarHBondContact O-N 3.2Å; V305-K308 VanDerWaalsContact O-N 3.16Å; K308-A311 PolarHBondContact O-N 3.44Å; K308-H312 PolarHBondContact O-N 3.13Å; K308-H312 PolarHBondContact O-ND1 3.37Å; K308-M528 PolarHBondContact NZ-O 3.22Å; K308-L529 HydrophobicContact CD-CD2 4.18Å; K308-L529 PolarHBondContact NZ-O 2.94Å; K308-Y531 PolarHBondContact NZ-O 2.74Å
309	L	98.4	Very high	96.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-45.5	178	-67.4	174	0	0	0	111.8	Y120 F122 V305 L306 K307 A311 H312 G313 K314 M316 L533	Y120-L309 HydrophobicContact CD1-CD1 3.78Å; Y120-L309 HydrophobicContact CD1-CD2 3.85Å; Y120-L309 HydrophobicContact CD1-CG 4.5Å; Y120-L309 HydrophobicContact CD2-CD2 4.13Å; Y120-L309 HydrophobicContact CE1-CD1 4.4Å; Y120-L309 HydrophobicContact CE1-CD2 3.68Å; Y120-L309 HydrophobicContact CE2-CD2 3.97Å; Y120-L309 HydrophobicContact CG-CD1 3.94Å; Y120-L309 HydrophobicContact CG-CD2 4.1Å; F122-L309 HydrophobicContact CE2-CD1 4.34Å; F122-L309 HydrophobicContact CZ-CD1 3.65Å; V305-L309 HydrophobicContact CG1-CD1 4.11Å; V305-L309 HydrophobicContact CG1-CG 4.47Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 3.5Å; L306-L309 PolarHBondContact O-N 3.46Å; K307-L309 VanDerWaalsContact C-N 3.34Å; K307-L309 PolarHBondContact O-N 3.4Å; L309-A311 PolarHBondContact O-N 3.27Å; L309-H312 CarbonylContact O-C 3.56Å; L309-H312 PolarHBondContact O-N 2.93Å; L309-G313 PolarHBondContact O-N 3.37Å; L309-K314 HydrophobicContact CB-CB 4.25Å; L309-K314 HydrophobicContact CD2-CG 4.23Å; L309-K314 WeakPolarHBondContact O-CB 3.23Å; L309-K314 PolarHBondContact O-N 2.82Å; L309-K314 VanDerWaalsContact O-N 3.09Å; L309-M316 HydrophobicContact CB-CE 4.21Å; L309-M316 HydrophobicContact CB-SD 3.81Å; L309-M316 HydrophobicContact CD1-SD 4.1Å; L309-L533 HydrophobicContact CD2-CD1 4.31Å; L309-L533 HydrophobicContact CD2-CD2 4.01Å
310	S	97.3	Very high	97	Very high	51 Å²	51	46.2 Å²	46.2	36%	0.357	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-43.3	177.1	-173.4	0	0	0	0	112	L306 K307 H312 G313	L306-S310 WeakPolarHBondContact O-CB 3.48Å; L306-S310 PolarHBondContact O-N 3.38Å; K307-S310 PolarHBondContact O-N 3.27Å; S310-H312 PolarHBondContact O-N 2.81Å; S310-G313 PolarHBondContact O-N 2.92Å
311	A	97.7	Very high	97.3	Very high	84 Å²	84	41.8 Å²	41.8	69%	0.694	24%	0.236	S	C	*	.	H	α-helix	trans	-63.6	-25.9	179.1	0	0	0	0	0	112.9	K307 K308 L309 G313	K307-A311 VanDerWaalsContact O-CB 3.31Å; K307-A311 WeakPolarHBondContact O-CB 3.33Å; K307-A311 PolarHBondContact O-N 3.28Å; K308-A311 PolarHBondContact O-N 3.44Å; L309-A311 PolarHBondContact O-N 3.27Å; A311-G313 VanDerWaalsContact C-N 3.33Å
312	H	97.8	Very high	97.4	Very high	105 Å²	105	38.5 Å²	38.5	49%	0.486	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	13.2	175	-69.4	79	0	0	0	113.1	K308 L309 S310 K314 L533	K308-H312 PolarHBondContact O-N 3.13Å; K308-H312 PolarHBondContact O-ND1 3.37Å; L309-H312 CarbonylContact O-C 3.56Å; L309-H312 PolarHBondContact O-N 2.93Å; S310-H312 PolarHBondContact O-N 2.81Å; H312-K314 HydrophobicContact CB-CG 4.4Å; H312-K314 PolarHBondContact O-N 2.88Å; H312-L533 HydrophobicContact CB-CD1 3.57Å
313	G	97.2	Very high	97.3	Very high	63 Å²	63	40.1 Å²	40.1	65%	0.649	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	19.5	176.1	0	0	0	0	0	114.5	L309 S310 A311	L309-G313 PolarHBondContact O-N 3.37Å; S310-G313 PolarHBondContact O-N 2.92Å; A311-G313 VanDerWaalsContact C-N 3.33Å
314	K	98.1	Very high	97.2	Very high	39 Å²	39	37.6 Å²	37.6	17%	0.17	22%	0.22	C	C	.	.			trans	-72.2	142	177.3	-59.7	-57.7	-172.8	173.2	0	110.2	I117 Y120 L309 H312 L533	I117-K314 WeakPolarHBondContact O-CE 3.05Å; I117-K314 PolarHBondContact O-NZ 3.36Å; Y120-K314 HydrophobicContact CD2-CB 3.83Å; Y120-K314 HydrophobicContact CD2-CD 4.48Å; Y120-K314 HydrophobicContact CD2-CG 4.13Å; Y120-K314 HydrophobicContact CE2-CB 4Å; Y120-K314 HydrophobicContact CE2-CD 3.87Å; Y120-K314 HydrophobicContact CE2-CG 3.76Å; L309-K314 HydrophobicContact CB-CB 4.25Å; L309-K314 HydrophobicContact CD2-CG 4.23Å; L309-K314 WeakPolarHBondContact O-CB 3.23Å; L309-K314 PolarHBondContact O-N 2.82Å; L309-K314 VanDerWaalsContact O-N 3.09Å; H312-K314 HydrophobicContact CB-CG 4.4Å; H312-K314 PolarHBondContact O-N 2.88Å; K314-L533 HydrophobicContact CG-CD1 4.31Å
315	K	98.4	Very high	96.9	Very high	97 Å²	97	40 Å²	40	42%	0.422	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	141.2	175	-65.9	-64.4	-175.6	-176.1	0	110.1	E118 I119 Y120 D344 W400	E118-K315 PolarHBondContact O-N 3.41Å; E118-K315 VanDerWaalsContact O-N 3.08Å; I119-K315 CarbonylContact C-O 3.53Å; I119-K315 WeakPolarHBondContact CA-O 3.2Å; I119-K315 HydrophobicContact CB-CB 4.37Å; I119-K315 HydrophobicContact CG1-CB 3.99Å; I119-K315 HydrophobicContact CG2-CB 4.16Å; Y120-K315 PolarHBondContact N-O 3.48Å; K315-D344 VanDerWaalsContact CA-OD2 3.26Å; K315-D344 WeakPolarHBondContact CA-OD2 3.37Å; K315-D344 VanDerWaalsContact CD-CG 3.4Å; K315-D344 WeakPolarHBondContact CD-OD1 3.14Å; K315-D344 WeakPolarHBondContact CD-OD2 3.41Å; K315-D344 IonicContact NZ-OD1 3.71Å; K315-D344 PolarHBondContact NZ-OD1 3.1Å; K315-W400 HydrophobicContact CB-CZ2 4.21Å
316	M	98.4	Very high	96.8	Very high	2 Å²	2	40 Å²	40	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.7	-176	-71	-178.4	-81.7	0	0	112.9	Y120 F122 L306 L309 L342 F343 D344 V345	Y120-M316 CarbonylContact O-C 3.45Å; Y120-M316 WeakPolarHBondContact O-CA 3.32Å; F122-M316 HydrophobicContact CE2-CG 4.15Å; F122-M316 HydrophobicContact CE2-SD 4.27Å; L306-M316 HydrophobicContact CD2-SD 3.95Å; L309-M316 HydrophobicContact CB-CE 4.21Å; L309-M316 HydrophobicContact CB-SD 3.81Å; L309-M316 HydrophobicContact CD1-SD 4.1Å; M316-L342 HydrophobicContact CE-CB 4.32Å; M316-L342 WeakPolarHBondContact CE-O 3.43Å; M316-F343 HydrophobicContact CB-CD1 4.02Å; M316-F343 HydrophobicContact CB-CE1 4.46Å; M316-D344 PolarHBondContact N-OD2 3.38Å; M316-D344 WeakPolarHBondContact O-CB 3.4Å; M316-D344 PolarHBondContact O-N 3.3Å; M316-V345 PolarHBondContact O-N 2.94Å
317	F	98.4	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.2	171.9	66.9	-86.9	0	0	0	113.1	I119 Y120 G121 F122 I319 V345 F394 W400 V405 Y407 W425	I119-F317 HydrophobicContact CG2-CD1 3.64Å; I119-F317 HydrophobicContact CG2-CE1 3.64Å; Y120-F317 PolarHBondContact O-N 3.13Å; G121-F317 CarbonylContact C-O 3.43Å; G121-F317 WeakPolarHBondContact CA-O 3.4Å; F122-F317 PolarHBondContact N-O 3.06Å; F317-I319 HydrophobicContact CD2-CD1 3.82Å; F317-I319 HydrophobicContact CD2-CG1 3.73Å; F317-I319 HydrophobicContact CE2-CD1 3.58Å; F317-I319 HydrophobicContact CE2-CG1 3.92Å; F317-V345 CarbonylContact C-O 3.55Å; F317-V345 WeakPolarHBondContact CA-O 3.22Å; F317-V345 HydrophobicContact CB-CB 3.93Å; F317-V345 WeakPolarHBondContact CB-O 3.38Å; F317-F394 HydrophobicContact CB-CZ 4.44Å; F317-F394 HydrophobicContact CD1-CZ 4.1Å; F317-F394 HydrophobicContact CD2-CE2 4.33Å; F317-F394 AromaticContact CD2-CZ 3.86Å; F317-F394 HydrophobicContact CD2-CZ 3.86Å; F317-F394 HydrophobicContact CE1-CZ 4.29Å; F317-F394 HydrophobicContact CE2-CZ 4.09Å; F317-F394 HydrophobicContact CG-CE2 4.45Å; F317-F394 AromaticContact CG-CZ 3.87Å; F317-F394 HydrophobicContact CG-CZ 3.87Å; F317-F394 HydrophobicContact CZ-CE1 4.5Å; F317-F394 HydrophobicContact CZ-CZ 4.29Å; F317-W400 HydrophobicContact CB-CZ3 3.93Å; F317-W400 AromaticContact CD1-CE3 3.88Å; F317-W400 HydrophobicContact CD1-CE3 3.88Å; F317-W400 AromaticContact CD1-CZ3 3.53Å; F317-W400 HydrophobicContact CD1-CZ3 3.53Å; F317-W400 HydrophobicContact CE1-CE3 4.27Å; F317-W400 HydrophobicContact CE1-CZ3 4.36Å; F317-W400 AromaticContact CG-CZ3 3.97Å; F317-W400 HydrophobicContact CG-CZ3 3.97Å; F317-V405 HydrophobicContact CE1-CG1 3.84Å; F317-V405 HydrophobicContact CZ-CG1 4.02Å; F317-Y407 AromaticContact CE2-CD2 3.75Å; F317-Y407 HydrophobicContact CE2-CD2 3.75Å; F317-Y407 AromaticContact CE2-CE2 4Å; F317-Y407 HydrophobicContact CE2-CE2 4Å; F317-Y407 AromaticContact CZ-CD2 3.95Å; F317-Y407 HydrophobicContact CZ-CD2 3.95Å; F317-W425 HydrophobicContact CE1-CH2 4.37Å; F317-W425 HydrophobicContact CE1-CZ3 4.47Å; F317-W425 HydrophobicContact CE2-CH2 4.11Å; F317-W425 HydrophobicContact CE2-CZ3 4.02Å; F317-W425 HydrophobicContact CZ-CE3 4.41Å; F317-W425 AromaticContact CZ-CH2 3.56Å; F317-W425 HydrophobicContact CZ-CH2 3.56Å; F317-W425 AromaticContact CZ-CZ3 3.44Å; F317-W425 HydrophobicContact CZ-CZ3 3.44Å; F317-W425 VanDerWaalsContact CZ-CZ3 3.44Å
318	L	98.4	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130	178.7	-176.8	62.2	0	0	0	109.7	F122 L128 V327 W339 F343 V345 V346 I347	F122-L318 HydrophobicContact CB-CD1 4.22Å; F122-L318 WeakPolarHBondContact O-CD1 3.26Å; L128-L318 HydrophobicContact CD1-CD1 3.85Å; L318-V327 HydrophobicContact CD2-CG1 3.76Å; L318-W339 HydrophobicContact CD2-CH2 4.32Å; L318-W339 HydrophobicContact CD2-CZ3 4.07Å; L318-F343 HydrophobicContact CB-CD1 3.99Å; L318-F343 HydrophobicContact CB-CE1 4.09Å; L318-V345 PolarHBondContact N-O 3.3Å; L318-V346 HydrophobicContact CB-CG1 4.42Å; L318-V346 HydrophobicContact CB-CG2 4.45Å; L318-V346 HydrophobicContact CD2-CG1 4.24Å; L318-I347 PolarHBondContact O-N 3.1Å
319	I	97.8	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.6	173.2	-54.1	-177.2	0	0	0	108.7	F122 D123 F317 I347 A350 K352 F355 F356 Y407	F122-I319 PolarHBondContact O-N 3.13Å; D123-I319 VanDerWaalsContact OD1-O 3.13Å; F317-I319 HydrophobicContact CD2-CD1 3.82Å; F317-I319 HydrophobicContact CD2-CG1 3.73Å; F317-I319 HydrophobicContact CE2-CD1 3.58Å; F317-I319 HydrophobicContact CE2-CG1 3.92Å; I319-I347 WeakPolarHBondContact CA-O 3.39Å; I319-I347 HydrophobicContact CD1-CD1 4.31Å; I319-I347 HydrophobicContact CG1-CB 4.38Å; I319-I347 HydrophobicContact CG1-CD1 4.11Å; I319-A350 HydrophobicContact CG2-CB 3.49Å; I319-A350 VanDerWaalsContact CG2-CB 3.49Å; I319-K352 HydrophobicContact CG2-CD 4.09Å; I319-K352 HydrophobicContact CG2-CG 4.33Å; I319-K352 PolarHBondContact O-NZ 3.24Å; I319-F355 HydrophobicContact CD1-CD1 4.33Å; I319-F355 HydrophobicContact CD1-CE1 3.57Å; I319-F355 HydrophobicContact CD1-CZ 3.91Å; I319-F355 HydrophobicContact CG2-CD1 4.24Å; I319-F355 HydrophobicContact CG2-CE1 4.33Å; I319-F355 HydrophobicContact CG2-CG 4.44Å; I319-F356 HydrophobicContact CD1-CE1 4.41Å; I319-Y407 HydrophobicContact CB-CE2 4.29Å; I319-Y407 HydrophobicContact CD1-CE2 4.5Å; I319-Y407 HydrophobicContact CG1-CE2 4.48Å; I319-Y407 PolarHBondContact O-OH 3.39Å; I319-Y407 VanDerWaalsContact O-OH 3.11Å
320	T	96.9	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.			trans	-133.7	152.2	-177.4	177.3	0	0	0	0	112.2	S322 V327 I347 V348 Q349 A350	T320-S322 VanDerWaalsContact C-N 3.3Å; T320-S322 WeakPolarHBondContact OG1-CB 3.35Å; T320-S322 PolarHBondContact OG1-N 2.84Å; T320-V327 HydrophobicContact CG2-CG2 3.69Å; T320-I347 PolarHBondContact N-O 3.41Å; T320-V348 HydrophobicContact CG2-CB 4.47Å; T320-V348 HydrophobicContact CG2-CG1 4.17Å; T320-V348 CarbonylContact O-C 3.14Å; T320-Q349 PolarHBondContact O-N 2.9Å; T320-A350 WeakPolarHBondContact O-CB 3.15Å; T320-A350 PolarHBondContact O-N 3.41Å
321	N	95.3	Very high	96.1	Very high	67 Å²	67	37.9 Å²	37.9	36%	0.358	21%	0.209	S	C	.	.	S	Bend	trans	-80.4	-14	169.5	-78.2	-10.7	0	0	0	112.8	Q349 D351 K352	N321-Q349 WeakPolarHBondContact O-CA 3.19Å; N321-D351 VanDerWaalsContact OD1-CA 3.28Å; N321-D351 WeakPolarHBondContact OD1-CA 3.28Å; N321-D351 PolarHBondContact OD1-N 2.82Å; N321-K352 PolarHBondContact ND2-O 2.92Å; N321-K352 PolarHBondContact OD1-N 2.62Å
322	S	94.5	Very high	96	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.189	C	C	.	.	S	Bend	trans	-72.8	150.9	-177.4	-75.1	0	0	0	0	112.7	D125 Y285 T320 V348 Q349	D125-S322 PolarHBondContact OD2-OG 2.92Å; Y285-S322 PolarHBondContact OH-OG 2.86Å; T320-S322 VanDerWaalsContact C-N 3.3Å; T320-S322 WeakPolarHBondContact OG1-CB 3.35Å; T320-S322 PolarHBondContact OG1-N 2.84Å; S322-V348 WeakPolarHBondContact O-CB 3.42Å; S322-Q349 PolarHBondContact O-N 2.76Å; S322-Q349 VanDerWaalsContact O-N 3.1Å
323	P	93.6	Very high	95.9	Very high	36 Å²	36	35.6 Å²	35.6	23%	0.234	19%	0.187	C	C	.	.			trans	-63.5	155.3	174.3	-20.3	32.9	0	0	0	112.7	Y285 F326 V327	Y285-P323 HydrophobicContact CD2-CG 3.97Å; Y285-P323 VanDerWaalsContact CE2-CD 3.44Å; Y285-P323 HydrophobicContact CE2-CG 3.76Å; P323-F326 PolarHBondContact O-N 2.72Å; P323-V327 VanDerWaalsContact O-CG2 3.31Å; P323-V327 WeakPolarHBondContact O-CG2 3.31Å; P323-V327 PolarHBondContact O-N 2.7Å
324	F	93.4	Very high	95.8	Very high	8 Å²	8	33 Å²	33	4%	0.035	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-51.7	-179.4	173.2	-121.7	0	0	0	113.6	F326 V327 D328 R340 V348 I385	F324-F326 PolarHBondContact O-N 2.8Å; F324-V327 PolarHBondContact O-N 3.3Å; F324-D328 HydrophobicContact CD2-CB 4.36Å; F324-D328 HydrophobicContact CE2-CB 4.04Å; F324-D328 HydrophobicContact CZ-CB 4.32Å; F324-D328 WeakPolarHBondContact O-CB 3.3Å; F324-D328 PolarHBondContact O-N 3.15Å; F324-R340 VanDerWaalsContact CZ-CZ 3.49Å; F324-V348 HydrophobicContact CB-CG1 4.32Å; F324-V348 HydrophobicContact CB-CG2 4.08Å; F324-V348 HydrophobicContact CD2-CG1 4.46Å; F324-I385 HydrophobicContact CD2-CB 4.43Å; F324-I385 HydrophobicContact CD2-CD1 4.21Å; F324-I385 HydrophobicContact CD2-CG1 4.04Å; F324-I385 HydrophobicContact CD2-CG2 3.71Å; F324-I385 HydrophobicContact CE2-CB 4.28Å; F324-I385 HydrophobicContact CE2-CD1 3.62Å; F324-I385 HydrophobicContact CE2-CG1 3.44Å; F324-I385 VanDerWaalsContact CE2-CG1 3.44Å; F324-I385 HydrophobicContact CE2-CG2 4.05Å; F324-I385 HydrophobicContact CG-CG2 4.22Å; F324-I385 HydrophobicContact CZ-CD1 4.41Å; F324-I385 HydrophobicContact CZ-CG1 3.84Å
325	D	92.5	Very high	95.6	Very high	92 Å²	92	32.4 Å²	32.4	49%	0.492	16%	0.158	S	C	.	.	H	α-helix	trans	-56.7	-38.4	-174.9	-58	-11.5	0	0	0	111.8	R329	D325-R329 WeakPolarHBondContact O-CB 3.22Å; D325-R329 VanDerWaalsContact O-CG 3.31Å; D325-R329 WeakPolarHBondContact O-CG 3.49Å; D325-R329 PolarHBondContact O-N 3.37Å
326	F	94.2	Very high	95.4	Very high	3 Å²	3	29 Å²	29	1%	0.013	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-48.7	176.4	-178.7	-109.3	0	0	0	112.3	Y124 Y131 Y285 V288 E289 P323 F324 D328 R329 G330	Y124-F326 HydrophobicContact CD1-CE1 4.41Å; Y124-F326 AromaticContact CE1-CD1 4Å; Y124-F326 HydrophobicContact CE1-CD1 4Å; Y124-F326 AromaticContact CE1-CE1 3.73Å; Y124-F326 HydrophobicContact CE1-CE1 3.73Å; Y131-F326 HydrophobicContact CE1-CZ 4.35Å; Y131-F326 VanDerWaalsContact OH-CE1 3.29Å; Y131-F326 WeakPolarHBondContact OH-CE1 3.46Å; Y131-F326 VanDerWaalsContact OH-CZ 3.32Å; Y131-F326 WeakPolarHBondContact OH-CZ 3.45Å; Y285-F326 HydrophobicContact CD1-CB 4.21Å; Y285-F326 AromaticContact CD1-CD1 3.49Å; Y285-F326 HydrophobicContact CD1-CD1 3.49Å; Y285-F326 VanDerWaalsContact CD1-CD1 3.49Å; Y285-F326 AromaticContact CD1-CD2 3.57Å; Y285-F326 HydrophobicContact CD1-CD2 3.57Å; Y285-F326 AromaticContact CD1-CE1 3.6Å; Y285-F326 HydrophobicContact CD1-CE1 3.6Å; Y285-F326 AromaticContact CD1-CE2 3.72Å; Y285-F326 HydrophobicContact CD1-CE2 3.72Å; Y285-F326 AromaticContact CD1-CG 3.46Å; Y285-F326 HydrophobicContact CD1-CG 3.46Å; Y285-F326 VanDerWaalsContact CD1-CG 3.46Å; Y285-F326 AromaticContact CD1-CZ 3.72Å; Y285-F326 HydrophobicContact CD1-CZ 3.72Å; Y285-F326 AromaticContact CE1-CD1 3.67Å; Y285-F326 HydrophobicContact CE1-CD1 3.67Å; Y285-F326 AromaticContact CE1-CE1 3.71Å; Y285-F326 HydrophobicContact CE1-CE1 3.71Å; Y285-F326 HydrophobicContact CE1-CG 4.09Å; Y285-F326 HydrophobicContact CE1-CZ 4.22Å; Y285-F326 HydrophobicContact CG-CB 4.37Å; Y285-F326 HydrophobicContact CG-CD1 4.44Å; Y285-F326 HydrophobicContact CG-CD2 4.04Å; Y285-F326 HydrophobicContact CG-CE2 4.47Å; Y285-F326 HydrophobicContact CG-CG 4.02Å; V288-F326 HydrophobicContact CB-CE2 3.87Å; V288-F326 HydrophobicContact CB-CZ 4.44Å; V288-F326 HydrophobicContact CG1-CE2 3.66Å; V288-F326 HydrophobicContact CG1-CZ 4.03Å; E289-F326 HydrophobicContact CG-CD2 3.96Å; E289-F326 VanDerWaalsContact OE1-CA 3.22Å; E289-F326 WeakPolarHBondContact OE1-CA 3.39Å; E289-F326 PolarHBondContact OE1-N 2.95Å; P323-F326 PolarHBondContact O-N 2.72Å; F324-F326 PolarHBondContact O-N 2.8Å; F326-D328 VanDerWaalsContact C-N 3.34Å; F326-D328 PolarHBondContact O-N 2.99Å; F326-R329 PolarHBondContact O-N 3.45Å; F326-G330 PolarHBondContact O-N 3.27Å
327	V	95.2	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-43.3	177.7	174.7	0	0	0	0	110.5	Y124 L318 T320 P323 F324 G330 M331 W339 V348	Y124-V327 HydrophobicContact CD1-CG2 3.95Å; Y124-V327 HydrophobicContact CD2-CG1 4.21Å; Y124-V327 HydrophobicContact CE1-CG2 4.24Å; Y124-V327 HydrophobicContact CE2-CG1 4.37Å; Y124-V327 HydrophobicContact CG-CG1 4.47Å; Y124-V327 HydrophobicContact CG-CG2 4.19Å; L318-V327 HydrophobicContact CD2-CG1 3.76Å; T320-V327 HydrophobicContact CG2-CG2 3.69Å; P323-V327 VanDerWaalsContact O-CG2 3.31Å; P323-V327 WeakPolarHBondContact O-CG2 3.31Å; P323-V327 PolarHBondContact O-N 2.7Å; F324-V327 PolarHBondContact O-N 3.3Å; V327-G330 PolarHBondContact O-N 3.18Å; V327-M331 HydrophobicContact CG1-CG 4.01Å; V327-M331 VanDerWaalsContact O-CB 3.22Å; V327-M331 WeakPolarHBondContact O-CB 3.48Å; V327-M331 VanDerWaalsContact O-CG 3.26Å; V327-M331 WeakPolarHBondContact O-CG 3.4Å; V327-M331 PolarHBondContact O-N 2.98Å; V327-W339 HydrophobicContact CG1-CH2 3.99Å; V327-W339 HydrophobicContact CG1-CZ2 4.33Å; V327-V348 HydrophobicContact CG2-CG1 4.47Å
328	D	94.6	Very high	94.9	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-42.8	-179.6	-168.7	64.6	0	0	0	111.4	F324 F326 S332 W339 R340	F324-D328 HydrophobicContact CD2-CB 4.36Å; F324-D328 HydrophobicContact CE2-CB 4.04Å; F324-D328 HydrophobicContact CZ-CB 4.32Å; F324-D328 WeakPolarHBondContact O-CB 3.3Å; F324-D328 PolarHBondContact O-N 3.15Å; F326-D328 VanDerWaalsContact C-N 3.34Å; F326-D328 PolarHBondContact O-N 2.99Å; D328-S332 WeakPolarHBondContact O-CB 3.43Å; D328-S332 PolarHBondContact O-N 3.5Å; D328-S332 PolarHBondContact O-OG 3.2Å; D328-W339 HydrophobicContact CB-CZ2 4.43Å; D328-W339 PolarHBondContact OD1-NE1 3.18Å; D328-R340 IonicContact OD1-CZ 3.76Å; D328-R340 IonicContact OD1-NE 3.67Å; D328-R340 PolarHBondContact OD1-NE 3Å; D328-R340 IonicContact OD1-NH2 3.96Å; D328-R340 PolarHBondContact OD1-NH2 3.02Å; D328-R340 IonicContact OD2-NH2 3.75Å
329	R	94.3	Very high	94.7	Very high	157 Å²	157	43.4 Å²	43.4	59%	0.592	22%	0.219	S	C	*	.	H	α-helix	trans	-58.8	-51.4	173.2	-83.1	-76.6	-170.3	151.6	2.8	112.1	E289 D325 F326 S332 F333	E289-R329 HydrophobicContact CG-CB 4.32Å; E289-R329 HydrophobicContact CG-CG 4.27Å; D325-R329 WeakPolarHBondContact O-CB 3.22Å; D325-R329 VanDerWaalsContact O-CG 3.31Å; D325-R329 WeakPolarHBondContact O-CG 3.49Å; D325-R329 PolarHBondContact O-N 3.37Å; F326-R329 PolarHBondContact O-N 3.45Å; R329-S332 PolarHBondContact O-N 3.47Å; R329-F333 PolarHBondContact O-N 2.78Å; R329-F333 VanDerWaalsContact O-N 3.11Å
330	G	95.4	Very high	94.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-74.8	-36.3	-176.6	0	0	0	0	0	113.9	Y124 I292 F326 V327 S332 F333 I334	Y124-G330 VanDerWaalsContact OH-CA 3.25Å; Y124-G330 WeakPolarHBondContact OH-CA 3.45Å; I292-G330 VanDerWaalsContact CD1-CA 3.5Å; F326-G330 PolarHBondContact O-N 3.27Å; V327-G330 PolarHBondContact O-N 3.18Å; G330-S332 VanDerWaalsContact C-N 3.32Å; G330-S332 PolarHBondContact O-N 3.09Å; G330-F333 WeakPolarHBondContact O-CB 3.36Å; G330-F333 PolarHBondContact O-N 3.3Å; G330-F333 VanDerWaalsContact O-N 3.16Å; G330-I334 WeakPolarHBondContact O-CB 3.4Å; G330-I334 VanDerWaalsContact O-CG1 3.23Å; G330-I334 WeakPolarHBondContact O-CG1 3.1Å; G330-I334 PolarHBondContact O-N 2.91Å
331	M	96.1	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-34.5	171.6	-70.6	-60	-64.3	0	0	112	Y124 L128 L306 V327 F333 I334 V335 G336 W339 F343	Y124-M331 HydrophobicContact CD2-CG 4.21Å; Y124-M331 HydrophobicContact CD2-SD 4Å; Y124-M331 HydrophobicContact CE2-CG 3.7Å; Y124-M331 HydrophobicContact CE2-SD 3.64Å; L128-M331 HydrophobicContact CD1-SD 4.34Å; L306-M331 HydrophobicContact CD1-CE 4.02Å; V327-M331 HydrophobicContact CG1-CG 4.01Å; V327-M331 VanDerWaalsContact O-CB 3.22Å; V327-M331 WeakPolarHBondContact O-CB 3.48Å; V327-M331 VanDerWaalsContact O-CG 3.26Å; V327-M331 WeakPolarHBondContact O-CG 3.4Å; V327-M331 PolarHBondContact O-N 2.98Å; M331-F333 PolarHBondContact O-N 3.03Å; M331-I334 PolarHBondContact O-N 2.82Å; M331-I334 HydrophobicContact SD-CD1 4.45Å; M331-V335 HydrophobicContact CE-CG2 3.8Å; M331-V335 WeakPolarHBondContact O-CB 3.46Å; M331-V335 PolarHBondContact O-N 3.45Å; M331-G336 PolarHBondContact O-N 2.92Å; M331-W339 HydrophobicContact CB-CB 4.09Å; M331-W339 HydrophobicContact CB-CD2 3.34Å; M331-W339 HydrophobicContact CB-CE3 3.81Å; M331-W339 HydrophobicContact CB-CG 3.47Å; M331-W339 VanDerWaalsContact CB-CG 3.47Å; M331-W339 HydrophobicContact CB-CZ2 4.16Å; M331-W339 HydrophobicContact CB-CZ3 4.38Å; M331-W339 HydrophobicContact CE-CB 4.35Å; M331-W339 HydrophobicContact CE-CD2 4.32Å; M331-W339 HydrophobicContact CE-CE3 3.81Å; M331-W339 HydrophobicContact CE-CZ3 4.47Å; M331-W339 HydrophobicContact CG-CD2 3.94Å; M331-W339 HydrophobicContact CG-CE3 3.89Å; M331-W339 HydrophobicContact CG-CG 4.49Å; M331-W339 HydrophobicContact CG-CH2 4.31Å; M331-W339 HydrophobicContact CG-CZ2 4.39Å; M331-W339 HydrophobicContact CG-CZ3 4.08Å; M331-F343 HydrophobicContact CE-CE2 3.61Å; M331-F343 HydrophobicContact CE-CZ 3.95Å
332	S	95.4	Very high	94.6	Very high	38 Å²	38	48.1 Å²	48.1	27%	0.266	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-32.9	171.2	-66.6	0	0	0	0	112.7	D328 R329 G330 G336	D328-S332 WeakPolarHBondContact O-CB 3.43Å; D328-S332 PolarHBondContact O-N 3.5Å; D328-S332 PolarHBondContact O-OG 3.2Å; R329-S332 PolarHBondContact O-N 3.47Å; G330-S332 VanDerWaalsContact C-N 3.32Å; G330-S332 PolarHBondContact O-N 3.09Å; S332-G336 WeakPolarHBondContact CA-O 3.24Å; S332-G336 WeakPolarHBondContact O-CA 3.07Å; S332-G336 PolarHBondContact O-N 3.31Å; S332-G336 VanDerWaalsContact O-N 3.15Å
333	F	95.2	Very high	94.7	Very high	103 Å²	103	48 Å²	48	45%	0.452	24%	0.24	S	C	.	.	H	α-helix	trans	-74.9	-41.7	174.5	179.4	-100.2	0	0	0	112.6	I292 I296 R329 G330 M331	I292-F333 HydrophobicContact CD1-CB 3.98Å; I292-F333 HydrophobicContact CD1-CG 4.38Å; I292-F333 HydrophobicContact CG1-CD1 4.48Å; I292-F333 HydrophobicContact CG1-CG 4.42Å; I292-F333 HydrophobicContact CG2-CB 4.29Å; I292-F333 HydrophobicContact CG2-CD1 4.38Å; I292-F333 HydrophobicContact CG2-CD2 3.53Å; I292-F333 HydrophobicContact CG2-CE2 3.87Å; I292-F333 HydrophobicContact CG2-CG 3.81Å; I292-F333 HydrophobicContact CG2-CZ 4.43Å; I296-F333 HydrophobicContact CB-CD1 4.4Å; I296-F333 HydrophobicContact CB-CE1 4.34Å; I296-F333 HydrophobicContact CG2-CD1 4.3Å; I296-F333 HydrophobicContact CG2-CE1 4.38Å; R329-F333 PolarHBondContact O-N 2.78Å; R329-F333 VanDerWaalsContact O-N 3.11Å; G330-F333 WeakPolarHBondContact O-CB 3.36Å; G330-F333 PolarHBondContact O-N 3.3Å; G330-F333 VanDerWaalsContact O-N 3.16Å; M331-F333 PolarHBondContact O-N 3.03Å
334	I	95.1	Very high	94.9	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.046	23%	0.234	C	C	.	.	H	α-helix	trans	-72.7	-48.2	-177.6	-68.7	167.8	0	0	0	111.6	A129 I296 G299 H303 G330 M331	A129-I334 HydrophobicContact CB-CD1 3.98Å; I296-I334 HydrophobicContact CG2-CD1 4.2Å; I296-I334 HydrophobicContact CG2-CG1 4.14Å; G299-I334 WeakPolarHBondContact O-CG2 3.5Å; H303-I334 HydrophobicContact CB-CG2 4.49Å; H303-I334 WeakPolarHBondContact CB-O 3.41Å; G330-I334 WeakPolarHBondContact O-CB 3.4Å; G330-I334 VanDerWaalsContact O-CG1 3.23Å; G330-I334 WeakPolarHBondContact O-CG1 3.1Å; G330-I334 PolarHBondContact O-N 2.91Å; M331-I334 PolarHBondContact O-N 2.82Å; M331-I334 HydrophobicContact SD-CD1 4.45Å
335	V	95.3	Very high	95.2	Very high	26 Å²	26	47.2 Å²	47.2	16%	0.158	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-43.9	-170.2	176.9	0	0	0	0	111.8	H303 L306 M331 W339 L342	H303-V335 HydrophobicContact CB-CG2 4.22Å; H303-V335 PolarHBondContact CE1-O 2.97Å; L306-V335 HydrophobicContact CD1-CG2 3.91Å; M331-V335 HydrophobicContact CE-CG2 3.8Å; M331-V335 WeakPolarHBondContact O-CB 3.46Å; M331-V335 PolarHBondContact O-N 3.45Å; V335-W339 HydrophobicContact CB-CB 3.74Å; V335-W339 HydrophobicContact CG1-CB 3.81Å; V335-W339 HydrophobicContact CG2-CB 4.37Å; V335-L342 HydrophobicContact CG1-CD1 3.54Å; V335-L342 HydrophobicContact CG2-CD1 4.34Å
336	G	94.2	Very high	95.4	Very high	26 Å²	26	43 Å²	43	27%	0.268	21%	0.212	S	C	.	.			trans	126.5	174.2	-171.1	0	0	0	0	0	112.2	M331 S332 D338 W339	M331-G336 PolarHBondContact O-N 2.92Å; S332-G336 WeakPolarHBondContact CA-O 3.24Å; S332-G336 WeakPolarHBondContact O-CA 3.07Å; S332-G336 PolarHBondContact O-N 3.31Å; S332-G336 VanDerWaalsContact O-N 3.15Å; G336-D338 PolarHBondContact O-N 3.08Å; G336-D338 VanDerWaalsContact O-N 3.15Å; G336-W339 WeakPolarHBondContact O-CB 3.43Å; G336-W339 PolarHBondContact O-N 3.28Å; G336-W339 VanDerWaalsContact O-N 3.14Å
337	K	92.3	Very high	95.6	Very high	184 Å²	184	42.9 Å²	42.9	80%	0.8	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.2	-173.9	-68	-178.1	178.6	179.7	0	113.8	W339	K337-W339 VanDerWaalsContact C-N 3.28Å; K337-W339 PolarHBondContact O-N 3.02Å
338	D	92.5	Very high	95.6	Very high	120 Å²	120	42.9 Å²	42.9	64%	0.642	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	20.6	-176.3	-49.9	-45.8	0	0	0	112.5	G336 R340 D341	G336-D338 PolarHBondContact O-N 3.08Å; G336-D338 VanDerWaalsContact O-N 3.15Å; D338-R340 PolarHBondContact O-N 3.23Å; D338-D341 WeakPolarHBondContact O-CB 3.42Å; D338-D341 PolarHBondContact O-N 2.83Å
339	W	95.8	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-55	-29.3	-177	71.2	-93.1	0	0	0	113.6	L318 V327 D328 M331 V335 G336 K337 D341 L342 F343 V346	L318-W339 HydrophobicContact CD2-CH2 4.32Å; L318-W339 HydrophobicContact CD2-CZ3 4.07Å; V327-W339 HydrophobicContact CG1-CH2 3.99Å; V327-W339 HydrophobicContact CG1-CZ2 4.33Å; D328-W339 HydrophobicContact CB-CZ2 4.43Å; D328-W339 PolarHBondContact OD1-NE1 3.18Å; M331-W339 HydrophobicContact CB-CB 4.09Å; M331-W339 HydrophobicContact CB-CD2 3.34Å; M331-W339 HydrophobicContact CB-CE3 3.81Å; M331-W339 HydrophobicContact CB-CG 3.47Å; M331-W339 VanDerWaalsContact CB-CG 3.47Å; M331-W339 HydrophobicContact CB-CZ2 4.16Å; M331-W339 HydrophobicContact CB-CZ3 4.38Å; M331-W339 HydrophobicContact CE-CB 4.35Å; M331-W339 HydrophobicContact CE-CD2 4.32Å; M331-W339 HydrophobicContact CE-CE3 3.81Å; M331-W339 HydrophobicContact CE-CZ3 4.47Å; M331-W339 HydrophobicContact CG-CD2 3.94Å; M331-W339 HydrophobicContact CG-CE3 3.89Å; M331-W339 HydrophobicContact CG-CG 4.49Å; M331-W339 HydrophobicContact CG-CH2 4.31Å; M331-W339 HydrophobicContact CG-CZ2 4.39Å; M331-W339 HydrophobicContact CG-CZ3 4.08Å; V335-W339 HydrophobicContact CB-CB 3.74Å; V335-W339 HydrophobicContact CG1-CB 3.81Å; V335-W339 HydrophobicContact CG2-CB 4.37Å; G336-W339 WeakPolarHBondContact O-CB 3.43Å; G336-W339 PolarHBondContact O-N 3.28Å; G336-W339 VanDerWaalsContact O-N 3.14Å; K337-W339 VanDerWaalsContact C-N 3.28Å; K337-W339 PolarHBondContact O-N 3.02Å; W339-D341 PolarHBondContact O-N 2.82Å; W339-L342 WeakPolarHBondContact O-CB 3.31Å; W339-L342 PolarHBondContact O-N 2.85Å; W339-L342 VanDerWaalsContact O-N 3.1Å; W339-F343 AromaticContact CE3-CD2 3.75Å; W339-F343 HydrophobicContact CE3-CD2 3.75Å; W339-F343 AromaticContact CE3-CE2 3.83Å; W339-F343 HydrophobicContact CE3-CE2 3.83Å; W339-F343 AromaticContact CZ3-CD2 3.91Å; W339-F343 HydrophobicContact CZ3-CD2 3.91Å; W339-F343 HydrophobicContact CZ3-CE2 4.16Å; W339-F343 WeakPolarHBondContact O-CD2 3.38Å; W339-V346 HydrophobicContact CH2-CG1 3.99Å; W339-V346 HydrophobicContact CH2-CG2 4.16Å; W339-V346 HydrophobicContact CZ3-CG1 4.44Å; W339-V346 HydrophobicContact CZ3-CG2 3.93Å
340	R	94.5	Very high	95.7	Very high	43 Å²	43	36.9 Å²	36.9	16%	0.162	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.7	-26.7	179.1	-59.6	-176.3	-164.4	167.2	15.9	112.3	F324 D328 D338 L342 F343 D368	F324-R340 VanDerWaalsContact CZ-CZ 3.49Å; D328-R340 IonicContact OD1-CZ 3.76Å; D328-R340 IonicContact OD1-NE 3.67Å; D328-R340 PolarHBondContact OD1-NE 3Å; D328-R340 IonicContact OD1-NH2 3.96Å; D328-R340 PolarHBondContact OD1-NH2 3.02Å; D328-R340 IonicContact OD2-NH2 3.75Å; D338-R340 PolarHBondContact O-N 3.23Å; R340-L342 PolarHBondContact O-N 3.17Å; R340-F343 PolarHBondContact O-N 3.26Å; R340-F343 VanDerWaalsContact O-O 3.1Å; R340-D368 IonicContact CZ-OD1 3.41Å; R340-D368 IonicContact NH1-OD1 2.9Å; R340-D368 PolarHBondContact NH1-OD1 3.16Å; R340-D368 IonicContact NH2-OD1 2.71Å
341	D	95	Very high	95.5	Very high	96 Å²	96	40 Å²	40	51%	0.513	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-67.7	-17	177.8	-68.6	-16.8	0	0	0	112.6	D338 W339 K382	D338-D341 WeakPolarHBondContact O-CB 3.42Å; D338-D341 PolarHBondContact O-N 2.83Å; W339-D341 PolarHBondContact O-N 2.82Å; D341-K382 WeakPolarHBondContact O-CE 3.32Å; D341-K382 PolarHBondContact O-NZ 2.82Å
342	L	96.7	Very high	95.3	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.141	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-78	-23.6	173.8	-59	-178.4	0	0	0	112.3	L306 M316 V335 W339 R340	L306-L342 HydrophobicContact CB-CD1 3.85Å; L306-L342 HydrophobicContact CD1-CD1 4.35Å; M316-L342 HydrophobicContact CE-CB 4.32Å; M316-L342 WeakPolarHBondContact CE-O 3.43Å; V335-L342 HydrophobicContact CG1-CD1 3.54Å; V335-L342 HydrophobicContact CG2-CD1 4.34Å; W339-L342 WeakPolarHBondContact O-CB 3.31Å; W339-L342 PolarHBondContact O-N 2.85Å; W339-L342 VanDerWaalsContact O-N 3.1Å; R340-L342 PolarHBondContact O-N 3.17Å
343	F	97.8	Very high	95.1	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.206	C	C	.	.			trans	-108.6	130.1	-173	-63.3	-89.9	0	0	0	111.4	F122 L128 L306 M316 L318 M331 W339 R340 V346	F122-F343 HydrophobicContact CD2-CE1 4.02Å; L128-F343 HydrophobicContact CD1-CE1 4.43Å; L128-F343 HydrophobicContact CD1-CZ 4Å; L306-F343 HydrophobicContact CD1-CE2 4.25Å; L306-F343 HydrophobicContact CD1-CZ 3.93Å; L306-F343 HydrophobicContact CD2-CE1 4.26Å; L306-F343 HydrophobicContact CD2-CZ 3.82Å; M316-F343 HydrophobicContact CB-CD1 4.02Å; M316-F343 HydrophobicContact CB-CE1 4.46Å; L318-F343 HydrophobicContact CB-CD1 3.99Å; L318-F343 HydrophobicContact CB-CE1 4.09Å; M331-F343 HydrophobicContact CE-CE2 3.61Å; M331-F343 HydrophobicContact CE-CZ 3.95Å; W339-F343 AromaticContact CE3-CD2 3.75Å; W339-F343 HydrophobicContact CE3-CD2 3.75Å; W339-F343 AromaticContact CE3-CE2 3.83Å; W339-F343 HydrophobicContact CE3-CE2 3.83Å; W339-F343 AromaticContact CZ3-CD2 3.91Å; W339-F343 HydrophobicContact CZ3-CD2 3.91Å; W339-F343 HydrophobicContact CZ3-CE2 4.16Å; W339-F343 WeakPolarHBondContact O-CD2 3.38Å; R340-F343 PolarHBondContact O-N 3.26Å; R340-F343 VanDerWaalsContact O-O 3.1Å; F343-V346 HydrophobicContact CB-CG2 3.7Å; F343-V346 HydrophobicContact CG-CG2 4.26Å
344	D	98.1	Very high	94.9	Very high	21 Å²	21	37.3 Å²	37.3	11%	0.112	20%	0.197	C	C	.	.	S	Bend	trans	-74.3	-28.5	172.1	-63.3	-91	0	0	0	111.8	K315 M316 W400	K315-D344 VanDerWaalsContact CA-OD2 3.26Å; K315-D344 WeakPolarHBondContact CA-OD2 3.37Å; K315-D344 VanDerWaalsContact CD-CG 3.4Å; K315-D344 WeakPolarHBondContact CD-OD1 3.14Å; K315-D344 WeakPolarHBondContact CD-OD2 3.41Å; K315-D344 IonicContact NZ-OD1 3.71Å; K315-D344 PolarHBondContact NZ-OD1 3.1Å; M316-D344 PolarHBondContact N-OD2 3.38Å; M316-D344 WeakPolarHBondContact O-CB 3.4Å; M316-D344 PolarHBondContact O-N 3.3Å; D344-W400 HydrophobicContact CB-CH2 3.85Å; D344-W400 HydrophobicContact CB-CZ2 4.26Å
345	V	98.1	Very high	94.7	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132	177	-179.7	0	0	0	0	110.8	M316 F317 L318 I347 L380 F394 T398 W400	M316-V345 PolarHBondContact O-N 2.94Å; F317-V345 CarbonylContact C-O 3.55Å; F317-V345 WeakPolarHBondContact CA-O 3.22Å; F317-V345 HydrophobicContact CB-CB 3.93Å; F317-V345 WeakPolarHBondContact CB-O 3.38Å; L318-V345 PolarHBondContact N-O 3.3Å; V345-I347 HydrophobicContact CG1-CD1 3.9Å; V345-I347 HydrophobicContact CG1-CG1 3.88Å; V345-L380 HydrophobicContact CG1-CB 4.47Å; V345-L380 HydrophobicContact CG1-CD1 3.92Å; V345-L380 HydrophobicContact CG2-CB 3.89Å; V345-L380 HydrophobicContact CG2-CD1 4.13Å; V345-F394 HydrophobicContact CB-CE2 4.39Å; V345-F394 HydrophobicContact CG1-CE2 4.01Å; V345-T398 HydrophobicContact CG2-CG2 4.39Å; V345-W400 HydrophobicContact CG2-CH2 3.96Å; V345-W400 HydrophobicContact CG2-CZ3 4.23Å
346	V	97.9	Very high	94.5	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.3	172.7	178.3	0	0	0	0	110.3	L318 W339 F343 V348 I385 Y386	L318-V346 HydrophobicContact CB-CG1 4.42Å; L318-V346 HydrophobicContact CB-CG2 4.45Å; L318-V346 HydrophobicContact CD2-CG1 4.24Å; W339-V346 HydrophobicContact CH2-CG1 3.99Å; W339-V346 HydrophobicContact CH2-CG2 4.16Å; W339-V346 HydrophobicContact CZ3-CG1 4.44Å; W339-V346 HydrophobicContact CZ3-CG2 3.93Å; F343-V346 HydrophobicContact CB-CG2 3.7Å; F343-V346 HydrophobicContact CG-CG2 4.26Å; V346-V348 HydrophobicContact CG1-CG1 4.25Å; V346-I385 HydrophobicContact CB-CD1 3.77Å; V346-I385 HydrophobicContact CG1-CD1 3.72Å; V346-I385 HydrophobicContact CG2-CD1 4.29Å; V346-Y386 PolarHBondContact O-N 2.93Å
347	I	97.8	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116	179.5	-59	159	0	0	0	109.4	L318 I319 T320 V345 A350 F355 F363 Y386 Q388 F394	L318-I347 PolarHBondContact O-N 3.1Å; I319-I347 WeakPolarHBondContact CA-O 3.39Å; I319-I347 HydrophobicContact CD1-CD1 4.31Å; I319-I347 HydrophobicContact CG1-CB 4.38Å; I319-I347 HydrophobicContact CG1-CD1 4.11Å; T320-I347 PolarHBondContact N-O 3.41Å; V345-I347 HydrophobicContact CG1-CD1 3.9Å; V345-I347 HydrophobicContact CG1-CG1 3.88Å; I347-A350 HydrophobicContact CG2-CB 4.03Å; I347-F355 HydrophobicContact CD1-CE2 4.23Å; I347-F355 HydrophobicContact CD1-CZ 3.98Å; I347-F355 HydrophobicContact CG2-CE2 4.17Å; I347-F363 HydrophobicContact CD1-CE1 3.57Å; I347-F363 HydrophobicContact CD1-CZ 3.96Å; I347-F363 HydrophobicContact CG1-CE1 3.83Å; I347-F363 HydrophobicContact CG2-CE1 4.16Å; I347-Y386 CarbonylContact C-O 3.59Å; I347-Y386 VanDerWaalsContact CA-O 3.28Å; I347-Y386 WeakPolarHBondContact CA-O 3.38Å; I347-Q388 VanDerWaalsContact CG2-O 3.27Å; I347-Q388 WeakPolarHBondContact CG2-O 3.33Å; I347-F394 HydrophobicContact CD1-CD2 3.72Å; I347-F394 HydrophobicContact CD1-CE2 3.94Å
348	V	96.3	Very high	93.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	158.2	178.3	-60.4	0	0	0	0	111	T320 S322 F324 V327 V346 A350 I385 Y386 K387 Q388	T320-V348 HydrophobicContact CG2-CB 4.47Å; T320-V348 HydrophobicContact CG2-CG1 4.17Å; T320-V348 CarbonylContact O-C 3.14Å; S322-V348 WeakPolarHBondContact O-CB 3.42Å; F324-V348 HydrophobicContact CB-CG1 4.32Å; F324-V348 HydrophobicContact CB-CG2 4.08Å; F324-V348 HydrophobicContact CD2-CG1 4.46Å; V327-V348 HydrophobicContact CG2-CG1 4.47Å; V346-V348 HydrophobicContact CG1-CG1 4.25Å; V348-A350 PolarHBondContact O-N 3.18Å; V348-A350 VanDerWaalsContact O-N 3.11Å; V348-I385 HydrophobicContact CG1-CG2 4.27Å; V348-I385 HydrophobicContact CG2-CG2 4.01Å; V348-Y386 WeakPolarHBondContact CG2-O 3.29Å; V348-Y386 PolarHBondContact N-O 2.71Å; V348-K387 HydrophobicContact CG2-CB 4.34Å; V348-K387 HydrophobicContact CG2-CG 4.4Å; V348-K387 VanDerWaalsContact O-CA 3.3Å; V348-K387 WeakPolarHBondContact O-CA 3.43Å; V348-Q388 PolarHBondContact O-N 3.49Å
349	Q	94.8	Very high	93.7	Very high	69 Å²	69	31.2 Å²	31.2	32%	0.322	15%	0.154	S	C	.	.	S	Bend	trans	43	47.2	-176.6	-50.3	-175.9	-91.7	0	0	112.4	T320 N321 S322 D351 K387	T320-Q349 PolarHBondContact O-N 2.9Å; N321-Q349 WeakPolarHBondContact O-CA 3.19Å; S322-Q349 PolarHBondContact O-N 2.76Å; S322-Q349 VanDerWaalsContact O-N 3.1Å; Q349-D351 PolarHBondContact O-N 2.65Å; Q349-K387 HydrophobicContact CB-CG 3.96Å
350	A	95	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.			trans	-64.2	-25.1	-175.1	0	0	0	0	0	112.7	I319 T320 I347 V348 K352 F355	I319-A350 HydrophobicContact CG2-CB 3.49Å; I319-A350 VanDerWaalsContact CG2-CB 3.49Å; T320-A350 WeakPolarHBondContact O-CB 3.15Å; T320-A350 PolarHBondContact O-N 3.41Å; I347-A350 HydrophobicContact CG2-CB 4.03Å; V348-A350 PolarHBondContact O-N 3.18Å; V348-A350 VanDerWaalsContact O-N 3.11Å; A350-K352 HydrophobicContact CB-CG 4.23Å; A350-F355 HydrophobicContact CB-CB 4.21Å; A350-F355 HydrophobicContact CB-CD2 3.92Å; A350-F355 HydrophobicContact CB-CG 4.14Å; A350-F355 WeakPolarHBondContact O-CB 2.96Å
351	D	92.1	Very high	93.3	Very high	67 Å²	67	42.2 Å²	42.2	36%	0.358	20%	0.197	S	C	.	.			trans	63.7	47.5	-174.4	-166.8	50.3	0	0	0	112.2	N321 Q349 S354 F355 K361	N321-D351 VanDerWaalsContact OD1-CA 3.28Å; N321-D351 WeakPolarHBondContact OD1-CA 3.28Å; N321-D351 PolarHBondContact OD1-N 2.82Å; Q349-D351 PolarHBondContact O-N 2.65Å; D351-S354 CarbonylContact O-C 3.29Å; D351-S354 VanDerWaalsContact O-CA 3.31Å; D351-S354 WeakPolarHBondContact O-CA 3.45Å; D351-S354 VanDerWaalsContact O-CB 3.24Å; D351-S354 WeakPolarHBondContact O-CB 3.38Å; D351-S354 PolarHBondContact O-N 3.47Å; D351-F355 PolarHBondContact O-N 3.32Å; D351-K361 IonicContact OD2-NZ 2.75Å; D351-K361 PolarHBondContact OD2-NZ 2.99Å
352	K	92.3	Very high	93.3	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.048	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	138.7	168.6	-61	-179.1	-70.1	167.1	0	109.7	D123 I319 N321 A350 F355 F356 Y407 D415	D123-K352 IonicContact OD1-NZ 3.11Å; D123-K352 PolarHBondContact OD1-NZ 2.76Å; D123-K352 IonicContact OD2-NZ 2.67Å; D123-K352 PolarHBondContact OD2-NZ 3.19Å; I319-K352 HydrophobicContact CG2-CD 4.09Å; I319-K352 HydrophobicContact CG2-CG 4.33Å; I319-K352 PolarHBondContact O-NZ 3.24Å; N321-K352 PolarHBondContact ND2-O 2.92Å; N321-K352 PolarHBondContact OD1-N 2.62Å; A350-K352 HydrophobicContact CB-CG 4.23Å; K352-F355 HydrophobicContact CG-CB 4.17Å; K352-F356 HydrophobicContact CB-CE2 4.23Å; K352-F356 HydrophobicContact CD-CE2 3.52Å; K352-F356 HydrophobicContact CD-CZ 3.89Å; K352-F356 HydrophobicContact CG-CD2 4.26Å; K352-F356 HydrophobicContact CG-CE2 3.64Å; K352-F356 HydrophobicContact CG-CZ 4.22Å; K352-Y407 PolarHBondContact NZ-OH 2.94Å; K352-D415 WeakPolarHBondContact CD-OD1 3.43Å; K352-D415 WeakPolarHBondContact CE-OD1 3.43Å; K352-D415 IonicContact NZ-OD1 3.16Å; K352-D415 PolarHBondContact NZ-OD1 3.15Å; K352-D415 IonicContact NZ-OD2 2.72Å
353	P	89.8	Confident	93.2	Very high	36 Å²	36	40.2 Å²	40.2	23%	0.234	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-8.5	5.3	28.8	-32.8	0	0	0	115.5	Y224 F355 F356 N357	Y224-P353 HydrophobicContact CD1-CB 4.39Å; Y224-P353 HydrophobicContact CD1-CG 3.84Å; Y224-P353 HydrophobicContact CE1-CB 4.05Å; Y224-P353 HydrophobicContact CE1-CG 4.01Å; P353-F355 PolarHBondContact O-N 2.6Å; P353-F356 PolarHBondContact O-N 3.28Å; P353-N357 PolarHBondContact O-N 2.93Å; P353-N357 VanDerWaalsContact O-N 3.16Å; P353-N357 PolarHBondContact O-ND2 3.19Å
354	S	90.8	Very high	93.1	Very high	37 Å²	37	43.5 Å²	43.5	26%	0.259	20%	0.203	S	C	.	.	H	α-helix	trans	-59.3	-30.3	-177.6	-68.3	0	0	0	0	112.7	D351 F356 N357 D358	D351-S354 CarbonylContact O-C 3.29Å; D351-S354 VanDerWaalsContact O-CA 3.31Å; D351-S354 WeakPolarHBondContact O-CA 3.45Å; D351-S354 VanDerWaalsContact O-CB 3.24Å; D351-S354 WeakPolarHBondContact O-CB 3.38Å; D351-S354 PolarHBondContact O-N 3.47Å; S354-F356 PolarHBondContact O-N 3.15Å; S354-N357 WeakPolarHBondContact CA-OD1 3.37Å; S354-N357 PolarHBondContact O-N 3.15Å; S354-D358 WeakPolarHBondContact O-CA 2.76Å; S354-D358 WeakPolarHBondContact O-CB 3.45Å; S354-D358 PolarHBondContact O-N 3.1Å
355	F	92.8	Very high	92.9	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-50.8	-41.7	169	-174.8	-92.1	0	0	0	113.2	I319 I347 A350 D351 K352 P353 F363 G389 N390 L391 F394	I319-F355 HydrophobicContact CD1-CD1 4.33Å; I319-F355 HydrophobicContact CD1-CE1 3.57Å; I319-F355 HydrophobicContact CD1-CZ 3.91Å; I319-F355 HydrophobicContact CG2-CD1 4.24Å; I319-F355 HydrophobicContact CG2-CE1 4.33Å; I319-F355 HydrophobicContact CG2-CG 4.44Å; I347-F355 HydrophobicContact CD1-CE2 4.23Å; I347-F355 HydrophobicContact CD1-CZ 3.98Å; I347-F355 HydrophobicContact CG2-CE2 4.17Å; A350-F355 HydrophobicContact CB-CB 4.21Å; A350-F355 HydrophobicContact CB-CD2 3.92Å; A350-F355 HydrophobicContact CB-CG 4.14Å; A350-F355 WeakPolarHBondContact O-CB 2.96Å; D351-F355 PolarHBondContact O-N 3.32Å; K352-F355 HydrophobicContact CG-CB 4.17Å; P353-F355 PolarHBondContact O-N 2.6Å; F355-F363 AromaticContact CE2-CE1 3.95Å; F355-F363 HydrophobicContact CE2-CE1 3.95Å; F355-F363 AromaticContact CE2-CZ 3.94Å; F355-F363 HydrophobicContact CE2-CZ 3.94Å; F355-F363 HydrophobicContact CZ-CE1 4.46Å; F355-F363 HydrophobicContact CZ-CZ 4.14Å; F355-G389 WeakPolarHBondContact CD2-O 3.45Å; F355-N390 CarbonylContact O-C 3.52Å; F355-N390 WeakPolarHBondContact O-CA 3.3Å; F355-L391 HydrophobicContact CD1-CB 4.39Å; F355-L391 HydrophobicContact CE1-CB 4.09Å; F355-L391 HydrophobicContact CE1-CD1 4.44Å; F355-L391 PolarHBondContact O-N 3.43Å; F355-F394 HydrophobicContact CZ-CB 4.29Å
356	F	89.9	Confident	92.6	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-87.8	-31.9	-175.4	-58.8	-60.3	0	0	0	113.5	I319 K352 P353 S354 L391 Y407 S414 D418 L419	I319-F356 HydrophobicContact CD1-CE1 4.41Å; K352-F356 HydrophobicContact CB-CE2 4.23Å; K352-F356 HydrophobicContact CD-CE2 3.52Å; K352-F356 HydrophobicContact CD-CZ 3.89Å; K352-F356 HydrophobicContact CG-CD2 4.26Å; K352-F356 HydrophobicContact CG-CE2 3.64Å; K352-F356 HydrophobicContact CG-CZ 4.22Å; P353-F356 PolarHBondContact O-N 3.28Å; S354-F356 PolarHBondContact O-N 3.15Å; F356-L391 HydrophobicContact CD1-CB 4.29Å; F356-L391 HydrophobicContact CD1-CD2 4.03Å; F356-Y407 HydrophobicContact CZ-CE1 4.07Å; F356-S414 WeakPolarHBondContact CD2-O 3.45Å; F356-S414 WeakPolarHBondContact CE2-O 3.31Å; F356-D418 HydrophobicContact CB-CB 3.91Å; F356-L419 HydrophobicContact CD1-CD2 3.55Å; F356-L419 HydrophobicContact CD1-CG 4.15Å; F356-L419 HydrophobicContact CE1-CD1 4.16Å; F356-L419 HydrophobicContact CE1-CD2 3.71Å; F356-L419 HydrophobicContact CE1-CG 4.15Å; F356-L419 HydrophobicContact CG-CD2 4.29Å; F356-L419 HydrophobicContact CZ-CD1 4.28Å
357	N	86.1	Confident	92.2	Very high	54 Å²	54	47.4 Å²	47.4	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-110.7	-6.6	-173.4	64.7	40.6	0	0	0	115.9	Y224 P353 S354 D418	Y224-N357 WeakPolarHBondContact CE1-ND2 3.2Å; Y224-N357 PolarHBondContact OH-ND2 3.44Å; P353-N357 PolarHBondContact O-N 2.93Å; P353-N357 VanDerWaalsContact O-N 3.16Å; P353-N357 PolarHBondContact O-ND2 3.19Å; S354-N357 WeakPolarHBondContact CA-OD1 3.37Å; S354-N357 PolarHBondContact O-N 3.15Å; N357-D418 WeakPolarHBondContact CB-OD2 3.49Å; N357-D418 PolarHBondContact ND2-OD2 3.38Å; N357-D418 VanDerWaalsContact ND2-OD2 3.08Å
358	D	87.4	Confident	91.5	Very high	22 Å²	22	53.1 Å²	53.1	12%	0.118	25%	0.251	C	S	.	.			trans	-110.9	154.2	177.2	-159.9	-22.3	0	0	0	110.5	S354 R360 N390	S354-D358 WeakPolarHBondContact O-CA 2.76Å; S354-D358 WeakPolarHBondContact O-CB 3.45Å; S354-D358 PolarHBondContact O-N 3.1Å; D358-R360 VanDerWaalsContact CG-NE 3.34Å; D358-R360 WeakPolarHBondContact OD1-CB 3.4Å; D358-R360 WeakPolarHBondContact OD1-CG 3.48Å; D358-R360 PolarHBondContact OD1-N 3.12Å; D358-R360 IonicContact OD1-NE 3.85Å; D358-R360 PolarHBondContact OD1-NE 3.23Å; D358-R360 IonicContact OD2-CZ 3.12Å; D358-R360 IonicContact OD2-NE 3.4Å; D358-R360 PolarHBondContact OD2-NE 3.01Å; D358-R360 IonicContact OD2-NH2 2.73Å; D358-R360 PolarHBondContact OD2-NH2 3.06Å; D358-N390 VanDerWaalsContact O-CB 3.27Å; D358-N390 WeakPolarHBondContact O-CB 3.29Å
359	R	89.4	Confident	90.7	Very high	159 Å²	159	61.9 Å²	61.9	60%	0.6	29%	0.289	S	S	*	.			trans	-114.7	-2.3	176.2	-64.5	-173.6	-173	176	7.6	113.3	Y392	R359-Y392 HydrophobicContact CG-CD2 3.34Å; R359-Y392 HydrophobicContact CG-CE2 3.75Å; R359-Y392 HydrophobicContact CG-CG 3.83Å; R359-Y392 VanDerWaalsContact CZ-CZ 3.43Å; R359-Y392 VanDerWaalsContact NE-CD2 3.34Å; R359-Y392 VanDerWaalsContact NE-CE1 3.33Å; R359-Y392 PolarHBondContact NH2-OH 3.14Å
360	R	90.2	Very high	90	Very high	203 Å²	203	60 Å²	60	77%	0.766	29%	0.289	S	S	*	.			trans	-78.2	-26.8	-166.8	-70.8	177.7	-65.8	173.1	1.8	114.7	D358 P362	D358-R360 VanDerWaalsContact CG-NE 3.34Å; D358-R360 WeakPolarHBondContact OD1-CB 3.4Å; D358-R360 WeakPolarHBondContact OD1-CG 3.48Å; D358-R360 PolarHBondContact OD1-N 3.12Å; D358-R360 IonicContact OD1-NE 3.85Å; D358-R360 PolarHBondContact OD1-NE 3.23Å; D358-R360 IonicContact OD2-CZ 3.12Å; D358-R360 IonicContact OD2-NE 3.4Å; D358-R360 PolarHBondContact OD2-NE 3.01Å; D358-R360 IonicContact OD2-NH2 2.73Å; D358-R360 PolarHBondContact OD2-NH2 3.06Å; R360-P362 WeakPolarHBondContact O-CD 3.46Å
361	K	91.9	Very high	89.6	Confident	72 Å²	72	64.1 Å²	64.1	31%	0.313	31%	0.313	S	S	.	.			trans	-96	114.1	-172.1	-64.8	-176.9	-179.7	-177.9	0	110.8	D351 Q388 G389 N390	D351-K361 IonicContact OD2-NZ 2.75Å; D351-K361 PolarHBondContact OD2-NZ 2.99Å; K361-Q388 HydrophobicContact CB-CB 4.5Å; K361-G389 CarbonylContact O-C 3.57Å; K361-G389 WeakPolarHBondContact O-CA 3.22Å; K361-N390 PolarHBondContact O-ND2 3.26Å
362	P	93.3	Very high	89.5	Confident	73 Å²	73	63.6 Å²	63.6	47%	0.474	31%	0.31	S	S	.	.			trans	-78.1	162.5	174.3	32.9	-34.9	0	0	0	111.6	R360 G389 E393	R360-P362 WeakPolarHBondContact O-CD 3.46Å; P362-G389 PolarHBondContact O-N 3.28Å; P362-E393 WeakPolarHBondContact CA-OE2 3.4Å
363	F	95.9	Very high	89.4	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	146.9	172.1	-71.9	-74.3	0	0	0	112.3	I347 F355 I377 Q388 E393 F394 L397	I347-F363 HydrophobicContact CD1-CE1 3.57Å; I347-F363 HydrophobicContact CD1-CZ 3.96Å; I347-F363 HydrophobicContact CG1-CE1 3.83Å; I347-F363 HydrophobicContact CG2-CE1 4.16Å; F355-F363 AromaticContact CE2-CE1 3.95Å; F355-F363 HydrophobicContact CE2-CE1 3.95Å; F355-F363 AromaticContact CE2-CZ 3.94Å; F355-F363 HydrophobicContact CE2-CZ 3.94Å; F355-F363 HydrophobicContact CZ-CE1 4.46Å; F355-F363 HydrophobicContact CZ-CZ 4.14Å; F363-I377 HydrophobicContact CB-CB 4.04Å; F363-I377 HydrophobicContact CB-CG1 3.76Å; F363-I377 HydrophobicContact CB-CG2 4.32Å; F363-Q388 WeakPolarHBondContact CE1-O 3.42Å; F363-E393 HydrophobicContact CD2-CB 4.09Å; F363-E393 HydrophobicContact CE2-CB 3.79Å; F363-F394 HydrophobicContact CE2-CB 4.36Å; F363-F394 HydrophobicContact CZ-CB 4.06Å; F363-F394 HydrophobicContact CZ-CD2 4.44Å; F363-L397 HydrophobicContact CD2-CD1 4.05Å; F363-L397 HydrophobicContact CE2-CD1 4.25Å
364	R	94.6	Very high	89.3	Confident	69 Å²	69	73.7 Å²	73.7	26%	0.26	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.5	170.5	-66.4	-90.2	-89.6	-149.7	-3.5	108.8	Y386 K387	R364-Y386 CarbonylContact O-C 3.58Å; R364-Y386 WeakPolarHBondContact O-CA 3.23Å; R364-K387 PolarHBondContact N-O 2.81Å; R364-K387 PolarHBondContact O-N 2.89Å
365	R	95.1	Very high	89.3	Confident	64 Å²	64	76.1 Å²	76.1	24%	0.242	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.4	174.6	-176.7	168.1	57.6	156.6	1.3	110.2	L373 D375 I377 E384 Y386	R365-L373 HydrophobicContact CB-CB 4.32Å; R365-L373 HydrophobicContact CB-CD1 4.37Å; R365-L373 HydrophobicContact CG-CD1 4.03Å; R365-L373 VanDerWaalsContact NE-CD1 3.32Å; R365-L373 PolarHBondContact O-N 2.68Å; R365-D375 IonicContact CZ-OD2 3.73Å; R365-D375 IonicContact NH2-OD2 2.72Å; R365-D375 PolarHBondContact NH2-OD2 3.1Å; R365-I377 HydrophobicContact CB-CD1 3.83Å; R365-E384 VanDerWaalsContact CD-OE2 3.25Å; R365-E384 WeakPolarHBondContact CD-OE2 3.42Å; R365-E384 IonicContact NH1-OE2 3.93Å; R365-Y386 HydrophobicContact CB-CD1 4.48Å; R365-Y386 HydrophobicContact CB-CE1 4.37Å
366	V	91.8	Very high	89.2	Confident	6 Å²	6	85 Å²	85	4%	0.036	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.3	-179.4	-165.7	0	0	0	0	108.4	V371 L372 I385 K387	V366-V371 WeakPolarHBondContact CA-O 3.26Å; V366-L372 HydrophobicContact CG2-CD2 3.89Å; V366-I385 HydrophobicContact CB-CB 4.19Å; V366-I385 HydrophobicContact CB-CG2 4.06Å; V366-I385 HydrophobicContact CG2-CG2 4.24Å; V366-I385 PolarHBondContact N-O 3.29Å; V366-K387 HydrophobicContact CG2-CB 3.62Å
367	T	88.9	Confident	89.5	Confident	42 Å²	42	85.7 Å²	85.7	26%	0.258	39%	0.394	S	S	.	.			trans	-72	166.1	171.3	65.7	0	0	0	0	111.3	K369 G370 V371 L373	T367-K369 PolarHBondContact O-N 2.96Å; T367-K369 PolarHBondContact OG1-N 2.98Å; T367-G370 PolarHBondContact O-N 2.87Å; T367-V371 HydrophobicContact CG2-CB 4.34Å; T367-V371 PolarHBondContact N-O 3.44Å; T367-V371 WeakPolarHBondContact OG1-CB 3.18Å; T367-V371 PolarHBondContact OG1-N 3.27Å; T367-V371 VanDerWaalsContact OG1-N 3.09Å; T367-V371 PolarHBondContact OG1-O 2.9Å; T367-L373 HydrophobicContact CG2-CD1 4.02Å; T367-L373 HydrophobicContact CG2-CD2 3.68Å; T367-L373 HydrophobicContact CG2-CG 3.84Å
368	D	82.9	Confident	89.8	Confident	120 Å²	120	89.5 Å²	89.5	64%	0.642	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.9	172.9	-63.1	-42.3	0	0	0	114.4	R340 G370	R340-D368 IonicContact CZ-OD1 3.41Å; R340-D368 IonicContact NH1-OD1 2.9Å; R340-D368 PolarHBondContact NH1-OD1 3.16Å; R340-D368 IonicContact NH2-OD1 2.71Å; D368-G370 VanDerWaalsContact C-N 3.34Å
369	K	79.9	Confident	90.2	Very high	185 Å²	185	96.5 Å²	96.5	80%	0.804	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	12.5	177.1	-60.5	-176	-179.2	179.8	0	113	T367 V371	T367-K369 PolarHBondContact O-N 2.96Å; T367-K369 PolarHBondContact OG1-N 2.98Å; K369-V371 HydrophobicContact CB-CG2 4.31Å; K369-V371 PolarHBondContact O-N 2.97Å
370	G	78.8	Confident	90.5	Very high	31 Å²	31	90.1 Å²	90.1	32%	0.32	41%	0.412	S	S	.	.	S	Bend	trans	74.8	1.9	-178.1	0	0	0	0	0	115	T367 D368	T367-G370 PolarHBondContact O-N 2.87Å; D368-G370 VanDerWaalsContact C-N 3.34Å
371	V	87.3	Confident	90.7	Very high	85 Å²	85	83.6 Å²	83.6	52%	0.515	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-75.6	134.6	-178.8	-175.2	0	0	0	0	110.9	V366 T367 K369	V366-V371 WeakPolarHBondContact CA-O 3.26Å; T367-V371 HydrophobicContact CG2-CB 4.34Å; T367-V371 PolarHBondContact N-O 3.44Å; T367-V371 WeakPolarHBondContact OG1-CB 3.18Å; T367-V371 PolarHBondContact OG1-N 3.27Å; T367-V371 VanDerWaalsContact OG1-N 3.09Å; T367-V371 PolarHBondContact OG1-O 2.9Å; K369-V371 HydrophobicContact CB-CG2 4.31Å; K369-V371 PolarHBondContact O-N 2.97Å
372	L	89.9	Confident	90.8	Very high	56 Å²	56	85.7 Å²	85.7	29%	0.293	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-81.5	129.5	177.6	-58.6	-179	0	0	0	111.6	V366 K387	V366-L372 HydrophobicContact CG2-CD2 3.89Å; L372-K387 HydrophobicContact CD1-CD 4.44Å; L372-K387 HydrophobicContact CD2-CB 4.31Å; L372-K387 HydrophobicContact CD2-CD 3.65Å
373	L	90.1	Very high	90.7	Very high	48 Å²	48	83.7 Å²	83.7	25%	0.251	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-89.1	151	172.6	-59.1	-179.9	0	0	0	111.1	R365 T367	R365-L373 HydrophobicContact CB-CB 4.32Å; R365-L373 HydrophobicContact CB-CD1 4.37Å; R365-L373 HydrophobicContact CG-CD1 4.03Å; R365-L373 VanDerWaalsContact NE-CD1 3.32Å; R365-L373 PolarHBondContact O-N 2.68Å; T367-L373 HydrophobicContact CG2-CD1 4.02Å; T367-L373 HydrophobicContact CG2-CD2 3.68Å; T367-L373 HydrophobicContact CG2-CG 3.84Å
374	W	88.4	Confident	90.5	Very high	212 Å²	212	86.3 Å²	86.3	80%	0.803	41%	0.405	S	S	*	.			trans	-89.5	-13.7	-176.6	-64.5	97.6	0	0	0	113.6
375	D	89.8	Confident	90.6	Very high	87 Å²	87	83.2 Å²	83.2	47%	0.465	39%	0.393	S	S	.	.	S	Bend	trans	-58.7	138.7	-176.5	-51	-44.8	0	0	0	111.1	R365	R365-D375 IonicContact CZ-OD2 3.73Å; R365-D375 IonicContact NH2-OD2 2.72Å; R365-D375 PolarHBondContact NH2-OD2 3.1Å
376	R	92.3	Very high	90.7	Very high	187 Å²	187	80.3 Å²	80.3	71%	0.706	38%	0.383	S	S	*	.			trans	-70.3	134.4	172.1	-172.3	176.3	-169.1	-180	4.8	109.6	H378	R376-H378 PolarHBondContact O-CD2 3.23Å; R376-H378 PolarHBondContact O-N 3.33Å
377	I	95.4	Very high	90.8	Very high	17 Å²	17	82.1 Å²	82.1	9%	0.087	39%	0.39	C	S	.	.			trans	-83.5	109.3	-179.5	-51.5	-48	0	0	0	110.2	F363 R365 R379 L380 Y386 L397	F363-I377 HydrophobicContact CB-CB 4.04Å; F363-I377 HydrophobicContact CB-CG1 3.76Å; F363-I377 HydrophobicContact CB-CG2 4.32Å; R365-I377 HydrophobicContact CB-CD1 3.83Å; I377-R379 WeakPolarHBondContact CG2-O 3.09Å; I377-L380 HydrophobicContact CG2-CD2 3.82Å; I377-Y386 HydrophobicContact CD1-CD1 4.38Å; I377-Y386 HydrophobicContact CD1-CE1 4.03Å; I377-Y386 HydrophobicContact CG1-CD1 4.29Å; I377-Y386 HydrophobicContact CG1-CE1 4.23Å; I377-Y386 HydrophobicContact CG2-CD1 4.26Å; I377-Y386 HydrophobicContact CG2-CE1 3.77Å; I377-L397 HydrophobicContact CG2-CD1 4.25Å
378	H	93.1	Very high	91	Very high	133 Å²	133	83.2 Å²	83.2	62%	0.616	39%	0.392	S	S	*	.	S	Bend	trans	-98	-20.7	178	-68.7	-78.8	0	0	0	113.5	R376 L397	R376-H378 PolarHBondContact O-CD2 3.23Å; R376-H378 PolarHBondContact O-N 3.33Å; H378-L397 WeakPolarHBondContact O-CD2 3.11Å
379	R	94.8	Very high	91.6	Very high	169 Å²	169	77.5 Å²	77.5	64%	0.638	36%	0.362	S	S	*	.	S	Bend	trans	-152.6	154	175.2	62.1	-174.1	-175.6	-140.6	-2.1	109.3	I377 E381 Y386	I377-R379 WeakPolarHBondContact CG2-O 3.09Å; R379-E381 HydrophobicContact CG-CG 4.03Å; R379-E381 IonicContact CZ-OE1 3.57Å; R379-E381 IonicContact NE-OE1 3.41Å; R379-E381 PolarHBondContact NE-OE1 3.09Å; R379-E381 IonicContact NH2-OE1 2.9Å; R379-E381 PolarHBondContact NH2-OE1 2.85Å; R379-Y386 PolarHBondContact O-OH 3.29Å
380	L	95.9	Very high	92.2	Very high	26 Å²	26	69 Å²	69	14%	0.136	33%	0.325	C	S	.	.			trans	-96.6	123.1	172	-59	174.1	0	0	0	107.8	V345 I377 Y386 F394 L397 T398	V345-L380 HydrophobicContact CG1-CB 4.47Å; V345-L380 HydrophobicContact CG1-CD1 3.92Å; V345-L380 HydrophobicContact CG2-CB 3.89Å; V345-L380 HydrophobicContact CG2-CD1 4.13Å; I377-L380 HydrophobicContact CG2-CD2 3.82Å; L380-Y386 WeakPolarHBondContact CA-OH 3.2Å; L380-Y386 HydrophobicContact CB-CE2 4.15Å; L380-Y386 HydrophobicContact CD2-CD1 3.82Å; L380-Y386 HydrophobicContact CD2-CD2 3.79Å; L380-Y386 HydrophobicContact CD2-CE1 3.73Å; L380-Y386 HydrophobicContact CD2-CE2 3.7Å; L380-Y386 HydrophobicContact CD2-CG 3.85Å; L380-F394 HydrophobicContact CD1-CD2 3.91Å; L380-F394 HydrophobicContact CD1-CE2 4.33Å; L380-L397 HydrophobicContact CD1-CB 4.21Å; L380-L397 HydrophobicContact CD1-CD1 4.35Å; L380-L397 HydrophobicContact CD2-CD1 4.17Å; L380-L397 HydrophobicContact CG-CB 4.15Å; L380-L397 HydrophobicContact CG-CD1 3.99Å; L380-T398 HydrophobicContact CD1-CG2 3.82Å
381	E	93.9	Very high	92.9	Very high	65 Å²	65	67.5 Å²	67.5	30%	0.304	31%	0.31	S	S	.	.			trans	-107.5	141.5	-175.1	-62.7	-178.6	178.5	0	0	110.1	R379 E384 Y386	R379-E381 HydrophobicContact CG-CG 4.03Å; R379-E381 IonicContact CZ-OE1 3.57Å; R379-E381 IonicContact NE-OE1 3.41Å; R379-E381 PolarHBondContact NE-OE1 3.09Å; R379-E381 IonicContact NH2-OE1 2.9Å; R379-E381 PolarHBondContact NH2-OE1 2.85Å; E381-E384 HydrophobicContact CB-CB 4.39Å; E381-E384 HydrophobicContact CB-CG 3.85Å; E381-E384 WeakPolarHBondContact O-CB 3.43Å; E381-E384 PolarHBondContact O-N 2.99Å; E381-Y386 PolarHBondContact N-OH 2.79Å
382	K	95.1	Very high	93.1	Very high	116 Å²	116	67.5 Å²	67.5	50%	0.504	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	138.4	176.3	-179	168.7	-177	178.2	0	110.2	D341 E384	D341-K382 WeakPolarHBondContact O-CE 3.32Å; D341-K382 PolarHBondContact O-NZ 2.82Å; K382-E384 PolarHBondContact O-N 2.8Å
383	G	90.2	Very high	93.3	Very high	32 Å²	32	66.9 Å²	66.9	33%	0.33	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-19.4	-177.1	0	0	0	0	0	114.2
384	E	93.4	Very high	93.6	Very high	63 Å²	63	64.6 Å²	64.6	29%	0.294	29%	0.285	S	S	.	.			trans	-83.1	149.9	176.4	-63.4	-65.4	150.9	0	0	111.8	R365 E381 K382 Y386	R365-E384 VanDerWaalsContact CD-OE2 3.25Å; R365-E384 WeakPolarHBondContact CD-OE2 3.42Å; R365-E384 IonicContact NH1-OE2 3.93Å; E381-E384 HydrophobicContact CB-CB 4.39Å; E381-E384 HydrophobicContact CB-CG 3.85Å; E381-E384 WeakPolarHBondContact O-CB 3.43Å; E381-E384 PolarHBondContact O-N 2.99Å; K382-E384 PolarHBondContact O-N 2.8Å; E384-Y386 HydrophobicContact CB-CE2 3.88Å
385	I	95.5	Very high	93.8	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.3	-179.6	-53.1	-64.4	0	0	0	109.5	F324 V346 V348 V366	F324-I385 HydrophobicContact CD2-CB 4.43Å; F324-I385 HydrophobicContact CD2-CD1 4.21Å; F324-I385 HydrophobicContact CD2-CG1 4.04Å; F324-I385 HydrophobicContact CD2-CG2 3.71Å; F324-I385 HydrophobicContact CE2-CB 4.28Å; F324-I385 HydrophobicContact CE2-CD1 3.62Å; F324-I385 HydrophobicContact CE2-CG1 3.44Å; F324-I385 VanDerWaalsContact CE2-CG1 3.44Å; F324-I385 HydrophobicContact CE2-CG2 4.05Å; F324-I385 HydrophobicContact CG-CG2 4.22Å; F324-I385 HydrophobicContact CZ-CD1 4.41Å; F324-I385 HydrophobicContact CZ-CG1 3.84Å; V346-I385 HydrophobicContact CB-CD1 3.77Å; V346-I385 HydrophobicContact CG1-CD1 3.72Å; V346-I385 HydrophobicContact CG2-CD1 4.29Å; V348-I385 HydrophobicContact CG1-CG2 4.27Å; V348-I385 HydrophobicContact CG2-CG2 4.01Å; V366-I385 HydrophobicContact CB-CB 4.19Å; V366-I385 HydrophobicContact CB-CG2 4.06Å; V366-I385 HydrophobicContact CG2-CG2 4.24Å; V366-I385 PolarHBondContact N-O 3.29Å
386	Y	96.9	Very high	94	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.1	178.7	-59.8	-82	0	0	0	110.9	V346 I347 V348 R364 R365 I377 R379 L380 E381 E384	V346-Y386 PolarHBondContact O-N 2.93Å; I347-Y386 CarbonylContact C-O 3.59Å; I347-Y386 VanDerWaalsContact CA-O 3.28Å; I347-Y386 WeakPolarHBondContact CA-O 3.38Å; V348-Y386 WeakPolarHBondContact CG2-O 3.29Å; V348-Y386 PolarHBondContact N-O 2.71Å; R364-Y386 CarbonylContact O-C 3.58Å; R364-Y386 WeakPolarHBondContact O-CA 3.23Å; R365-Y386 HydrophobicContact CB-CD1 4.48Å; R365-Y386 HydrophobicContact CB-CE1 4.37Å; I377-Y386 HydrophobicContact CD1-CD1 4.38Å; I377-Y386 HydrophobicContact CD1-CE1 4.03Å; I377-Y386 HydrophobicContact CG1-CD1 4.29Å; I377-Y386 HydrophobicContact CG1-CE1 4.23Å; I377-Y386 HydrophobicContact CG2-CD1 4.26Å; I377-Y386 HydrophobicContact CG2-CE1 3.77Å; R379-Y386 PolarHBondContact O-OH 3.29Å; L380-Y386 WeakPolarHBondContact CA-OH 3.2Å; L380-Y386 HydrophobicContact CB-CE2 4.15Å; L380-Y386 HydrophobicContact CD2-CD1 3.82Å; L380-Y386 HydrophobicContact CD2-CD2 3.79Å; L380-Y386 HydrophobicContact CD2-CE1 3.73Å; L380-Y386 HydrophobicContact CD2-CE2 3.7Å; L380-Y386 HydrophobicContact CD2-CG 3.85Å; E381-Y386 PolarHBondContact N-OH 2.79Å; E384-Y386 HydrophobicContact CB-CE2 3.88Å
387	K	94.8	Very high	94.1	Very high	44 Å²	44	50.4 Å²	50.4	19%	0.191	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.7	175.2	-166.2	-173.8	166.7	152.8	0	110.1	V348 Q349 R364 V366 L372 G389	V348-K387 HydrophobicContact CG2-CB 4.34Å; V348-K387 HydrophobicContact CG2-CG 4.4Å; V348-K387 VanDerWaalsContact O-CA 3.3Å; V348-K387 WeakPolarHBondContact O-CA 3.43Å; Q349-K387 HydrophobicContact CB-CG 3.96Å; R364-K387 PolarHBondContact N-O 2.81Å; R364-K387 PolarHBondContact O-N 2.89Å; V366-K387 HydrophobicContact CG2-CB 3.62Å; L372-K387 HydrophobicContact CD1-CD 4.44Å; L372-K387 HydrophobicContact CD2-CB 4.31Å; L372-K387 HydrophobicContact CD2-CD 3.65Å; K387-G389 PolarHBondContact O-N 3.21Å
388	Q	93.4	Very high	94.2	Very high	64 Å²	64	51 Å²	51	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	-130.5	-178.4	-59.6	175.6	-27.2	0	0	111.4	I347 V348 K361 F363	I347-Q388 VanDerWaalsContact CG2-O 3.27Å; I347-Q388 WeakPolarHBondContact CG2-O 3.33Å; V348-Q388 PolarHBondContact O-N 3.49Å; K361-Q388 HydrophobicContact CB-CB 4.5Å; F363-Q388 WeakPolarHBondContact CE1-O 3.42Å
389	G	93.9	Very high	94.2	Very high	1 Å²	1	47 Å²	47	1%	0.01	23%	0.227	C	C	.	.			trans	81.7	-171.7	-170	0	0	0	0	0	113.7	F355 K361 P362 K387	F355-G389 WeakPolarHBondContact CD2-O 3.45Å; K361-G389 CarbonylContact O-C 3.57Å; K361-G389 WeakPolarHBondContact O-CA 3.22Å; P362-G389 PolarHBondContact O-N 3.28Å; K387-G389 PolarHBondContact O-N 3.21Å
390	N	94.4	Very high	94.2	Very high	5 Å²	5	41 Å²	41	3%	0.027	20%	0.204	C	C	.	.			trans	-152.4	157.1	177.9	63.1	86.9	0	0	0	110.3	F355 D358 K361 Y392 E393 F394	F355-N390 CarbonylContact O-C 3.52Å; F355-N390 WeakPolarHBondContact O-CA 3.3Å; D358-N390 VanDerWaalsContact O-CB 3.27Å; D358-N390 WeakPolarHBondContact O-CB 3.29Å; K361-N390 PolarHBondContact O-ND2 3.26Å; N390-Y392 VanDerWaalsContact C-N 3.25Å; N390-Y392 PolarHBondContact O-N 3.09Å; N390-Y392 WeakPolarHBondContact OD1-CA 3.49Å; N390-Y392 VanDerWaalsContact OD1-CB 3.31Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.28Å; N390-Y392 PolarHBondContact OD1-N 3.04Å; N390-Y392 VanDerWaalsContact OD1-N 3.15Å; N390-E393 PolarHBondContact O-N 3.3Å; N390-E393 PolarHBondContact OD1-N 3.15Å; N390-F394 PolarHBondContact O-N 3.15Å
391	L	93.1	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-35.1	-178.2	-178	63.2	0	0	0	112	F355 F356 E393 F394 L395 L419 H423 W425	F355-L391 HydrophobicContact CD1-CB 4.39Å; F355-L391 HydrophobicContact CE1-CB 4.09Å; F355-L391 HydrophobicContact CE1-CD1 4.44Å; F355-L391 PolarHBondContact O-N 3.43Å; F356-L391 HydrophobicContact CD1-CB 4.29Å; F356-L391 HydrophobicContact CD1-CD2 4.03Å; L391-E393 PolarHBondContact O-N 3.23Å; L391-F394 HydrophobicContact CD1-CD1 4.07Å; L391-F394 WeakPolarHBondContact O-CB 3.45Å; L391-F394 PolarHBondContact O-N 3.27Å; L391-L395 HydrophobicContact CD1-CD1 4.32Å; L391-L395 HydrophobicContact CD1-CD2 4.06Å; L391-L395 HydrophobicContact CD1-CG 3.92Å; L391-L395 HydrophobicContact CD2-CD1 4.48Å; L391-L395 HydrophobicContact CG-CD1 3.95Å; L391-L395 HydrophobicContact CG-CG 4.03Å; L391-L395 WeakPolarHBondContact O-CB 3.33Å; L391-L395 WeakPolarHBondContact O-CG 3.49Å; L391-L395 PolarHBondContact O-N 3.46Å; L391-L419 HydrophobicContact CD2-CD2 3.76Å; L391-H423 HydrophobicContact CD2-CB 4.24Å; L391-H423 WeakPolarHBondContact CD2-CD2 3.48Å; L391-H423 VanDerWaalsContact CD2-CG 3.44Å; L391-H423 WeakPolarHBondContact CD2-NE2 3.46Å; L391-W425 HydrophobicContact CD1-CH2 3.72Å; L391-W425 HydrophobicContact CD1-CZ2 3.8Å; L391-W425 HydrophobicContact CD1-CZ3 4.42Å
392	Y	91.3	Very high	93.6	Very high	86 Å²	86	45.3 Å²	45.3	34%	0.337	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-45	179.7	-75.9	-89.3	0	0	0	112.7	R359 N390 R396 H423	R359-Y392 HydrophobicContact CG-CD2 3.34Å; R359-Y392 HydrophobicContact CG-CE2 3.75Å; R359-Y392 HydrophobicContact CG-CG 3.83Å; R359-Y392 VanDerWaalsContact CZ-CZ 3.43Å; R359-Y392 VanDerWaalsContact NE-CD2 3.34Å; R359-Y392 VanDerWaalsContact NE-CE1 3.33Å; R359-Y392 PolarHBondContact NH2-OH 3.14Å; N390-Y392 VanDerWaalsContact C-N 3.25Å; N390-Y392 PolarHBondContact O-N 3.09Å; N390-Y392 WeakPolarHBondContact OD1-CA 3.49Å; N390-Y392 VanDerWaalsContact OD1-CB 3.31Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.28Å; N390-Y392 PolarHBondContact OD1-N 3.04Å; N390-Y392 VanDerWaalsContact OD1-N 3.15Å; Y392-R396 WeakPolarHBondContact O-CB 2.99Å; Y392-R396 PolarHBondContact O-N 3.2Å; Y392-R396 VanDerWaalsContact O-N 3.13Å; Y392-H423 AromaticContact CZ-CE1 3.99Å
393	E	94.1	Very high	93.4	Very high	42 Å²	42	43.2 Å²	43.2	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-39.6	172.5	-74.9	-159.2	130.5	0	0	111.7	P362 F363 N390 L391 L395 R396 L397	P362-E393 WeakPolarHBondContact CA-OE2 3.4Å; F363-E393 HydrophobicContact CD2-CB 4.09Å; F363-E393 HydrophobicContact CE2-CB 3.79Å; N390-E393 PolarHBondContact O-N 3.3Å; N390-E393 PolarHBondContact OD1-N 3.15Å; L391-E393 PolarHBondContact O-N 3.23Å; E393-L395 PolarHBondContact O-N 2.91Å; E393-R396 WeakPolarHBondContact O-CB 3.21Å; E393-R396 PolarHBondContact O-N 3.03Å; E393-R396 VanDerWaalsContact O-N 3.1Å; E393-R396 IonicContact OE1-NH2 3.34Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 VanDerWaalsContact O-CG 3.22Å; E393-L397 WeakPolarHBondContact O-CG 3.38Å; E393-L397 PolarHBondContact O-N 3.38Å
394	F	95.3	Very high	93.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.9	-53.5	175.6	-179.2	-93.9	0	0	0	111.1	F317 V345 I347 F355 F363 L380 N390 L391 R396 L397 T398 W400 W425	F317-F394 HydrophobicContact CB-CZ 4.44Å; F317-F394 HydrophobicContact CD1-CZ 4.1Å; F317-F394 HydrophobicContact CD2-CE2 4.33Å; F317-F394 AromaticContact CD2-CZ 3.86Å; F317-F394 HydrophobicContact CD2-CZ 3.86Å; F317-F394 HydrophobicContact CE1-CZ 4.29Å; F317-F394 HydrophobicContact CE2-CZ 4.09Å; F317-F394 HydrophobicContact CG-CE2 4.45Å; F317-F394 AromaticContact CG-CZ 3.87Å; F317-F394 HydrophobicContact CG-CZ 3.87Å; F317-F394 HydrophobicContact CZ-CE1 4.5Å; F317-F394 HydrophobicContact CZ-CZ 4.29Å; V345-F394 HydrophobicContact CB-CE2 4.39Å; V345-F394 HydrophobicContact CG1-CE2 4.01Å; I347-F394 HydrophobicContact CD1-CD2 3.72Å; I347-F394 HydrophobicContact CD1-CE2 3.94Å; F355-F394 HydrophobicContact CZ-CB 4.29Å; F363-F394 HydrophobicContact CE2-CB 4.36Å; F363-F394 HydrophobicContact CZ-CB 4.06Å; F363-F394 HydrophobicContact CZ-CD2 4.44Å; L380-F394 HydrophobicContact CD1-CD2 3.91Å; L380-F394 HydrophobicContact CD1-CE2 4.33Å; N390-F394 PolarHBondContact O-N 3.15Å; L391-F394 HydrophobicContact CD1-CD1 4.07Å; L391-F394 WeakPolarHBondContact O-CB 3.45Å; L391-F394 PolarHBondContact O-N 3.27Å; F394-R396 PolarHBondContact O-N 3.27Å; F394-L397 PolarHBondContact O-N 2.92Å; F394-L397 VanDerWaalsContact O-N 3.15Å; F394-T398 HydrophobicContact CD2-CG2 4.19Å; F394-T398 HydrophobicContact CE1-CG2 4.33Å; F394-T398 HydrophobicContact CE2-CG2 4.01Å; F394-T398 HydrophobicContact CG-CG2 4.46Å; F394-T398 HydrophobicContact CZ-CG2 4.09Å; F394-T398 WeakPolarHBondContact O-CG2 3.11Å; F394-T398 PolarHBondContact O-N 3.07Å; F394-T398 PolarHBondContact O-OG1 3.01Å; F394-W400 AromaticContact CE1-CE3 3.91Å; F394-W400 HydrophobicContact CE1-CE3 3.91Å; F394-W400 HydrophobicContact CE1-CZ3 4.48Å; F394-W400 HydrophobicContact CE2-CZ3 4.42Å; F394-W400 AromaticContact CZ-CE3 3.58Å; F394-W400 HydrophobicContact CZ-CE3 3.58Å; F394-W400 AromaticContact CZ-CZ3 3.71Å; F394-W400 HydrophobicContact CZ-CZ3 3.71Å; F394-W425 HydrophobicContact CD1-CH2 4.06Å; F394-W425 HydrophobicContact CD1-CZ2 4.18Å; F394-W425 AromaticContact CE1-CH2 3.62Å; F394-W425 HydrophobicContact CE1-CH2 3.62Å; F394-W425 AromaticContact CE1-CZ2 3.89Å; F394-W425 HydrophobicContact CE1-CZ2 3.89Å
395	L	93.4	Very high	93.8	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-26.8	178.3	-62.9	174.6	0	0	0	113.2	L391 E393 G399 W400 R401 W425	L391-L395 HydrophobicContact CD1-CD1 4.32Å; L391-L395 HydrophobicContact CD1-CD2 4.06Å; L391-L395 HydrophobicContact CD1-CG 3.92Å; L391-L395 HydrophobicContact CD2-CD1 4.48Å; L391-L395 HydrophobicContact CG-CD1 3.95Å; L391-L395 HydrophobicContact CG-CG 4.03Å; L391-L395 WeakPolarHBondContact O-CB 3.33Å; L391-L395 WeakPolarHBondContact O-CG 3.49Å; L391-L395 PolarHBondContact O-N 3.46Å; E393-L395 PolarHBondContact O-N 2.91Å; L395-G399 WeakPolarHBondContact O-CA 3.45Å; L395-G399 PolarHBondContact O-N 3.28Å; L395-W400 WeakPolarHBondContact CD2-O 3.41Å; L395-R401 HydrophobicContact CD2-CG 4.2Å; L395-R401 PolarHBondContact O-NE 3.19Å; L395-R401 PolarHBondContact O-NH2 2.91Å; L395-W425 HydrophobicContact CD2-CZ2 3.55Å
396	R	93.7	Very high	93.9	Very high	138 Å²	138	43.1 Å²	43.1	52%	0.521	21%	0.213	S	C	.	.	H	α-helix	trans	-76.8	-40.4	175.6	-174.9	-175.1	68.1	78.4	-0.8	111.3	Y392 E393 F394	Y392-R396 WeakPolarHBondContact O-CB 2.99Å; Y392-R396 PolarHBondContact O-N 3.2Å; Y392-R396 VanDerWaalsContact O-N 3.13Å; E393-R396 WeakPolarHBondContact O-CB 3.21Å; E393-R396 PolarHBondContact O-N 3.03Å; E393-R396 VanDerWaalsContact O-N 3.1Å; E393-R396 IonicContact OE1-NH2 3.34Å; F394-R396 PolarHBondContact O-N 3.27Å
397	L	95.8	Very high	94	Very high	33 Å²	33	42.9 Å²	42.9	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-80.5	-35.6	-175.2	-68.3	174.1	0	0	0	112.4	F363 I377 H378 L380 E393 F394	F363-L397 HydrophobicContact CD2-CD1 4.05Å; F363-L397 HydrophobicContact CE2-CD1 4.25Å; I377-L397 HydrophobicContact CG2-CD1 4.25Å; H378-L397 WeakPolarHBondContact O-CD2 3.11Å; L380-L397 HydrophobicContact CD1-CB 4.21Å; L380-L397 HydrophobicContact CD1-CD1 4.35Å; L380-L397 HydrophobicContact CD2-CD1 4.17Å; L380-L397 HydrophobicContact CG-CB 4.15Å; L380-L397 HydrophobicContact CG-CD1 3.99Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 VanDerWaalsContact O-CG 3.22Å; E393-L397 WeakPolarHBondContact O-CG 3.38Å; E393-L397 PolarHBondContact O-N 3.38Å; F394-L397 PolarHBondContact O-N 2.92Å; F394-L397 VanDerWaalsContact O-N 3.15Å
398	T	95.6	Very high	94.1	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.184	20%	0.204	C	C	.	.	H	α-helix	trans	-94.8	-29	-178.5	64.9	0	0	0	0	113.3	V345 L380 F394 W400	V345-T398 HydrophobicContact CG2-CG2 4.39Å; L380-T398 HydrophobicContact CD1-CG2 3.82Å; F394-T398 HydrophobicContact CD2-CG2 4.19Å; F394-T398 HydrophobicContact CE1-CG2 4.33Å; F394-T398 HydrophobicContact CE2-CG2 4.01Å; F394-T398 HydrophobicContact CG-CG2 4.46Å; F394-T398 HydrophobicContact CZ-CG2 4.09Å; F394-T398 WeakPolarHBondContact O-CG2 3.11Å; F394-T398 PolarHBondContact O-N 3.07Å; F394-T398 PolarHBondContact O-OG1 3.01Å; T398-W400 HydrophobicContact CG2-CD2 4.16Å; T398-W400 HydrophobicContact CG2-CE3 4.04Å; T398-W400 HydrophobicContact CG2-CZ3 4.21Å; T398-W400 PolarHBondContact O-N 2.73Å; T398-W400 PolarHBondContact OG1-N 2.75Å
399	G	94.1	Very high	94.3	Very high	48 Å²	48	37.8 Å²	37.8	50%	0.495	19%	0.189	S	C	.	.			trans	71.4	3.1	-170.1	0	0	0	0	0	114.4	L395 R401	L395-G399 WeakPolarHBondContact O-CA 3.45Å; L395-G399 PolarHBondContact O-N 3.28Å; G399-R401 PolarHBondContact O-N 3.04Å
400	W	94.3	Very high	94.4	Very high	42 Å²	42	38 Å²	38	16%	0.159	19%	0.19	C	C	.	.			trans	-75.7	112.8	-178.6	-57.9	-16.9	0	0	0	110.6	I119 K315 F317 D344 V345 F394 L395 T398 V405	I119-W400 HydrophobicContact CD1-CB 4.27Å; I119-W400 HydrophobicContact CD1-CG 4.16Å; I119-W400 HydrophobicContact CG1-CB 4.41Å; I119-W400 HydrophobicContact CG1-CD2 4.05Å; I119-W400 HydrophobicContact CG1-CG 3.95Å; I119-W400 HydrophobicContact CG2-CD2 3.8Å; I119-W400 HydrophobicContact CG2-CE3 3.52Å; I119-W400 HydrophobicContact CG2-CG 4.36Å; I119-W400 HydrophobicContact CG2-CH2 4.42Å; I119-W400 HydrophobicContact CG2-CZ3 3.87Å; K315-W400 HydrophobicContact CB-CZ2 4.21Å; F317-W400 HydrophobicContact CB-CZ3 3.93Å; F317-W400 AromaticContact CD1-CE3 3.88Å; F317-W400 HydrophobicContact CD1-CE3 3.88Å; F317-W400 AromaticContact CD1-CZ3 3.53Å; F317-W400 HydrophobicContact CD1-CZ3 3.53Å; F317-W400 HydrophobicContact CE1-CE3 4.27Å; F317-W400 HydrophobicContact CE1-CZ3 4.36Å; F317-W400 AromaticContact CG-CZ3 3.97Å; F317-W400 HydrophobicContact CG-CZ3 3.97Å; D344-W400 HydrophobicContact CB-CH2 3.85Å; D344-W400 HydrophobicContact CB-CZ2 4.26Å; V345-W400 HydrophobicContact CG2-CH2 3.96Å; V345-W400 HydrophobicContact CG2-CZ3 4.23Å; F394-W400 AromaticContact CE1-CE3 3.91Å; F394-W400 HydrophobicContact CE1-CE3 3.91Å; F394-W400 HydrophobicContact CE1-CZ3 4.48Å; F394-W400 HydrophobicContact CE2-CZ3 4.42Å; F394-W400 AromaticContact CZ-CE3 3.58Å; F394-W400 HydrophobicContact CZ-CE3 3.58Å; F394-W400 AromaticContact CZ-CZ3 3.71Å; F394-W400 HydrophobicContact CZ-CZ3 3.71Å; L395-W400 WeakPolarHBondContact CD2-O 3.41Å; T398-W400 HydrophobicContact CG2-CD2 4.16Å; T398-W400 HydrophobicContact CG2-CE3 4.04Å; T398-W400 HydrophobicContact CG2-CZ3 4.21Å; T398-W400 PolarHBondContact O-N 2.73Å; T398-W400 PolarHBondContact OG1-N 2.75Å; W400-V405 HydrophobicContact CB-CG2 4.03Å
401	R	89.4	Confident	94.3	Very high	156 Å²	156	39.2 Å²	39.2	59%	0.589	20%	0.196	S	C	*	.			trans	-141.6	157.2	-171.9	-65.3	-178.7	-176.5	170.6	2.9	112.4	L395 G399	L395-R401 HydrophobicContact CD2-CG 4.2Å; L395-R401 PolarHBondContact O-NE 3.19Å; L395-R401 PolarHBondContact O-NH2 2.91Å; G399-R401 PolarHBondContact O-N 3.04Å
402	G	88.5	Confident	94	Very high	26 Å²	26	39.2 Å²	39.2	27%	0.268	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	68.6	-155	170.7	0	0	0	0	0	113.8	K404 V405 G424	G402-K404 PolarHBondContact O-N 3.17Å; G402-K404 VanDerWaalsContact O-N 3.1Å; G402-V405 PolarHBondContact O-N 3.4Å; G402-G424 CarbonylContact C-O 3.6Å
403	S	91.3	Very high	93.6	Very high	72 Å²	72	35.8 Å²	35.8	50%	0.503	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-70.5	-4.2	-170.7	54.6	0	0	0	0	115.2	I117 V405 G424 R426	I117-S403 VanDerWaalsContact CD1-O 3.26Å; I117-S403 WeakPolarHBondContact CD1-O 3.49Å; S403-V405 VanDerWaalsContact C-N 3.25Å; S403-G424 PolarHBondContact N-O 3.17Å; S403-R426 VanDerWaalsContact O-CG 3.31Å; S403-R426 WeakPolarHBondContact O-CG 3.46Å
404	K	94.9	Very high	93	Very high	96 Å²	96	34.6 Å²	34.6	42%	0.417	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-77	-13.4	175.3	-64.1	-177.6	169	-149	0	113.3	E118 I119 G402	E118-K404 HydrophobicContact CB-CB 4.5Å; E118-K404 PolarHBondContact N-O 3.49Å; E118-K404 WeakPolarHBondContact OE1-CE 3.4Å; E118-K404 IonicContact OE1-NZ 3.73Å; E118-K404 PolarHBondContact OE1-NZ 2.9Å; E118-K404 IonicContact OE2-NZ 2.86Å; E118-K404 PolarHBondContact OE2-NZ 2.9Å; I119-K404 HydrophobicContact CD1-CB 4.22Å; I119-K404 PolarHBondContact N-O 3.38Å; I119-K404 VanDerWaalsContact N-O 3.1Å; G402-K404 PolarHBondContact O-N 3.17Å; G402-K404 VanDerWaalsContact O-N 3.1Å
405	V	96.9	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.5	179.9	-171.2	0	0	0	0	109.2	I119 F317 W400 G402 S403 W425 R426	I119-V405 HydrophobicContact CB-CG1 4.45Å; I119-V405 HydrophobicContact CB-CG2 4.26Å; I119-V405 HydrophobicContact CD1-CG2 4.13Å; I119-V405 HydrophobicContact CG2-CG1 4.46Å; I119-V405 WeakPolarHBondContact O-CA 3.43Å; F317-V405 HydrophobicContact CE1-CG1 3.84Å; F317-V405 HydrophobicContact CZ-CG1 4.02Å; W400-V405 HydrophobicContact CB-CG2 4.03Å; G402-V405 PolarHBondContact O-N 3.4Å; S403-V405 VanDerWaalsContact C-N 3.25Å; V405-W425 HydrophobicContact CB-CD2 3.82Å; V405-W425 HydrophobicContact CB-CE3 4.34Å; V405-W425 HydrophobicContact CB-CG 3.89Å; V405-W425 HydrophobicContact CB-CZ2 4.48Å; V405-W425 HydrophobicContact CG1-CD2 3.56Å; V405-W425 HydrophobicContact CG1-CE3 3.59Å; V405-W425 HydrophobicContact CG1-CG 4.14Å; V405-W425 HydrophobicContact CG1-CH2 4.04Å; V405-W425 HydrophobicContact CG1-CZ2 3.96Å; V405-W425 HydrophobicContact CG1-CZ3 3.87Å; V405-W425 HydrophobicContact CG2-CD2 4.43Å; V405-W425 HydrophobicContact CG2-CZ2 4.37Å; V405-R426 WeakPolarHBondContact O-CB 3.28Å; V405-R426 PolarHBondContact O-N 2.95Å
406	L	97.8	Very high	92.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.2	170.7	177.2	55.5	0	0	0	109.3	M112 L114 I117 I119 Y120 G121 F408 R426 I520	M112-L406 HydrophobicContact CE-CD1 3.9Å; M112-L406 HydrophobicContact SD-CD1 4.07Å; M112-L406 HydrophobicContact SD-CD2 4.02Å; L114-L406 HydrophobicContact CD2-CD2 4.26Å; I117-L406 HydrophobicContact CD1-CB 4.27Å; I117-L406 HydrophobicContact CG1-CB 4.32Å; I117-L406 HydrophobicContact CG1-CD2 4.46Å; I117-L406 HydrophobicContact CG2-CB 3.55Å; I119-L406 PolarHBondContact O-N 3.19Å; Y120-L406 WeakPolarHBondContact CA-O 3.33Å; Y120-L406 HydrophobicContact CE1-CD2 4.12Å; G121-L406 PolarHBondContact N-O 3.1Å; L406-F408 HydrophobicContact CD1-CZ 4.43Å; L406-F408 HydrophobicContact CD2-CE1 4.3Å; L406-F408 HydrophobicContact CD2-CE2 3.67Å; L406-F408 HydrophobicContact CD2-CZ 3.4Å; L406-F408 VanDerWaalsContact CD2-CZ 3.4Å; L406-F408 HydrophobicContact CG-CD2 4.35Å; L406-F408 HydrophobicContact CG-CE1 4.46Å; L406-F408 HydrophobicContact CG-CE2 3.67Å; L406-F408 HydrophobicContact CG-CZ 3.76Å; L406-R426 WeakPolarHBondContact CA-O 3.44Å; L406-R426 HydrophobicContact CB-CB 4.34Å; L406-R426 HydrophobicContact CD1-CB 3.79Å; L406-I520 HydrophobicContact CD2-CD1 4.41Å
407	Y	97.8	Very high	91.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.3	176.3	-172.6	-104.9	0	0	0	111.2	G121 F317 I319 K352 F356 D415 L416 L419 W425 R426 T427 G428	G121-Y407 CarbonylContact O-C 3.47Å; G121-Y407 WeakPolarHBondContact O-CA 3.41Å; F317-Y407 AromaticContact CE2-CD2 3.75Å; F317-Y407 HydrophobicContact CE2-CD2 3.75Å; F317-Y407 AromaticContact CE2-CE2 4Å; F317-Y407 HydrophobicContact CE2-CE2 4Å; F317-Y407 AromaticContact CZ-CD2 3.95Å; F317-Y407 HydrophobicContact CZ-CD2 3.95Å; I319-Y407 HydrophobicContact CB-CE2 4.29Å; I319-Y407 HydrophobicContact CD1-CE2 4.5Å; I319-Y407 HydrophobicContact CG1-CE2 4.48Å; I319-Y407 PolarHBondContact O-OH 3.39Å; I319-Y407 VanDerWaalsContact O-OH 3.11Å; K352-Y407 PolarHBondContact NZ-OH 2.94Å; F356-Y407 HydrophobicContact CZ-CE1 4.07Å; Y407-D415 HydrophobicContact CE1-CB 3.89Å; Y407-L416 HydrophobicContact CD1-CD2 4.07Å; Y407-L419 HydrophobicContact CD1-CD1 3.33Å; Y407-L419 HydrophobicContact CE1-CD1 4.13Å; Y407-L419 HydrophobicContact CG-CD1 3.61Å; Y407-W425 HydrophobicContact CD2-CZ3 4.48Å; Y407-R426 PolarHBondContact N-O 2.85Å; Y407-T427 WeakPolarHBondContact O-CA 3.38Å; Y407-G428 PolarHBondContact O-N 2.95Å
408	F	98.2	Very high	91.3	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134	174.1	-65.3	-82.9	0	0	0	111	Y120 G121 F122 D123 T127 L406 G428 I430 I520 M522 I525 M528	Y120-F408 AromaticContact CD1-CE2 3.97Å; Y120-F408 HydrophobicContact CD1-CE2 3.97Å; Y120-F408 HydrophobicContact CE1-CE2 4.46Å; G121-F408 PolarHBondContact O-N 2.75Å; F122-F408 CarbonylContact C-O 3.53Å; F122-F408 HydrophobicContact CD1-CB 4.08Å; F122-F408 AromaticContact CD1-CD2 3.93Å; F122-F408 HydrophobicContact CD1-CD2 3.93Å; F122-F408 HydrophobicContact CD1-CG 4.36Å; F122-F408 AromaticContact CE1-CD2 3.61Å; F122-F408 HydrophobicContact CE1-CD2 3.61Å; F122-F408 HydrophobicContact CE1-CE2 4.18Å; F122-F408 HydrophobicContact CE1-CG 4.35Å; F122-F408 HydrophobicContact CZ-CD2 4.32Å; D123-F408 PolarHBondContact N-O 3.48Å; T127-F408 HydrophobicContact CG2-CB 3.91Å; L406-F408 HydrophobicContact CD1-CZ 4.43Å; L406-F408 HydrophobicContact CD2-CE1 4.3Å; L406-F408 HydrophobicContact CD2-CE2 3.67Å; L406-F408 HydrophobicContact CD2-CZ 3.4Å; L406-F408 VanDerWaalsContact CD2-CZ 3.4Å; L406-F408 HydrophobicContact CG-CD2 4.35Å; L406-F408 HydrophobicContact CG-CE1 4.46Å; L406-F408 HydrophobicContact CG-CE2 3.67Å; L406-F408 HydrophobicContact CG-CZ 3.76Å; F408-G428 VanDerWaalsContact CA-O 3.29Å; F408-G428 WeakPolarHBondContact CA-O 3.25Å; F408-I430 HydrophobicContact CD1-CD1 4.12Å; F408-I520 HydrophobicContact CE1-CD1 4.36Å; F408-M522 HydrophobicContact CD1-CE 4.46Å; F408-M522 HydrophobicContact CE1-CE 3.68Å; F408-M522 HydrophobicContact CE1-SD 4.36Å; F408-I525 HydrophobicContact CB-CD1 4.2Å; F408-I525 HydrophobicContact CD1-CD1 3.47Å; F408-I525 VanDerWaalsContact CD1-CD1 3.47Å; F408-I525 HydrophobicContact CD2-CD1 3.75Å; F408-I525 HydrophobicContact CE1-CD1 3.63Å; F408-I525 HydrophobicContact CE2-CD1 3.89Å; F408-I525 HydrophobicContact CG-CD1 3.52Å; F408-I525 HydrophobicContact CZ-CD1 3.82Å; F408-M528 HydrophobicContact CZ-SD 4.2Å
409	G	96.9	Very high	90.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.7	174.1	0	0	0	0	0	110.5	T127 G428 A429 I430	T127-G409 WeakPolarHBondContact OG1-CA 3.44Å; G409-G428 PolarHBondContact N-O 3.25Å; G409-A429 WeakPolarHBondContact O-CA 3.32Å; G409-I430 PolarHBondContact O-N 3.38Å
410	D	95.1	Very high	90.1	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	-88.5	-31.4	175.4	76.7	-66.8	0	0	0	110.5	T127 R169 I412 I430	T127-D410 PolarHBondContact OG1-N 3.44Å; T127-D410 VanDerWaalsContact OG1-N 3.15Å; R169-D410 PolarHBondContact NH1-O 3.27Å; R169-D410 PolarHBondContact NH2-O 3.06Å; R169-D410 IonicContact NH2-OD2 2.84Å; D410-I412 PolarHBondContact O-N 3.15Å; D410-I430 WeakPolarHBondContact CA-O 3.31Å; D410-I430 HydrophobicContact CB-CB 4.39Å; D410-I430 WeakPolarHBondContact CB-O 3.41Å
411	H	92.1	Very high	89.5	Confident	32 Å²	32	26.6 Å²	26.6	15%	0.148	14%	0.139	C	C	.	.			trans	-91.2	95.9	-175.1	-168.7	-48	0	0	0	111.8	D238 Y413 S414 D415	D238-H411 IonicContact OD2-CD2 2.85Å; H411-Y413 PolarHBondContact ND1-N 3.23Å; H411-Y413 CarbonylContact O-C 3.55Å; H411-Y413 PolarHBondContact O-N 3.22Å; H411-S414 WeakPolarHBondContact CB-OG 3.26Å; H411-S414 PolarHBondContact ND1-N 2.79Å; H411-S414 PolarHBondContact ND1-OG 3.11Å; H411-S414 PolarHBondContact O-N 3.44Å; H411-D415 WeakPolarHBondContact CB-OD2 3.48Å; H411-D415 PolarHBondContact N-OD2 2.72Å; H411-D415 VanDerWaalsContact O-CB 3.23Å; H411-D415 WeakPolarHBondContact O-CB 3.21Å; H411-D415 PolarHBondContact O-N 2.71Å
412	I	88.2	Confident	89	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-41.5	-40.7	-176.9	-60.3	173.5	0	0	0	114.3	M237 D410 L416 A417 F510 R513 L514 F517	M237-I412 HydrophobicContact CE-CB 4.18Å; M237-I412 HydrophobicContact CE-CD1 3.82Å; M237-I412 HydrophobicContact CE-CG1 4.44Å; D410-I412 PolarHBondContact O-N 3.15Å; I412-L416 WeakPolarHBondContact O-CB 3.45Å; I412-L416 PolarHBondContact O-N 2.76Å; I412-A417 PolarHBondContact O-N 3.29Å; I412-F510 HydrophobicContact CD1-CD2 4.15Å; I412-F510 HydrophobicContact CD1-CE1 4.08Å; I412-F510 HydrophobicContact CD1-CE2 3.54Å; I412-F510 HydrophobicContact CD1-CZ 3.5Å; I412-R513 HydrophobicContact CG2-CB 4.29Å; I412-L514 HydrophobicContact CD1-CB 3.89Å; I412-L514 HydrophobicContact CD1-CD1 3.98Å; I412-L514 HydrophobicContact CG1-CD1 4.38Å; I412-F517 HydrophobicContact CG2-CB 4.02Å; I412-F517 HydrophobicContact CG2-CD2 3.77Å; I412-F517 HydrophobicContact CG2-CG 4.38Å
413	Y	81.9	Confident	88.5	Confident	13 Å²	13	24.7 Å²	24.7	5%	0.051	13%	0.128	C	C	.	.	I	π-helix	trans	-82.1	-61.5	177.1	-71.7	-68.9	0	0	0	116.8	F223 M237 H411 D415 A417 R513 F517	F223-Y413 HydrophobicContact CB-CD1 4.22Å; F223-Y413 HydrophobicContact CB-CE1 4.23Å; F223-Y413 HydrophobicContact CD1-CD1 4.06Å; F223-Y413 AromaticContact CD1-CE1 3.25Å; F223-Y413 HydrophobicContact CD1-CE1 3.25Å; F223-Y413 AromaticContact CD1-CZ 3.85Å; F223-Y413 AromaticContact CE1-CE1 3.91Å; F223-Y413 HydrophobicContact CE1-CE1 3.91Å; F223-Y413 HydrophobicContact CG-CE1 4.12Å; M237-Y413 HydrophobicContact CB-CD2 4.35Å; M237-Y413 HydrophobicContact CE-CD2 4.27Å; M237-Y413 HydrophobicContact CE-CE2 3.86Å; M237-Y413 HydrophobicContact CG-CD2 3.94Å; M237-Y413 HydrophobicContact CG-CE2 3.89Å; M237-Y413 HydrophobicContact SD-CE2 4.22Å; H411-Y413 PolarHBondContact ND1-N 3.23Å; H411-Y413 CarbonylContact O-C 3.55Å; H411-Y413 PolarHBondContact O-N 3.22Å; Y413-D415 PolarHBondContact O-N 2.84Å; Y413-D415 VanDerWaalsContact O-N 3.14Å; Y413-A417 HydrophobicContact CD1-CB 3.88Å; Y413-A417 HydrophobicContact CE1-CB 4.32Å; Y413-R513 VanDerWaalsContact CE2-CD 3.48Å; Y413-R513 HydrophobicContact CE2-CG 4.35Å; Y413-R513 VanDerWaalsContact CZ-CD 3.46Å; Y413-R513 VanDerWaalsContact CZ-CZ 3.48Å; Y413-R513 WeakPolarHBondContact OH-CD 3.33Å; Y413-R513 WeakPolarHBondContact OH-CG 3.49Å; Y413-R513 PolarHBondContact OH-NE 3.03Å; Y413-R513 PolarHBondContact OH-NH1 2.9Å; Y413-F517 HydrophobicContact CE1-CD2 4.25Å; Y413-F517 AromaticContact CE1-CE2 3.63Å; Y413-F517 HydrophobicContact CE1-CE2 3.63Å; Y413-F517 HydrophobicContact CE1-CZ 4.31Å
414	S	82.1	Confident	88.2	Confident	18 Å²	18	23.3 Å²	23.3	13%	0.126	13%	0.125	C	C	.	.	I	π-helix	trans	-61.7	-25.9	-172.5	53.7	0	0	0	0	111.5	F356 H411	F356-S414 WeakPolarHBondContact CD2-O 3.45Å; F356-S414 WeakPolarHBondContact CE2-O 3.31Å; H411-S414 WeakPolarHBondContact CB-OG 3.26Å; H411-S414 PolarHBondContact ND1-N 2.79Å; H411-S414 PolarHBondContact ND1-OG 3.11Å; H411-S414 PolarHBondContact O-N 3.44Å
415	D	84.1	Confident	88.1	Confident	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.	I	π-helix	trans	-102.8	-50.7	-173.8	-59.7	-17.6	0	0	0	112.4	K352 Y407 H411 Y413 L419	K352-D415 WeakPolarHBondContact CD-OD1 3.43Å; K352-D415 WeakPolarHBondContact CE-OD1 3.43Å; K352-D415 IonicContact NZ-OD1 3.16Å; K352-D415 PolarHBondContact NZ-OD1 3.15Å; K352-D415 IonicContact NZ-OD2 2.72Å; Y407-D415 HydrophobicContact CE1-CB 3.89Å; H411-D415 WeakPolarHBondContact CB-OD2 3.48Å; H411-D415 PolarHBondContact N-OD2 2.72Å; H411-D415 VanDerWaalsContact O-CB 3.23Å; H411-D415 WeakPolarHBondContact O-CB 3.21Å; H411-D415 PolarHBondContact O-N 2.71Å; Y413-D415 PolarHBondContact O-N 2.84Å; Y413-D415 VanDerWaalsContact O-N 3.14Å; D415-L419 WeakPolarHBondContact O-CD1 3.43Å; D415-L419 WeakPolarHBondContact O-CG 3.47Å
416	L	89.5	Confident	88.1	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-104.3	-36.2	-161.9	-47.2	-177.3	0	0	0	113.9	Y407 I412 D418 L419 T420 T427 A429 F517 A518	Y407-L416 HydrophobicContact CD1-CD2 4.07Å; I412-L416 WeakPolarHBondContact O-CB 3.45Å; I412-L416 PolarHBondContact O-N 2.76Å; L416-D418 PolarHBondContact O-N 2.97Å; L416-L419 PolarHBondContact O-N 3.2Å; L416-T420 PolarHBondContact O-N 2.69Å; L416-T420 VanDerWaalsContact O-N 3.07Å; L416-T420 PolarHBondContact O-OG1 2.68Å; L416-T427 HydrophobicContact CB-CG2 4.12Å; L416-T427 HydrophobicContact CD2-CG2 4.15Å; L416-A429 HydrophobicContact CD1-CB 3.67Å; L416-F517 HydrophobicContact CB-CB 4.49Å; L416-A518 HydrophobicContact CD1-CB 4.15Å
417	A	84.6	Confident	88.1	Confident	7 Å²	7	21 Å²	21	6%	0.058	11%	0.114	C	C	.	.	I	π-helix	trans	-59.7	-49.3	-168.1	0	0	0	0	0	113.4	I412 Y413 L421 F517	I412-A417 PolarHBondContact O-N 3.29Å; Y413-A417 HydrophobicContact CD1-CB 3.88Å; Y413-A417 HydrophobicContact CE1-CB 4.32Å; A417-L421 VanDerWaalsContact O-CB 3.28Å; A417-L421 WeakPolarHBondContact O-CB 3.35Å; A417-L421 WeakPolarHBondContact O-CG 3.38Å; A417-L421 PolarHBondContact O-N 3.37Å; A417-F517 HydrophobicContact CB-CD1 3.99Å; A417-F517 HydrophobicContact CB-CD2 4.21Å; A417-F517 HydrophobicContact CB-CE1 4.16Å; A417-F517 HydrophobicContact CB-CE2 4.36Å; A417-F517 HydrophobicContact CB-CG 4.02Å; A417-F517 HydrophobicContact CB-CZ 4.33Å
418	D	83.8	Confident	88.1	Confident	4 Å²	4	21 Å²	21	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-69.5	-34.2	-179.1	-82.5	-47.5	0	0	0	112	Y224 F356 N357 L416 K422 H423	Y224-D418 PolarHBondContact OH-OD1 3.44Å; Y224-D418 VanDerWaalsContact OH-OD1 3.06Å; Y224-D418 PolarHBondContact OH-OD2 2.59Å; F356-D418 HydrophobicContact CB-CB 3.91Å; N357-D418 WeakPolarHBondContact CB-OD2 3.49Å; N357-D418 PolarHBondContact ND2-OD2 3.38Å; N357-D418 VanDerWaalsContact ND2-OD2 3.08Å; L416-D418 PolarHBondContact O-N 2.97Å; D418-K422 WeakPolarHBondContact O-CB 3.49Å; D418-K422 PolarHBondContact O-N 3.21Å; D418-K422 VanDerWaalsContact OD1-CE 3.26Å; D418-K422 WeakPolarHBondContact OD1-CE 3.47Å; D418-K422 IonicContact OD1-NZ 2.83Å; D418-K422 PolarHBondContact OD1-NZ 2.91Å; D418-H423 PolarHBondContact O-CD2 3.44Å
419	L	83.8	Confident	88.1	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-62.4	-48.4	177.2	-65.6	-178.9	0	0	0	111.9	F356 L391 Y407 D415 L416 H423 G424 W425 T427	F356-L419 HydrophobicContact CD1-CD2 3.55Å; F356-L419 HydrophobicContact CD1-CG 4.15Å; F356-L419 HydrophobicContact CE1-CD1 4.16Å; F356-L419 HydrophobicContact CE1-CD2 3.71Å; F356-L419 HydrophobicContact CE1-CG 4.15Å; F356-L419 HydrophobicContact CG-CD2 4.29Å; F356-L419 HydrophobicContact CZ-CD1 4.28Å; L391-L419 HydrophobicContact CD2-CD2 3.76Å; Y407-L419 HydrophobicContact CD1-CD1 3.33Å; Y407-L419 HydrophobicContact CE1-CD1 4.13Å; Y407-L419 HydrophobicContact CG-CD1 3.61Å; D415-L419 WeakPolarHBondContact O-CD1 3.43Å; D415-L419 WeakPolarHBondContact O-CG 3.47Å; L416-L419 PolarHBondContact O-N 3.2Å; L419-H423 CarbonylContact O-C 3.56Å; L419-H423 PolarHBondContact O-N 3.25Å; L419-H423 VanDerWaalsContact O-N 3.13Å; L419-G424 PolarHBondContact O-N 2.62Å; L419-G424 VanDerWaalsContact O-N 3.1Å; L419-W425 HydrophobicContact CB-CB 4.33Å; L419-W425 HydrophobicContact CD1-CE3 3.87Å; L419-W425 HydrophobicContact CD1-CZ3 4.3Å; L419-W425 HydrophobicContact CD2-CD2 4.1Å; L419-W425 HydrophobicContact CD2-CE3 3.64Å; L419-W425 HydrophobicContact CD2-CZ3 3.97Å; L419-W425 HydrophobicContact CG-CE3 4.29Å; L419-T427 HydrophobicContact CB-CG2 4.13Å
420	T	81.1	Confident	88.1	Confident	39 Å²	39	20.9 Å²	20.9	24%	0.239	11%	0.113	C	C	.	.	I	π-helix	trans	-68.2	-44.8	178.3	-58.2	0	0	0	0	111.2	L416 T427 F517	L416-T420 PolarHBondContact O-N 2.69Å; L416-T420 VanDerWaalsContact O-N 3.07Å; L416-T420 PolarHBondContact O-OG1 2.68Å; T420-T427 VanDerWaalsContact OG1-CG2 3.23Å; T420-T427 WeakPolarHBondContact OG1-CG2 3.35Å; T420-T427 PolarHBondContact OG1-OG1 2.82Å; T420-F517 PolarHBondContact OG1-O 2.96Å
421	L	80.9	Confident	88.2	Confident	89 Å²	89	20.7 Å²	20.7	47%	0.466	11%	0.112	S	C	.	.	I	π-helix	trans	-75.1	-33.3	-174.1	-70.9	175.5	0	0	0	114.5	A417 F517	A417-L421 VanDerWaalsContact O-CB 3.28Å; A417-L421 WeakPolarHBondContact O-CB 3.35Å; A417-L421 WeakPolarHBondContact O-CG 3.38Å; A417-L421 PolarHBondContact O-N 3.37Å; L421-F517 HydrophobicContact CD1-CE1 3.79Å; L421-F517 HydrophobicContact CD2-CE1 4.14Å; L421-F517 HydrophobicContact CG-CD1 4.36Å; L421-F517 HydrophobicContact CG-CE1 3.93Å
422	K	79.6	Confident	88.3	Confident	113 Å²	113	21 Å²	21	49%	0.491	12%	0.117	S	C	.	.	I	π-helix	trans	-119.2	-20.7	-167.4	-63.1	171.9	179.4	161.2	0	114.4	D418	D418-K422 WeakPolarHBondContact O-CB 3.49Å; D418-K422 PolarHBondContact O-N 3.21Å; D418-K422 VanDerWaalsContact OD1-CE 3.26Å; D418-K422 WeakPolarHBondContact OD1-CE 3.47Å; D418-K422 IonicContact OD1-NZ 2.83Å; D418-K422 PolarHBondContact OD1-NZ 2.91Å
423	H	78.9	Confident	88.7	Confident	30 Å²	30	23 Å²	23	14%	0.139	13%	0.127	C	C	.	.	I	π-helix	trans	-124.4	-9.5	-167.3	-59	-70.2	0	0	0	114.6	L391 Y392 D418 L419 W425	L391-H423 HydrophobicContact CD2-CB 4.24Å; L391-H423 WeakPolarHBondContact CD2-CD2 3.48Å; L391-H423 VanDerWaalsContact CD2-CG 3.44Å; L391-H423 WeakPolarHBondContact CD2-NE2 3.46Å; Y392-H423 AromaticContact CZ-CE1 3.99Å; D418-H423 PolarHBondContact O-CD2 3.44Å; L419-H423 CarbonylContact O-C 3.56Å; L419-H423 PolarHBondContact O-N 3.25Å; L419-H423 VanDerWaalsContact O-N 3.13Å; H423-W425 PolarHBondContact O-N 3.11Å
424	G	83.8	Confident	89.4	Confident	43 Å²	43	22.8 Å²	22.8	44%	0.443	13%	0.126	S	C	.	.			trans	64.2	21.5	175.6	0	0	0	0	0	113.6	G402 S403 L419	G402-G424 CarbonylContact C-O 3.6Å; S403-G424 PolarHBondContact N-O 3.17Å; L419-G424 PolarHBondContact O-N 2.62Å; L419-G424 VanDerWaalsContact O-N 3.1Å
425	W	93.3	Very high	90.1	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.019	13%	0.128	C	C	.	.			trans	-72.5	150.2	169.6	-74.7	13.8	0	0	0	109.6	F317 L391 F394 L395 V405 Y407 L419 H423	F317-W425 HydrophobicContact CE1-CH2 4.37Å; F317-W425 HydrophobicContact CE1-CZ3 4.47Å; F317-W425 HydrophobicContact CE2-CH2 4.11Å; F317-W425 HydrophobicContact CE2-CZ3 4.02Å; F317-W425 HydrophobicContact CZ-CE3 4.41Å; F317-W425 AromaticContact CZ-CH2 3.56Å; F317-W425 HydrophobicContact CZ-CH2 3.56Å; F317-W425 AromaticContact CZ-CZ3 3.44Å; F317-W425 HydrophobicContact CZ-CZ3 3.44Å; F317-W425 VanDerWaalsContact CZ-CZ3 3.44Å; L391-W425 HydrophobicContact CD1-CH2 3.72Å; L391-W425 HydrophobicContact CD1-CZ2 3.8Å; L391-W425 HydrophobicContact CD1-CZ3 4.42Å; F394-W425 HydrophobicContact CD1-CH2 4.06Å; F394-W425 HydrophobicContact CD1-CZ2 4.18Å; F394-W425 AromaticContact CE1-CH2 3.62Å; F394-W425 HydrophobicContact CE1-CH2 3.62Å; F394-W425 AromaticContact CE1-CZ2 3.89Å; F394-W425 HydrophobicContact CE1-CZ2 3.89Å; L395-W425 HydrophobicContact CD2-CZ2 3.55Å; V405-W425 HydrophobicContact CB-CD2 3.82Å; V405-W425 HydrophobicContact CB-CE3 4.34Å; V405-W425 HydrophobicContact CB-CG 3.89Å; V405-W425 HydrophobicContact CB-CZ2 4.48Å; V405-W425 HydrophobicContact CG1-CD2 3.56Å; V405-W425 HydrophobicContact CG1-CE3 3.59Å; V405-W425 HydrophobicContact CG1-CG 4.14Å; V405-W425 HydrophobicContact CG1-CH2 4.04Å; V405-W425 HydrophobicContact CG1-CZ2 3.96Å; V405-W425 HydrophobicContact CG1-CZ3 3.87Å; V405-W425 HydrophobicContact CG2-CD2 4.43Å; V405-W425 HydrophobicContact CG2-CZ2 4.37Å; Y407-W425 HydrophobicContact CD2-CZ3 4.48Å; L419-W425 HydrophobicContact CB-CB 4.33Å; L419-W425 HydrophobicContact CD1-CE3 3.87Å; L419-W425 HydrophobicContact CD1-CZ3 4.3Å; L419-W425 HydrophobicContact CD2-CD2 4.1Å; L419-W425 HydrophobicContact CD2-CE3 3.64Å; L419-W425 HydrophobicContact CD2-CZ3 3.97Å; L419-W425 HydrophobicContact CG-CE3 4.29Å; H423-W425 PolarHBondContact O-N 3.11Å
426	R	96.4	Very high	90.6	Very high	41 Å²	41	28.7 Å²	28.7	16%	0.155	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	149.4	167.8	-55.6	-52.5	-58.8	-102.7	10.4	109.7	E111 M112 I117 S403 V405 L406 Y407 D519	E111-R426 PolarHBondContact O-NH1 3.14Å; E111-R426 PolarHBondContact O-NH2 3.32Å; M112-R426 HydrophobicContact CE-CB 3.78Å; M112-R426 HydrophobicContact CE-CG 4.38Å; M112-R426 HydrophobicContact SD-CB 4.41Å; I117-R426 HydrophobicContact CD1-CB 4.29Å; I117-R426 HydrophobicContact CD1-CG 3.84Å; S403-R426 VanDerWaalsContact O-CG 3.31Å; S403-R426 WeakPolarHBondContact O-CG 3.46Å; V405-R426 WeakPolarHBondContact O-CB 3.28Å; V405-R426 PolarHBondContact O-N 2.95Å; L406-R426 WeakPolarHBondContact CA-O 3.44Å; L406-R426 HydrophobicContact CB-CB 4.34Å; L406-R426 HydrophobicContact CD1-CB 3.79Å; Y407-R426 PolarHBondContact N-O 2.85Å; R426-D519 WeakPolarHBondContact CA-OD2 3.31Å; R426-D519 IonicContact CZ-OD1 3.74Å; R426-D519 IonicContact CZ-OD2 2.96Å; R426-D519 IonicContact NE-OD1 2.74Å; R426-D519 PolarHBondContact NE-OD1 2.76Å; R426-D519 IonicContact NE-OD2 3.86Å; R426-D519 PolarHBondContact NE-OD2 2.93Å; R426-D519 IonicContact NH2-OD1 3.19Å; R426-D519 PolarHBondContact NH2-OD1 3.37Å; R426-D519 IonicContact NH2-OD2 2.7Å
427	T	97.3	Very high	91	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.5	-174.5	48.4	0	0	0	0	112.9	Y407 L416 L419 T420 F517 A518 D519 I520	Y407-T427 WeakPolarHBondContact O-CA 3.38Å; L416-T427 HydrophobicContact CB-CG2 4.12Å; L416-T427 HydrophobicContact CD2-CG2 4.15Å; L419-T427 HydrophobicContact CB-CG2 4.13Å; T420-T427 VanDerWaalsContact OG1-CG2 3.23Å; T420-T427 WeakPolarHBondContact OG1-CG2 3.35Å; T420-T427 PolarHBondContact OG1-OG1 2.82Å; T427-F517 PolarHBondContact OG1-O 3.06Å; T427-A518 WeakPolarHBondContact OG1-CA 3.42Å; T427-D519 PolarHBondContact N-OD2 3.31Å; T427-D519 WeakPolarHBondContact O-CB 3.39Å; T427-D519 PolarHBondContact O-N 3.17Å; T427-D519 PolarHBondContact OG1-N 2.76Å; T427-I520 PolarHBondContact O-N 2.98Å
428	G	97.8	Very high	91.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.5	175.3	0	0	0	0	0	111.4	Y407 F408 G409 I520	Y407-G428 PolarHBondContact O-N 2.95Å; F408-G428 VanDerWaalsContact CA-O 3.29Å; F408-G428 WeakPolarHBondContact CA-O 3.25Å; G409-G428 PolarHBondContact N-O 3.25Å; G428-I520 CarbonylContact C-O 3.58Å; G428-I520 VanDerWaalsContact CA-O 3.31Å; G428-I520 WeakPolarHBondContact CA-O 3.47Å
429	A	98	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	176.8	0	0	0	0	0	112	G409 L416 I431 L514 A518 I520 Y521 M522	G409-A429 WeakPolarHBondContact O-CA 3.32Å; L416-A429 HydrophobicContact CD1-CB 3.67Å; A429-I431 HydrophobicContact CB-CD1 4.09Å; A429-I431 HydrophobicContact CB-CG1 4.31Å; A429-L514 HydrophobicContact CB-CD1 3.5Å; A429-L514 VanDerWaalsContact CB-CD1 3.5Å; A429-A518 HydrophobicContact CB-CB 3.65Å; A429-I520 PolarHBondContact N-O 3.45Å; A429-Y521 VanDerWaalsContact O-CA 3.26Å; A429-Y521 WeakPolarHBondContact O-CA 3.35Å; A429-M522 PolarHBondContact O-N 2.69Å
430	I	97.6	Very high	92.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.1	171.6	-54.2	-53.7	0	0	0	109.3	Y126 T127 F130 F408 G409 D410 M522 I525	Y126-I430 WeakPolarHBondContact O-CG2 3.4Å; T127-I430 HydrophobicContact CG2-CG1 4.11Å; F130-I430 HydrophobicContact CE1-CG2 3.7Å; F130-I430 HydrophobicContact CZ-CG2 3.7Å; F408-I430 HydrophobicContact CD1-CD1 4.12Å; G409-I430 PolarHBondContact O-N 3.38Å; D410-I430 WeakPolarHBondContact CA-O 3.31Å; D410-I430 HydrophobicContact CB-CB 4.39Å; D410-I430 WeakPolarHBondContact CB-O 3.41Å; I430-M522 HydrophobicContact CD1-CG 3.61Å; I430-M522 HydrophobicContact CD1-SD 4Å; I430-I525 HydrophobicContact CD1-CB 4.36Å; I430-I525 HydrophobicContact CD1-CD1 4.15Å
431	I	97.3	Very high	93.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	-122.9	84.5	-177.2	-47.8	-56.4	0	0	0	109.3	A429 E433 L434 L500 F501 F510 L514 M522 A523	A429-I431 HydrophobicContact CB-CD1 4.09Å; A429-I431 HydrophobicContact CB-CG1 4.31Å; I431-E433 WeakPolarHBondContact CG2-OE2 3.43Å; I431-E433 PolarHBondContact O-N 2.95Å; I431-E433 VanDerWaalsContact O-N 3.1Å; I431-L434 HydrophobicContact CB-CB 4.37Å; I431-L434 HydrophobicContact CG2-CB 4.4Å; I431-L434 WeakPolarHBondContact O-CB 3.31Å; I431-L434 PolarHBondContact O-N 2.9Å; I431-L500 HydrophobicContact CG2-CD2 3.73Å; I431-F501 HydrophobicContact CG2-CE1 4.35Å; I431-F501 HydrophobicContact CG2-CZ 3.85Å; I431-F510 HydrophobicContact CD1-CE1 4.48Å; I431-F510 HydrophobicContact CD1-CZ 3.87Å; I431-F510 HydrophobicContact CG2-CE1 4.49Å; I431-F510 HydrophobicContact CG2-CZ 4.4Å; I431-L514 HydrophobicContact CD1-CD1 4.26Å; I431-L514 HydrophobicContact CG1-CD1 4.29Å; I431-L514 HydrophobicContact CG1-CD2 4.43Å; I431-M522 PolarHBondContact N-O 3Å; I431-A523 WeakPolarHBondContact O-CA 3.26Å
432	P	95.1	Very high	94	Very high	37 Å²	37	34.9 Å²	34.9	24%	0.24	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.7	-175.3	-27	35.3	0	0	0	114.7	F130 I239 L434 A523	F130-P432 HydrophobicContact CD1-CG 4.29Å; F130-P432 HydrophobicContact CE1-CG 4.11Å; I239-P432 HydrophobicContact CD1-CG 3.81Å; P432-L434 PolarHBondContact O-N 3.5Å; P432-A523 WeakPolarHBondContact CA-O 3.19Å
433	E	96	Very high	94.7	Very high	44 Å²	44	31.9 Å²	31.9	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.8	-179.5	-55.1	94.8	142.7	0	0	112.6	R169 I431 R435 K436 E437 L500	R169-E433 WeakPolarHBondContact CB-OE1 3.48Å; R169-E433 WeakPolarHBondContact CD-OE1 3.47Å; I431-E433 WeakPolarHBondContact CG2-OE2 3.43Å; I431-E433 PolarHBondContact O-N 2.95Å; I431-E433 VanDerWaalsContact O-N 3.1Å; E433-R435 VanDerWaalsContact C-N 3.26Å; E433-R435 PolarHBondContact O-N 3.29Å; E433-K436 PolarHBondContact O-N 2.8Å; E433-K436 VanDerWaalsContact O-N 3.11Å; E433-E437 PolarHBondContact O-N 2.84Å; E433-L500 HydrophobicContact CB-CD2 4Å; E433-L500 HydrophobicContact CG-CD2 4.37Å
434	L	96.9	Very high	95.3	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-39	-176.5	-177.7	64.8	0	0	0	112.5	F107 I431 P432 K436 E437 I438 F501 Y521 A523	F107-L434 HydrophobicContact CD2-CD2 3.82Å; F107-L434 HydrophobicContact CE2-CD2 3.82Å; F107-L434 HydrophobicContact CE2-CG 4.49Å; I431-L434 HydrophobicContact CB-CB 4.37Å; I431-L434 HydrophobicContact CG2-CB 4.4Å; I431-L434 WeakPolarHBondContact O-CB 3.31Å; I431-L434 PolarHBondContact O-N 2.9Å; P432-L434 PolarHBondContact O-N 3.5Å; L434-K436 PolarHBondContact O-N 2.87Å; L434-E437 PolarHBondContact O-N 3.1Å; L434-I438 HydrophobicContact CD1-CD1 3.96Å; L434-I438 HydrophobicContact CD1-CG1 4.18Å; L434-I438 HydrophobicContact CD2-CD1 4.31Å; L434-I438 HydrophobicContact CG-CD1 3.71Å; L434-I438 HydrophobicContact CG-CG1 4.32Å; L434-I438 WeakPolarHBondContact O-CG1 3.34Å; L434-I438 PolarHBondContact O-N 2.64Å; L434-F501 HydrophobicContact CB-CE2 4.46Å; L434-F501 HydrophobicContact CB-CZ 4.25Å; L434-F501 HydrophobicContact CD1-CE2 3.59Å; L434-F501 HydrophobicContact CD1-CZ 3.64Å; L434-Y521 HydrophobicContact CD1-CE2 4.15Å; L434-Y521 HydrophobicContact CD2-CD2 3.8Å; L434-Y521 HydrophobicContact CD2-CE2 3.86Å; L434-A523 HydrophobicContact CB-CB 4.22Å
435	R	95.7	Very high	95.7	Very high	42 Å²	42	39.4 Å²	39.4	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-179.5	-172.9	177.7	-68.7	115.7	-3.9	111.9	P103 D104 E433 K439 A523	P103-R435 HydrophobicContact CB-CG 3.72Å; D104-R435 IonicContact OD1-CZ 2.88Å; D104-R435 IonicContact OD1-NE 2.75Å; D104-R435 PolarHBondContact OD1-NE 2.83Å; D104-R435 IonicContact OD1-NH2 3.96Å; D104-R435 PolarHBondContact OD1-NH2 3.02Å; E433-R435 VanDerWaalsContact C-N 3.26Å; E433-R435 PolarHBondContact O-N 3.29Å; R435-K439 VanDerWaalsContact O-CG 3.31Å; R435-K439 WeakPolarHBondContact O-CG 3.37Å; R435-K439 PolarHBondContact O-N 2.82Å; R435-A523 HydrophobicContact CB-CB 3.83Å
436	K	95.9	Very high	95.6	Very high	102 Å²	102	40.4 Å²	40.4	44%	0.443	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-45	177.5	-175.5	179.3	178.8	179.8	0	109.7	D165 E433 L434 K439 I440	D165-K436 IonicContact OD1-NZ 2.71Å; D165-K436 PolarHBondContact OD1-NZ 2.81Å; D165-K436 IonicContact OD2-NZ 2.64Å; D165-K436 PolarHBondContact OD2-NZ 3.44Å; E433-K436 PolarHBondContact O-N 2.8Å; E433-K436 VanDerWaalsContact O-N 3.11Å; L434-K436 PolarHBondContact O-N 2.87Å; K436-K439 PolarHBondContact O-N 2.82Å; K436-I440 HydrophobicContact CG-CD1 4.13Å; K436-I440 WeakPolarHBondContact O-CG1 3.4Å; K436-I440 PolarHBondContact O-N 2.97Å; K436-I440 VanDerWaalsContact O-N 3.08Å
437	E	96.8	Very high	95.4	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-43.5	179.2	-68.4	-149.3	-164.8	0	0	113.4	E433 L434 K439 I440 M441 F493 S499 L500 F501	E433-E437 PolarHBondContact O-N 2.84Å; L434-E437 PolarHBondContact O-N 3.1Å; E437-K439 VanDerWaalsContact C-N 3.31Å; E437-K439 PolarHBondContact O-N 3.03Å; E437-I440 PolarHBondContact O-N 3.13Å; E437-M441 HydrophobicContact CB-CE 4.46Å; E437-M441 VanDerWaalsContact O-CG 3.31Å; E437-M441 WeakPolarHBondContact O-CG 3.35Å; E437-M441 PolarHBondContact O-N 3.35Å; E437-F493 HydrophobicContact CB-CD1 4.31Å; E437-F493 HydrophobicContact CB-CE1 4.04Å; E437-F493 HydrophobicContact CG-CD1 3.91Å; E437-F493 HydrophobicContact CG-CE1 4.1Å; E437-S499 WeakPolarHBondContact OE1-CA 3.44Å; E437-S499 PolarHBondContact OE1-OG 3.06Å; E437-S499 WeakPolarHBondContact OE2-CB 3.27Å; E437-S499 PolarHBondContact OE2-OG 3.25Å; E437-L500 WeakPolarHBondContact OE1-CB 3.22Å; E437-L500 PolarHBondContact OE1-N 3.36Å; E437-F501 HydrophobicContact CG-CE2 4.47Å; E437-F501 VanDerWaalsContact OE2-CD2 3.26Å; E437-F501 WeakPolarHBondContact OE2-CD2 2.99Å
438	I	97.2	Very high	95.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-42.1	177.5	-66.8	166.5	0	0	0	110.8	V101 P103 F107 L434 I440 M441 N442	V101-I438 HydrophobicContact CB-CG2 3.98Å; V101-I438 HydrophobicContact CG1-CG2 4.06Å; V101-I438 VanDerWaalsContact O-CG2 3.26Å; V101-I438 WeakPolarHBondContact O-CG2 3.1Å; P103-I438 HydrophobicContact CB-CB 4.28Å; P103-I438 HydrophobicContact CB-CG2 4.14Å; P103-I438 HydrophobicContact CG-CB 4.46Å; P103-I438 HydrophobicContact CG-CG2 3.93Å; F107-I438 HydrophobicContact CE2-CD1 3.57Å; F107-I438 HydrophobicContact CZ-CD1 3.53Å; L434-I438 HydrophobicContact CD1-CD1 3.96Å; L434-I438 HydrophobicContact CD1-CG1 4.18Å; L434-I438 HydrophobicContact CD2-CD1 4.31Å; L434-I438 HydrophobicContact CG-CD1 3.71Å; L434-I438 HydrophobicContact CG-CG1 4.32Å; L434-I438 WeakPolarHBondContact O-CG1 3.34Å; L434-I438 PolarHBondContact O-N 2.64Å; I438-I440 VanDerWaalsContact C-N 3.3Å; I438-I440 PolarHBondContact O-N 2.81Å; I438-M441 HydrophobicContact CB-CE 4.36Å; I438-M441 HydrophobicContact CG1-CE 3.85Å; I438-M441 PolarHBondContact O-N 3.03Å; I438-N442 VanDerWaalsContact O-CG 3.25Å; I438-N442 PolarHBondContact O-N 2.89Å; I438-N442 PolarHBondContact O-ND2 3.28Å
439	K	96.8	Very high	94.8	Very high	125 Å²	125	43.7 Å²	43.7	54%	0.543	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-42.1	175.6	-74.1	176.7	178.9	-174.4	0	112	P103 R435 K436 E437 N442	P103-K439 HydrophobicContact CG-CG 3.94Å; R435-K439 VanDerWaalsContact O-CG 3.31Å; R435-K439 WeakPolarHBondContact O-CG 3.37Å; R435-K439 PolarHBondContact O-N 2.82Å; K436-K439 PolarHBondContact O-N 2.82Å; E437-K439 VanDerWaalsContact C-N 3.31Å; E437-K439 PolarHBondContact O-N 3.03Å; K439-N442 PolarHBondContact O-N 3.36Å
440	I	95.8	Very high	94.5	Very high	28 Å²	28	45.7 Å²	45.7	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-45.5	175.2	-67.5	165.1	0	0	0	110.5	K436 E437 I438 N442 T443 Y446 I492 F493	K436-I440 HydrophobicContact CG-CD1 4.13Å; K436-I440 WeakPolarHBondContact O-CG1 3.4Å; K436-I440 PolarHBondContact O-N 2.97Å; K436-I440 VanDerWaalsContact O-N 3.08Å; E437-I440 PolarHBondContact O-N 3.13Å; I438-I440 VanDerWaalsContact C-N 3.3Å; I438-I440 PolarHBondContact O-N 2.81Å; I440-N442 PolarHBondContact O-N 2.8Å; I440-T443 WeakPolarHBondContact O-CB 3.29Å; I440-T443 WeakPolarHBondContact O-CG2 3.25Å; I440-T443 PolarHBondContact O-N 3.15Å; I440-T443 PolarHBondContact O-OG1 3.15Å; I440-Y446 WeakPolarHBondContact O-CB 3.46Å; I440-I492 HydrophobicContact CG2-CD1 4.33Å; I440-I492 HydrophobicContact CG2-CG1 3.94Å; I440-I492 HydrophobicContact CG2-CG2 4.17Å; I440-F493 HydrophobicContact CB-CD1 4.24Å; I440-F493 HydrophobicContact CB-CE1 4.09Å; I440-F493 HydrophobicContact CD1-CD1 3.99Å; I440-F493 HydrophobicContact CG2-CD1 3.94Å; I440-F493 HydrophobicContact CG2-CE1 3.81Å; I440-F493 HydrophobicContact CG2-CG 4.48Å; I440-F493 HydrophobicContact CG2-CZ 4.26Å
441	M	94.1	Very high	94.1	Very high	62 Å²	62	47.2 Å²	47.2	31%	0.305	24%	0.237	S	C	.	.	H	α-helix	trans	-63.9	-28.1	-180	-71.3	-172.1	-67.6	0	0	113.4	E437 I438 T443 Y446 V447 F493	E437-M441 HydrophobicContact CB-CE 4.46Å; E437-M441 VanDerWaalsContact O-CG 3.31Å; E437-M441 WeakPolarHBondContact O-CG 3.35Å; E437-M441 PolarHBondContact O-N 3.35Å; I438-M441 HydrophobicContact CB-CE 4.36Å; I438-M441 HydrophobicContact CG1-CE 3.85Å; I438-M441 PolarHBondContact O-N 3.03Å; M441-T443 VanDerWaalsContact C-N 3.29Å; M441-Y446 VanDerWaalsContact CA-CD1 3.44Å; M441-Y446 HydrophobicContact CB-CD1 3.98Å; M441-Y446 HydrophobicContact CB-CE1 3.94Å; M441-Y446 HydrophobicContact CG-CD1 4.1Å; M441-Y446 HydrophobicContact CG-CE1 3.65Å; M441-Y446 WeakPolarHBondContact O-CD1 3.47Å; M441-Y446 HydrophobicContact SD-CE1 4.48Å; M441-V447 WeakPolarHBondContact O-CG2 3.26Å; M441-F493 HydrophobicContact CG-CE1 4.02Å; M441-F493 HydrophobicContact CG-CZ 3.83Å
442	N	94.3	Very high	94	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.193	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.2	175.4	-69	-19.4	0	0	0	113.4	S100 V101 I438 K439 I440	S100-N442 PolarHBondContact OG-ND2 3.43Å; V101-N442 PolarHBondContact N-OD1 3.39Å; V101-N442 PolarHBondContact O-ND2 2.93Å; I438-N442 VanDerWaalsContact O-CG 3.25Å; I438-N442 PolarHBondContact O-N 2.89Å; I438-N442 PolarHBondContact O-ND2 3.28Å; K439-N442 PolarHBondContact O-N 3.36Å; I440-N442 PolarHBondContact O-N 2.8Å
443	T	93.7	Very high	93.9	Very high	49 Å²	49	46.6 Å²	46.6	30%	0.301	23%	0.231	S	C	.	.	S	Bend	trans	-67	141.3	178.6	63.4	0	0	0	0	110.6	I440 M441 Q445 Y446 V447	I440-T443 WeakPolarHBondContact O-CB 3.29Å; I440-T443 WeakPolarHBondContact O-CG2 3.25Å; I440-T443 PolarHBondContact O-N 3.15Å; I440-T443 PolarHBondContact O-OG1 3.15Å; M441-T443 VanDerWaalsContact C-N 3.29Å; T443-Q445 PolarHBondContact O-N 3.18Å; T443-Y446 PolarHBondContact O-N 3.36Å; T443-Y446 VanDerWaalsContact O-N 3.09Å; T443-Y446 WeakPolarHBondContact OG1-CB 3.35Å; T443-Y446 PolarHBondContact OG1-N 3.34Å; T443-V447 WeakPolarHBondContact O-CG2 3.34Å; T443-V447 PolarHBondContact O-N 2.84Å
444	P	91.6	Very high	93.6	Very high	96 Å²	96	48.9 Å²	48.9	62%	0.623	24%	0.242	S	C	*	.	H	α-helix	trans	-55.2	-36.3	176	-27.3	35	0	0	0	112.7	V447 H448	P444-V447 PolarHBondContact O-N 2.99Å; P444-H448 WeakPolarHBondContact O-CB 3.41Å; P444-H448 PolarHBondContact O-N 3.08Å
445	Q	92	Very high	93.4	Very high	135 Å²	135	49.3 Å²	49.3	63%	0.631	25%	0.246	S	C	*	.	H	α-helix	trans	-58.8	-50.9	175.8	-178	-177.1	0	0	0	111.8	T443 M449 I492	T443-Q445 PolarHBondContact O-N 3.18Å; Q445-M449 WeakPolarHBondContact O-CB 3.24Å; Q445-M449 PolarHBondContact O-N 3.39Å; Q445-I492 HydrophobicContact CG-CD1 4.14Å
446	Y	92.2	Very high	93.4	Very high	27 Å²	27	47.3 Å²	47.3	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-45.5	179.6	-175.8	-93.9	0	0	0	111.6	I440 M441 T443 H448 M449 M450 I492 F493	I440-Y446 WeakPolarHBondContact O-CB 3.46Å; M441-Y446 VanDerWaalsContact CA-CD1 3.44Å; M441-Y446 HydrophobicContact CB-CD1 3.98Å; M441-Y446 HydrophobicContact CB-CE1 3.94Å; M441-Y446 HydrophobicContact CG-CD1 4.1Å; M441-Y446 HydrophobicContact CG-CE1 3.65Å; M441-Y446 WeakPolarHBondContact O-CD1 3.47Å; M441-Y446 HydrophobicContact SD-CE1 4.48Å; T443-Y446 PolarHBondContact O-N 3.36Å; T443-Y446 VanDerWaalsContact O-N 3.09Å; T443-Y446 WeakPolarHBondContact OG1-CB 3.35Å; T443-Y446 PolarHBondContact OG1-N 3.34Å; Y446-H448 PolarHBondContact O-N 2.68Å; Y446-M449 HydrophobicContact CD2-CE 4.19Å; Y446-M449 PolarHBondContact O-N 3.14Å; Y446-M450 HydrophobicContact CE1-CB 4.4Å; Y446-M450 WeakPolarHBondContact O-CB 3.43Å; Y446-M450 PolarHBondContact O-N 3.19Å; Y446-I492 HydrophobicContact CD2-CD1 4.35Å; Y446-I492 HydrophobicContact CD2-CG2 3.93Å; Y446-I492 HydrophobicContact CE2-CG2 4.35Å; Y446-F493 HydrophobicContact CD2-CE2 4.26Å; Y446-F493 HydrophobicContact CD2-CZ 4.25Å; Y446-F493 AromaticContact CE2-CE2 3.53Å; Y446-F493 HydrophobicContact CE2-CE2 3.53Å; Y446-F493 AromaticContact CE2-CZ 3.6Å; Y446-F493 HydrophobicContact CE2-CZ 3.6Å; Y446-F493 AromaticContact CZ-CZ 3.93Å
447	V	90.9	Very high	93.2	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-48.9	179.7	175.8	0	0	0	0	110.6	T98 M441 T443 P444 M450 T451	T98-V447 HydrophobicContact CG2-CB 4.42Å; T98-V447 HydrophobicContact CG2-CG1 4.18Å; T98-V447 HydrophobicContact CG2-CG2 4.45Å; M441-V447 WeakPolarHBondContact O-CG2 3.26Å; T443-V447 WeakPolarHBondContact O-CG2 3.34Å; T443-V447 PolarHBondContact O-N 2.84Å; P444-V447 PolarHBondContact O-N 2.99Å; V447-M450 PolarHBondContact O-N 3.13Å; V447-T451 VanDerWaalsContact O-CB 3.23Å; V447-T451 WeakPolarHBondContact O-CB 3.37Å; V447-T451 PolarHBondContact O-N 3.18Å; V447-T451 PolarHBondContact O-OG1 3.42Å
448	H	90.8	Very high	92.9	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.31	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-48.2	178.9	-179.9	63.6	0	0	0	111.6	T93 E94 P444 Y446 M450 T451 W452	T93-H448 PolarHBondContact O-ND1 3.34Å; E94-H448 WeakPolarHBondContact CG-CE1 3.08Å; P444-H448 WeakPolarHBondContact O-CB 3.41Å; P444-H448 PolarHBondContact O-N 3.08Å; Y446-H448 PolarHBondContact O-N 2.68Å; H448-M450 VanDerWaalsContact C-N 3.33Å; H448-M450 PolarHBondContact O-N 3.24Å; H448-T451 PolarHBondContact O-N 3.13Å; H448-W452 WeakPolarHBondContact O-CB 3.47Å; H448-W452 PolarHBondContact O-N 3.07Å
449	M	91.6	Very high	92.7	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.059	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-44.8	178.6	-179.6	171.8	51.5	0	0	111.8	Q445 Y446 L453 M485 Q488 T489 I492	Q445-M449 WeakPolarHBondContact O-CB 3.24Å; Q445-M449 PolarHBondContact O-N 3.39Å; Y446-M449 HydrophobicContact CD2-CE 4.19Å; Y446-M449 PolarHBondContact O-N 3.14Å; M449-L453 VanDerWaalsContact O-CB 3.23Å; M449-L453 WeakPolarHBondContact O-CB 3.29Å; M449-L453 PolarHBondContact O-N 2.92Å; M449-M485 HydrophobicContact CG-CE 3.86Å; M449-M485 WeakPolarHBondContact O-CE 3.36Å; M449-Q488 HydrophobicContact SD-CB 3.66Å; M449-T489 HydrophobicContact CE-CG2 3.94Å; M449-T489 HydrophobicContact CG-CG2 3.78Å; M449-T489 HydrophobicContact SD-CG2 3.64Å; M449-I492 HydrophobicContact CE-CD1 4.14Å; M449-I492 HydrophobicContact CE-CG2 4.26Å
450	M	91.4	Very high	92.5	Very high	43 Å²	43	39.2 Å²	39.2	21%	0.212	21%	0.208	C	C	.	.	H	α-helix	trans	-74.2	-35.3	-178.1	-153.4	60.5	175.3	0	0	112.5	Y446 V447 H448 L453 Q454 T489	Y446-M450 HydrophobicContact CE1-CB 4.4Å; Y446-M450 WeakPolarHBondContact O-CB 3.43Å; Y446-M450 PolarHBondContact O-N 3.19Å; V447-M450 PolarHBondContact O-N 3.13Å; H448-M450 VanDerWaalsContact C-N 3.33Å; H448-M450 PolarHBondContact O-N 3.24Å; M450-L453 PolarHBondContact O-N 3.06Å; M450-L453 HydrophobicContact SD-CD2 4.01Å; M450-Q454 WeakPolarHBondContact O-CB 3.3Å; M450-Q454 VanDerWaalsContact O-CG 3.28Å; M450-Q454 WeakPolarHBondContact O-CG 3.49Å; M450-Q454 PolarHBondContact O-N 3.49Å; M450-T489 HydrophobicContact SD-CG2 4.41Å
451	T	91	Very high	92.2	Very high	31 Å²	31	43 Å²	43	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-46.9	175.2	-58.1	0	0	0	0	110.8	T93 I96 V447 H448 Q454 A455	T93-T451 HydrophobicContact CG2-CG2 3.91Å; I96-T451 HydrophobicContact CD1-CG2 3.54Å; V447-T451 VanDerWaalsContact O-CB 3.23Å; V447-T451 WeakPolarHBondContact O-CB 3.37Å; V447-T451 PolarHBondContact O-N 3.18Å; V447-T451 PolarHBondContact O-OG1 3.42Å; H448-T451 PolarHBondContact O-N 3.13Å; T451-Q454 PolarHBondContact O-N 3.15Å; T451-A455 WeakPolarHBondContact O-CB 3.19Å; T451-A455 PolarHBondContact O-N 3.34Å
452	W	94	Very high	91.8	Very high	7 Å²	7	45 Å²	45	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-44.8	175.6	177.3	-128.8	0	0	0	111.7	Y86 T89 K90 T93 H448 Q454 A455 L456 L459 E481 M485	Y86-W452 AromaticContact CD2-CH2 3.8Å; Y86-W452 HydrophobicContact CD2-CH2 3.8Å; Y86-W452 HydrophobicContact CD2-CZ2 4.02Å; Y86-W452 HydrophobicContact CE1-CZ2 4.4Å; Y86-W452 AromaticContact CE2-CH2 3.62Å; Y86-W452 HydrophobicContact CE2-CH2 3.62Å; Y86-W452 AromaticContact CE2-CZ2 3.34Å; Y86-W452 HydrophobicContact CE2-CZ2 3.34Å; Y86-W452 HydrophobicContact CG-CH2 4.35Å; Y86-W452 AromaticContact CZ-CH2 3.97Å; Y86-W452 AromaticContact CZ-CZ2 3.54Å; T89-W452 HydrophobicContact CG2-CZ3 4.11Å; K90-W452 HydrophobicContact CB-CE3 4.08Å; K90-W452 HydrophobicContact CB-CH2 3.83Å; K90-W452 HydrophobicContact CB-CZ2 4.34Å; K90-W452 HydrophobicContact CB-CZ3 3.68Å; K90-W452 HydrophobicContact CD-CD2 4.46Å; K90-W452 HydrophobicContact CD-CH2 4.19Å; K90-W452 HydrophobicContact CD-CZ2 3.85Å; K90-W452 HydrophobicContact CG-CD2 4.14Å; K90-W452 HydrophobicContact CG-CE3 4.09Å; K90-W452 HydrophobicContact CG-CH2 4.18Å; K90-W452 HydrophobicContact CG-CZ2 4.2Å; K90-W452 HydrophobicContact CG-CZ3 4.11Å; T93-W452 HydrophobicContact CG2-CE3 4.19Å; H448-W452 WeakPolarHBondContact O-CB 3.47Å; H448-W452 PolarHBondContact O-N 3.07Å; W452-Q454 VanDerWaalsContact C-N 3.27Å; W452-Q454 PolarHBondContact O-N 3.25Å; W452-A455 HydrophobicContact CE3-CB 4.16Å; W452-A455 HydrophobicContact CZ3-CB 4.41Å; W452-A455 PolarHBondContact O-N 2.7Å; W452-L456 HydrophobicContact CD2-CB 4.41Å; W452-L456 HydrophobicContact CH2-CB 4.34Å; W452-L456 HydrophobicContact CH2-CD1 4.08Å; W452-L456 HydrophobicContact CZ2-CB 4.09Å; W452-L456 HydrophobicContact CZ2-CD1 3.81Å; W452-L456 HydrophobicContact CZ2-CD2 4.22Å; W452-L456 HydrophobicContact CZ2-CG 4.26Å; W452-L456 VanDerWaalsContact O-CB 3.26Å; W452-L456 WeakPolarHBondContact O-CB 3.2Å; W452-L456 PolarHBondContact O-N 3.25Å; W452-L459 HydrophobicContact CH2-CD1 4.39Å; W452-E481 PolarHBondContact NE1-OE1 3.42Å; W452-M485 HydrophobicContact CB-CE 4.4Å; W452-M485 VanDerWaalsContact CD1-SD 3.54Å; W452-M485 HydrophobicContact CG-CE 4.31Å
453	L	93.2	Very high	91.3	Very high	18 Å²	18	45 Å²	45	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-39.8	178.2	-176.1	65.1	0	0	0	112.4	M449 M450 T457 R482 M485 T489	M449-L453 VanDerWaalsContact O-CB 3.23Å; M449-L453 WeakPolarHBondContact O-CB 3.29Å; M449-L453 PolarHBondContact O-N 2.92Å; M450-L453 PolarHBondContact O-N 3.06Å; M450-L453 HydrophobicContact SD-CD2 4.01Å; L453-T457 WeakPolarHBondContact O-CB 3.15Å; L453-T457 PolarHBondContact O-N 2.72Å; L453-T457 VanDerWaalsContact O-N 3.08Å; L453-T457 PolarHBondContact O-OG1 3.28Å; L453-R482 HydrophobicContact CD1-CG 3.77Å; L453-M485 HydrophobicContact CB-CE 4Å; L453-M485 HydrophobicContact CD1-CB 4.18Å; L453-M485 HydrophobicContact CD1-CE 4.5Å; L453-M485 HydrophobicContact CD1-SD 4.3Å; L453-T489 HydrophobicContact CD2-CG2 3.95Å
454	Q	90.4	Very high	90.5	Very high	92 Å²	92	48.6 Å²	48.6	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-67.3	-48.3	175.2	-74.5	176.7	-6.7	0	0	111.8	M450 T451 W452 L456 T457 V458	M450-Q454 WeakPolarHBondContact O-CB 3.3Å; M450-Q454 VanDerWaalsContact O-CG 3.28Å; M450-Q454 WeakPolarHBondContact O-CG 3.49Å; M450-Q454 PolarHBondContact O-N 3.49Å; T451-Q454 PolarHBondContact O-N 3.15Å; W452-Q454 VanDerWaalsContact C-N 3.27Å; W452-Q454 PolarHBondContact O-N 3.25Å; Q454-L456 PolarHBondContact O-N 3.01Å; Q454-T457 PolarHBondContact O-N 2.92Å; Q454-V458 WeakPolarHBondContact O-CG2 3.37Å; Q454-V458 PolarHBondContact O-N 3.18Å; Q454-V458 VanDerWaalsContact O-N 3.08Å
455	A	92.8	Very high	89.8	Confident	16 Å²	16	47.9 Å²	47.9	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-45.1	178.7	0	0	0	0	0	112	T89 T93 T451 W452 T457 V458 L459	T89-A455 HydrophobicContact CG2-CB 3.84Å; T93-A455 HydrophobicContact CG2-CB 3.78Å; T451-A455 WeakPolarHBondContact O-CB 3.19Å; T451-A455 PolarHBondContact O-N 3.34Å; W452-A455 HydrophobicContact CE3-CB 4.16Å; W452-A455 HydrophobicContact CZ3-CB 4.41Å; W452-A455 PolarHBondContact O-N 2.7Å; A455-T457 VanDerWaalsContact C-N 3.31Å; A455-T457 PolarHBondContact O-N 3.45Å; A455-V458 PolarHBondContact O-N 3.43Å; A455-L459 WeakPolarHBondContact O-CG 3.48Å; A455-L459 PolarHBondContact O-N 2.74Å
456	L	94.1	Very high	89	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-39.9	176.1	-175.8	59.5	0	0	0	111.8	Y86 W452 Q454 V458 L459 I460 W478 E481 R482 M485	Y86-L456 HydrophobicContact CD2-CD1 4.32Å; Y86-L456 HydrophobicContact CE2-CD1 4.08Å; W452-L456 HydrophobicContact CD2-CB 4.41Å; W452-L456 HydrophobicContact CH2-CB 4.34Å; W452-L456 HydrophobicContact CH2-CD1 4.08Å; W452-L456 HydrophobicContact CZ2-CB 4.09Å; W452-L456 HydrophobicContact CZ2-CD1 3.81Å; W452-L456 HydrophobicContact CZ2-CD2 4.22Å; W452-L456 HydrophobicContact CZ2-CG 4.26Å; W452-L456 VanDerWaalsContact O-CB 3.26Å; W452-L456 WeakPolarHBondContact O-CB 3.2Å; W452-L456 PolarHBondContact O-N 3.25Å; Q454-L456 PolarHBondContact O-N 3.01Å; L456-V458 PolarHBondContact O-N 3.28Å; L456-L459 PolarHBondContact O-N 3.24Å; L456-I460 HydrophobicContact CD1-CD1 4.44Å; L456-I460 HydrophobicContact CG-CD1 4.08Å; L456-I460 WeakPolarHBondContact O-CD1 3.46Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.19Å; L456-I460 PolarHBondContact O-N 3.4Å; L456-W478 HydrophobicContact CD1-CB 3.85Å; L456-W478 HydrophobicContact CD1-CG 4.14Å; L456-E481 HydrophobicContact CD2-CB 4.21Å; L456-E481 HydrophobicContact CD2-CG 4.03Å; L456-R482 HydrophobicContact CD2-CB 3.95Å; L456-M485 HydrophobicContact CD2-SD 4.37Å
457	T	92.7	Very high	88.3	Confident	28 Å²	28	53.6 Å²	53.6	17%	0.172	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-43.6	175.5	-59.7	0	0	0	0	111.2	L453 Q454 A455 I460 E461 R482	L453-T457 WeakPolarHBondContact O-CB 3.15Å; L453-T457 PolarHBondContact O-N 2.72Å; L453-T457 VanDerWaalsContact O-N 3.08Å; L453-T457 PolarHBondContact O-OG1 3.28Å; Q454-T457 PolarHBondContact O-N 2.92Å; A455-T457 VanDerWaalsContact C-N 3.31Å; A455-T457 PolarHBondContact O-N 3.45Å; T457-I460 PolarHBondContact O-N 3.42Å; T457-E461 WeakPolarHBondContact O-CG 3.34Å; T457-E461 PolarHBondContact O-N 2.83Å; T457-R482 PolarHBondContact OG1-NE 3.5Å
458	V	90.7	Very high	88.1	Confident	28 Å²	28	54.9 Å²	54.9	17%	0.17	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-42	176.4	173.2	0	0	0	0	111.6	Q454 A455 L456 E461 Q462	Q454-V458 WeakPolarHBondContact O-CG2 3.37Å; Q454-V458 PolarHBondContact O-N 3.18Å; Q454-V458 VanDerWaalsContact O-N 3.08Å; A455-V458 PolarHBondContact O-N 3.43Å; L456-V458 PolarHBondContact O-N 3.28Å; V458-E461 PolarHBondContact O-N 3.38Å; V458-Q462 HydrophobicContact CG1-CG 4.37Å; V458-Q462 VanDerWaalsContact O-CG 3.31Å; V458-Q462 WeakPolarHBondContact O-CG 3.32Å; V458-Q462 PolarHBondContact O-N 2.95Å
459	L	91.8	Very high	88	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-46.2	175.6	-70.6	179.4	0	0	0	111.4	V85 T89 W452 A455 L456 E461 Q462 M463 W478	V85-L459 HydrophobicContact CG1-CD2 3.67Å; T89-L459 HydrophobicContact CG2-CD1 4.12Å; W452-L459 HydrophobicContact CH2-CD1 4.39Å; A455-L459 WeakPolarHBondContact O-CG 3.48Å; A455-L459 PolarHBondContact O-N 2.74Å; L456-L459 PolarHBondContact O-N 3.24Å; L459-E461 PolarHBondContact O-N 2.92Å; L459-Q462 PolarHBondContact O-N 3.16Å; L459-M463 WeakPolarHBondContact O-CB 3.32Å; L459-M463 WeakPolarHBondContact O-CG 3.38Å; L459-M463 PolarHBondContact O-N 3.26Å; L459-W478 HydrophobicContact CB-CE3 4.18Å; L459-W478 HydrophobicContact CB-CZ3 3.93Å
460	I	92.6	Very high	87.8	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-49.2	176.9	-68.6	162.4	0	0	0	110.4	L456 T457 Q462 M463 Q464 V475 W478 I479 R482	L456-I460 HydrophobicContact CD1-CD1 4.44Å; L456-I460 HydrophobicContact CG-CD1 4.08Å; L456-I460 WeakPolarHBondContact O-CD1 3.46Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.19Å; L456-I460 PolarHBondContact O-N 3.4Å; T457-I460 PolarHBondContact O-N 3.42Å; I460-Q462 PolarHBondContact O-N 3.16Å; I460-M463 PolarHBondContact O-N 2.95Å; I460-Q464 HydrophobicContact CG2-CG 4.47Å; I460-Q464 VanDerWaalsContact O-CG 3.31Å; I460-Q464 WeakPolarHBondContact O-CG 3.45Å; I460-Q464 PolarHBondContact O-N 2.64Å; I460-V475 HydrophobicContact CG2-CG1 4.32Å; I460-W478 HydrophobicContact CD1-CB 4.16Å; I460-W478 HydrophobicContact CG1-CB 3.88Å; I460-W478 HydrophobicContact CG1-CE3 4.39Å; I460-I479 HydrophobicContact CD1-CG1 4.05Å; I460-I479 HydrophobicContact CG1-CG1 4.32Å; I460-I479 HydrophobicContact CG2-CD1 4.29Å; I460-I479 HydrophobicContact CG2-CG1 3.91Å; I460-R482 HydrophobicContact CD1-CB 4.11Å
461	E	89.9	Confident	87.5	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-43.2	-179.8	-74.9	176.3	178.6	0	0	112.6	T457 V458 L459	T457-E461 WeakPolarHBondContact O-CG 3.34Å; T457-E461 PolarHBondContact O-N 2.83Å; V458-E461 PolarHBondContact O-N 3.38Å; L459-E461 PolarHBondContact O-N 2.92Å
462	Q	87	Confident	87.4	Confident	105 Å²	105	58.7 Å²	58.7	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-68.9	-37.5	179.2	-69.8	176.7	2.1	0	0	112.1	V458 L459 I460	V458-Q462 HydrophobicContact CG1-CG 4.37Å; V458-Q462 VanDerWaalsContact O-CG 3.31Å; V458-Q462 WeakPolarHBondContact O-CG 3.32Å; V458-Q462 PolarHBondContact O-N 2.95Å; L459-Q462 PolarHBondContact O-N 3.16Å; I460-Q462 PolarHBondContact O-N 3.16Å
463	M	83.1	Confident	87.3	Confident	36 Å²	36	60.7 Å²	60.7	18%	0.177	32%	0.323	C	S	.	.	H	α-helix	trans	-86.6	-13.1	-172.1	-62.6	-57.2	108.6	0	0	113.7	L82 L459 I460 A465 H466 V475 W478	L82-M463 HydrophobicContact CD2-CB 4.43Å; L82-M463 HydrophobicContact CD2-CG 3.78Å; L82-M463 HydrophobicContact CD2-SD 3.42Å; L82-M463 WeakPolarHBondContact CD2-SD 3.49Å; L459-M463 WeakPolarHBondContact O-CB 3.32Å; L459-M463 WeakPolarHBondContact O-CG 3.38Å; L459-M463 PolarHBondContact O-N 3.26Å; I460-M463 PolarHBondContact O-N 2.95Å; M463-A465 PolarHBondContact O-N 2.9Å; M463-H466 PolarHBondContact O-N 2.98Å; M463-H466 PolarHBondContact O-ND1 3.36Å; M463-H466 VanDerWaalsContact O-ND1 3.1Å; M463-H466 VanDerWaalsContact SD-CE1 3.59Å; M463-V475 HydrophobicContact CB-CG2 3.8Å; M463-W478 HydrophobicContact CB-CZ3 4.19Å; M463-W478 HydrophobicContact CG-CH2 4.26Å; M463-W478 HydrophobicContact CG-CZ3 3.76Å
464	Q	76.5	Confident	87.2	Confident	123 Å²	123	60.3 Å²	60.3	58%	0.575	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.2	171	-83.4	176.9	-9	0	0	114.5	I460 H466	I460-Q464 HydrophobicContact CG2-CG 4.47Å; I460-Q464 VanDerWaalsContact O-CG 3.31Å; I460-Q464 WeakPolarHBondContact O-CG 3.45Å; I460-Q464 PolarHBondContact O-N 2.64Å; Q464-H466 VanDerWaalsContact C-N 3.28Å; Q464-H466 PolarHBondContact O-N 2.71Å
465	A	76.6	Confident	87.3	Confident	81 Å²	81	56.4 Å²	56.4	67%	0.669	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.7	173.5	0	0	0	0	0	113.3	M463	M463-A465 PolarHBondContact O-N 2.9Å
466	H	76.3	Confident	87.2	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.315	32%	0.32	S	S	.	.			trans	-79.9	139.3	179.5	-57.5	88.3	0	0	0	110.6	M463 Q464 T471	M463-H466 PolarHBondContact O-N 2.98Å; M463-H466 PolarHBondContact O-ND1 3.36Å; M463-H466 VanDerWaalsContact O-ND1 3.1Å; M463-H466 VanDerWaalsContact SD-CE1 3.59Å; Q464-H466 VanDerWaalsContact C-N 3.28Å; Q464-H466 PolarHBondContact O-N 2.71Å; H466-T471 HydrophobicContact CB-CG2 3.38Å
467	R	76.9	Confident	87.3	Confident	215 Å²	215	64.9 Å²	64.9	81%	0.811	34%	0.34	S	S	*	.			trans	-122.6	-0.9	-173.3	-65.9	-169.6	178.4	-171.3	-0.5	114.3
468	D	87.5	Confident	87.4	Confident	56 Å²	56	63.6 Å²	63.6	30%	0.299	33%	0.332	S	S	.	.	S	Bend	trans	-73	143.5	176.5	62.8	102	0	0	0	110.8	A470 T471 Q472	D468-A470 VanDerWaalsContact C-N 3.28Å; D468-A470 PolarHBondContact O-N 3.01Å; D468-T471 VanDerWaalsContact CG-OG1 3.25Å; D468-T471 PolarHBondContact O-N 2.85Å; D468-T471 WeakPolarHBondContact OD1-CB 3.45Å; D468-T471 PolarHBondContact OD1-N 3.19Å; D468-T471 PolarHBondContact OD1-OG1 2.86Å; D468-T471 VanDerWaalsContact OD2-CB 3.26Å; D468-T471 WeakPolarHBondContact OD2-CB 3.34Å; D468-T471 PolarHBondContact OD2-OG1 2.74Å; D468-T471 VanDerWaalsContact OD2-OG1 3.06Å; D468-Q472 WeakPolarHBondContact O-CG 3.37Å; D468-Q472 PolarHBondContact O-N 3.09Å
469	P	87.1	Confident	87.6	Confident	107 Å²	107	65.3 Å²	65.3	70%	0.695	34%	0.34	S	S	*	.	H	α-helix	trans	-59.9	-33.7	-174.7	-27.1	35.1	0	0	0	114.6	A473	P469-A473 PolarHBondContact O-N 3.18Å; P469-A473 VanDerWaalsContact O-N 3.09Å
470	A	87.3	Confident	87.7	Confident	41 Å²	41	70.4 Å²	70.4	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-69.5	-45.9	-177.6	0	0	0	0	0	111.4	T79 D468 A473 V474	T79-A470 HydrophobicContact CG2-CB 3.76Å; D468-A470 VanDerWaalsContact C-N 3.28Å; D468-A470 PolarHBondContact O-N 3.01Å; A470-A473 PolarHBondContact O-N 3.47Å; A470-V474 PolarHBondContact O-N 2.7Å
471	T	86.9	Confident	87.9	Confident	2 Å²	2	72 Å²	72	1%	0.012	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-40.2	173.8	-63.8	0	0	0	0	112.2	L82 H466 D468 A473 V474 V475	L82-T471 HydrophobicContact CD1-CG2 3.39Å; H466-T471 HydrophobicContact CB-CG2 3.38Å; D468-T471 VanDerWaalsContact CG-OG1 3.25Å; D468-T471 PolarHBondContact O-N 2.85Å; D468-T471 WeakPolarHBondContact OD1-CB 3.45Å; D468-T471 PolarHBondContact OD1-N 3.19Å; D468-T471 PolarHBondContact OD1-OG1 2.86Å; D468-T471 VanDerWaalsContact OD2-CB 3.26Å; D468-T471 WeakPolarHBondContact OD2-CB 3.34Å; D468-T471 PolarHBondContact OD2-OG1 2.74Å; D468-T471 VanDerWaalsContact OD2-OG1 3.06Å; T471-A473 VanDerWaalsContact C-N 3.31Å; T471-A473 PolarHBondContact O-N 2.87Å; T471-V474 WeakPolarHBondContact O-CB 3.48Å; T471-V474 PolarHBondContact O-N 2.93Å; T471-V474 VanDerWaalsContact O-N 3.12Å; T471-V475 HydrophobicContact CG2-CG2 4.42Å; T471-V475 PolarHBondContact O-N 3.33Å
472	Q	88.6	Confident	88.1	Confident	83 Å²	83	70 Å²	70	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-42.2	177.2	-76.2	-178.1	-20.3	0	0	112	D468 V474 V475 E476	D468-Q472 WeakPolarHBondContact O-CG 3.37Å; D468-Q472 PolarHBondContact O-N 3.09Å; Q472-V474 VanDerWaalsContact C-N 3.28Å; Q472-V474 PolarHBondContact O-N 3.49Å; Q472-V475 PolarHBondContact O-N 2.95Å; Q472-E476 WeakPolarHBondContact O-CB 3.37Å; Q472-E476 WeakPolarHBondContact O-CG 3.31Å; Q472-E476 PolarHBondContact O-N 3.38Å
473	A	90.8	Very high	88.4	Confident	49 Å²	49	68.9 Å²	68.9	41%	0.405	35%	0.352	S	S	.	.	H	α-helix	trans	-58.9	-39.4	175.2	0	0	0	0	0	112.2	P469 A470 T471 E476 E477	P469-A473 PolarHBondContact O-N 3.18Å; P469-A473 VanDerWaalsContact O-N 3.09Å; A470-A473 PolarHBondContact O-N 3.47Å; T471-A473 VanDerWaalsContact C-N 3.31Å; T471-A473 PolarHBondContact O-N 2.87Å; A473-E476 PolarHBondContact O-N 3.02Å; A473-E477 PolarHBondContact O-N 3.37Å; A473-E477 VanDerWaalsContact O-N 3.15Å
474	V	92	Very high	88.9	Confident	10 Å²	10	70.1 Å²	70.1	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-46.1	175.4	176.3	0	0	0	0	111.5	T79 L82 W83 A470 T471 Q472 E476 E477 W478	T79-V474 HydrophobicContact CG2-CG2 3.9Å; L82-V474 HydrophobicContact CB-CG1 3.98Å; L82-V474 HydrophobicContact CD1-CB 4.19Å; L82-V474 HydrophobicContact CD1-CG1 4.19Å; W83-V474 HydrophobicContact CD2-CG1 4.2Å; W83-V474 HydrophobicContact CZ2-CG1 3.88Å; A470-V474 PolarHBondContact O-N 2.7Å; T471-V474 WeakPolarHBondContact O-CB 3.48Å; T471-V474 PolarHBondContact O-N 2.93Å; T471-V474 VanDerWaalsContact O-N 3.12Å; Q472-V474 VanDerWaalsContact C-N 3.28Å; Q472-V474 PolarHBondContact O-N 3.49Å; V474-E476 VanDerWaalsContact C-N 3.29Å; V474-E476 PolarHBondContact O-N 3.4Å; V474-E477 WeakPolarHBondContact O-CB 3.31Å; V474-E477 PolarHBondContact O-N 3.4Å; V474-W478 HydrophobicContact CG1-CD2 4.49Å; V474-W478 HydrophobicContact CG1-CZ2 3.69Å; V474-W478 PolarHBondContact O-N 3.49Å
475	V	91.4	Very high	89.7	Confident	10 Å²	10	65 Å²	65	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-35.5	178.2	176.9	0	0	0	0	111.4	I460 M463 T471 Q472 W478 I479	I460-V475 HydrophobicContact CG2-CG1 4.32Å; M463-V475 HydrophobicContact CB-CG2 3.8Å; T471-V475 HydrophobicContact CG2-CG2 4.42Å; T471-V475 PolarHBondContact O-N 3.33Å; Q472-V475 PolarHBondContact O-N 2.95Å; V475-W478 WeakPolarHBondContact O-CB 3.16Å; V475-W478 PolarHBondContact O-N 3.48Å; V475-I479 HydrophobicContact CG1-CD1 4.09Å; V475-I479 HydrophobicContact CG1-CG1 4.49Å; V475-I479 WeakPolarHBondContact O-CG1 3.28Å; V475-I479 PolarHBondContact O-N 2.65Å
476	E	92.3	Very high	90.2	Very high	104 Å²	104	63.3 Å²	63.3	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-39.6	173.8	-76.5	175.6	-167.6	0	0	112.3	Q472 A473 V474 W478 I479 K480	Q472-E476 WeakPolarHBondContact O-CB 3.37Å; Q472-E476 WeakPolarHBondContact O-CG 3.31Å; Q472-E476 PolarHBondContact O-N 3.38Å; A473-E476 PolarHBondContact O-N 3.02Å; V474-E476 VanDerWaalsContact C-N 3.29Å; V474-E476 PolarHBondContact O-N 3.4Å; E476-W478 VanDerWaalsContact C-N 3.32Å; E476-W478 PolarHBondContact O-N 2.92Å; E476-I479 PolarHBondContact O-N 3.44Å; E476-K480 WeakPolarHBondContact O-CG 3.45Å; E476-K480 PolarHBondContact O-N 2.89Å
477	E	94.6	Very high	90.9	Very high	91 Å²	91	62.7 Å²	62.7	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-39.6	173	-68.4	-55.8	126.4	0	0	111.8	W83 A473 V474 K480 E481	W83-E477 HydrophobicContact CH2-CB 4.2Å; W83-E477 HydrophobicContact CZ2-CB 4.39Å; A473-E477 PolarHBondContact O-N 3.37Å; A473-E477 VanDerWaalsContact O-N 3.15Å; V474-E477 WeakPolarHBondContact O-CB 3.31Å; V474-E477 PolarHBondContact O-N 3.4Å; E477-K480 WeakPolarHBondContact O-CB 3.46Å; E477-K480 PolarHBondContact O-N 2.93Å; E477-K480 IonicContact OE1-NZ 2.71Å; E477-K480 PolarHBondContact OE1-NZ 2.89Å; E477-E481 PolarHBondContact O-N 3.27Å
478	W	95.2	Very high	91.6	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-38.6	174.9	-61.7	-4.9	0	0	0	112.3	L82 W83 Y86 L456 L459 I460 M463 V474 V475 E476 E481 R482	L82-W478 HydrophobicContact CB-CH2 3.94Å; L82-W478 HydrophobicContact CB-CZ2 3.93Å; L82-W478 HydrophobicContact CD2-CH2 4.05Å; L82-W478 WeakPolarHBondContact O-CZ2 3.31Å; W83-W478 AromaticContact CE3-NE1 3.7Å; W83-W478 AromaticContact CH2-CD1 3.8Å; W83-W478 AromaticContact CH2-NE1 3.5Å; W83-W478 AromaticContact CZ3-CD1 3.82Å; W83-W478 AromaticContact CZ3-NE1 3.24Å; Y86-W478 AromaticContact CD2-CD1 3.73Å; Y86-W478 HydrophobicContact CD2-CD2 4.22Å; Y86-W478 AromaticContact CD2-CE2 3.71Å; Y86-W478 HydrophobicContact CD2-CG 4.25Å; Y86-W478 HydrophobicContact CD2-CZ2 4.25Å; Y86-W478 AromaticContact CD2-NE1 3.38Å; Y86-W478 AromaticContact CE2-CD1 3.89Å; Y86-W478 AromaticContact CE2-NE1 3.96Å; Y86-W478 HydrophobicContact CG-CZ2 4.42Å; Y86-W478 AromaticContact CG-NE1 3.98Å; L456-W478 HydrophobicContact CD1-CB 3.85Å; L456-W478 HydrophobicContact CD1-CG 4.14Å; L459-W478 HydrophobicContact CB-CE3 4.18Å; L459-W478 HydrophobicContact CB-CZ3 3.93Å; I460-W478 HydrophobicContact CD1-CB 4.16Å; I460-W478 HydrophobicContact CG1-CB 3.88Å; I460-W478 HydrophobicContact CG1-CE3 4.39Å; M463-W478 HydrophobicContact CB-CZ3 4.19Å; M463-W478 HydrophobicContact CG-CH2 4.26Å; M463-W478 HydrophobicContact CG-CZ3 3.76Å; V474-W478 HydrophobicContact CG1-CD2 4.49Å; V474-W478 HydrophobicContact CG1-CZ2 3.69Å; V474-W478 PolarHBondContact O-N 3.49Å; V475-W478 WeakPolarHBondContact O-CB 3.16Å; V475-W478 PolarHBondContact O-N 3.48Å; E476-W478 VanDerWaalsContact C-N 3.32Å; E476-W478 PolarHBondContact O-N 2.92Å; W478-E481 PolarHBondContact O-N 3.24Å; W478-R482 WeakPolarHBondContact O-CB 3.49Å; W478-R482 PolarHBondContact O-N 2.75Å
479	I	94.3	Very high	91.8	Very high	64 Å²	64	55.6 Å²	55.6	33%	0.328	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-44.1	173.3	-69.8	166.4	0	0	0	109.9	I460 V475 E476 E481 R482 E483	I460-I479 HydrophobicContact CD1-CG1 4.05Å; I460-I479 HydrophobicContact CG1-CG1 4.32Å; I460-I479 HydrophobicContact CG2-CD1 4.29Å; I460-I479 HydrophobicContact CG2-CG1 3.91Å; V475-I479 HydrophobicContact CG1-CD1 4.09Å; V475-I479 HydrophobicContact CG1-CG1 4.49Å; V475-I479 WeakPolarHBondContact O-CG1 3.28Å; V475-I479 PolarHBondContact O-N 2.65Å; E476-I479 PolarHBondContact O-N 3.44Å; I479-E481 PolarHBondContact O-N 2.93Å; I479-R482 WeakPolarHBondContact O-CB 3.26Å; I479-R482 PolarHBondContact O-N 3.08Å; I479-E483 HydrophobicContact CG2-CG 4.39Å; I479-E483 WeakPolarHBondContact O-CG 3.47Å; I479-E483 PolarHBondContact O-N 3.01Å
480	K	95.8	Very high	92.1	Very high	115 Å²	115	51.3 Å²	51.3	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-44.8	175.8	-71	171.8	-167.5	167.6	0	111.8	E476 E477 R482 E483 A484	E476-K480 WeakPolarHBondContact O-CG 3.45Å; E476-K480 PolarHBondContact O-N 2.89Å; E477-K480 WeakPolarHBondContact O-CB 3.46Å; E477-K480 PolarHBondContact O-N 2.93Å; E477-K480 IonicContact OE1-NZ 2.71Å; E477-K480 PolarHBondContact OE1-NZ 2.89Å; K480-R482 PolarHBondContact O-N 3.42Å; K480-E483 PolarHBondContact O-N 3.48Å; K480-A484 WeakPolarHBondContact O-CB 3.4Å; K480-A484 PolarHBondContact O-N 2.96Å
481	E	95.8	Very high	92.4	Very high	45 Å²	45	52.9 Å²	52.9	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-47.9	174.6	-178.4	179.7	-178.9	0	0	110.8	Y86 K90 W452 L456 E477 W478 I479 E483 A484 M485	Y86-E481 VanDerWaalsContact CE2-OE2 3.24Å; Y86-E481 WeakPolarHBondContact CE2-OE2 3.13Å; Y86-E481 VanDerWaalsContact CZ-OE2 3.29Å; Y86-E481 PolarHBondContact OH-OE1 2.91Å; Y86-E481 PolarHBondContact OH-OE2 3.03Å; K90-E481 IonicContact NZ-OE1 2.79Å; K90-E481 PolarHBondContact NZ-OE1 3.28Å; W452-E481 PolarHBondContact NE1-OE1 3.42Å; L456-E481 HydrophobicContact CD2-CB 4.21Å; L456-E481 HydrophobicContact CD2-CG 4.03Å; E477-E481 PolarHBondContact O-N 3.27Å; W478-E481 PolarHBondContact O-N 3.24Å; I479-E481 PolarHBondContact O-N 2.93Å; E481-E483 VanDerWaalsContact C-N 3.33Å; E481-E483 PolarHBondContact O-N 3.27Å; E481-A484 PolarHBondContact O-N 3.02Å; E481-A484 VanDerWaalsContact O-N 3.16Å; E481-M485 HydrophobicContact CG-SD 4.38Å; E481-M485 WeakPolarHBondContact O-CG 3.36Å; E481-M485 PolarHBondContact O-N 2.9Å
482	R	94.3	Very high	92.8	Very high	63 Å²	63	54.6 Å²	54.6	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-44.2	178	-178.3	-179.1	-179.2	-85	5.3	112.3	L453 L456 T457 I460 W478 I479 K480 M485 K486	L453-R482 HydrophobicContact CD1-CG 3.77Å; L456-R482 HydrophobicContact CD2-CB 3.95Å; T457-R482 PolarHBondContact OG1-NE 3.5Å; I460-R482 HydrophobicContact CD1-CB 4.11Å; W478-R482 WeakPolarHBondContact O-CB 3.49Å; W478-R482 PolarHBondContact O-N 2.75Å; I479-R482 WeakPolarHBondContact O-CB 3.26Å; I479-R482 PolarHBondContact O-N 3.08Å; K480-R482 PolarHBondContact O-N 3.42Å; R482-M485 PolarHBondContact O-N 2.87Å; R482-K486 PolarHBondContact O-N 3.19Å
483	E	92.6	Very high	93.1	Very high	83 Å²	83	52 Å²	52	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-67.6	-37.6	177.5	-66.4	-54	124.6	0	0	111.7	I479 K480 E481 M485 K486 P487	I479-E483 HydrophobicContact CG2-CG 4.39Å; I479-E483 WeakPolarHBondContact O-CG 3.47Å; I479-E483 PolarHBondContact O-N 3.01Å; K480-E483 PolarHBondContact O-N 3.48Å; E481-E483 VanDerWaalsContact C-N 3.33Å; E481-E483 PolarHBondContact O-N 3.27Å; E483-M485 VanDerWaalsContact C-N 3.3Å; E483-M485 PolarHBondContact O-N 3.07Å; E483-K486 PolarHBondContact O-N 3.37Å; E483-K486 WeakPolarHBondContact OE1-CE 3.32Å; E483-K486 IonicContact OE1-NZ 3.76Å; E483-K486 PolarHBondContact OE1-NZ 2.56Å; E483-K486 WeakPolarHBondContact OE2-CD 3.41Å; E483-K486 WeakPolarHBondContact OE2-CE 3.41Å; E483-K486 IonicContact OE2-NZ 3.51Å; E483-K486 PolarHBondContact OE2-NZ 2.87Å; E483-P487 WeakPolarHBondContact O-CD 3.16Å
484	A	93.8	Very high	93.4	Very high	61 Å²	61	50.3 Å²	50.3	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-27.5	175	0	0	0	0	0	113.5	K480 E481	K480-A484 WeakPolarHBondContact O-CB 3.4Å; K480-A484 PolarHBondContact O-N 2.96Å; E481-A484 PolarHBondContact O-N 3.02Å; E481-A484 VanDerWaalsContact O-N 3.16Å
485	M	92.9	Very high	93.6	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-75	-25.3	175.1	-72.2	-179.5	73.4	0	0	113.3	M449 W452 L453 L456 E481 R482 E483 Q488 T489	M449-M485 HydrophobicContact CG-CE 3.86Å; M449-M485 WeakPolarHBondContact O-CE 3.36Å; W452-M485 HydrophobicContact CB-CE 4.4Å; W452-M485 VanDerWaalsContact CD1-SD 3.54Å; W452-M485 HydrophobicContact CG-CE 4.31Å; L453-M485 HydrophobicContact CB-CE 4Å; L453-M485 HydrophobicContact CD1-CB 4.18Å; L453-M485 HydrophobicContact CD1-CE 4.5Å; L453-M485 HydrophobicContact CD1-SD 4.3Å; L456-M485 HydrophobicContact CD2-SD 4.37Å; E481-M485 HydrophobicContact CG-SD 4.38Å; E481-M485 WeakPolarHBondContact O-CG 3.36Å; E481-M485 PolarHBondContact O-N 2.9Å; R482-M485 PolarHBondContact O-N 2.87Å; E483-M485 VanDerWaalsContact C-N 3.3Å; E483-M485 PolarHBondContact O-N 3.07Å; M485-Q488 WeakPolarHBondContact O-CB 3.33Å; M485-Q488 PolarHBondContact O-N 2.8Å; M485-Q488 VanDerWaalsContact O-N 3.15Å; M485-T489 PolarHBondContact O-N 3.31Å; M485-T489 VanDerWaalsContact O-N 3.16Å
486	K	88.9	Confident	93.8	Very high	46 Å²	46	54.6 Å²	54.6	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-53.4	-175.8	-78.4	-178.2	-173.7	166.4	0	112.5	R482 E483 Q488 T489 K490 Y504	R482-K486 PolarHBondContact O-N 3.19Å; E483-K486 PolarHBondContact O-N 3.37Å; E483-K486 WeakPolarHBondContact OE1-CE 3.32Å; E483-K486 IonicContact OE1-NZ 3.76Å; E483-K486 PolarHBondContact OE1-NZ 2.56Å; E483-K486 WeakPolarHBondContact OE2-CD 3.41Å; E483-K486 WeakPolarHBondContact OE2-CE 3.41Å; E483-K486 IonicContact OE2-NZ 3.51Å; E483-K486 PolarHBondContact OE2-NZ 2.87Å; K486-Q488 PolarHBondContact O-N 3.49Å; K486-T489 PolarHBondContact O-N 3.15Å; K486-T489 VanDerWaalsContact O-N 3.13Å; K486-T489 PolarHBondContact O-OG1 3.41Å; K486-K490 PolarHBondContact O-N 3.18Å; K486-Y504 VanDerWaalsContact C-CE1 3.48Å; K486-Y504 HydrophobicContact CB-CD1 3.85Å; K486-Y504 HydrophobicContact CB-CE1 3.76Å; K486-Y504 HydrophobicContact CB-CG 4.47Å; K486-Y504 HydrophobicContact CD-CG 4.47Å; K486-Y504 HydrophobicContact CG-CD1 4.25Å; K486-Y504 HydrophobicContact CG-CG 4.49Å; K486-Y504 WeakPolarHBondContact O-CD1 3.36Å; K486-Y504 WeakPolarHBondContact O-CE1 3.36Å
487	P	90.9	Very high	94	Very high	55 Å²	55	49.6 Å²	49.6	36%	0.357	26%	0.257	S	S	.	.	H	α-helix	trans	-55.6	-39.8	177.9	-25.6	34.8	0	0	0	112.9	E483 T489 K490 D491	E483-P487 WeakPolarHBondContact O-CD 3.16Å; P487-T489 VanDerWaalsContact C-N 3.33Å; P487-T489 PolarHBondContact O-N 3.43Å; P487-K490 WeakPolarHBondContact O-CA 3.35Å; P487-K490 WeakPolarHBondContact O-CB 3.36Å; P487-K490 PolarHBondContact O-N 3.22Å; P487-D491 WeakPolarHBondContact O-CB 3.47Å; P487-D491 PolarHBondContact O-N 3.19Å
488	Q	91.1	Very high	94.1	Very high	111 Å²	111	45.3 Å²	45.3	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-40.5	179.5	-54.1	178.3	7.2	0	0	112.1	M449 M485 K486 K490 I492	M449-Q488 HydrophobicContact SD-CB 3.66Å; M485-Q488 WeakPolarHBondContact O-CB 3.33Å; M485-Q488 PolarHBondContact O-N 2.8Å; M485-Q488 VanDerWaalsContact O-N 3.15Å; K486-Q488 PolarHBondContact O-N 3.49Å; Q488-K490 PolarHBondContact O-N 3.17Å; Q488-I492 PolarHBondContact O-N 2.96Å
489	T	90.6	Very high	94.2	Very high	12 Å²	12	45.7 Å²	45.7	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-23.8	175.7	64.5	0	0	0	0	113.9	M449 M450 L453 M485 K486 P487	M449-T489 HydrophobicContact CE-CG2 3.94Å; M449-T489 HydrophobicContact CG-CG2 3.78Å; M449-T489 HydrophobicContact SD-CG2 3.64Å; M450-T489 HydrophobicContact SD-CG2 4.41Å; L453-T489 HydrophobicContact CD2-CG2 3.95Å; M485-T489 PolarHBondContact O-N 3.31Å; M485-T489 VanDerWaalsContact O-N 3.16Å; K486-T489 PolarHBondContact O-N 3.15Å; K486-T489 VanDerWaalsContact O-N 3.13Å; K486-T489 PolarHBondContact O-OG1 3.41Å; P487-T489 VanDerWaalsContact C-N 3.33Å; P487-T489 PolarHBondContact O-N 3.43Å
490	K	93.8	Very high	94.3	Very high	17 Å²	17	42.9 Å²	42.9	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-83.4	-51.5	176.3	-179.6	-168.2	72.4	75	0	110.7	T193 K486 P487 Q488 I492 F493 A495 Q496 G498 Y504	T193-K490 HydrophobicContact CG2-CD 3.87Å; K486-K490 PolarHBondContact O-N 3.18Å; P487-K490 WeakPolarHBondContact O-CA 3.35Å; P487-K490 WeakPolarHBondContact O-CB 3.36Å; P487-K490 PolarHBondContact O-N 3.22Å; Q488-K490 PolarHBondContact O-N 3.17Å; K490-I492 VanDerWaalsContact C-N 3.26Å; K490-I492 PolarHBondContact O-N 3.32Å; K490-F493 PolarHBondContact O-N 3Å; K490-F493 VanDerWaalsContact O-N 3.15Å; K490-A495 PolarHBondContact NZ-O 2.85Å; K490-Q496 PolarHBondContact NZ-O 3.23Å; K490-Q496 VanDerWaalsContact NZ-O 3.15Å; K490-G498 WeakPolarHBondContact O-CA 3.4Å; K490-Y504 HydrophobicContact CB-CD1 4.5Å; K490-Y504 HydrophobicContact CB-CE1 3.83Å; K490-Y504 HydrophobicContact CD-CE1 4.4Å
491	D	93.9	Very high	94.3	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	21%	0.208	S	C	.	.	H	α-helix	trans	-68.8	-24.1	-167.1	-65.2	-15.5	0	0	0	113.1	P487 F493	P487-D491 WeakPolarHBondContact O-CB 3.47Å; P487-D491 PolarHBondContact O-N 3.19Å; D491-F493 PolarHBondContact O-N 3.32Å; D491-F493 VanDerWaalsContact O-N 3.15Å
492	I	94.9	Very high	94.3	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.195	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.2	174.3	-160.4	171.2	0	0	0	113.4	I440 Q445 Y446 M449 Q488 K490	I440-I492 HydrophobicContact CG2-CD1 4.33Å; I440-I492 HydrophobicContact CG2-CG1 3.94Å; I440-I492 HydrophobicContact CG2-CG2 4.17Å; Q445-I492 HydrophobicContact CG-CD1 4.14Å; Y446-I492 HydrophobicContact CD2-CD1 4.35Å; Y446-I492 HydrophobicContact CD2-CG2 3.93Å; Y446-I492 HydrophobicContact CE2-CG2 4.35Å; M449-I492 HydrophobicContact CE-CD1 4.14Å; M449-I492 HydrophobicContact CE-CG2 4.26Å; Q488-I492 PolarHBondContact O-N 2.96Å; K490-I492 VanDerWaalsContact C-N 3.26Å; K490-I492 PolarHBondContact O-N 3.32Å
493	F	95.9	Very high	94.2	Very high	28 Å²	28	39.8 Å²	39.8	12%	0.123	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-80.6	173.2	-64.3	-83.6	0	0	0	111.3	E437 I440 M441 Y446 K490 D491	E437-F493 HydrophobicContact CB-CD1 4.31Å; E437-F493 HydrophobicContact CB-CE1 4.04Å; E437-F493 HydrophobicContact CG-CD1 3.91Å; E437-F493 HydrophobicContact CG-CE1 4.1Å; I440-F493 HydrophobicContact CB-CD1 4.24Å; I440-F493 HydrophobicContact CB-CE1 4.09Å; I440-F493 HydrophobicContact CD1-CD1 3.99Å; I440-F493 HydrophobicContact CG2-CD1 3.94Å; I440-F493 HydrophobicContact CG2-CE1 3.81Å; I440-F493 HydrophobicContact CG2-CG 4.48Å; I440-F493 HydrophobicContact CG2-CZ 4.26Å; M441-F493 HydrophobicContact CG-CE1 4.02Å; M441-F493 HydrophobicContact CG-CZ 3.83Å; Y446-F493 HydrophobicContact CD2-CE2 4.26Å; Y446-F493 HydrophobicContact CD2-CZ 4.25Å; Y446-F493 AromaticContact CE2-CE2 3.53Å; Y446-F493 HydrophobicContact CE2-CE2 3.53Å; Y446-F493 AromaticContact CE2-CZ 3.6Å; Y446-F493 HydrophobicContact CE2-CZ 3.6Å; Y446-F493 AromaticContact CZ-CZ 3.93Å; K490-F493 PolarHBondContact O-N 3Å; K490-F493 VanDerWaalsContact O-N 3.15Å; D491-F493 PolarHBondContact O-N 3.32Å; D491-F493 VanDerWaalsContact O-N 3.15Å
494	N	96.8	Very high	94	Very high	14 Å²	14	38.7 Å²	38.7	8%	0.075	20%	0.203	C	C	.	.			trans	-126	126.8	178.2	173.1	-91.6	0	0	0	107.1	D165 V168 Q496 F497 G498	D165-N494 PolarHBondContact O-ND2 2.86Å; V168-N494 HydrophobicContact CG1-CB 3.69Å; V168-N494 VanDerWaalsContact CG1-CG 3.49Å; N494-Q496 PolarHBondContact O-N 3.41Å; N494-Q496 PolarHBondContact OD1-N 2.96Å; N494-Q496 PolarHBondContact OD1-OE1 3.49Å; N494-F497 PolarHBondContact OD1-N 3.18Å; N494-G498 WeakPolarHBondContact O-CA 3.33Å; N494-G498 PolarHBondContact O-N 2.96Å
495	A	95	Very high	93.5	Very high	59 Å²	59	41.8 Å²	41.8	49%	0.488	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.7	-171.8	0	0	0	0	0	112.6	K490	K490-A495 PolarHBondContact NZ-O 2.85Å
496	Q	96.3	Very high	93.6	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-55.7	-177.5	-65	76.3	5.3	0	0	110.9	F166 Y195 K490 N494	F166-Q496 HydrophobicContact CD2-CG 4.24Å; F166-Q496 HydrophobicContact CE2-CG 4.42Å; Y195-Q496 HydrophobicContact CE1-CG 4.12Å; Y195-Q496 HydrophobicContact CE2-CB 4Å; Y195-Q496 HydrophobicContact CE2-CG 4.48Å; K490-Q496 PolarHBondContact NZ-O 3.23Å; K490-Q496 VanDerWaalsContact NZ-O 3.15Å; N494-Q496 PolarHBondContact O-N 3.41Å; N494-Q496 PolarHBondContact OD1-N 2.96Å; N494-Q496 PolarHBondContact OD1-OE1 3.49Å
497	F	97.2	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-10.6	-167.3	-59.3	-78.5	0	0	0	114.2	F166 V168 L171 L180 K182 T193 Y195 N494	F166-F497 VanDerWaalsContact O-CD2 3.29Å; F166-F497 WeakPolarHBondContact O-CD2 3.37Å; F166-F497 VanDerWaalsContact O-CE2 3.22Å; F166-F497 WeakPolarHBondContact O-CE2 3.49Å; V168-F497 HydrophobicContact CG1-CB 4.42Å; V168-F497 HydrophobicContact CG2-CB 3.61Å; V168-F497 HydrophobicContact CG2-CG 4.31Å; L171-F497 HydrophobicContact CD1-CD1 3.79Å; L171-F497 HydrophobicContact CD1-CD2 3.7Å; L171-F497 HydrophobicContact CD1-CE1 3.84Å; L171-F497 HydrophobicContact CD1-CE2 3.78Å; L171-F497 HydrophobicContact CD1-CG 3.73Å; L171-F497 HydrophobicContact CD1-CZ 3.85Å; L171-F497 HydrophobicContact CD2-CB 4Å; L171-F497 HydrophobicContact CD2-CD1 3.48Å; L171-F497 VanDerWaalsContact CD2-CD1 3.48Å; L171-F497 HydrophobicContact CD2-CE1 4.09Å; L171-F497 HydrophobicContact CD2-CG 3.77Å; L171-F497 HydrophobicContact CG-CD1 4.29Å; L171-F497 HydrophobicContact CG-CG 4.39Å; L180-F497 HydrophobicContact CD2-CE1 4.49Å; L180-F497 HydrophobicContact CD2-CE2 4.23Å; L180-F497 HydrophobicContact CD2-CZ 3.72Å; L180-F497 HydrophobicContact CG-CE1 4.26Å; L180-F497 HydrophobicContact CG-CZ 3.95Å; K182-F497 HydrophobicContact CB-CD1 4.45Å; K182-F497 HydrophobicContact CD-CB 4.37Å; K182-F497 WeakPolarHBondContact CD-O 3.49Å; K182-F497 WeakPolarHBondContact CE-O 3.16Å; K182-F497 PolarHBondContact NZ-O 3.08Å; T193-F497 WeakPolarHBondContact O-CD1 3.4Å; T193-F497 WeakPolarHBondContact O-CE1 3.33Å; Y195-F497 AromaticContact CD2-CE1 3.74Å; Y195-F497 HydrophobicContact CD2-CE1 3.74Å; Y195-F497 HydrophobicContact CD2-CE2 4.45Å; Y195-F497 AromaticContact CD2-CZ 3.61Å; Y195-F497 HydrophobicContact CD2-CZ 3.61Å; Y195-F497 HydrophobicContact CE2-CE1 4.24Å; Y195-F497 HydrophobicContact CE2-CZ 4.15Å; Y195-F497 HydrophobicContact CG-CZ 4.1Å; N494-F497 PolarHBondContact OD1-N 3.18Å
498	G	96.4	Very high	94.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	20%	0.2	C	C	.	.			trans	68.6	-156.8	-178.8	0	0	0	0	0	114.9	K490 N494	K490-G498 WeakPolarHBondContact O-CA 3.4Å; N494-G498 WeakPolarHBondContact O-CA 3.33Å; N494-G498 PolarHBondContact O-N 2.96Å
499	S	96.9	Very high	94.3	Very high	8 Å²	8	35.5 Å²	35.5	6%	0.056	18%	0.178	C	C	.	.			trans	-59.3	138	-176.9	165.2	0	0	0	0	113.6	K182 E437 F501 R502	K182-S499 WeakPolarHBondContact CE-O 3.18Å; K182-S499 PolarHBondContact NZ-O 2.93Å; E437-S499 WeakPolarHBondContact OE1-CA 3.44Å; E437-S499 PolarHBondContact OE1-OG 3.06Å; E437-S499 WeakPolarHBondContact OE2-CB 3.27Å; E437-S499 PolarHBondContact OE2-OG 3.25Å; S499-F501 PolarHBondContact O-N 3.5Å; S499-F501 PolarHBondContact OG-N 3.4Å; S499-R502 PolarHBondContact OG-N 2.99Å
500	L	96.4	Very high	94.5	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.175	C	C	.	.	S	Bend	trans	-52.2	-34.5	167.6	176	58.8	0	0	0	112.1	R169 I431 E433 E437 T508 F510	R169-L500 HydrophobicContact CB-CD1 3.92Å; R169-L500 HydrophobicContact CG-CD1 4.45Å; R169-L500 WeakPolarHBondContact O-CD1 3.28Å; I431-L500 HydrophobicContact CG2-CD2 3.73Å; E433-L500 HydrophobicContact CB-CD2 4Å; E433-L500 HydrophobicContact CG-CD2 4.37Å; E437-L500 WeakPolarHBondContact OE1-CB 3.22Å; E437-L500 PolarHBondContact OE1-N 3.36Å; L500-T508 WeakPolarHBondContact O-CB 3.45Å; L500-T508 VanDerWaalsContact O-CG2 3.31Å; L500-T508 WeakPolarHBondContact O-CG2 3.44Å; L500-T508 PolarHBondContact O-OG1 2.86Å; L500-F510 HydrophobicContact CD1-CB 4.29Å; L500-F510 HydrophobicContact CD1-CD1 3.68Å; L500-F510 HydrophobicContact CD1-CD2 4.02Å; L500-F510 HydrophobicContact CD1-CE1 3.94Å; L500-F510 HydrophobicContact CD1-CE2 4.25Å; L500-F510 HydrophobicContact CD1-CG 3.73Å; L500-F510 HydrophobicContact CD1-CZ 4.21Å; L500-F510 HydrophobicContact CD2-CD1 4.22Å; L500-F510 HydrophobicContact CD2-CE1 3.72Å; L500-F510 HydrophobicContact CD2-CZ 4.04Å; L500-F510 HydrophobicContact CG-CD1 3.73Å; L500-F510 HydrophobicContact CG-CE1 3.77Å; L500-F510 HydrophobicContact CG-CG 4.3Å; L500-F510 HydrophobicContact CG-CZ 4.37Å
501	F	96.9	Very high	94.6	Very high	26 Å²	26	34.8 Å²	34.8	11%	0.114	18%	0.176	C	C	.	.	S	Bend	trans	-97.3	-21.7	-168.3	-57.5	-73	0	0	0	115.1	I431 L434 E437 S499 P507 T508 F510 S511 L514	I431-F501 HydrophobicContact CG2-CE1 4.35Å; I431-F501 HydrophobicContact CG2-CZ 3.85Å; L434-F501 HydrophobicContact CB-CE2 4.46Å; L434-F501 HydrophobicContact CB-CZ 4.25Å; L434-F501 HydrophobicContact CD1-CE2 3.59Å; L434-F501 HydrophobicContact CD1-CZ 3.64Å; E437-F501 HydrophobicContact CG-CE2 4.47Å; E437-F501 VanDerWaalsContact OE2-CD2 3.26Å; E437-F501 WeakPolarHBondContact OE2-CD2 2.99Å; S499-F501 PolarHBondContact O-N 3.5Å; S499-F501 PolarHBondContact OG-N 3.4Å; F501-P507 WeakPolarHBondContact O-CA 3.36Å; F501-T508 PolarHBondContact O-N 3.48Å; F501-T508 PolarHBondContact O-OG1 3.31Å; F501-F510 HydrophobicContact CD1-CD1 4.35Å; F501-F510 HydrophobicContact CD1-CE1 4.37Å; F501-F510 HydrophobicContact CE1-CD1 4.36Å; F501-F510 AromaticContact CE1-CE1 3.92Å; F501-F510 HydrophobicContact CE1-CE1 3.92Å; F501-S511 VanDerWaalsContact C-OG 3.3Å; F501-S511 WeakPolarHBondContact CA-OG 3.49Å; F501-S511 WeakPolarHBondContact CB-OG 3.4Å; F501-S511 PolarHBondContact O-OG 3.48Å; F501-L514 HydrophobicContact CD1-CD2 4.35Å; F501-L514 HydrophobicContact CE1-CD2 3.79Å
502	R	94.8	Very high	94.6	Very high	126 Å²	126	35.8 Å²	35.8	48%	0.475	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.5	-173.1	-70.4	-171.6	176.6	-83.2	-1.3	115.3	K182 S499 H505 N506	K182-R502 PolarHBondContact NZ-O 3.36Å; S499-R502 PolarHBondContact OG-N 2.99Å; R502-H505 PolarHBondContact NH1-O 3.34Å; R502-N506 CarbonylContact C-O 3.56Å; R502-N506 WeakPolarHBondContact CA-O 3.36Å
503	T	92.6	Very high	94.4	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	88.1	167	57.4	0	0	0	0	109.2	K182 D184 Q190 H505 N506 T508	K182-T503 HydrophobicContact CD-CG2 4.34Å; K182-T503 HydrophobicContact CG-CG2 4.19Å; D184-T503 HydrophobicContact CB-CG2 3.78Å; D184-T503 WeakPolarHBondContact CB-OG1 3.23Å; Q190-T503 HydrophobicContact CB-CG2 4.11Å; Q190-T503 VanDerWaalsContact OE1-CA 3.28Å; Q190-T503 VanDerWaalsContact OE1-CB 3.3Å; Q190-T503 VanDerWaalsContact OE1-CG2 3.25Å; T503-H505 VanDerWaalsContact C-N 3.32Å; T503-H505 PolarHBondContact O-N 3.45Å; T503-N506 PolarHBondContact N-O 3.03Å; T503-N506 PolarHBondContact O-N 3.31Å; T503-N506 WeakPolarHBondContact OG1-CB 3.23Å; T503-N506 PolarHBondContact OG1-O 3.43Å; T503-T508 HydrophobicContact CG2-CG2 3.79Å
504	Y	87.3	Confident	94.3	Very high	60 Å²	60	33.4 Å²	33.4	24%	0.235	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-87.7	-168.7	-52.3	-62.1	0	0	0	112.4	Q190 K486 K490	Q190-Y504 HydrophobicContact CG-CD2 4.17Å; Q190-Y504 HydrophobicContact CG-CE2 3.75Å; Q190-Y504 VanDerWaalsContact NE2-CZ 3.33Å; K486-Y504 VanDerWaalsContact C-CE1 3.48Å; K486-Y504 HydrophobicContact CB-CD1 3.85Å; K486-Y504 HydrophobicContact CB-CE1 3.76Å; K486-Y504 HydrophobicContact CB-CG 4.47Å; K486-Y504 HydrophobicContact CD-CG 4.47Å; K486-Y504 HydrophobicContact CG-CD1 4.25Å; K486-Y504 HydrophobicContact CG-CG 4.49Å; K486-Y504 WeakPolarHBondContact O-CD1 3.36Å; K486-Y504 WeakPolarHBondContact O-CE1 3.36Å; K490-Y504 HydrophobicContact CB-CD1 4.5Å; K490-Y504 HydrophobicContact CB-CE1 3.83Å; K490-Y504 HydrophobicContact CD-CE1 4.4Å
505	H	84.9	Confident	94.1	Very high	127 Å²	127	35.8 Å²	35.8	59%	0.588	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-38.7	-179.5	61.7	-70.8	0	0	0	113.6	R502 T503	R502-H505 PolarHBondContact NH1-O 3.34Å; T503-H505 VanDerWaalsContact C-N 3.32Å; T503-H505 PolarHBondContact O-N 3.45Å
506	N	93.7	Very high	93.9	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	152.4	-172.4	-70.1	-26.7	0	0	0	112.6	D184 F186 R502 T503	D184-N506 HydrophobicContact CB-CB 4.07Å; D184-N506 PolarHBondContact OD2-ND2 2.86Å; F186-N506 HydrophobicContact CD2-CB 4.19Å; F186-N506 HydrophobicContact CE2-CB 4.18Å; R502-N506 CarbonylContact C-O 3.56Å; R502-N506 WeakPolarHBondContact CA-O 3.36Å; T503-N506 PolarHBondContact N-O 3.03Å; T503-N506 PolarHBondContact O-N 3.31Å; T503-N506 WeakPolarHBondContact OG1-CB 3.23Å; T503-N506 PolarHBondContact OG1-O 3.43Å
507	P	96.1	Very high	93.8	Very high	47 Å²	47	37.9 Å²	37.9	31%	0.305	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	146.6	163.8	24.3	-27.1	0	0	0	110	A185 F501	A185-P507 HydrophobicContact CB-CB 4.28Å; A185-P507 HydrophobicContact CB-CG 3.75Å; A185-P507 WeakPolarHBondContact CB-O 3.33Å; A185-P507 PolarHBondContact N-O 3.47Å; F501-P507 WeakPolarHBondContact O-CA 3.36Å
508	T	97	Very high	93.7	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.037	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-66.7	163.4	171.5	53.3	0	0	0	0	111.2	L500 F501 T503 F510 S511 R512	L500-T508 WeakPolarHBondContact O-CB 3.45Å; L500-T508 VanDerWaalsContact O-CG2 3.31Å; L500-T508 WeakPolarHBondContact O-CG2 3.44Å; L500-T508 PolarHBondContact O-OG1 2.86Å; F501-T508 PolarHBondContact O-N 3.48Å; F501-T508 PolarHBondContact O-OG1 3.31Å; T503-T508 HydrophobicContact CG2-CG2 3.79Å; T508-F510 PolarHBondContact O-N 3.12Å; T508-S511 WeakPolarHBondContact O-CB 3.4Å; T508-S511 PolarHBondContact O-N 2.69Å; T508-S511 VanDerWaalsContact O-N 3.15Å; T508-S511 PolarHBondContact OG1-N 3.35Å; T508-S511 VanDerWaalsContact OG1-N 3.09Å; T508-S511 PolarHBondContact OG1-OG 3.3Å; T508-R512 PolarHBondContact O-N 3.07Å
509	Y	93.6	Very high	93.7	Very high	13 Å²	13	38.5 Å²	38.5	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-54.4	-42	167.7	-154.9	-51.1	0	0	0	110.4	H172 I183 H187 M220 S511 R512 R513	H172-Y509 AromaticContact NE2-CD2 3.86Å; I183-Y509 HydrophobicContact CG2-CD2 4.37Å; I183-Y509 PolarHBondContact O-N 3.49Å; I183-Y509 VanDerWaalsContact O-N 3.09Å; H187-Y509 AromaticContact CD2-CD2 3.69Å; H187-Y509 AromaticContact CD2-CE2 3.26Å; H187-Y509 WeakPolarHBondContact CD2-CE2 3.47Å; H187-Y509 AromaticContact NE2-CE2 3.18Å; H187-Y509 WeakPolarHBondContact NE2-CE2 3.28Å; H187-Y509 AromaticContact NE2-CZ 3.7Å; M220-Y509 HydrophobicContact CE-CE2 4.33Å; M220-Y509 HydrophobicContact SD-CD2 4.38Å; M220-Y509 HydrophobicContact SD-CE2 3.56Å; M220-Y509 VanDerWaalsContact SD-CE2 3.56Å; Y509-S511 PolarHBondContact O-N 3.47Å; Y509-R512 WeakPolarHBondContact O-CB 3.42Å; Y509-R512 PolarHBondContact O-N 3.01Å; Y509-R512 PolarHBondContact OH-NH2 3.41Å; Y509-R513 HydrophobicContact CD1-CG 3.74Å; Y509-R513 HydrophobicContact CE1-CG 3.85Å; Y509-R513 VanDerWaalsContact O-CG 3.3Å; Y509-R513 WeakPolarHBondContact O-CG 3.4Å; Y509-R513 PolarHBondContact O-N 3.42Å; Y509-R513 VanDerWaalsContact O-N 3.15Å; Y509-R513 PolarHBondContact OH-NH2 3.38Å
510	F	94.8	Very high	93.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-53.6	-52.2	174.5	-179.1	-88.2	0	0	0	112.1	R169 M237 I412 I431 L500 F501 T508 R512 R513 L514	R169-F510 HydrophobicContact CG-CE2 4.15Å; M237-F510 HydrophobicContact CE-CD2 3.35Å; M237-F510 HydrophobicContact CE-CE2 3.67Å; M237-F510 HydrophobicContact CE-CG 4.33Å; M237-F510 HydrophobicContact SD-CD2 3.85Å; I412-F510 HydrophobicContact CD1-CD2 4.15Å; I412-F510 HydrophobicContact CD1-CE1 4.08Å; I412-F510 HydrophobicContact CD1-CE2 3.54Å; I412-F510 HydrophobicContact CD1-CZ 3.5Å; I431-F510 HydrophobicContact CD1-CE1 4.48Å; I431-F510 HydrophobicContact CD1-CZ 3.87Å; I431-F510 HydrophobicContact CG2-CE1 4.49Å; I431-F510 HydrophobicContact CG2-CZ 4.4Å; L500-F510 HydrophobicContact CD1-CB 4.29Å; L500-F510 HydrophobicContact CD1-CD1 3.68Å; L500-F510 HydrophobicContact CD1-CD2 4.02Å; L500-F510 HydrophobicContact CD1-CE1 3.94Å; L500-F510 HydrophobicContact CD1-CE2 4.25Å; L500-F510 HydrophobicContact CD1-CG 3.73Å; L500-F510 HydrophobicContact CD1-CZ 4.21Å; L500-F510 HydrophobicContact CD2-CD1 4.22Å; L500-F510 HydrophobicContact CD2-CE1 3.72Å; L500-F510 HydrophobicContact CD2-CZ 4.04Å; L500-F510 HydrophobicContact CG-CD1 3.73Å; L500-F510 HydrophobicContact CG-CE1 3.77Å; L500-F510 HydrophobicContact CG-CG 4.3Å; L500-F510 HydrophobicContact CG-CZ 4.37Å; F501-F510 HydrophobicContact CD1-CD1 4.35Å; F501-F510 HydrophobicContact CD1-CE1 4.37Å; F501-F510 HydrophobicContact CE1-CD1 4.36Å; F501-F510 AromaticContact CE1-CE1 3.92Å; F501-F510 HydrophobicContact CE1-CE1 3.92Å; T508-F510 PolarHBondContact O-N 3.12Å; F510-R512 VanDerWaalsContact C-N 3.35Å; F510-R512 PolarHBondContact O-N 3.08Å; F510-R513 WeakPolarHBondContact O-CB 3.34Å; F510-R513 PolarHBondContact O-N 3.39Å; F510-R513 VanDerWaalsContact O-N 3.07Å; F510-L514 HydrophobicContact CE1-CD2 4.26Å; F510-L514 PolarHBondContact O-N 3.4Å
511	S	95.4	Very high	93.8	Very high	13 Å²	13	40 Å²	40	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-57.1	-44.2	177.3	-71.1	0	0	0	0	113.2	F501 T508 Y509 R513 L514 S515	F501-S511 VanDerWaalsContact C-OG 3.3Å; F501-S511 WeakPolarHBondContact CA-OG 3.49Å; F501-S511 WeakPolarHBondContact CB-OG 3.4Å; F501-S511 PolarHBondContact O-OG 3.48Å; T508-S511 WeakPolarHBondContact O-CB 3.4Å; T508-S511 PolarHBondContact O-N 2.69Å; T508-S511 VanDerWaalsContact O-N 3.15Å; T508-S511 PolarHBondContact OG1-N 3.35Å; T508-S511 VanDerWaalsContact OG1-N 3.09Å; T508-S511 PolarHBondContact OG1-OG 3.3Å; Y509-S511 PolarHBondContact O-N 3.47Å; S511-R513 PolarHBondContact O-N 3.34Å; S511-L514 PolarHBondContact O-N 3.5Å; S511-S515 PolarHBondContact O-N 3.27Å; S511-S515 PolarHBondContact O-OG 2.71Å
512	R	93.1	Very high	93.9	Very high	94 Å²	94	38.7 Å²	38.7	36%	0.355	18%	0.175	S	C	.	.	H	α-helix	trans	-56.7	-39.9	176.8	-175.3	-179.9	71.1	165.8	10.6	111.8	A185 H187 T508 Y509 F510 R516	A185-R512 HydrophobicContact CB-CB 3.82Å; A185-R512 HydrophobicContact CB-CG 4.33Å; A185-R512 WeakPolarHBondContact O-CD 3.49Å; A185-R512 PolarHBondContact O-NH1 2.89Å; H187-R512 PolarHBondContact NE2-NH2 3.37Å; T508-R512 PolarHBondContact O-N 3.07Å; Y509-R512 WeakPolarHBondContact O-CB 3.42Å; Y509-R512 PolarHBondContact O-N 3.01Å; Y509-R512 PolarHBondContact OH-NH2 3.41Å; F510-R512 VanDerWaalsContact C-N 3.35Å; F510-R512 PolarHBondContact O-N 3.08Å; R512-R516 WeakPolarHBondContact O-CB 3.41Å; R512-R516 PolarHBondContact O-N 3.09Å
513	R	90.4	Very high	94	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.045	15%	0.152	C	C	.	.	H	α-helix	trans	-72.6	-45	179.5	-61.1	168.6	165.7	-125.2	-13	110.4	Q235 I412 Y413 Y509 F510 S511 S515 R516 F517	Q235-R513 VanDerWaalsContact OE1-NH2 3.09Å; I412-R513 HydrophobicContact CG2-CB 4.29Å; Y413-R513 VanDerWaalsContact CE2-CD 3.48Å; Y413-R513 HydrophobicContact CE2-CG 4.35Å; Y413-R513 VanDerWaalsContact CZ-CD 3.46Å; Y413-R513 VanDerWaalsContact CZ-CZ 3.48Å; Y413-R513 WeakPolarHBondContact OH-CD 3.33Å; Y413-R513 WeakPolarHBondContact OH-CG 3.49Å; Y413-R513 PolarHBondContact OH-NE 3.03Å; Y413-R513 PolarHBondContact OH-NH1 2.9Å; Y509-R513 HydrophobicContact CD1-CG 3.74Å; Y509-R513 HydrophobicContact CE1-CG 3.85Å; Y509-R513 VanDerWaalsContact O-CG 3.3Å; Y509-R513 WeakPolarHBondContact O-CG 3.4Å; Y509-R513 PolarHBondContact O-N 3.42Å; Y509-R513 VanDerWaalsContact O-N 3.15Å; Y509-R513 PolarHBondContact OH-NH2 3.38Å; F510-R513 WeakPolarHBondContact O-CB 3.34Å; F510-R513 PolarHBondContact O-N 3.39Å; F510-R513 VanDerWaalsContact O-N 3.07Å; S511-R513 PolarHBondContact O-N 3.34Å; R513-S515 PolarHBondContact O-N 3.44Å; R513-R516 PolarHBondContact O-N 3.24Å; R513-F517 HydrophobicContact CB-CD2 4.19Å; R513-F517 HydrophobicContact CB-CE2 4.21Å; R513-F517 WeakPolarHBondContact O-CD2 3.49Å; R513-F517 PolarHBondContact O-N 3.02Å
514	L	94.6	Very high	94.1	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-55.7	-52.7	176.8	179.4	62.5	0	0	0	111.4	I412 A429 I431 F501 F510 S511 R516 F517 A518 Y521	I412-L514 HydrophobicContact CD1-CB 3.89Å; I412-L514 HydrophobicContact CD1-CD1 3.98Å; I412-L514 HydrophobicContact CG1-CD1 4.38Å; A429-L514 HydrophobicContact CB-CD1 3.5Å; A429-L514 VanDerWaalsContact CB-CD1 3.5Å; I431-L514 HydrophobicContact CD1-CD1 4.26Å; I431-L514 HydrophobicContact CG1-CD1 4.29Å; I431-L514 HydrophobicContact CG1-CD2 4.43Å; F501-L514 HydrophobicContact CD1-CD2 4.35Å; F501-L514 HydrophobicContact CE1-CD2 3.79Å; F510-L514 HydrophobicContact CE1-CD2 4.26Å; F510-L514 PolarHBondContact O-N 3.4Å; S511-L514 PolarHBondContact O-N 3.5Å; L514-R516 PolarHBondContact O-N 3Å; L514-F517 PolarHBondContact O-N 2.87Å; L514-A518 HydrophobicContact CD1-CB 3.89Å; L514-A518 WeakPolarHBondContact O-CB 3.24Å; L514-A518 PolarHBondContact O-N 3.01Å; L514-Y521 HydrophobicContact CD1-CG 4.36Å; L514-Y521 HydrophobicContact CD2-CD1 4.41Å; L514-Y521 HydrophobicContact CD2-CD2 4.03Å; L514-Y521 HydrophobicContact CD2-CE2 4.36Å; L514-Y521 HydrophobicContact CD2-CG 4.06Å; L514-Y521 HydrophobicContact CG-CG 4.42Å
515	S	92.8	Very high	94.6	Very high	64 Å²	64	29.7 Å²	29.7	45%	0.448	14%	0.14	S	C	.	.	H	α-helix	trans	-62.4	-25.6	180	-62.1	0	0	0	0	113.8	S511 R513	S511-S515 PolarHBondContact O-N 3.27Å; S511-S515 PolarHBondContact O-OG 2.71Å; R513-S515 PolarHBondContact O-N 3.44Å
516	R	90.9	Very high	95.1	Very high	151 Å²	151	24.5 Å²	24.5	57%	0.57	12%	0.118	S	C	*	.	H	α-helix	trans	-83.8	-34.8	179.7	-175.5	174.9	177.5	173.6	-0.2	113.1	R512 R513 L514	R512-R516 WeakPolarHBondContact O-CB 3.41Å; R512-R516 PolarHBondContact O-N 3.09Å; R513-R516 PolarHBondContact O-N 3.24Å; L514-R516 PolarHBondContact O-N 3Å
517	F	92.9	Very high	95.3	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-110.9	-15.2	-166.6	-59.8	-51.6	0	0	0	114.8	F223 I412 Y413 L416 A417 T420 L421 T427 R513 L514	F223-F517 HydrophobicContact CE1-CE2 4.3Å; F223-F517 AromaticContact CE1-CZ 3.95Å; F223-F517 HydrophobicContact CE1-CZ 3.95Å; F223-F517 HydrophobicContact CZ-CZ 4.35Å; I412-F517 HydrophobicContact CG2-CB 4.02Å; I412-F517 HydrophobicContact CG2-CD2 3.77Å; I412-F517 HydrophobicContact CG2-CG 4.38Å; Y413-F517 HydrophobicContact CE1-CD2 4.25Å; Y413-F517 AromaticContact CE1-CE2 3.63Å; Y413-F517 HydrophobicContact CE1-CE2 3.63Å; Y413-F517 HydrophobicContact CE1-CZ 4.31Å; L416-F517 HydrophobicContact CB-CB 4.49Å; A417-F517 HydrophobicContact CB-CD1 3.99Å; A417-F517 HydrophobicContact CB-CD2 4.21Å; A417-F517 HydrophobicContact CB-CE1 4.16Å; A417-F517 HydrophobicContact CB-CE2 4.36Å; A417-F517 HydrophobicContact CB-CG 4.02Å; A417-F517 HydrophobicContact CB-CZ 4.33Å; T420-F517 PolarHBondContact OG1-O 2.96Å; L421-F517 HydrophobicContact CD1-CE1 3.79Å; L421-F517 HydrophobicContact CD2-CE1 4.14Å; L421-F517 HydrophobicContact CG-CD1 4.36Å; L421-F517 HydrophobicContact CG-CE1 3.93Å; T427-F517 PolarHBondContact OG1-O 3.06Å; R513-F517 HydrophobicContact CB-CD2 4.19Å; R513-F517 HydrophobicContact CB-CE2 4.21Å; R513-F517 WeakPolarHBondContact O-CD2 3.49Å; R513-F517 PolarHBondContact O-N 3.02Å; L514-F517 PolarHBondContact O-N 2.87Å
518	A	96	Very high	95.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	10%	0.097	C	C	.	.			trans	-112.7	124.2	177.6	0	0	0	0	0	110	N109 L416 T427 A429 L514	N109-A518 WeakPolarHBondContact CB-O 3.49Å; N109-A518 PolarHBondContact ND2-O 3.05Å; L416-A518 HydrophobicContact CD1-CB 4.15Å; T427-A518 WeakPolarHBondContact OG1-CA 3.42Å; A429-A518 HydrophobicContact CB-CB 3.65Å; L514-A518 HydrophobicContact CD1-CB 3.89Å; L514-A518 WeakPolarHBondContact O-CB 3.24Å; L514-A518 PolarHBondContact O-N 3.01Å
519	D	96.4	Very high	95.3	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	11%	0.111	C	C	.	.	S	Bend	trans	-67.8	-41.9	172.5	-72.7	-68.2	0	0	0	111.7	N109 N110 M112 R426 T427	N109-D519 PolarHBondContact N-O 3.1Å; N110-D519 HydrophobicContact CB-CB 4.37Å; N110-D519 VanDerWaalsContact CB-OD1 3.31Å; N110-D519 WeakPolarHBondContact CB-OD1 3.46Å; N110-D519 PolarHBondContact N-O 3.04Å; N110-D519 VanDerWaalsContact N-O 3.13Å; N110-D519 PolarHBondContact ND2-OD1 3.36Å; M112-D519 HydrophobicContact CE-CB 3.15Å; R426-D519 WeakPolarHBondContact CA-OD2 3.31Å; R426-D519 IonicContact CZ-OD1 3.74Å; R426-D519 IonicContact CZ-OD2 2.96Å; R426-D519 IonicContact NE-OD1 2.74Å; R426-D519 PolarHBondContact NE-OD1 2.76Å; R426-D519 IonicContact NE-OD2 3.86Å; R426-D519 PolarHBondContact NE-OD2 2.93Å; R426-D519 IonicContact NH2-OD1 3.19Å; R426-D519 PolarHBondContact NH2-OD1 3.37Å; R426-D519 IonicContact NH2-OD2 2.7Å; T427-D519 PolarHBondContact N-OD2 3.31Å; T427-D519 WeakPolarHBondContact O-CB 3.39Å; T427-D519 PolarHBondContact O-N 3.17Å; T427-D519 PolarHBondContact OG1-N 2.76Å
520	I	97.8	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155	173.7	59.4	175.4	0	0	0	110	I106 F107 A108 M112 L406 F408 T427 G428 A429 M522 F537	I106-I520 HydrophobicContact CG2-CB 3.83Å; I106-I520 HydrophobicContact CG2-CD1 4.07Å; I106-I520 HydrophobicContact CG2-CG1 4.42Å; I106-I520 HydrophobicContact CG2-CG2 4.15Å; F107-I520 CarbonylContact O-C 3.06Å; F107-I520 WeakPolarHBondContact O-CA 3.26Å; A108-I520 HydrophobicContact CB-CG2 4.18Å; M112-I520 HydrophobicContact CB-CG2 4.37Å; M112-I520 HydrophobicContact CE-CB 4.46Å; M112-I520 HydrophobicContact CE-CD1 4.14Å; M112-I520 HydrophobicContact CE-CG1 3.88Å; M112-I520 HydrophobicContact CE-CG2 4.03Å; M112-I520 HydrophobicContact SD-CD1 3.9Å; M112-I520 HydrophobicContact SD-CG1 4.3Å; M112-I520 HydrophobicContact SD-CG2 4.36Å; L406-I520 HydrophobicContact CD2-CD1 4.41Å; F408-I520 HydrophobicContact CE1-CD1 4.36Å; T427-I520 PolarHBondContact O-N 2.98Å; G428-I520 CarbonylContact C-O 3.58Å; G428-I520 VanDerWaalsContact CA-O 3.31Å; G428-I520 WeakPolarHBondContact CA-O 3.47Å; A429-I520 PolarHBondContact N-O 3.45Å; I520-M522 HydrophobicContact CD1-CE 3.79Å; I520-M522 HydrophobicContact CG1-CE 4.25Å; I520-F537 HydrophobicContact CD1-CE2 4.4Å; I520-F537 HydrophobicContact CG2-CB 4.33Å; I520-F537 HydrophobicContact CG2-CD2 4.07Å; I520-F537 HydrophobicContact CG2-CG 4.28Å
521	Y	98.1	Very high	95.6	Very high	45 Å²	45	29.3 Å²	29.3	18%	0.176	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.4	172.5	68.2	-82.5	0	0	0	111.1	F107 A429 L434 L514	F107-Y521 HydrophobicContact CB-CD1 3.86Å; F107-Y521 HydrophobicContact CB-CD2 4.19Å; F107-Y521 HydrophobicContact CB-CE1 3.37Å; F107-Y521 HydrophobicContact CB-CE2 3.72Å; F107-Y521 HydrophobicContact CB-CG 4.25Å; F107-Y521 HydrophobicContact CD2-CD2 4.38Å; F107-Y521 AromaticContact CD2-CE2 3.92Å; F107-Y521 HydrophobicContact CD2-CE2 3.92Å; F107-Y521 HydrophobicContact CG-CE1 4.39Å; F107-Y521 AromaticContact CG-CE2 3.96Å; F107-Y521 HydrophobicContact CG-CE2 3.96Å; F107-Y521 AromaticContact CG-CZ 3.82Å; F107-Y521 PolarHBondContact N-O 3.13Å; F107-Y521 WeakPolarHBondContact O-CD1 3.28Å; F107-Y521 PolarHBondContact O-N 3.02Å; A429-Y521 VanDerWaalsContact O-CA 3.26Å; A429-Y521 WeakPolarHBondContact O-CA 3.35Å; L434-Y521 HydrophobicContact CD1-CE2 4.15Å; L434-Y521 HydrophobicContact CD2-CD2 3.8Å; L434-Y521 HydrophobicContact CD2-CE2 3.86Å; L514-Y521 HydrophobicContact CD1-CG 4.36Å; L514-Y521 HydrophobicContact CD2-CD1 4.41Å; L514-Y521 HydrophobicContact CD2-CD2 4.03Å; L514-Y521 HydrophobicContact CD2-CE2 4.36Å; L514-Y521 HydrophobicContact CD2-CG 4.06Å; L514-Y521 HydrophobicContact CG-CG 4.42Å
522	M	98	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163.2	-173.4	62.5	-166.1	77.1	0	0	111.1	I106 F408 A429 I430 I431 I520 S524 C527 M528	I106-M522 HydrophobicContact CB-CE 4.41Å; I106-M522 HydrophobicContact CD1-CE 3.64Å; I106-M522 HydrophobicContact CD1-SD 4.04Å; I106-M522 HydrophobicContact CG1-CB 4.04Å; I106-M522 HydrophobicContact CG1-CE 3.72Å; I106-M522 HydrophobicContact CG1-SD 4Å; I106-M522 HydrophobicContact CG2-CE 3.87Å; F408-M522 HydrophobicContact CD1-CE 4.46Å; F408-M522 HydrophobicContact CE1-CE 3.68Å; F408-M522 HydrophobicContact CE1-SD 4.36Å; A429-M522 PolarHBondContact O-N 2.69Å; I430-M522 HydrophobicContact CD1-CG 3.61Å; I430-M522 HydrophobicContact CD1-SD 4Å; I431-M522 PolarHBondContact N-O 3Å; I520-M522 HydrophobicContact CD1-CE 3.79Å; I520-M522 HydrophobicContact CG1-CE 4.25Å; M522-S524 WeakPolarHBondContact CG-O 3.37Å; M522-S524 VanDerWaalsContact SD-O 3.33Å; M522-C527 HydrophobicContact CB-CB 4.05Å; M522-C527 HydrophobicContact CG-CB 4.43Å; M522-C527 HydrophobicContact SD-CB 4.06Å; M522-M528 HydrophobicContact CE-SD 4.31Å; M522-M528 HydrophobicContact SD-CG 4.27Å
523	A	96.9	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-74	-28.3	179.5	0	0	0	0	0	113.3	I431 P432 L434 R435	I431-A523 WeakPolarHBondContact O-CA 3.26Å; P432-A523 WeakPolarHBondContact CA-O 3.19Å; L434-A523 HydrophobicContact CB-CB 4.22Å; R435-A523 HydrophobicContact CB-CB 3.83Å
524	S	96.3	Very high	96.1	Very high	1 Å²	1	35 Å²	35	1%	0.007	17%	0.171	C	C	.	.			trans	-157.9	153.5	-179	170.7	0	0	0	0	109.5	M522 S526 C527	M522-S524 WeakPolarHBondContact CG-O 3.37Å; M522-S524 VanDerWaalsContact SD-O 3.33Å; S524-S526 WeakPolarHBondContact CB-OG 2.81Å; S524-S526 PolarHBondContact O-N 3.27Å; S524-S526 VanDerWaalsContact O-N 3.12Å; S524-S526 WeakPolarHBondContact OG-CB 3.31Å; S524-S526 PolarHBondContact OG-N 2.9Å; S524-S526 VanDerWaalsContact OG-N 3.14Å; S524-S526 PolarHBondContact OG-OG 3.15Å; S524-C527 VanDerWaalsContact O-CB 3.28Å; S524-C527 WeakPolarHBondContact O-CB 3.49Å; S524-C527 PolarHBondContact O-N 3.13Å; S524-C527 PolarHBondContact O-SG 2.83Å
525	I	96.4	Very high	96.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.8	-24.6	172.9	-158.8	66.8	0	0	0	112	F122 F130 V305 F408 I430 C527 M528	F122-I525 HydrophobicContact CD1-CD1 4.49Å; F122-I525 HydrophobicContact CE1-CD1 3.97Å; F122-I525 HydrophobicContact CE1-CG1 4.08Å; F130-I525 HydrophobicContact CE2-CG2 4.43Å; V305-I525 HydrophobicContact CG1-CG1 4.1Å; V305-I525 HydrophobicContact CG2-CG2 4.47Å; V305-I525 WeakPolarHBondContact CG2-O 3.47Å; F408-I525 HydrophobicContact CB-CD1 4.2Å; F408-I525 HydrophobicContact CD1-CD1 3.47Å; F408-I525 VanDerWaalsContact CD1-CD1 3.47Å; F408-I525 HydrophobicContact CD2-CD1 3.75Å; F408-I525 HydrophobicContact CE1-CD1 3.63Å; F408-I525 HydrophobicContact CE2-CD1 3.89Å; F408-I525 HydrophobicContact CG-CD1 3.52Å; F408-I525 HydrophobicContact CZ-CD1 3.82Å; I430-I525 HydrophobicContact CD1-CB 4.36Å; I430-I525 HydrophobicContact CD1-CD1 4.15Å; I525-C527 PolarHBondContact O-N 3.46Å; I525-C527 VanDerWaalsContact O-N 3.1Å; I525-M528 HydrophobicContact CD1-CG 4.22Å; I525-M528 VanDerWaalsContact O-CB 3.25Å; I525-M528 WeakPolarHBondContact O-CB 3.39Å; I525-M528 WeakPolarHBondContact O-CG 3.31Å; I525-M528 PolarHBondContact O-N 3.41Å
526	S	96.3	Very high	96.5	Very high	18 Å²	18	36.9 Å²	36.9	13%	0.126	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.2	-24.1	175.2	67.5	0	0	0	0	113.6	S524 M528 L529	S524-S526 WeakPolarHBondContact CB-OG 2.81Å; S524-S526 PolarHBondContact O-N 3.27Å; S524-S526 VanDerWaalsContact O-N 3.12Å; S524-S526 WeakPolarHBondContact OG-CB 3.31Å; S524-S526 PolarHBondContact OG-N 2.9Å; S524-S526 VanDerWaalsContact OG-N 3.14Å; S524-S526 PolarHBondContact OG-OG 3.15Å; S526-M528 PolarHBondContact O-N 2.9Å; S526-M528 VanDerWaalsContact O-N 3.14Å; S526-L529 VanDerWaalsContact O-CB 3.25Å; S526-L529 WeakPolarHBondContact O-CB 3.44Å; S526-L529 WeakPolarHBondContact O-CG 3.31Å; S526-L529 PolarHBondContact O-N 3.5Å
527	C	97.2	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-56.9	-27.2	174.4	-63.3	0	0	0	0	112	D104 I106 M522 S524 I525 L529 N530 Y531	D104-C527 VanDerWaalsContact O-CB 3.29Å; D104-C527 WeakPolarHBondContact O-CB 3.38Å; D104-C527 PolarHBondContact O-SG 3.37Å; I106-C527 HydrophobicContact CD1-CB 4.27Å; I106-C527 HydrophobicContact CG1-CB 3.75Å; M522-C527 HydrophobicContact CB-CB 4.05Å; M522-C527 HydrophobicContact CG-CB 4.43Å; M522-C527 HydrophobicContact SD-CB 4.06Å; S524-C527 VanDerWaalsContact O-CB 3.28Å; S524-C527 WeakPolarHBondContact O-CB 3.49Å; S524-C527 PolarHBondContact O-N 3.13Å; S524-C527 PolarHBondContact O-SG 2.83Å; I525-C527 PolarHBondContact O-N 3.46Å; I525-C527 VanDerWaalsContact O-N 3.1Å; C527-L529 PolarHBondContact O-N 3.31Å; C527-L529 VanDerWaalsContact O-N 3.17Å; C527-N530 WeakPolarHBondContact O-CB 3.47Å; C527-N530 PolarHBondContact O-N 2.98Å; C527-N530 VanDerWaalsContact O-N 3.11Å; C527-Y531 VanDerWaalsContact O-CD2 3.24Å; C527-Y531 WeakPolarHBondContact O-CD2 3.39Å; C527-Y531 WeakPolarHBondContact O-CE2 3.44Å
528	M	97.4	Very high	97	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.02	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.5	-18.7	174.3	-68.3	-67.8	-62.6	0	0	113.7	I106 L114 Y120 V305 K308 F408 M522 I525 S526 N530 Y531	I106-M528 HydrophobicContact CD1-CG 4.2Å; I106-M528 HydrophobicContact CD1-SD 3.47Å; I106-M528 WeakPolarHBondContact CD1-SD 3.47Å; L114-M528 HydrophobicContact CD1-CE 3.72Å; L114-M528 HydrophobicContact CD2-CE 3.86Å; L114-M528 HydrophobicContact CG-CE 4.47Å; Y120-M528 HydrophobicContact CE1-CE 4.29Å; V305-M528 HydrophobicContact CG1-CB 4.18Å; V305-M528 HydrophobicContact CG2-CB 4.34Å; K308-M528 PolarHBondContact NZ-O 3.22Å; F408-M528 HydrophobicContact CZ-SD 4.2Å; M522-M528 HydrophobicContact CE-SD 4.31Å; M522-M528 HydrophobicContact SD-CG 4.27Å; I525-M528 HydrophobicContact CD1-CG 4.22Å; I525-M528 VanDerWaalsContact O-CB 3.25Å; I525-M528 WeakPolarHBondContact O-CB 3.39Å; I525-M528 WeakPolarHBondContact O-CG 3.31Å; I525-M528 PolarHBondContact O-N 3.41Å; S526-M528 PolarHBondContact O-N 2.9Å; S526-M528 VanDerWaalsContact O-N 3.14Å; M528-N530 PolarHBondContact O-N 2.91Å; M528-Y531 PolarHBondContact O-N 2.94Å
529	L	96.9	Very high	96.9	Very high	64 Å²	64	38.7 Å²	38.7	34%	0.335	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-67.7	-28.4	176	-62.1	175.5	0	0	0	111.6	A304 V305 K308 S526 C527 Y531	A304-L529 HydrophobicContact CB-CD1 3.95Å; A304-L529 HydrophobicContact CB-CD2 4.02Å; V305-L529 HydrophobicContact CB-CD2 4.47Å; V305-L529 HydrophobicContact CG2-CD1 4.3Å; V305-L529 HydrophobicContact CG2-CD2 3.72Å; V305-L529 HydrophobicContact CG2-CG 3.7Å; K308-L529 HydrophobicContact CD-CD2 4.18Å; K308-L529 PolarHBondContact NZ-O 2.94Å; S526-L529 VanDerWaalsContact O-CB 3.25Å; S526-L529 WeakPolarHBondContact O-CB 3.44Å; S526-L529 WeakPolarHBondContact O-CG 3.31Å; S526-L529 PolarHBondContact O-N 3.5Å; C527-L529 PolarHBondContact O-N 3.31Å; C527-L529 VanDerWaalsContact O-N 3.17Å; L529-Y531 PolarHBondContact O-N 2.85Å
530	N	96.8	Very high	96.5	Very high	94 Å²	94	47.1 Å²	47.1	50%	0.503	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-75.7	-7.9	-177.7	-62.5	-20.6	0	0	0	114	D104 C527 M528	D104-N530 PolarHBondContact O-ND2 3.03Å; C527-N530 WeakPolarHBondContact O-CB 3.47Å; C527-N530 PolarHBondContact O-N 2.98Å; C527-N530 VanDerWaalsContact O-N 3.11Å; M528-N530 PolarHBondContact O-N 2.91Å
531	Y	97.6	Very high	95.9	Very high	36 Å²	36	55 Å²	55	14%	0.141	25%	0.254	C	S	.	.	S	Bend	trans	-125.4	140.2	-173	-58.9	-86.5	0	0	0	111.8	T105 I106 K308 C527 M528 L529 H535 F537	T105-Y531 WeakPolarHBondContact CA-OH 3.26Å; I106-Y531 HydrophobicContact CB-CE2 3.98Å; I106-Y531 HydrophobicContact CD1-CD2 3.64Å; I106-Y531 HydrophobicContact CD1-CE2 3.69Å; I106-Y531 HydrophobicContact CG1-CD2 4.15Å; I106-Y531 HydrophobicContact CG1-CE2 3.64Å; I106-Y531 PolarHBondContact N-OH 3.45Å; I106-Y531 VanDerWaalsContact N-OH 3.07Å; K308-Y531 PolarHBondContact NZ-O 2.74Å; C527-Y531 VanDerWaalsContact O-CD2 3.24Å; C527-Y531 WeakPolarHBondContact O-CD2 3.39Å; C527-Y531 WeakPolarHBondContact O-CE2 3.44Å; M528-Y531 PolarHBondContact O-N 2.94Å; L529-Y531 PolarHBondContact O-N 2.85Å; Y531-H535 HydrophobicContact CD1-CB 4.46Å; Y531-H535 AromaticContact CD1-CD2 3.66Å; Y531-H535 AromaticContact CD1-CE1 3.73Å; Y531-H535 AromaticContact CD1-CG 3.73Å; Y531-H535 AromaticContact CD1-ND1 3.77Å; Y531-H535 AromaticContact CD1-NE2 3.66Å; Y531-H535 AromaticContact CE1-CE1 3.97Å; Y531-H535 AromaticContact CE1-NE2 3.79Å; Y531-F537 AromaticContact CD1-CE1 3.78Å; Y531-F537 HydrophobicContact CD1-CE1 3.78Å; Y531-F537 HydrophobicContact CD1-CZ 4.24Å; Y531-F537 HydrophobicContact CD2-CE1 4.24Å; Y531-F537 HydrophobicContact CD2-CZ 4.29Å; Y531-F537 AromaticContact CE1-CE1 3.76Å; Y531-F537 HydrophobicContact CE1-CE1 3.76Å; Y531-F537 HydrophobicContact CE2-CE1 4.23Å; Y531-F537 HydrophobicContact CG-CE1 4.02Å; Y531-F537 HydrophobicContact CG-CZ 4.07Å; Y531-F537 AromaticContact CZ-CE1 3.99Å
532	D	96.4	Very high	95.2	Very high	82 Å²	82	58.3 Å²	58.3	44%	0.439	28%	0.279	S	S	.	.			trans	-69.8	152.6	167.6	-175.9	-103.1	0	0	0	111	Q534 H535	D532-Q534 PolarHBondContact O-N 2.66Å; D532-Q534 VanDerWaalsContact O-N 3.1Å; D532-Q534 WeakPolarHBondContact OD1-CB 3.34Å; D532-Q534 WeakPolarHBondContact OD1-CG 3.35Å; D532-Q534 PolarHBondContact OD1-N 2.79Å; D532-H535 WeakPolarHBondContact O-CB 3.14Å; D532-H535 PolarHBondContact O-N 3.06Å
533	L	96.4	Very high	94.5	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	0.3	178.4	-63.2	-177.2	0	0	0	113.5	L114 R115 L309 H312 K314	L114-L533 CarbonylContact C-O 3.55Å; L114-L533 WeakPolarHBondContact CB-O 3.3Å; L114-L533 HydrophobicContact CD1-CD2 4.47Å; R115-L533 WeakPolarHBondContact CA-O 3.21Å; R115-L533 PolarHBondContact N-O 3.19Å; L309-L533 HydrophobicContact CD2-CD1 4.31Å; L309-L533 HydrophobicContact CD2-CD2 4.01Å; H312-L533 HydrophobicContact CB-CD1 3.57Å; K314-L533 HydrophobicContact CG-CD1 4.31Å
534	Q	96.5	Very high	94.1	Very high	145 Å²	145	65.3 Å²	65.3	68%	0.678	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-3	168.2	-57.7	175.9	34.3	0	0	113.1	D532	D532-Q534 PolarHBondContact O-N 2.66Å; D532-Q534 VanDerWaalsContact O-N 3.1Å; D532-Q534 WeakPolarHBondContact OD1-CB 3.34Å; D532-Q534 WeakPolarHBondContact OD1-CG 3.35Å; D532-Q534 PolarHBondContact OD1-N 2.79Å
535	H	98.1	Very high	93.7	Very high	72 Å²	72	73 Å²	73	33%	0.333	35%	0.354	S	S	.	.			trans	-64.4	141.4	-177.1	-169.2	86.2	0	0	0	111.9	L114 Y531 D532 F537	L114-H535 HydrophobicContact CD1-CB 4.45Å; L114-H535 PolarHBondContact N-O 3.25Å; Y531-H535 HydrophobicContact CD1-CB 4.46Å; Y531-H535 AromaticContact CD1-CD2 3.66Å; Y531-H535 AromaticContact CD1-CE1 3.73Å; Y531-H535 AromaticContact CD1-CG 3.73Å; Y531-H535 AromaticContact CD1-ND1 3.77Å; Y531-H535 AromaticContact CD1-NE2 3.66Å; Y531-H535 AromaticContact CE1-CE1 3.97Å; Y531-H535 AromaticContact CE1-NE2 3.79Å; D532-H535 WeakPolarHBondContact O-CB 3.14Å; D532-H535 PolarHBondContact O-N 3.06Å; H535-F537 AromaticContact CD2-CD1 3.45Å; H535-F537 VanDerWaalsContact CD2-CD1 3.45Å; H535-F537 WeakPolarHBondContact CD2-CD1 3.35Å; H535-F537 AromaticContact CD2-CE1 3.34Å; H535-F537 WeakPolarHBondContact CD2-CE1 3.31Å; H535-F537 AromaticContact CD2-CG 3.9Å; H535-F537 AromaticContact CD2-CZ 3.73Å; H535-F537 AromaticContact NE2-CD1 3.55Å; H535-F537 AromaticContact NE2-CE1 3.68Å
536	T	98.1	Very high	93.4	Very high	36 Å²	36	80.3 Å²	80.3	22%	0.221	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.3	171.4	-59.2	0	0	0	0	109.4	E111 M112 S113 F538	E111-T536 HydrophobicContact CG-CG2 4.11Å; M112-T536 CarbonylContact O-C 3.55Å; M112-T536 WeakPolarHBondContact O-CA 3.37Å; S113-T536 WeakPolarHBondContact CB-OG1 3.37Å; S113-T536 PolarHBondContact OG-OG1 3.28Å; T536-F538 HydrophobicContact CG2-CD1 4.37Å; T536-F538 HydrophobicContact CG2-CD2 4.42Å; T536-F538 HydrophobicContact CG2-CE1 3.74Å; T536-F538 HydrophobicContact CG2-CE2 3.8Å; T536-F538 HydrophobicContact CG2-CZ 3.42Å; T536-F538 VanDerWaalsContact CG2-CZ 3.42Å; T536-F538 WeakPolarHBondContact O-CD2 3.38Å; T536-F538 WeakPolarHBondContact O-CE2 3.43Å
537	F	97.8	Very high	92.8	Very high	6 Å²	6	81.9 Å²	81.9	3%	0.026	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131	174.1	-53.6	-78.2	0	0	0	109.9	I106 A108 E111 M112 L114 I520 Y531 H535	I106-F537 HydrophobicContact CB-CD1 4.21Å; I106-F537 HydrophobicContact CB-CE1 3.61Å; I106-F537 HydrophobicContact CB-CZ 4.03Å; I106-F537 HydrophobicContact CD1-CE1 4.07Å; I106-F537 HydrophobicContact CD1-CZ 3.66Å; I106-F537 HydrophobicContact CG1-CE1 4.38Å; I106-F537 HydrophobicContact CG1-CZ 4.42Å; I106-F537 HydrophobicContact CG2-CD1 3.99Å; I106-F537 HydrophobicContact CG2-CE1 3.7Å; I106-F537 HydrophobicContact CG2-CE2 4.31Å; I106-F537 HydrophobicContact CG2-CG 4.45Å; I106-F537 HydrophobicContact CG2-CZ 3.88Å; A108-F537 HydrophobicContact CB-CB 3.75Å; E111-F537 VanDerWaalsContact CA-O 3.32Å; E111-F537 WeakPolarHBondContact CA-O 3.4Å; M112-F537 HydrophobicContact CB-CD2 4.48Å; M112-F537 PolarHBondContact N-O 3.4Å; M112-F537 PolarHBondContact O-N 2.93Å; L114-F537 HydrophobicContact CD1-CE2 3.83Å; L114-F537 HydrophobicContact CD1-CZ 4.04Å; L114-F537 HydrophobicContact CD2-CE2 3.97Å; L114-F537 HydrophobicContact CG-CE2 3.71Å; L114-F537 HydrophobicContact CG-CZ 4.42Å; I520-F537 HydrophobicContact CD1-CE2 4.4Å; I520-F537 HydrophobicContact CG2-CB 4.33Å; I520-F537 HydrophobicContact CG2-CD2 4.07Å; I520-F537 HydrophobicContact CG2-CG 4.28Å; Y531-F537 AromaticContact CD1-CE1 3.78Å; Y531-F537 HydrophobicContact CD1-CE1 3.78Å; Y531-F537 HydrophobicContact CD1-CZ 4.24Å; Y531-F537 HydrophobicContact CD2-CE1 4.24Å; Y531-F537 HydrophobicContact CD2-CZ 4.29Å; Y531-F537 AromaticContact CE1-CE1 3.76Å; Y531-F537 HydrophobicContact CE1-CE1 3.76Å; Y531-F537 HydrophobicContact CE2-CE1 4.23Å; Y531-F537 HydrophobicContact CG-CE1 4.02Å; Y531-F537 HydrophobicContact CG-CZ 4.07Å; Y531-F537 AromaticContact CZ-CE1 3.99Å; H535-F537 AromaticContact CD2-CD1 3.45Å; H535-F537 VanDerWaalsContact CD2-CD1 3.45Å; H535-F537 WeakPolarHBondContact CD2-CD1 3.35Å; H535-F537 AromaticContact CD2-CE1 3.34Å; H535-F537 WeakPolarHBondContact CD2-CE1 3.31Å; H535-F537 AromaticContact CD2-CG 3.9Å; H535-F537 AromaticContact CD2-CZ 3.73Å; H535-F537 AromaticContact NE2-CD1 3.55Å; H535-F537 AromaticContact NE2-CE1 3.68Å
538	F	96.2	Very high	92	Very high	133 Å²	133	85.6 Å²	85.6	58%	0.583	42%	0.424	S	S	*	.			trans	-114	130.7	176.7	-61.3	-80.2	0	0	0	110	E111 T536	E111-F538 HydrophobicContact CG-CD1 3.87Å; E111-F538 HydrophobicContact CG-CE1 3.96Å; T536-F538 HydrophobicContact CG2-CD1 4.37Å; T536-F538 HydrophobicContact CG2-CD2 4.42Å; T536-F538 HydrophobicContact CG2-CE1 3.74Å; T536-F538 HydrophobicContact CG2-CE2 3.8Å; T536-F538 HydrophobicContact CG2-CZ 3.42Å; T536-F538 VanDerWaalsContact CG2-CZ 3.42Å; T536-F538 WeakPolarHBondContact O-CD2 3.38Å; T536-F538 WeakPolarHBondContact O-CE2 3.43Å
539	P	94	Very high	90.6	Very high	53 Å²	53	87.3 Å²	87.3	34%	0.344	44%	0.436	S	S	.	.			trans	-67.3	141.3	175.7	28.4	-33.4	0	0	0	110.1	A108 N109 R541	A108-P539 WeakPolarHBondContact O-CA 3.42Å; N109-P539 WeakPolarHBondContact O-CB 3.41Å; P539-R541 PolarHBondContact O-N 3.36Å
540	R	88.1	Confident	88.9	Confident	191 Å²	191	92.4 Å²	92.4	72%	0.721	46%	0.455	S	S	*	.			trans	-68.5	126.3	173.6	-66.6	-175.2	-178	-179.5	0.8	109.1	T542	R540-T542 PolarHBondContact O-N 2.73Å
541	R	84.3	Confident	86.8	Confident	164 Å²	164	95.8 Å²	95.8	62%	0.619	46%	0.461	S	S	*	.			trans	-67.7	101.4	174.4	-175.5	173.3	178	-100.5	-1.1	109.5	P539 P543 E547	P539-R541 PolarHBondContact O-N 3.36Å; R541-P543 WeakPolarHBondContact O-CD 3.41Å; R541-E547 IonicContact CZ-OE1 2.76Å; R541-E547 IonicContact CZ-OE2 3.23Å; R541-E547 IonicContact NH2-OE1 3.66Å; R541-E547 PolarHBondContact NH2-OE1 3.12Å; R541-E547 IonicContact NH2-OE2 2.73Å; R541-E547 PolarHBondContact NH2-OE2 3.37Å
542	T	83	Confident	84	Confident	115 Å²	115	99 Å²	99	71%	0.706	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-80.3	117.5	171.4	-57.5	0	0	0	0	107.9	R540	R540-T542 PolarHBondContact O-N 2.73Å
543	P	84.6	Confident	81	Confident	48 Å²	48	103.1 Å²	103.1	31%	0.312	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-63.4	138.5	179.8	25.8	-32.7	0	0	0	110.4	R541 E547 P549	R541-P543 WeakPolarHBondContact O-CD 3.41Å; P543-E547 VanDerWaalsContact CA-OE2 3.27Å; P543-E547 WeakPolarHBondContact CA-OE2 3.48Å; P543-E547 HydrophobicContact CB-CB 3.92Å; P543-P549 HydrophobicContact CG-CB 4.38Å
544	L	88.6	Confident	77.9	Confident	99 Å²	99	111.8 Å²	111.8	52%	0.518	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-65.4	161.3	167.7	-58.6	177.8	0	0	0	109.7	H546 E547	L544-H546 PolarHBondContact O-N 2.79Å; L544-E547 HydrophobicContact CB-CG 4Å; L544-E547 PolarHBondContact N-OE2 3.25Å; L544-E547 WeakPolarHBondContact O-CB 3.45Å; L544-E547 PolarHBondContact O-N 3.15Å
545	Q	86.9	Confident	74.6	Confident	163 Å²	163	110.5 Å²	110.5	76%	0.762	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.6	-175.3	-65.2	-62.7	-54.7	0	0	114.5	V52	V52-Q545 WeakPolarHBondContact CG2-O 3.24Å
546	H	89.8	Confident	71.5	Confident	153 Å²	153	113.1 Å²	113.1	71%	0.708	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-2.3	176.5	64	-91.5	0	0	0	113.4	L544	L544-H546 PolarHBondContact O-N 2.79Å
547	E	84.3	Confident	68.5	Low	52 Å²	52	115.8 Å²	115.8	24%	0.243	59%	0.587	C	S	.	*	S	Bend	trans	-91.3	129.8	178.4	-67	-178.8	145.6	0	0	109.5	R541 P543 L544	R541-E547 IonicContact CZ-OE1 2.76Å; R541-E547 IonicContact CZ-OE2 3.23Å; R541-E547 IonicContact NH2-OE1 3.66Å; R541-E547 PolarHBondContact NH2-OE1 3.12Å; R541-E547 IonicContact NH2-OE2 2.73Å; R541-E547 PolarHBondContact NH2-OE2 3.37Å; P543-E547 VanDerWaalsContact CA-OE2 3.27Å; P543-E547 WeakPolarHBondContact CA-OE2 3.48Å; P543-E547 HydrophobicContact CB-CB 3.92Å; L544-E547 HydrophobicContact CB-CG 4Å; L544-E547 PolarHBondContact N-OE2 3.25Å; L544-E547 WeakPolarHBondContact O-CB 3.45Å; L544-E547 PolarHBondContact O-N 3.15Å
548	A	79.4	Confident	65.5	Low	77 Å²	77	118.3 Å²	118.3	64%	0.636	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-62.8	131.7	170.2	0	0	0	0	0	109	F550	A548-F550 PolarHBondContact O-N 3.4Å
549	P	68.9	Low	62.2	Low	41 Å²	41	121.8 Å²	121.8	27%	0.266	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-63.1	116.7	173.4	19.9	-24.6	0	0	0	108.6	Q53 P543 W551	Q53-P549 WeakPolarHBondContact O-CG 3.36Å; P543-P549 HydrophobicContact CG-CB 4.38Å; P549-W551 PolarHBondContact O-N 3.19Å
550	F	61.2	Low	59	Low	171 Å²	171	122.9 Å²	122.9	75%	0.75	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-80.3	118.5	177.8	-134.9	-88.1	0	0	0	107.8	A548	A548-F550 PolarHBondContact O-N 3.4Å
551	W	52.1	Low	56.1	Low	164 Å²	164	119.9 Å²	119.9	62%	0.621	65%	0.654	S	S	*	*			trans	-117.5	120.3	164.4	-69	97.3	0	0	0	107.3	L55 P549 E553	L55-W551 HydrophobicContact CD1-CH2 4.31Å; L55-W551 HydrophobicContact CD1-CZ2 3.71Å; L55-W551 HydrophobicContact CD2-CH2 4.33Å; L55-W551 HydrophobicContact CD2-CZ2 3.95Å; L55-W551 HydrophobicContact CG-CZ2 3.82Å; P549-W551 PolarHBondContact O-N 3.19Å; W551-E553 PolarHBondContact O-N 3.45Å
552	P	39.3	Very low	53.4	Low	104 Å²	104	117 Å²	117	68%	0.675	66%	0.659	S	S	*	*			trans	-64.7	125	157.5	12.7	-2.8	0	0	0	106.8	Q554	P552-Q554 PolarHBondContact O-N 3.22Å
553	E	33.5	Very low	50.7	Low	169 Å²	169	116.8 Å²	116.8	79%	0.79	66%	0.662	S	S	*	*			trans	-53.9	109.2	160.3	-70.8	-178.4	157.9	0	0	106.1	W551 D555	W551-E553 PolarHBondContact O-N 3.45Å; E553-D555 PolarHBondContact O-N 2.89Å
554	Q	31.8	Very low	47.9	Very low	192 Å²	192	119.2 Å²	119.2	90%	0.897	68%	0.68	S	S	*	*			trans	-70.2	82.3	157.2	-94.5	-171.5	-12.3	0	0	105.6	P552 S556	P552-Q554 PolarHBondContact O-N 3.22Å; Q554-S556 VanDerWaalsContact C-N 3.34Å; Q554-S556 PolarHBondContact O-N 3.4Å
555	D	27.4	Very low	45	Very low	118 Å²	118	119.3 Å²	119.3	63%	0.631	69%	0.689	S	S	*	*			trans	-55.9	106.5	155.3	-100.7	-15.5	0	0	0	106.1	E553 S557	E553-D555 PolarHBondContact O-N 2.89Å; D555-S557 PolarHBondContact O-N 3.33Å
556	S	31.4	Very low	42.1	Very low	127 Å²	127	121.3 Å²	121.3	89%	0.888	70%	0.696	S	S	*	*	S	Bend	trans	-68.5	66.7	163.6	54.6	0	0	0	0	108.4	Q554	Q554-S556 VanDerWaalsContact C-N 3.34Å; Q554-S556 PolarHBondContact O-N 3.4Å
557	S	36.4	Very low	39.3	Very low	91 Å²	91	118.6 Å²	118.6	64%	0.636	69%	0.694	S	S	*	*			trans	-160.2	79.5	176	50.1	0	0	0	0	109	D555	D555-S557 PolarHBondContact O-N 3.33Å
558	G	35.3	Very low	36.7	Very low	59 Å²	59	121.6 Å²	121.6	61%	0.608	72%	0.718	S	S	*	*	S	Bend	trans	147	51	161.5	0	0	0	0	0	117.5
559	F	26.9	Very low	34.4	Very low	206 Å²	206	123.5 Å²	123.5	90%	0.904	72%	0.724	S	S	*	*			trans	-147.8	63.9	142.4	-83	-70.5	0	0	0	108.6	V561	F559-V561 VanDerWaalsContact C-N 3.29Å; F559-V561 PolarHBondContact O-N 3.48Å; F559-V561 VanDerWaalsContact O-N 3.08Å
560	G	26.5	Very low	32.7	Very low	76 Å²	76	127.1 Å²	127.1	78%	0.784	75%	0.747	S	S	*	*			trans	-68.9	94.9	155.4	0	0	0	0	0	107.4	S562	G560-S562 VanDerWaalsContact C-N 3.29Å; G560-S562 PolarHBondContact O-N 3.19Å
561	V	27.1	Very low	31.2	Very low	129 Å²	129	125.1 Å²	125.1	78%	0.782	75%	0.752	S	S	*	*			trans	-66.2	101.8	157.8	177.6	0	0	0	0	104.8	F559 S563	F559-V561 VanDerWaalsContact C-N 3.29Å; F559-V561 PolarHBondContact O-N 3.48Å; F559-V561 VanDerWaalsContact O-N 3.08Å; V561-S563 PolarHBondContact O-N 3.43Å
562	S	26.6	Very low	30.1	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	77%	0.766	S	S	*	*			trans	-55.5	106.9	169.1	39.1	0	0	0	0	108.3	G560 S564	G560-S562 VanDerWaalsContact C-N 3.29Å; G560-S562 PolarHBondContact O-N 3.19Å; S562-S564 PolarHBondContact O-N 2.95Å
563	S	26.9	Very low	29.8	Very low	112 Å²	112	125.4 Å²	125.4	78%	0.783	77%	0.772	S	S	*	*			trans	-64.2	91	159.4	54.1	0	0	0	0	107.4	V561 S565	V561-S563 PolarHBondContact O-N 3.43Å; S563-S565 VanDerWaalsContact C-N 3.31Å; S563-S565 PolarHBondContact O-N 3.43Å
564	S	26.2	Very low	29.7	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	78%	0.779	S	S	*	*			trans	-67.5	96.1	163.8	42.7	0	0	0	0	107.9	S562 F566	S562-S564 PolarHBondContact O-N 2.95Å; S564-F566 PolarHBondContact O-N 2.69Å; S564-F566 VanDerWaalsContact O-N 3.13Å
565	S	27.9	Very low	29.7	Very low	102 Å²	102	123.1 Å²	123.1	71%	0.713	77%	0.774	S	S	*	*			trans	-57	110.1	161.3	49.2	0	0	0	0	108.8	S563 S567	S563-S565 VanDerWaalsContact C-N 3.31Å; S563-S565 PolarHBondContact O-N 3.43Å; S565-S567 PolarHBondContact O-N 3.35Å; S565-S567 VanDerWaalsContact O-N 3.15Å
566	F	26.1	Very low	29.8	Very low	205 Å²	205	124.4 Å²	124.4	90%	0.899	78%	0.781	S	S	*	*			trans	-66.5	104.9	162.3	-98.7	-91.4	0	0	0	108.2	S564	S564-F566 PolarHBondContact O-N 2.69Å; S564-F566 VanDerWaalsContact O-N 3.13Å
567	S	29.6	Very low	29.9	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-94	137.9	162.7	-62.9	0	0	0	0	108.7	S565	S565-S567 PolarHBondContact O-N 3.35Å; S565-S567 VanDerWaalsContact O-N 3.15Å
568	P	30.2	Very low	29.8	Very low	116 Å²	116	128 Å²	128	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.7	154.8	179.6	29	-32.3	0	0	0	111.3
569	P	31.3	Very low	29.5	Very low	117 Å²	117	128.5 Å²	128.5	76%	0.76	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.3	152.4	-176.8	29.5	-33.4	0	0	0	111.7
570	P	32	Very low	29.8	Very low	116 Å²	116	127.5 Å²	127.5	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-73.2	158.3	178.5	31.1	-32.9	0	0	0	111.7
571	P	30.6	Very low	30.1	Very low	130 Å²	130	130.9 Å²	130.9	84%	0.844	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-72.4	140.3	-178.5	25.3	-24.3	0	0	0	111.6	A573	P571-A573 PolarHBondContact O-N 3.41Å
572	L	30	Very low	30.6	Very low	177 Å²	177	133.2 Å²	133.2	93%	0.927	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-63.8	121.8	172.4	-77.9	155.4	0	0	0	109.9
573	A	32.6	Very low	31.2	Very low	96 Å²	96	137.5 Å²	137.5	79%	0.793	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-89.3	124.9	164.1	0	0	0	0	0	108.8	P571	P571-A573 PolarHBondContact O-N 3.41Å
574	E	29.9	Very low	31.4	Very low	199 Å²	199	138.8 Å²	138.8	93%	0.93	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61.1	135.7	168.2	-69.9	173.2	146.9	0	0	110.7
575	S	32.4	Very low	31.7	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	81%	0.813	S	S	*	*			trans	-151.8	113.4	143.8	63.3	0	0	0	0	109.4
576	D	30.8	Very low	31.9	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	82%	0.819	S	S	*	*			trans	-38	137.1	161.7	-80.1	-50.1	0	0	0	113
577	H	32.8	Very low	32.2	Very low	164 Å²	164	139.5 Å²	139.5	76%	0.759	81%	0.814	S	S	*	*				-179.2	115.2	112.6	-99.9	-67.3	0	0	0	112.3
578	T	33.1	Very low	32.4	Very low	131 Å²	131	142.3 Å²	142.3	80%	0.804	82%	0.823	S	S	*	*			trans	55.7	123.8	134.3	58.2	0	0	0	0	120.5
579	G	30.7	Very low	32.6	Very low	69 Å²	69	144 Å²	144	71%	0.711	83%	0.828	S	S	*	*			trans	146.8	81.3	132.4	0	0	0	0	0	118.4
580	K	33	Very low	32.7	Very low	185 Å²	185	145.9 Å²	145.9	80%	0.804	83%	0.833	S	S	*	*				64.7	116	123.4	-76.9	-161.7	173.6	174.9	0	121.1
581	F	33.1	Very low	32.7	Very low	146 Å²	146	148.2 Å²	148.2	64%	0.64	84%	0.839	S	S	*	*				91.9	122.2	127.5	-86.5	-103.7	0	0	0	121.4
582	K	36.5	Very low	32.9	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	84%	0.839	S	S	*	*			trans	55.3	133.9	138.4	-70.1	-179.2	-173.8	167	0	117.2
583	S	39.7	Very low	33.1	Very low	192 Å²	192	147.3 Å²	147.3	100%	1.343	83%	0.831	S	S	*	*			cis	-161	0	29.8	0.2	0	0	0	0	108.7

Retrieved 583 of 583 residues in 1023.3 ms (Link to these results)

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