A0A096LXR0_POEFO Loading...

Kelch-like protein 15

AlphaFold DB , UniProt , Accession A0A096LXR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 668 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	29.9	Very low	234 Å²	234	143.1 Å²	143.1	100%	1.153	80%	0.795	S	S	*	*				0	142	0	-70.7	167.2	171.2	0	0	107.3
2	S	29.8	Very low	29.7	Very low	94 Å²	94	150.2 Å²	150.2	66%	0.657	80%	0.8	S	S	*	*			trans	18.1	113.3	160.6	53.7	0	0	0	0	119.1
3	D	29.9	Very low	29.4	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	79%	0.793	S	S	*	*				80.6	144.7	86.1	-62.1	-47.6	0	0	0	112.3
4	G	29.1	Very low	29.1	Very low	69 Å²	69	143.8 Å²	143.8	71%	0.711	81%	0.805	S	S	*	*			cis	-168.6	160.6	-7.2	0	0	0	0	0	106.8
5	A	31.8	Very low	28.9	Very low	89 Å²	89	138.5 Å²	138.5	74%	0.736	80%	0.796	S	S	*	*			cis	125	124.5	27.6	0	0	0	0	0	109
6	R	29	Very low	28.9	Very low	251 Å²	251	140 Å²	140	95%	0.947	80%	0.8	S	S	*	*			trans	69.3	160.1	164.2	-61.6	171.8	179	-177.9	-0.5	116.6
7	A	27.9	Very low	29	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	79%	0.792	S	S	*	*			cis	-156.7	151.4	-19.6	0	0	0	0	0	106.6
8	A	28.3	Very low	29	Very low	85 Å²	85	138.9 Å²	138.9	70%	0.702	79%	0.791	S	S	*	*			cis	83.2	133.4	36.5	0	0	0	0	0	115.2
9	W	28.4	Very low	28.9	Very low	245 Å²	245	142.6 Å²	142.6	93%	0.928	79%	0.791	S	S	*	*			trans	84.3	152.7	170.7	-68.9	32.2	0	0	0	119
10	S	27.4	Very low	28.8	Very low	72 Å²	72	145.7 Å²	145.7	50%	0.503	79%	0.789	S	S	.	*			cis	-173.3	163.3	-27.3	68.1	0	0	0	0	112.4
11	K	29.7	Very low	28.8	Very low	179 Å²	179	146.1 Å²	146.1	78%	0.778	79%	0.786	S	S	*	*			trans	39.2	132	140.2	-67.7	171.1	173.9	175.9	0	119.3
12	R	28	Very low	28.8	Very low	228 Å²	228	140.6 Å²	140.6	86%	0.86	77%	0.768	S	S	*	*				-178.5	171.7	70.3	-125.4	163.8	-73.8	-152.3	0.7	108.7
13	G	25.8	Very low	28.7	Very low	69 Å²	69	139.6 Å²	139.6	71%	0.711	77%	0.773	S	S	*	*			cis	-166.2	-156.8	9.2	0	0	0	0	0	112.7
14	C	24.5	Very low	28.6	Very low	142 Å²	142	141.9 Å²	141.9	96%	0.959	78%	0.775	S	S	*	*			trans	-111.1	163.5	-161.5	-52.8	0	0	0	0	116.7
15	G	26.9	Very low	28.7	Very low	64 Å²	64	147.5 Å²	147.5	66%	0.66	78%	0.782	S	S	*	*			trans	102.4	162.5	161.7	0	0	0	0	0	116
16	D	29.1	Very low	28.6	Very low	163 Å²	163	153.3 Å²	153.3	87%	0.872	79%	0.791	S	S	*	*			cis	-173.7	166.7	-20.5	-120.6	-64.7	0	0	0	108.2
17	S	29.4	Very low	28.6	Very low	94 Å²	94	150 Å²	150	66%	0.657	79%	0.786	S	S	*	*			cis	-155.4	-176.6	4.1	68.8	0	0	0	0	113
18	H	29.5	Very low	28.5	Very low	166 Å²	166	158 Å²	158	77%	0.769	80%	0.797	S	S	*	*			trans	21	110.6	158.7	-77.3	-26.9	0	0	0	123.7
19	R	26.9	Very low	28.3	Very low	210 Å²	210	164 Å²	164	79%	0.792	81%	0.807	S	S	*	*				65.8	100.2	106.3	-161	-163.4	-162.4	178.4	7.4	120.4
20	R	26.7	Very low	28.3	Very low	203 Å²	203	158.1 Å²	158.1	77%	0.766	80%	0.802	S	S	*	*				172.4	135.7	113	-96.4	-165.5	-171.4	-151.5	9.5	116.4
21	E	29.6	Very low	28.2	Very low	155 Å²	155	164 Å²	164	72%	0.724	82%	0.822	S	S	*	*			trans	69.8	157.2	144.2	-90.5	167.4	-103	0	0	121
22	P	36.2	Very low	28.1	Very low	119 Å²	119	166.8 Å²	166.8	77%	0.773	83%	0.827	S	S	*	*				-130.3	146.8	-106	39.5	-23.7	0	0	0	117.9
23	G	28.2	Very low	28.5	Very low	73 Å²	73	161 Å²	161	75%	0.753	82%	0.819	S	S	*	*			trans	-106.7	143.5	169	0	0	0	0	0	113.2
24	K	28.8	Very low	28.5	Very low	216 Å²	216	165.1 Å²	165.1	94%	0.939	82%	0.824	S	S	*	*			trans	-90	119.4	-170.4	-64.8	170.7	-178.7	170.8	0	113.1
25	H	30.6	Very low	28.6	Very low	186 Å²	186	163.3 Å²	163.3	86%	0.861	81%	0.813	S	S	*	*			trans	-77.1	147.5	163.6	-82.8	-72.4	0	0	0	112.1
26	K	29.6	Very low	28.5	Very low	212 Å²	212	164.9 Å²	164.9	92%	0.922	82%	0.82	S	S	*	*			trans	-108.2	95	166.3	-80.6	-173	177.7	179.6	0	110.9
27	H	28.7	Very low	28.3	Very low	182 Å²	182	165.3 Å²	165.3	84%	0.843	82%	0.817	S	S	*	*			trans	-119.4	144	149.5	-85.1	-66.8	0	0	0	108.1
28	R	26.7	Very low	28.3	Very low	254 Å²	254	168.1 Å²	168.1	96%	0.958	82%	0.823	S	S	*	*			trans	-137.9	106.5	162.6	-91.4	-170.7	165	-172.7	-6.8	109.3
29	K	24.3	Very low	28.1	Very low	211 Å²	211	166 Å²	166	92%	0.917	83%	0.827	S	S	*	*			trans	-82.6	163.8	154.4	-103.7	-174.7	172.3	-174.7	0	108.9
30	C	27.9	Very low	28.2	Very low	123 Å²	123	164.5 Å²	164.5	83%	0.831	83%	0.829	S	S	*	*			trans	-73.1	151.9	176.3	-50.3	0	0	0	0	112
31	E	24.4	Very low	28.3	Very low	194 Å²	194	160.6 Å²	160.6	91%	0.907	83%	0.83	S	S	*	*			trans	-159.6	175.1	131.4	-116.3	164.7	-145.5	0	0	111
32	R	28.9	Very low	28.3	Very low	238 Å²	238	157.6 Å²	157.6	90%	0.898	83%	0.832	S	S	*	*			trans	-81.8	-176.3	-176.2	-63.6	179.9	173.1	176.8	-2.8	110.2
33	P	35.3	Very low	28	Very low	106 Å²	106	159.8 Å²	159.8	69%	0.688	84%	0.835	S	S	*	*			cis	-147.8	-177.3	10.5	45.1	-24.6	0	0	0	119.1
34	L	26.8	Very low	28.2	Very low	157 Å²	157	162.6 Å²	162.6	82%	0.822	84%	0.838	S	S	*	*			trans	72.7	142.4	141.3	-83	161.2	0	0	0	124.8
35	S	25.1	Very low	28.2	Very low	104 Å²	104	163 Å²	163	73%	0.727	83%	0.833	S	S	*	*			trans	72.2	113.2	149.5	53.3	0	0	0	0	122.9
36	A	26.7	Very low	28.6	Very low	96 Å²	96	160.4 Å²	160.4	79%	0.793	83%	0.833	S	S	*	*			trans	45.1	129.6	135.2	0	0	0	0	0	120.2
37	Q	24.5	Very low	28.9	Very low	173 Å²	173	154.2 Å²	154.2	81%	0.808	83%	0.829	S	S	*	*				-164.5	154.7	66	-87.1	-179.7	-24.2	0	0	114.1
38	L	29	Very low	29.3	Very low	152 Å²	152	150.8 Å²	150.8	80%	0.796	83%	0.826	S	S	*	*			trans	35.1	113.6	145.4	-68.8	155.8	0	0	0	120.4
39	S	25.8	Very low	30.1	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	81%	0.808	S	S	*	*			trans	-122.6	137	145.1	53.1	0	0	0	0	109.8
40	Q	27.9	Very low	31	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-87.8	155.5	178	-82.5	-175.7	-16.5	0	0	111.5
41	P	30	Very low	32	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-71.6	144.1	-174.8	29.2	-35.7	0	0	0	112.9
42	A	28.1	Very low	33.1	Very low	92 Å²	92	137.4 Å²	137.4	76%	0.76	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-75.5	128.7	174.4	0	0	0	0	0	111.3	V44	A42-V44 PolarHBondContact O-N 3.15Å; A42-V44 VanDerWaalsContact O-N 3.16Å
43	I	31.7	Very low	34.1	Very low	165 Å²	165	134.5 Å²	134.5	85%	0.846	77%	0.766	S	S	*	*			trans	-76.2	101.5	176.2	-58.9	173.8	0	0	0	109.2
44	V	31.2	Very low	34.5	Very low	132 Å²	132	134.4 Å²	134.4	80%	0.8	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-78.5	123.4	174.1	-175.2	0	0	0	0	109.5	A42	A42-V44 PolarHBondContact O-N 3.15Å; A42-V44 VanDerWaalsContact O-N 3.16Å
45	R	29.3	Very low	35.6	Very low	224 Å²	224	130.9 Å²	130.9	85%	0.845	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-81.1	135.3	170.9	-70.4	-177.3	173.7	-172.3	-2.4	110.3
46	P	38	Very low	36.9	Very low	131 Å²	131	128.7 Å²	128.7	85%	0.851	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-75.6	135.9	176.3	31.2	-34.1	0	0	0	111
47	G	35.6	Very low	38.7	Very low	82 Å²	82	132.9 Å²	132.9	85%	0.845	77%	0.773	S	S	*	*			trans	171.3	60.3	-179.5	0	0	0	0	0	117.5
48	S	39	Very low	40.8	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	77%	0.766	S	S	*	*			trans	-152.8	124.8	156.9	-170.3	0	0	0	0	110.5
49	K	42.8	Very low	43.2	Very low	137 Å²	137	130.6 Å²	130.6	60%	0.596	77%	0.765	S	S	*	*			trans	-91.4	124.4	175.4	-69.5	-173	179.3	-175.5	0	109.1	C51 E59 Y61	K49-C51 PolarHBondContact O-N 2.84Å; K49-E59 IonicContact NZ-OE2 3.73Å; K49-Y61 HydrophobicContact CD-CD2 4.45Å; K49-Y61 HydrophobicContact CG-CD2 4.33Å; K49-Y61 HydrophobicContact CG-CE2 4.46Å
50	R	42.5	Very low	46	Very low	200 Å²	200	128.4 Å²	128.4	76%	0.755	75%	0.747	S	S	*	*			trans	-89.8	89.6	165.1	-158.8	176.9	-166.3	-179.9	3.2	108.8
51	C	49	Very low	48.9	Very low	71 Å²	71	127.2 Å²	127.2	48%	0.48	74%	0.736	S	S	.	*			trans	-77.7	130.4	177.2	-166.8	0	0	0	0	110.1	K49	K49-C51 PolarHBondContact O-N 2.84Å
52	V	48.8	Very low	51.6	Low	94 Å²	94	125.6 Å²	125.6	57%	0.57	72%	0.72	S	S	*	*			trans	-104.8	110	173.2	179.5	0	0	0	0	107.5	S54 L62	V52-S54 PolarHBondContact O-N 2.83Å; V52-L62 HydrophobicContact CG2-CD1 4.43Å
53	M	49.8	Very low	54.5	Low	176 Å²	176	123.1 Å²	123.1	87%	0.867	70%	0.697	S	S	*	*			trans	-73.1	113.2	179	-74.4	-70	-177.1	0	0	110.6
54	S	43.7	Very low	57.3	Low	105 Å²	105	122.3 Å²	122.3	73%	0.734	69%	0.689	S	S	*	*			trans	-120.9	139	159.7	-170.5	0	0	0	0	107.3	V52	V52-S54 PolarHBondContact O-N 2.83Å
55	G	48.4	Very low	60.2	Low	83 Å²	83	120.7 Å²	120.7	86%	0.856	68%	0.68	S	S	*	*	S	Bend	trans	-73.8	133.7	-159.5	0	0	0	0	0	115.5
56	G	52.1	Low	63.2	Low	58 Å²	58	115.3 Å²	115.3	60%	0.598	66%	0.664	S	S	*	*	S	Bend	trans	103.9	104	167.3	0	0	0	0	0	114.4	V58	G56-V58 PolarHBondContact O-N 2.79Å
57	D	64.6	Low	65.5	Low	183 Å²	183	114.9 Å²	114.9	98%	0.979	66%	0.655	S	S	*	*	S	Bend	trans	47	6.6	163.9	-64.9	-1.4	0	0	0	120.5
58	V	69.7	Low	68	Low	109 Å²	109	113 Å²	113	66%	0.661	64%	0.635	S	S	*	*			trans	-109.6	113.5	-179.4	179.4	0	0	0	0	111.7	G56 V60	G56-V58 PolarHBondContact O-N 2.79Å; V58-V60 HydrophobicContact CG1-CG2 4.14Å
59	E	80	Confident	70.5	Confident	169 Å²	169	111.3 Å²	111.3	79%	0.79	62%	0.623	S	S	*	*			trans	-82.1	132	163.1	-75.2	-155.2	174.3	0	0	111.2	K49	K49-E59 IonicContact NZ-OE2 3.73Å
60	V	83.4	Confident	72.8	Confident	75 Å²	75	107.9 Å²	107.9	46%	0.455	61%	0.613	S	S	.	*			trans	-111.1	122.1	173.5	-177	0	0	0	0	110.3	V58 L62	V58-V60 HydrophobicContact CG1-CG2 4.14Å; V60-L62 HydrophobicContact CG1-CD2 4.36Å; V60-L62 HydrophobicContact CG1-CG 4.4Å
61	Y	88.3	Confident	75	Confident	155 Å²	155	100.5 Å²	100.5	61%	0.608	59%	0.592	S	S	*	*			trans	-102.3	122.1	174	172.5	-111.1	0	0	0	111.4	K49	K49-Y61 HydrophobicContact CD-CD2 4.45Å; K49-Y61 HydrophobicContact CG-CD2 4.33Å; K49-Y61 HydrophobicContact CG-CE2 4.46Å
62	L	87.1	Confident	77.1	Confident	87 Å²	87	99.9 Å²	99.9	46%	0.455	59%	0.589	S	S	.	*			trans	-107.9	108.8	176.1	-63.8	170.3	0	0	0	110.2	V52 V60 Q64	V52-L62 HydrophobicContact CG2-CD1 4.43Å; V60-L62 HydrophobicContact CG1-CD2 4.36Å; V60-L62 HydrophobicContact CG1-CG 4.4Å; L62-Q64 PolarHBondContact O-N 3.35Å
63	S	89.9	Confident	79.2	Confident	39 Å²	39	96.9 Å²	96.9	27%	0.273	58%	0.577	S	S	.	*			trans	-76.2	119.3	179.3	177.5	0	0	0	0	111.6	V65	S63-V65 PolarHBondContact O-N 2.76Å; S63-V65 WeakPolarHBondContact OG-CG2 3.5Å; S63-V65 PolarHBondContact OG-N 3.42Å
64	Q	90.2	Very high	81.3	Confident	148 Å²	148	91.3 Å²	91.3	69%	0.692	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	0.6	178.2	-57.1	-61.7	-80.5	0	0	114	L62	L62-Q64 PolarHBondContact O-N 3.35Å
65	V	92	Very high	83.7	Confident	99 Å²	99	89.7 Å²	89.7	60%	0.6	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	0.4	-178	-60.6	0	0	0	0	113.5	S63 S69	S63-V65 PolarHBondContact O-N 2.76Å; S63-V65 WeakPolarHBondContact OG-CG2 3.5Å; S63-V65 PolarHBondContact OG-N 3.42Å; V65-S69 VanDerWaalsContact O-CB 3.27Å; V65-S69 WeakPolarHBondContact O-CB 3.4Å; V65-S69 PolarHBondContact O-N 3.09Å
66	H	91.7	Very high	85.9	Confident	111 Å²	111	87.7 Å²	87.7	51%	0.514	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-55.7	-175	-178.3	64.8	0	0	0	111.9	G68 S69 V70	H66-G68 VanDerWaalsContact C-N 3.29Å; H66-G68 PolarHBondContact O-N 3.29Å; H66-S69 CarbonylContact O-C 3.59Å; H66-S69 WeakPolarHBondContact O-CA 3.31Å; H66-S69 WeakPolarHBondContact O-CB 3.17Å; H66-S69 PolarHBondContact O-N 3.41Å; H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 2.97Å
67	D	86.6	Confident	88	Confident	122 Å²	122	87.2 Å²	87.2	65%	0.652	49%	0.485	S	S	*	.	H	α-helix	trans	-64.5	-36.2	-174.8	-39.3	-31	0	0	0	111.6	S71	D67-S71 WeakPolarHBondContact O-CB 3.23Å; D67-S71 PolarHBondContact O-N 2.87Å; D67-S71 PolarHBondContact O-OG 3.47Å
68	G	87.6	Confident	89.5	Confident	42 Å²	42	81.5 Å²	81.5	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-43.9	170.2	0	0	0	0	0	112.5	H66 S71 S72	H66-G68 VanDerWaalsContact C-N 3.29Å; H66-G68 PolarHBondContact O-N 3.29Å; G68-S71 PolarHBondContact O-OG 2.97Å; G68-S71 VanDerWaalsContact O-OG 3.1Å; G68-S72 WeakPolarHBondContact O-CB 3.39Å; G68-S72 PolarHBondContact O-N 2.94Å; G68-S72 PolarHBondContact O-OG 2.99Å
69	S	91.5	Very high	90.7	Very high	75 Å²	75	82.2 Å²	82.2	52%	0.524	45%	0.446	S	S	.	.	H	α-helix	trans	-67.6	-40.7	177.9	-175.5	0	0	0	0	112.6	V65 H66 S72 G73	V65-S69 VanDerWaalsContact O-CB 3.27Å; V65-S69 WeakPolarHBondContact O-CB 3.4Å; V65-S69 PolarHBondContact O-N 3.09Å; H66-S69 CarbonylContact O-C 3.59Å; H66-S69 WeakPolarHBondContact O-CA 3.31Å; H66-S69 WeakPolarHBondContact O-CB 3.17Å; H66-S69 PolarHBondContact O-N 3.41Å; S69-S72 WeakPolarHBondContact CA-OG 3.24Å; S69-S72 PolarHBondContact O-N 3.45Å; S69-S72 PolarHBondContact O-OG 3.43Å; S69-G73 PolarHBondContact O-N 2.98Å
70	V	91.5	Very high	91.4	Very high	64 Å²	64	80.6 Å²	80.6	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-64.8	-50.1	177	172.5	0	0	0	0	110.5	H66 S72 G73 F74	H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 2.97Å; V70-S72 VanDerWaalsContact C-N 3.33Å; V70-S72 PolarHBondContact O-N 2.81Å; V70-G73 PolarHBondContact O-N 3.23Å; V70-G73 VanDerWaalsContact O-N 3.08Å; V70-F74 HydrophobicContact CG1-CD2 4Å; V70-F74 HydrophobicContact CG1-CE2 3.95Å; V70-F74 WeakPolarHBondContact O-CD2 3.38Å; V70-F74 PolarHBondContact O-N 2.89Å
71	S	89.6	Confident	92	Very high	45 Å²	45	85.6 Å²	85.6	32%	0.315	45%	0.449	S	S	.	.	H	α-helix	trans	-65.9	-31.8	177.7	62.2	0	0	0	0	112.9	D67 G68 R75	D67-S71 WeakPolarHBondContact O-CB 3.23Å; D67-S71 PolarHBondContact O-N 2.87Å; D67-S71 PolarHBondContact O-OG 3.47Å; G68-S71 PolarHBondContact O-OG 2.97Å; G68-S71 VanDerWaalsContact O-OG 3.1Å; S71-R75 WeakPolarHBondContact O-CG 3.45Å; S71-R75 PolarHBondContact O-N 2.93Å; S71-R75 PolarHBondContact O-NE 2.8Å; S71-R75 PolarHBondContact OG-NH2 3.35Å
72	S	91.9	Very high	92.3	Very high	59 Å²	59	82 Å²	82	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-69.9	-32.9	170.4	65.6	0	0	0	0	112.8	G68 S69 V70 R75 A76	G68-S72 WeakPolarHBondContact O-CB 3.39Å; G68-S72 PolarHBondContact O-N 2.94Å; G68-S72 PolarHBondContact O-OG 2.99Å; S69-S72 WeakPolarHBondContact CA-OG 3.24Å; S69-S72 PolarHBondContact O-N 3.45Å; S69-S72 PolarHBondContact O-OG 3.43Å; V70-S72 VanDerWaalsContact C-N 3.33Å; V70-S72 PolarHBondContact O-N 2.81Å; S72-R75 PolarHBondContact O-N 2.89Å; S72-A76 PolarHBondContact O-N 2.89Å
73	G	93.9	Very high	92.6	Very high	30 Å²	30	84.4 Å²	84.4	31%	0.309	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-48.1	176	0	0	0	0	0	112.1	S69 V70 R75 A76 L77	S69-G73 PolarHBondContact O-N 2.98Å; V70-G73 PolarHBondContact O-N 3.23Å; V70-G73 VanDerWaalsContact O-N 3.08Å; G73-R75 VanDerWaalsContact C-N 3.3Å; G73-R75 PolarHBondContact O-N 3.48Å; G73-A76 PolarHBondContact O-N 3.26Å; G73-L77 WeakPolarHBondContact O-CG 3.47Å; G73-L77 PolarHBondContact O-N 2.79Å
74	F	93.8	Very high	92.8	Very high	60 Å²	60	84.2 Å²	84.2	26%	0.263	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-36.4	174.8	-83.4	-72.2	0	0	0	113	V70 Y78 H98 L101	V70-F74 HydrophobicContact CG1-CD2 4Å; V70-F74 HydrophobicContact CG1-CE2 3.95Å; V70-F74 WeakPolarHBondContact O-CD2 3.38Å; V70-F74 PolarHBondContact O-N 2.89Å; F74-Y78 WeakPolarHBondContact O-CB 3.47Å; F74-Y78 PolarHBondContact O-N 2.94Å; F74-H98 HydrophobicContact CD1-CB 4.37Å; F74-H98 AromaticContact CD1-ND1 3.73Å; F74-H98 HydrophobicContact CE1-CB 4.28Å; F74-H98 PolarHBondContact O-CE1 3.37Å; F74-L101 HydrophobicContact CB-CD2 4.37Å; F74-L101 HydrophobicContact CD1-CB 4.33Å; F74-L101 HydrophobicContact CD2-CD1 4.42Å; F74-L101 HydrophobicContact CE1-CB 4.49Å; F74-L101 HydrophobicContact CG-CD1 4.36Å
75	R	94.4	Very high	93	Very high	71 Å²	71	80.6 Å²	80.6	27%	0.268	43%	0.434	S	S	.	.	H	α-helix	trans	-62.9	-50	172.7	-80.3	173.8	-86.1	-176.9	-6.4	112.5	S71 S72 G73 L77 Y78 E79 Y143 Y144	S71-R75 WeakPolarHBondContact O-CG 3.45Å; S71-R75 PolarHBondContact O-N 2.93Å; S71-R75 PolarHBondContact O-NE 2.8Å; S71-R75 PolarHBondContact OG-NH2 3.35Å; S72-R75 PolarHBondContact O-N 2.89Å; G73-R75 VanDerWaalsContact C-N 3.3Å; G73-R75 PolarHBondContact O-N 3.48Å; R75-L77 PolarHBondContact O-N 3.01Å; R75-Y78 PolarHBondContact O-N 3.2Å; R75-Y78 VanDerWaalsContact O-N 3.15Å; R75-E79 WeakPolarHBondContact O-CG 3.45Å; R75-E79 PolarHBondContact O-N 2.71Å; R75-Y143 WeakPolarHBondContact CD-O 3.1Å; R75-Y143 WeakPolarHBondContact CG-O 3.12Å; R75-Y143 PolarHBondContact NE-O 3.33Å; R75-Y144 HydrophobicContact CG-CD1 4.23Å; R75-Y144 HydrophobicContact CG-CE1 4.21Å
76	A	95.1	Very high	93.2	Very high	40 Å²	40	76 Å²	76	33%	0.331	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-45.1	177.8	0	0	0	0	0	111.8	S72 G73 Y78 E79 E80	S72-A76 PolarHBondContact O-N 2.89Å; G73-A76 PolarHBondContact O-N 3.26Å; A76-Y78 VanDerWaalsContact C-N 3.29Å; A76-Y78 PolarHBondContact O-N 2.93Å; A76-E79 PolarHBondContact O-N 3.31Å; A76-E80 WeakPolarHBondContact O-CB 3.17Å; A76-E80 WeakPolarHBondContact O-CG 3.23Å; A76-E80 PolarHBondContact O-N 3.14Å
77	L	96.3	Very high	93.4	Very high	49 Å²	49	71.8 Å²	71.8	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-37.8	175.2	-69.9	170.8	0	0	0	112.5	G73 R75 R81 L82 L83 H98	G73-L77 WeakPolarHBondContact O-CG 3.47Å; G73-L77 PolarHBondContact O-N 2.79Å; R75-L77 PolarHBondContact O-N 3.01Å; L77-R81 CarbonylContact O-C 3.23Å; L77-R81 WeakPolarHBondContact O-CA 3.37Å; L77-R81 PolarHBondContact O-N 3.26Å; L77-L82 HydrophobicContact CD2-CB 3.76Å; L77-L82 HydrophobicContact CD2-CD1 4.3Å; L77-L82 PolarHBondContact O-N 3.45Å; L77-L83 HydrophobicContact CD1-CD1 4.28Å; L77-L83 HydrophobicContact CD2-CD1 4.16Å; L77-H98 WeakPolarHBondContact CB-CE1 3.46Å
78	Y	95.5	Very high	93.8	Very high	63 Å²	63	66 Å²	66	25%	0.247	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-43.5	177.1	176.8	-102.7	0	0	0	112.5	F74 R75 A76 R81 L84 Q96 H98 L139 Y143 Y144	F74-Y78 WeakPolarHBondContact O-CB 3.47Å; F74-Y78 PolarHBondContact O-N 2.94Å; R75-Y78 PolarHBondContact O-N 3.2Å; R75-Y78 VanDerWaalsContact O-N 3.15Å; A76-Y78 VanDerWaalsContact C-N 3.29Å; A76-Y78 PolarHBondContact O-N 2.93Å; Y78-R81 PolarHBondContact O-N 3.29Å; Y78-R81 VanDerWaalsContact O-N 3.13Å; Y78-L84 HydrophobicContact CD2-CD2 4.07Å; Y78-Q96 WeakPolarHBondContact CE2-O 3.4Å; Y78-H98 WeakPolarHBondContact CA-CE1 3.41Å; Y78-H98 WeakPolarHBondContact CB-CE1 3.49Å; Y78-H98 PolarHBondContact N-CE1 3.22Å; Y78-L139 HydrophobicContact CE2-CD2 4.49Å; Y78-Y143 VanDerWaalsContact CB-CE1 3.43Å; Y78-Y143 HydrophobicContact CD1-CD1 4.34Å; Y78-Y143 HydrophobicContact CD1-CD2 4.41Å; Y78-Y143 HydrophobicContact CD1-CG 4.28Å; Y78-Y143 HydrophobicContact CD2-CD1 4.37Å; Y78-Y143 HydrophobicContact CD2-CD2 4.11Å; Y78-Y143 AromaticContact CD2-CE1 3.84Å; Y78-Y143 HydrophobicContact CD2-CE1 3.84Å; Y78-Y143 AromaticContact CD2-CE2 3.53Å; Y78-Y143 HydrophobicContact CD2-CE2 3.53Å; Y78-Y143 AromaticContact CD2-CZ 3.38Å; Y78-Y143 HydrophobicContact CE1-CD2 4.46Å; Y78-Y143 HydrophobicContact CE2-CD2 4.15Å; Y78-Y143 AromaticContact CE2-CE2 3.68Å; Y78-Y143 HydrophobicContact CE2-CE2 3.68Å; Y78-Y143 AromaticContact CG-CD1 3.93Å; Y78-Y143 HydrophobicContact CG-CD1 3.93Å; Y78-Y143 HydrophobicContact CG-CD2 4.24Å; Y78-Y143 AromaticContact CG-CE1 3.72Å; Y78-Y143 HydrophobicContact CG-CE1 3.72Å; Y78-Y143 HydrophobicContact CG-CE2 4.03Å; Y78-Y143 HydrophobicContact CG-CG 4.19Å; Y78-Y143 AromaticContact CG-CZ 3.77Å; Y78-Y144 HydrophobicContact CE1-CE2 4.49Å
79	E	94.3	Very high	94.2	Very high	123 Å²	123	64.8 Å²	64.8	58%	0.575	34%	0.341	S	S	*	.	H	α-helix	trans	-64.8	-39	177.2	-71.2	174.6	-179.4	0	0	112.1	R75 A76 R81 Y144	R75-E79 WeakPolarHBondContact O-CG 3.45Å; R75-E79 PolarHBondContact O-N 2.71Å; A76-E79 PolarHBondContact O-N 3.31Å; E79-R81 VanDerWaalsContact C-N 3.29Å; E79-R81 PolarHBondContact O-N 3.11Å; E79-Y144 WeakPolarHBondContact CG-OH 3.4Å; E79-Y144 VanDerWaalsContact OE1-CE1 3.31Å; E79-Y144 WeakPolarHBondContact OE1-CE1 3.34Å; E79-Y144 PolarHBondContact OE1-OH 3.13Å
80	E	95.9	Very high	94.4	Very high	135 Å²	135	61.2 Å²	61.2	63%	0.631	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.9	173.7	-65.3	180	-170.1	0	0	113.7	A76 L82	A76-E80 WeakPolarHBondContact O-CB 3.17Å; A76-E80 WeakPolarHBondContact O-CG 3.23Å; A76-E80 PolarHBondContact O-N 3.14Å; E80-L82 VanDerWaalsContact C-N 3.29Å; E80-L82 HydrophobicContact CB-CD1 4.06Å; E80-L82 HydrophobicContact CB-CG 3.9Å; E80-L82 PolarHBondContact O-N 1.95Å; E80-L82 VanDerWaalsContact OE2-CD1 3.3Å; E80-L82 WeakPolarHBondContact OE2-CD1 3.34Å
81	R	95.1	Very high	94.5	Very high	180 Å²	180	63.7 Å²	63.7	68%	0.679	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.6	-174.6	-57.7	-172.8	178.6	-141	3.5	115.5	L77 Y78 E79 L84	L77-R81 CarbonylContact O-C 3.23Å; L77-R81 WeakPolarHBondContact O-CA 3.37Å; L77-R81 PolarHBondContact O-N 3.26Å; Y78-R81 PolarHBondContact O-N 3.29Å; Y78-R81 VanDerWaalsContact O-N 3.13Å; E79-R81 VanDerWaalsContact C-N 3.29Å; E79-R81 PolarHBondContact O-N 3.11Å; R81-L84 HydrophobicContact CB-CD1 3.94Å; R81-L84 HydrophobicContact CG-CD1 4.32Å
82	L	94.1	Very high	94.5	Very high	80 Å²	80	70 Å²	70	42%	0.419	35%	0.348	S	S	.	.			trans	-90.6	143.8	178.8	-60.8	-179.2	0	0	0	112.3	L77 E80 L84 H98	L77-L82 HydrophobicContact CD2-CB 3.76Å; L77-L82 HydrophobicContact CD2-CD1 4.3Å; L77-L82 PolarHBondContact O-N 3.45Å; E80-L82 VanDerWaalsContact C-N 3.29Å; E80-L82 HydrophobicContact CB-CD1 4.06Å; E80-L82 HydrophobicContact CB-CG 3.9Å; E80-L82 PolarHBondContact O-N 1.95Å; E80-L82 VanDerWaalsContact OE2-CD1 3.3Å; E80-L82 WeakPolarHBondContact OE2-CD1 3.34Å; L82-L84 PolarHBondContact O-N 3.39Å; L82-L84 VanDerWaalsContact O-N 3.11Å; L82-H98 PolarHBondContact O-NE2 2.99Å
83	L	93.7	Very high	94.7	Very high	138 Å²	138	72.2 Å²	72.2	72%	0.723	35%	0.351	S	S	*	.	S	Bend	trans	59.5	16.3	174.4	-53.5	177.6	0	0	0	115.8	L77 D85 H98	L77-L83 HydrophobicContact CD1-CD1 4.28Å; L77-L83 HydrophobicContact CD2-CD1 4.16Å; L83-D85 PolarHBondContact O-N 3.36Å; L83-H98 VanDerWaalsContact C-NE2 3.29Å; L83-H98 PolarHBondContact O-CD2 2.91Å; L83-H98 VanDerWaalsContact O-CD2 3.29Å
84	L	94.8	Very high	94.8	Very high	35 Å²	35	77.6 Å²	77.6	18%	0.183	37%	0.368	C	S	.	.			trans	-68.7	114.6	176.9	-58.3	172.4	0	0	0	110.2	Y78 R81 L82 Q96 A97 H98	Y78-L84 HydrophobicContact CD2-CD2 4.07Å; R81-L84 HydrophobicContact CB-CD1 3.94Å; R81-L84 HydrophobicContact CG-CD1 4.32Å; L82-L84 PolarHBondContact O-N 3.39Å; L82-L84 VanDerWaalsContact O-N 3.11Å; L84-Q96 HydrophobicContact CB-CB 4.26Å; L84-Q96 HydrophobicContact CD1-CB 3.73Å; L84-A97 WeakPolarHBondContact CA-O 3.48Å; L84-H98 PolarHBondContact N-NE2 3.09Å
85	D	94.3	Very high	94.9	Very high	72 Å²	72	76.4 Å²	76.4	39%	0.385	36%	0.363	S	S	.	.			trans	-113.9	6.8	-167.7	65	-21.5	0	0	0	113.6	L83 A97 H98 K99	L83-D85 PolarHBondContact O-N 3.36Å; D85-A97 PolarHBondContact N-O 3.37Å; D85-A97 VanDerWaalsContact N-O 3.14Å; D85-H98 VanDerWaalsContact OD1-CA 3.24Å; D85-H98 WeakPolarHBondContact OD1-CA 3.41Å; D85-K99 VanDerWaalsContact O-CE 3.23Å; D85-K99 WeakPolarHBondContact O-CE 3.43Å; D85-K99 PolarHBondContact OD1-N 3.14Å; D85-K99 WeakPolarHBondContact OD2-CB 3.5Å
86	V	95.1	Very high	95	Very high	3 Å²	3	76.7 Å²	76.7	2%	0.018	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.1	167.4	63.6	0	0	0	0	111.7	L88 Q96 A97 K99 L102 F113 I125	V86-L88 HydrophobicContact CG2-CD2 3.74Å; V86-L88 HydrophobicContact CG2-CG 4.29Å; V86-Q96 CarbonylContact O-C 3.56Å; V86-Q96 WeakPolarHBondContact O-CA 3.22Å; V86-A97 HydrophobicContact CG1-CB 4.03Å; V86-A97 PolarHBondContact N-O 3.12Å; V86-A97 PolarHBondContact O-N 3.46Å; V86-K99 HydrophobicContact CB-CD 4.32Å; V86-K99 HydrophobicContact CB-CG 3.68Å; V86-K99 HydrophobicContact CG1-CG 3.81Å; V86-L102 HydrophobicContact CG1-CD1 4.08Å; V86-F113 HydrophobicContact CG1-CZ 4.48Å; V86-F113 HydrophobicContact CG2-CE1 4.44Å; V86-F113 HydrophobicContact CG2-CZ 4.36Å; V86-I125 HydrophobicContact CG2-CD1 3.82Å; V86-I125 HydrophobicContact CG2-CG1 4.48Å
87	T	96.2	Very high	95.1	Very high	22 Å²	22	74.8 Å²	74.8	14%	0.135	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.9	164.6	-50.5	0	0	0	0	109.6	L89 H94 F95 Q96 D123 K124 I125	T87-L89 HydrophobicContact CG2-CD2 3.84Å; T87-H94 HydrophobicContact CG2-CB 4.07Å; T87-F95 CarbonylContact C-O 3.58Å; T87-F95 WeakPolarHBondContact CA-O 3.44Å; T87-Q96 HydrophobicContact CG2-CG 4.26Å; T87-D123 PolarHBondContact N-O 3.31Å; T87-K124 VanDerWaalsContact O-CA 3.31Å; T87-K124 WeakPolarHBondContact O-CA 3.42Å; T87-I125 PolarHBondContact O-N 2.89Å
88	L	95.9	Very high	95.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.8	173.7	-54.6	174.9	0	0	0	109	V86 F95 L102 F109 I125 M127 F135	V86-L88 HydrophobicContact CG2-CD2 3.74Å; V86-L88 HydrophobicContact CG2-CG 4.29Å; L88-F95 HydrophobicContact CB-CB 4.31Å; L88-F95 PolarHBondContact N-O 2.84Å; L88-F95 PolarHBondContact O-N 2.65Å; L88-L102 HydrophobicContact CD1-CD1 3.93Å; L88-F109 HydrophobicContact CD1-CE1 3.86Å; L88-F109 HydrophobicContact CD1-CZ 3.67Å; L88-F109 HydrophobicContact CD2-CE1 4.19Å; L88-I125 HydrophobicContact CD2-CB 4.12Å; L88-I125 HydrophobicContact CD2-CD1 4.4Å; L88-M127 HydrophobicContact CB-SD 4.12Å; L88-M127 HydrophobicContact CD1-SD 3.9Å; L88-M127 HydrophobicContact CD2-SD 3.93Å; L88-M127 HydrophobicContact CG-SD 4.2Å; L88-F135 HydrophobicContact CD1-CE1 3.91Å; L88-F135 HydrophobicContact CD1-CE2 4.4Å; L88-F135 HydrophobicContact CD1-CZ 3.47Å; L88-F135 VanDerWaalsContact CD1-CZ 3.47Å
89	L	95.8	Very high	95	Very high	17 Å²	17	71.4 Å²	71.4	9%	0.089	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.9	-175.6	-53.8	175.8	0	0	0	108.1	T87 H94 K124 I125 H126 M127	T87-L89 HydrophobicContact CG2-CD2 3.84Å; L89-H94 HydrophobicContact CD2-CB 4.3Å; L89-H94 WeakPolarHBondContact CD2-CD2 3.46Å; L89-K124 HydrophobicContact CD1-CB 4.08Å; L89-I125 PolarHBondContact N-O 2.99Å; L89-H126 VanDerWaalsContact CD1-CE1 3.4Å; L89-H126 WeakPolarHBondContact CD1-CE1 3.36Å; L89-H126 WeakPolarHBondContact CD1-NE2 3.42Å; L89-M127 PolarHBondContact O-N 3.4Å
90	I	95.8	Very high	94.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120	-175.3	-68.7	166	0	0	0	107.4	E92 H93 F95 M127 L130 A132 F135	I90-E92 PolarHBondContact O-N 3.08Å; I90-H93 PolarHBondContact N-O 2.7Å; I90-H93 VanDerWaalsContact N-O 3.09Å; I90-H93 WeakPolarHBondContact O-CA 3.24Å; I90-H93 WeakPolarHBondContact O-CB 3.15Å; I90-H93 PolarHBondContact O-N 3.36Å; I90-F95 HydrophobicContact CB-CD2 4.38Å; I90-F95 HydrophobicContact CB-CE2 4.2Å; I90-F95 HydrophobicContact CD1-CD2 4.27Å; I90-F95 HydrophobicContact CD1-CE2 4.48Å; I90-M127 HydrophobicContact CD1-CB 4.27Å; I90-M127 HydrophobicContact CD1-SD 4.15Å; I90-M127 HydrophobicContact CG1-CB 3.76Å; I90-L130 HydrophobicContact CD1-CD1 4.1Å; I90-L130 HydrophobicContact CG2-CB 3.98Å; I90-L130 WeakPolarHBondContact CG2-O 3.4Å; I90-A132 HydrophobicContact CG2-CB 4.31Å; I90-F135 HydrophobicContact CD1-CB 3.63Å; I90-F135 HydrophobicContact CD1-CD1 3.36Å; I90-F135 HydrophobicContact CD1-CD2 3.87Å; I90-F135 HydrophobicContact CD1-CE1 3.97Å; I90-F135 HydrophobicContact CD1-CE2 4.42Å; I90-F135 HydrophobicContact CD1-CG 3.3Å; I90-F135 HydrophobicContact CD1-CZ 4.47Å
91	E	92.6	Very high	94.8	Very high	116 Å²	116	62.7 Å²	62.7	54%	0.542	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-132.4	-167.6	-55.6	173.3	134.9	0	0	109.5	H93 A132	E91-H93 VanDerWaalsContact C-N 3.3Å; E91-A132 VanDerWaalsContact OE2-CB 3.3Å; E91-A132 WeakPolarHBondContact OE2-CB 3.43Å; E91-A132 PolarHBondContact OE2-N 3.03Å
92	E	91.1	Very high	94.8	Very high	178 Å²	178	54.1 Å²	54.1	83%	0.832	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	12	174.6	-55	-58.4	136.3	0	0	113.3	I90	I90-E92 PolarHBondContact O-N 3.08Å
93	H	94.9	Very high	94.9	Very high	104 Å²	104	51 Å²	51	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.9	-172.6	-64	90.1	0	0	0	113.2	I90 E91 F95 A132	I90-H93 PolarHBondContact N-O 2.7Å; I90-H93 VanDerWaalsContact N-O 3.09Å; I90-H93 WeakPolarHBondContact O-CA 3.24Å; I90-H93 WeakPolarHBondContact O-CB 3.15Å; I90-H93 PolarHBondContact O-N 3.36Å; E91-H93 VanDerWaalsContact C-N 3.3Å; H93-F95 HydrophobicContact CB-CD2 4.4Å; H93-F95 HydrophobicContact CB-CE2 3.69Å; H93-F95 HydrophobicContact CB-CZ 4.17Å; H93-A132 HydrophobicContact CB-CB 3.76Å; H93-A132 WeakPolarHBondContact ND1-CB 3.43Å
94	H	95.8	Very high	94.8	Very high	144 Å²	144	49.3 Å²	49.3	67%	0.667	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	110.4	-178.7	-57.5	165.3	0	0	0	110.8	T87 L89	T87-H94 HydrophobicContact CG2-CB 4.07Å; L89-H94 HydrophobicContact CD2-CB 4.3Å; L89-H94 WeakPolarHBondContact CD2-CD2 3.46Å
95	F	96.6	Very high	94.7	Very high	35 Å²	35	51.5 Å²	51.5	15%	0.154	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	105.9	178.1	-64.8	-85.4	0	0	0	110.3	T87 L88 I90 H93 A132 F135 L139	T87-F95 CarbonylContact C-O 3.58Å; T87-F95 WeakPolarHBondContact CA-O 3.44Å; L88-F95 HydrophobicContact CB-CB 4.31Å; L88-F95 PolarHBondContact N-O 2.84Å; L88-F95 PolarHBondContact O-N 2.65Å; I90-F95 HydrophobicContact CB-CD2 4.38Å; I90-F95 HydrophobicContact CB-CE2 4.2Å; I90-F95 HydrophobicContact CD1-CD2 4.27Å; I90-F95 HydrophobicContact CD1-CE2 4.48Å; H93-F95 HydrophobicContact CB-CD2 4.4Å; H93-F95 HydrophobicContact CB-CE2 3.69Å; H93-F95 HydrophobicContact CB-CZ 4.17Å; F95-A132 HydrophobicContact CE2-CB 3.99Å; F95-A132 HydrophobicContact CZ-CB 4Å; F95-A132 VanDerWaalsContact CZ-O 3.29Å; F95-A132 WeakPolarHBondContact CZ-O 3.4Å; F95-F135 HydrophobicContact CB-CD1 4.46Å; F95-F135 HydrophobicContact CB-CE1 4.05Å; F95-F135 HydrophobicContact CD1-CD1 4.21Å; F95-F135 HydrophobicContact CD1-CE1 4.42Å; F95-F135 AromaticContact CD2-CD1 3.91Å; F95-F135 HydrophobicContact CD2-CD1 3.91Å; F95-F135 HydrophobicContact CD2-CE1 4.32Å; F95-F135 HydrophobicContact CE1-CD1 4.45Å; F95-F135 HydrophobicContact CE2-CD1 4.18Å; F95-F135 AromaticContact CG-CD1 3.93Å; F95-F135 HydrophobicContact CG-CD1 3.93Å; F95-F135 HydrophobicContact CG-CE1 4.01Å; F95-F135 HydrophobicContact CZ-CD1 4.45Å; F95-L139 HydrophobicContact CB-CD2 4.08Å; F95-L139 HydrophobicContact CD1-CD2 3.78Å; F95-L139 HydrophobicContact CG-CD2 4.33Å
96	Q	96.2	Very high	94.8	Very high	77 Å²	77	48.2 Å²	48.2	36%	0.36	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.4	173.8	-58	-174.7	-88.6	0	0	109.8	Y78 L84 V86 T87	Y78-Q96 WeakPolarHBondContact CE2-O 3.4Å; L84-Q96 HydrophobicContact CB-CB 4.26Å; L84-Q96 HydrophobicContact CD1-CB 3.73Å; V86-Q96 CarbonylContact O-C 3.56Å; V86-Q96 WeakPolarHBondContact O-CA 3.22Å; T87-Q96 HydrophobicContact CG2-CG 4.26Å
97	A	96.5	Very high	94.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	176.7	-174.5	0	0	0	0	0	112.4	L84 D85 V86 L102 L139	L84-A97 WeakPolarHBondContact CA-O 3.48Å; D85-A97 PolarHBondContact N-O 3.37Å; D85-A97 VanDerWaalsContact N-O 3.14Å; V86-A97 HydrophobicContact CG1-CB 4.03Å; V86-A97 PolarHBondContact N-O 3.12Å; V86-A97 PolarHBondContact O-N 3.46Å; A97-L102 HydrophobicContact CB-CD1 3.83Å; A97-L102 HydrophobicContact CB-CG 4.26Å; A97-L139 HydrophobicContact CB-CD1 4.14Å
98	H	96.1	Very high	94.5	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.032	27%	0.268	C	S	.	.			trans	-98.2	116.1	171.3	-56.8	111.8	0	0	0	110.6	F74 L77 Y78 L82 L83 L84 D85 A100 L101 L102 Y143	F74-H98 HydrophobicContact CD1-CB 4.37Å; F74-H98 AromaticContact CD1-ND1 3.73Å; F74-H98 HydrophobicContact CE1-CB 4.28Å; F74-H98 PolarHBondContact O-CE1 3.37Å; L77-H98 WeakPolarHBondContact CB-CE1 3.46Å; Y78-H98 WeakPolarHBondContact CA-CE1 3.41Å; Y78-H98 WeakPolarHBondContact CB-CE1 3.49Å; Y78-H98 PolarHBondContact N-CE1 3.22Å; L82-H98 PolarHBondContact O-NE2 2.99Å; L83-H98 VanDerWaalsContact C-NE2 3.29Å; L83-H98 PolarHBondContact O-CD2 2.91Å; L83-H98 VanDerWaalsContact O-CD2 3.29Å; L84-H98 PolarHBondContact N-NE2 3.09Å; D85-H98 VanDerWaalsContact OD1-CA 3.24Å; D85-H98 WeakPolarHBondContact OD1-CA 3.41Å; H98-A100 PolarHBondContact O-N 3.12Å; H98-L101 HydrophobicContact CB-CB 4.14Å; H98-L101 PolarHBondContact O-N 3.19Å; H98-L101 VanDerWaalsContact O-N 3.1Å; H98-L102 WeakPolarHBondContact O-CG 3.22Å; H98-L102 PolarHBondContact O-N 3Å; H98-L102 VanDerWaalsContact O-N 3.12Å; H98-Y143 AromaticContact CE1-CE1 3.92Å; H98-Y143 PolarHBondContact N-OH 2.96Å; H98-Y143 AromaticContact ND1-CE1 3.47Å; H98-Y143 WeakPolarHBondContact ND1-CE1 3.46Å; H98-Y143 AromaticContact ND1-CZ 3.56Å; H98-Y143 PolarHBondContact ND1-OH 2.55Å
99	K	93.9	Very high	94.5	Very high	34 Å²	34	53.2 Å²	53.2	15%	0.148	27%	0.268	C	S	.	.	H	α-helix	trans	-51.6	-41.7	176.3	-70	-178.2	172.1	174.4	0	111.2	D85 V86 A103 F113 R120 Q122	D85-K99 VanDerWaalsContact O-CE 3.23Å; D85-K99 WeakPolarHBondContact O-CE 3.43Å; D85-K99 PolarHBondContact OD1-N 3.14Å; D85-K99 WeakPolarHBondContact OD2-CB 3.5Å; V86-K99 HydrophobicContact CB-CD 4.32Å; V86-K99 HydrophobicContact CB-CG 3.68Å; V86-K99 HydrophobicContact CG1-CG 3.81Å; K99-A103 VanDerWaalsContact O-CB 3.22Å; K99-A103 WeakPolarHBondContact O-CB 3.47Å; K99-A103 PolarHBondContact O-N 2.95Å; K99-F113 HydrophobicContact CB-CD2 3.77Å; K99-F113 HydrophobicContact CB-CE2 3.98Å; K99-F113 HydrophobicContact CB-CG 4.16Å; K99-F113 HydrophobicContact CD-CD1 4.16Å; K99-F113 HydrophobicContact CD-CE1 4.39Å; K99-F113 HydrophobicContact CD-CG 4.35Å; K99-F113 HydrophobicContact CG-CD1 4.21Å; K99-F113 HydrophobicContact CG-CD2 4.07Å; K99-F113 HydrophobicContact CG-CE1 4.14Å; K99-F113 HydrophobicContact CG-CE2 4.01Å; K99-F113 HydrophobicContact CG-CG 4.19Å; K99-F113 HydrophobicContact CG-CZ 4.05Å; K99-R120 PolarHBondContact NZ-O 3.41Å; K99-Q122 PolarHBondContact NZ-O 3.5Å
100	A	92.8	Very high	94.4	Very high	56 Å²	56	58.4 Å²	58.4	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-44.7	178.5	0	0	0	0	0	113.5	H98 T104	H98-A100 PolarHBondContact O-N 3.12Å; A100-T104 WeakPolarHBondContact O-CG2 3.39Å; A100-T104 PolarHBondContact O-N 3.4Å; A100-T104 PolarHBondContact O-OG1 3.1Å
101	L	94.6	Very high	94.2	Very high	18 Å²	18	61.9 Å²	61.9	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-71.1	-44.1	-180	-175.8	70.8	0	0	0	111.2	F74 H98 A103 T104 Q105 Y143	F74-L101 HydrophobicContact CB-CD2 4.37Å; F74-L101 HydrophobicContact CD1-CB 4.33Å; F74-L101 HydrophobicContact CD2-CD1 4.42Å; F74-L101 HydrophobicContact CE1-CB 4.49Å; F74-L101 HydrophobicContact CG-CD1 4.36Å; H98-L101 HydrophobicContact CB-CB 4.14Å; H98-L101 PolarHBondContact O-N 3.19Å; H98-L101 VanDerWaalsContact O-N 3.1Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 2.78Å; L101-T104 PolarHBondContact O-N 3.03Å; L101-T104 VanDerWaalsContact O-N 3.12Å; L101-T104 PolarHBondContact O-OG1 2.99Å; L101-Q105 HydrophobicContact CD1-CG 4.48Å; L101-Q105 WeakPolarHBondContact O-CG 3.16Å; L101-Q105 PolarHBondContact O-N 2.79Å; L101-Q105 VanDerWaalsContact O-N 3.14Å; L101-Y143 HydrophobicContact CD2-CD1 3.36Å; L101-Y143 HydrophobicContact CD2-CD2 4.08Å; L101-Y143 HydrophobicContact CD2-CE1 3.25Å; L101-Y143 HydrophobicContact CD2-CE2 4Å; L101-Y143 HydrophobicContact CD2-CG 3.78Å
102	L	95.3	Very high	94.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.2	-44.2	175.6	-66.6	-179.1	0	0	0	111	V86 L88 A97 H98 T104 Q105 S106 F109 F113 L139 M142	V86-L102 HydrophobicContact CG1-CD1 4.08Å; L88-L102 HydrophobicContact CD1-CD1 3.93Å; A97-L102 HydrophobicContact CB-CD1 3.83Å; A97-L102 HydrophobicContact CB-CG 4.26Å; H98-L102 WeakPolarHBondContact O-CG 3.22Å; H98-L102 PolarHBondContact O-N 3Å; H98-L102 VanDerWaalsContact O-N 3.12Å; L102-T104 VanDerWaalsContact C-N 3.31Å; L102-T104 PolarHBondContact O-N 3.13Å; L102-Q105 PolarHBondContact O-N 2.77Å; L102-S106 WeakPolarHBondContact O-CB 3.49Å; L102-S106 PolarHBondContact O-N 3.49Å; L102-F109 HydrophobicContact CB-CB 3.85Å; L102-F109 HydrophobicContact CB-CD2 3.85Å; L102-F109 HydrophobicContact CB-CG 3.86Å; L102-F109 HydrophobicContact CD1-CD1 4.38Å; L102-F109 HydrophobicContact CD1-CD2 4.39Å; L102-F109 HydrophobicContact CD1-CE1 4.38Å; L102-F109 HydrophobicContact CD1-CE2 4.4Å; L102-F109 HydrophobicContact CD1-CG 4.4Å; L102-F109 HydrophobicContact CD1-CZ 4.39Å; L102-F109 HydrophobicContact CD2-CD2 4.14Å; L102-F109 HydrophobicContact CD2-CE2 4.08Å; L102-F109 HydrophobicContact CG-CD2 4.35Å; L102-F113 HydrophobicContact CB-CE2 3.96Å; L102-F113 HydrophobicContact CD1-CE2 4.05Å; L102-F113 HydrophobicContact CD1-CZ 4.27Å; L102-L139 HydrophobicContact CD2-CD1 3.86Å; L102-M142 HydrophobicContact CD2-SD 3.54Å; L102-M142 VanDerWaalsContact CD2-SD 3.54Å
103	A	94.4	Very high	94.3	Very high	15 Å²	15	49.3 Å²	49.3	12%	0.124	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-18	177.7	0	0	0	0	0	115.1	K99 L101 R110 F113	K99-A103 VanDerWaalsContact O-CB 3.22Å; K99-A103 WeakPolarHBondContact O-CB 3.47Å; K99-A103 PolarHBondContact O-N 2.95Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 2.78Å; A103-R110 HydrophobicContact CB-CB 4.23Å; A103-R110 HydrophobicContact CB-CG 4.29Å; A103-R110 WeakPolarHBondContact O-CB 3.3Å; A103-F113 HydrophobicContact CB-CD2 4.34Å
104	T	92.5	Very high	94	Very high	102 Å²	102	49.2 Å²	49.2	63%	0.626	26%	0.255	S	S	*	.	H	α-helix	trans	-90	-18.3	171	56	0	0	0	0	113.3	A100 L101 L102	A100-T104 WeakPolarHBondContact O-CG2 3.39Å; A100-T104 PolarHBondContact O-N 3.4Å; A100-T104 PolarHBondContact O-OG1 3.1Å; L101-T104 PolarHBondContact O-N 3.03Å; L101-T104 VanDerWaalsContact O-N 3.12Å; L101-T104 PolarHBondContact O-OG1 2.99Å; L102-T104 VanDerWaalsContact C-N 3.31Å; L102-T104 PolarHBondContact O-N 3.13Å
105	Q	92.8	Very high	93.4	Very high	81 Å²	81	44.2 Å²	44.2	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-102.8	-15.3	-179	-61.1	-60.7	-90.7	0	0	113.8	L101 L102 M142 L166	L101-Q105 HydrophobicContact CD1-CG 4.48Å; L101-Q105 WeakPolarHBondContact O-CG 3.16Å; L101-Q105 PolarHBondContact O-N 2.79Å; L101-Q105 VanDerWaalsContact O-N 3.14Å; L102-Q105 PolarHBondContact O-N 2.77Å; Q105-M142 HydrophobicContact CB-CB 4.4Å; Q105-M142 HydrophobicContact CB-CE 4.39Å; Q105-M142 HydrophobicContact CB-CG 3.91Å; Q105-M142 HydrophobicContact CB-SD 4.34Å; Q105-M142 HydrophobicContact CG-CB 4.31Å; Q105-M142 HydrophobicContact CG-CG 4.35Å; Q105-L166 WeakPolarHBondContact O-CD1 3.44Å
106	S	95.8	Very high	92.6	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	27%	0.269	C	S	.	.			trans	-143.2	124.5	-172.8	160.6	0	0	0	0	111	L102 Y108 F109 R110 V164	L102-S106 WeakPolarHBondContact O-CB 3.49Å; L102-S106 PolarHBondContact O-N 3.49Å; S106-Y108 VanDerWaalsContact C-N 3.28Å; S106-Y108 PolarHBondContact O-N 3.35Å; S106-Y108 PolarHBondContact OG-N 3.02Å; S106-F109 PolarHBondContact O-N 2.83Å; S106-F109 WeakPolarHBondContact OG-CD2 3.33Å; S106-F109 PolarHBondContact OG-N 3.45Å; S106-F109 VanDerWaalsContact OG-N 3.08Å; S106-R110 WeakPolarHBondContact O-CB 3.15Å; S106-R110 PolarHBondContact O-N 3.03Å; S106-V164 WeakPolarHBondContact CB-O 3.15Å; S106-V164 PolarHBondContact OG-O 3.14Å
107	D	91.9	Very high	91.8	Very high	73 Å²	73	49.1 Å²	49.1	39%	0.39	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-36.2	173.2	-83	-40.9	0	0	0	111.8	R110 V111	D107-R110 PolarHBondContact O-N 3.16Å; D107-R110 IonicContact OD1-CZ 2.68Å; D107-R110 IonicContact OD1-NE 2.88Å; D107-R110 IonicContact OD1-NH1 2.76Å; D107-R110 PolarHBondContact OD1-NH1 3.15Å; D107-R110 IonicContact OD1-NH2 3.23Å; D107-R110 PolarHBondContact OD1-NH2 3.12Å; D107-V111 WeakPolarHBondContact O-CG2 3.45Å; D107-V111 PolarHBondContact O-N 3.46Å
108	Y	94.3	Very high	91	Very high	57 Å²	57	58.4 Å²	58.4	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-51.5	173.7	175.7	-90.9	0	0	0	111.8	S106 V111 M112 M127 Y163	S106-Y108 VanDerWaalsContact C-N 3.28Å; S106-Y108 PolarHBondContact O-N 3.35Å; S106-Y108 PolarHBondContact OG-N 3.02Å; Y108-V111 PolarHBondContact O-N 2.97Å; Y108-M112 HydrophobicContact CD1-CE 4.5Å; Y108-M112 HydrophobicContact CE1-CE 3.47Å; Y108-M112 VanDerWaalsContact CE1-CE 3.47Å; Y108-M112 HydrophobicContact CE1-SD 4.43Å; Y108-M112 WeakPolarHBondContact O-CB 3.29Å; Y108-M112 PolarHBondContact O-N 2.78Å; Y108-M112 VanDerWaalsContact OH-CE 3.24Å; Y108-M112 WeakPolarHBondContact OH-CE 3.3Å; Y108-M127 HydrophobicContact CE1-CE 4.04Å; Y108-Y163 HydrophobicContact CE1-CD1 4.44Å; Y108-Y163 HydrophobicContact CE1-CE1 4.05Å; Y108-Y163 HydrophobicContact CE2-CE1 4.16Å; Y108-Y163 AromaticContact CZ-CE1 3.62Å; Y108-Y163 WeakPolarHBondContact OH-CE1 3.41Å
109	F	95	Very high	90.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-32.8	177.3	-74.2	-55.8	0	0	0	112.4	L88 L102 S106 M112 F113 M127 F135 M142 V164	L88-F109 HydrophobicContact CD1-CE1 3.86Å; L88-F109 HydrophobicContact CD1-CZ 3.67Å; L88-F109 HydrophobicContact CD2-CE1 4.19Å; L102-F109 HydrophobicContact CB-CB 3.85Å; L102-F109 HydrophobicContact CB-CD2 3.85Å; L102-F109 HydrophobicContact CB-CG 3.86Å; L102-F109 HydrophobicContact CD1-CD1 4.38Å; L102-F109 HydrophobicContact CD1-CD2 4.39Å; L102-F109 HydrophobicContact CD1-CE1 4.38Å; L102-F109 HydrophobicContact CD1-CE2 4.4Å; L102-F109 HydrophobicContact CD1-CG 4.4Å; L102-F109 HydrophobicContact CD1-CZ 4.39Å; L102-F109 HydrophobicContact CD2-CD2 4.14Å; L102-F109 HydrophobicContact CD2-CE2 4.08Å; L102-F109 HydrophobicContact CG-CD2 4.35Å; S106-F109 PolarHBondContact O-N 2.83Å; S106-F109 WeakPolarHBondContact OG-CD2 3.33Å; S106-F109 PolarHBondContact OG-N 3.45Å; S106-F109 VanDerWaalsContact OG-N 3.08Å; F109-M112 HydrophobicContact CD1-SD 4.1Å; F109-M112 HydrophobicContact CE1-SD 4.32Å; F109-M112 PolarHBondContact O-N 3.38Å; F109-F113 HydrophobicContact CB-CD2 4.22Å; F109-F113 HydrophobicContact CB-CE2 3.85Å; F109-F113 AromaticContact CD1-CE2 3.85Å; F109-F113 HydrophobicContact CD1-CE2 3.85Å; F109-F113 AromaticContact CD1-CZ 3.76Å; F109-F113 HydrophobicContact CD1-CZ 3.76Å; F109-F113 HydrophobicContact CE1-CZ 4.41Å; F109-F113 HydrophobicContact CG-CE2 4.14Å; F109-F113 WeakPolarHBondContact O-CD2 3.45Å; F109-F113 WeakPolarHBondContact O-CG 3.34Å; F109-F113 PolarHBondContact O-N 3.05Å; F109-M127 HydrophobicContact CE1-CE 3.94Å; F109-M127 HydrophobicContact CE1-SD 3.9Å; F109-M127 HydrophobicContact CZ-CE 3.64Å; F109-M127 HydrophobicContact CZ-SD 3.86Å; F109-F135 HydrophobicContact CE2-CE2 4.11Å; F109-F135 HydrophobicContact CE2-CZ 4.39Å; F109-F135 AromaticContact CZ-CE2 3.9Å; F109-F135 HydrophobicContact CZ-CE2 3.9Å; F109-F135 HydrophobicContact CZ-CZ 4.07Å; F109-M142 HydrophobicContact CD2-CE 4.39Å; F109-M142 HydrophobicContact CE2-CE 4.39Å; F109-V164 HydrophobicContact CD2-CB 4.43Å; F109-V164 HydrophobicContact CE2-CB 4.05Å; F109-V164 HydrophobicContact CE2-CG1 3.77Å; F109-V164 HydrophobicContact CZ-CG1 4.06Å
110	R	93.6	Very high	89.7	Confident	126 Å²	126	62.8 Å²	62.8	48%	0.475	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-48	173.8	-161.7	174.1	72.4	-134.4	-5	111	A103 S106 D107 F113 T114	A103-R110 HydrophobicContact CB-CB 4.23Å; A103-R110 HydrophobicContact CB-CG 4.29Å; A103-R110 WeakPolarHBondContact O-CB 3.3Å; S106-R110 WeakPolarHBondContact O-CB 3.15Å; S106-R110 PolarHBondContact O-N 3.03Å; D107-R110 PolarHBondContact O-N 3.16Å; D107-R110 IonicContact OD1-CZ 2.68Å; D107-R110 IonicContact OD1-NE 2.88Å; D107-R110 IonicContact OD1-NH1 2.76Å; D107-R110 PolarHBondContact OD1-NH1 3.15Å; D107-R110 IonicContact OD1-NH2 3.23Å; D107-R110 PolarHBondContact OD1-NH2 3.12Å; R110-F113 PolarHBondContact O-N 3.43Å; R110-T114 WeakPolarHBondContact O-CB 3.43Å; R110-T114 WeakPolarHBondContact O-CG2 3.36Å; R110-T114 PolarHBondContact O-N 2.59Å; R110-T114 PolarHBondContact O-OG1 3.11Å
111	V	92.5	Very high	89.4	Confident	74 Å²	74	65.8 Å²	65.8	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-46.1	175.4	173	0	0	0	0	110.9	D107 Y108 F113 T114 A115	D107-V111 WeakPolarHBondContact O-CG2 3.45Å; D107-V111 PolarHBondContact O-N 3.46Å; Y108-V111 PolarHBondContact O-N 2.97Å; V111-F113 VanDerWaalsContact C-N 3.26Å; V111-F113 PolarHBondContact O-N 2.79Å; V111-T114 PolarHBondContact O-N 3.15Å; V111-A115 HydrophobicContact CG1-CB 3.97Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 3.36Å
112	M	91.9	Very high	89	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-37.2	179.5	-177.8	177.8	-79.9	0	0	113.5	Y108 F109 E119 R120 I125	Y108-M112 HydrophobicContact CD1-CE 4.5Å; Y108-M112 HydrophobicContact CE1-CE 3.47Å; Y108-M112 VanDerWaalsContact CE1-CE 3.47Å; Y108-M112 HydrophobicContact CE1-SD 4.43Å; Y108-M112 WeakPolarHBondContact O-CB 3.29Å; Y108-M112 PolarHBondContact O-N 2.78Å; Y108-M112 VanDerWaalsContact OH-CE 3.24Å; Y108-M112 WeakPolarHBondContact OH-CE 3.3Å; F109-M112 HydrophobicContact CD1-SD 4.1Å; F109-M112 HydrophobicContact CE1-SD 4.32Å; F109-M112 PolarHBondContact O-N 3.38Å; M112-E119 HydrophobicContact CE-CG 4.49Å; M112-E119 HydrophobicContact CG-CB 3.66Å; M112-E119 HydrophobicContact CG-CG 4.4Å; M112-E119 HydrophobicContact SD-CB 4.22Å; M112-R120 PolarHBondContact O-N 2.9Å; M112-I125 HydrophobicContact CE-CG2 4.32Å; M112-I125 HydrophobicContact SD-CD1 4.01Å; M112-I125 HydrophobicContact SD-CG2 4.1Å
113	F	92.4	Very high	88.6	Confident	22 Å²	22	73.3 Å²	73.3	10%	0.096	37%	0.367	C	S	.	.	H	α-helix	trans	-98.8	-18	-175.3	-55.8	-37.3	0	0	0	114.8	V86 K99 L102 A103 F109 R110 V111 I125	V86-F113 HydrophobicContact CG1-CZ 4.48Å; V86-F113 HydrophobicContact CG2-CE1 4.44Å; V86-F113 HydrophobicContact CG2-CZ 4.36Å; K99-F113 HydrophobicContact CB-CD2 3.77Å; K99-F113 HydrophobicContact CB-CE2 3.98Å; K99-F113 HydrophobicContact CB-CG 4.16Å; K99-F113 HydrophobicContact CD-CD1 4.16Å; K99-F113 HydrophobicContact CD-CE1 4.39Å; K99-F113 HydrophobicContact CD-CG 4.35Å; K99-F113 HydrophobicContact CG-CD1 4.21Å; K99-F113 HydrophobicContact CG-CD2 4.07Å; K99-F113 HydrophobicContact CG-CE1 4.14Å; K99-F113 HydrophobicContact CG-CE2 4.01Å; K99-F113 HydrophobicContact CG-CG 4.19Å; K99-F113 HydrophobicContact CG-CZ 4.05Å; L102-F113 HydrophobicContact CB-CE2 3.96Å; L102-F113 HydrophobicContact CD1-CE2 4.05Å; L102-F113 HydrophobicContact CD1-CZ 4.27Å; A103-F113 HydrophobicContact CB-CD2 4.34Å; F109-F113 HydrophobicContact CB-CD2 4.22Å; F109-F113 HydrophobicContact CB-CE2 3.85Å; F109-F113 AromaticContact CD1-CE2 3.85Å; F109-F113 HydrophobicContact CD1-CE2 3.85Å; F109-F113 AromaticContact CD1-CZ 3.76Å; F109-F113 HydrophobicContact CD1-CZ 3.76Å; F109-F113 HydrophobicContact CE1-CZ 4.41Å; F109-F113 HydrophobicContact CG-CE2 4.14Å; F109-F113 WeakPolarHBondContact O-CD2 3.45Å; F109-F113 WeakPolarHBondContact O-CG 3.34Å; F109-F113 PolarHBondContact O-N 3.05Å; R110-F113 PolarHBondContact O-N 3.43Å; V111-F113 VanDerWaalsContact C-N 3.26Å; V111-F113 PolarHBondContact O-N 2.79Å; F113-I125 HydrophobicContact CE1-CD1 3.67Å; F113-I125 HydrophobicContact CZ-CD1 4.5Å
114	T	88.6	Confident	88.5	Confident	102 Å²	102	78.8 Å²	78.8	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-117.1	-19.6	-178.1	74.6	0	0	0	0	115.7	R110 V111	R110-T114 WeakPolarHBondContact O-CB 3.43Å; R110-T114 WeakPolarHBondContact O-CG2 3.36Å; R110-T114 PolarHBondContact O-N 2.59Å; R110-T114 PolarHBondContact O-OG1 3.11Å; V111-T114 PolarHBondContact O-N 3.15Å
115	A	84.4	Confident	88.6	Confident	39 Å²	39	74.1 Å²	74.1	32%	0.322	36%	0.36	S	S	.	.	S	Bend	trans	-79.4	177.9	172.9	0	0	0	0	0	111.6	V111 M117 R120	V111-A115 HydrophobicContact CG1-CB 3.97Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 3.36Å; A115-M117 HydrophobicContact CB-CG 4.12Å; A115-M117 PolarHBondContact O-N 2.98Å; A115-R120 PolarHBondContact O-NH1 3.2Å
116	D	78.4	Confident	88.5	Confident	146 Å²	146	76.8 Å²	76.8	78%	0.781	37%	0.372	S	S	*	.	S	Bend	trans	-79.6	49	-179.1	-152.1	31.2	0	0	0	113.4	R120	D116-R120 IonicContact OD1-CZ 2.71Å; D116-R120 VanDerWaalsContact OD1-CZ 3.23Å; D116-R120 IonicContact OD1-NH1 2.85Å; D116-R120 PolarHBondContact OD1-NH1 2.82Å; D116-R120 IonicContact OD1-NH2 3.94Å; D116-R120 PolarHBondContact OD1-NH2 2.9Å
117	M	79.9	Confident	88.4	Confident	70 Å²	70	77 Å²	77	35%	0.345	37%	0.373	S	S	.	.			trans	-86.3	156.9	-179.1	-66.1	-78.7	-75.5	0	0	110.6	A115 E119 R120	A115-M117 HydrophobicContact CB-CG 4.12Å; A115-M117 PolarHBondContact O-N 2.98Å; M117-E119 VanDerWaalsContact C-N 3.31Å; M117-R120 PolarHBondContact O-NH2 3.17Å; M117-R120 VanDerWaalsContact O-NH2 3.15Å
118	R	79.8	Confident	88.3	Confident	195 Å²	195	81.6 Å²	81.6	74%	0.736	39%	0.389	S	S	*	.	S	Bend	trans	-78.6	-22.9	175.1	-169.4	-170.6	161.2	-175.9	-5.4	111.4	Q122	R118-Q122 VanDerWaalsContact C-NE2 3.28Å; R118-Q122 PolarHBondContact O-NE2 2.92Å
119	E	82.1	Confident	87.8	Confident	53 Å²	53	81.5 Å²	81.5	25%	0.248	41%	0.405	C	S	.	.	S	Bend	trans	-75.3	-30.2	-173	-70.1	59.9	-134.8	0	0	112.2	M112 M117 D121 Q122 I125	M112-E119 HydrophobicContact CE-CG 4.49Å; M112-E119 HydrophobicContact CG-CB 3.66Å; M112-E119 HydrophobicContact CG-CG 4.4Å; M112-E119 HydrophobicContact SD-CB 4.22Å; M117-E119 VanDerWaalsContact C-N 3.31Å; E119-D121 VanDerWaalsContact C-N 3.27Å; E119-D121 PolarHBondContact O-N 3.27Å; E119-Q122 PolarHBondContact O-N 3.47Å; E119-Q122 VanDerWaalsContact O-N 3.09Å; E119-I125 HydrophobicContact CB-CD1 4.08Å; E119-I125 HydrophobicContact CB-CG1 4.32Å; E119-I125 HydrophobicContact CG-CG2 4.14Å; E119-I125 WeakPolarHBondContact O-CD1 3.43Å
120	R	81.9	Confident	87.7	Confident	80 Å²	80	82 Å²	82	30%	0.302	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-53	168.9	166.7	-175.4	59.9	-161.5	-13.1	112.3	K99 M112 A115 D116 M117 Q122	K99-R120 PolarHBondContact NZ-O 3.41Å; M112-R120 PolarHBondContact O-N 2.9Å; A115-R120 PolarHBondContact O-NH1 3.2Å; D116-R120 IonicContact OD1-CZ 2.71Å; D116-R120 VanDerWaalsContact OD1-CZ 3.23Å; D116-R120 IonicContact OD1-NH1 2.85Å; D116-R120 PolarHBondContact OD1-NH1 2.82Å; D116-R120 IonicContact OD1-NH2 3.94Å; D116-R120 PolarHBondContact OD1-NH2 2.9Å; M117-R120 PolarHBondContact O-NH2 3.17Å; M117-R120 VanDerWaalsContact O-NH2 3.15Å; R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 2.91Å
121	D	84.6	Confident	87.8	Confident	118 Å²	118	77.5 Å²	77.5	63%	0.631	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	13.4	-173.3	-51.3	-75.6	0	0	0	113.3	E119	E119-D121 VanDerWaalsContact C-N 3.27Å; E119-D121 PolarHBondContact O-N 3.27Å
122	Q	87.1	Confident	87.9	Confident	53 Å²	53	74.3 Å²	74.3	25%	0.248	38%	0.376	C	S	.	.			trans	-110.1	138.8	177.7	-68.8	171	66.1	0	0	111.5	K99 R118 E119 R120 K124 I125	K99-Q122 PolarHBondContact NZ-O 3.5Å; R118-Q122 VanDerWaalsContact C-NE2 3.28Å; R118-Q122 PolarHBondContact O-NE2 2.92Å; E119-Q122 PolarHBondContact O-N 3.47Å; E119-Q122 VanDerWaalsContact O-N 3.09Å; R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 2.91Å; Q122-K124 PolarHBondContact OE1-O 3.45Å; Q122-I125 HydrophobicContact CB-CG1 4.06Å
123	D	86.3	Confident	88	Confident	123 Å²	123	76.7 Å²	76.7	66%	0.658	40%	0.397	S	S	*	.	S	Bend	trans	-83.5	-17.1	169.7	-53.4	-36.4	0	0	0	112	T87	T87-D123 PolarHBondContact N-O 3.31Å
124	K	93.4	Very high	88.1	Confident	131 Å²	131	75.7 Å²	75.7	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	116.7	-175.1	-72.3	-174.9	179.1	-176.2	0	110.2	T87 L89 Q122	T87-K124 VanDerWaalsContact O-CA 3.31Å; T87-K124 WeakPolarHBondContact O-CA 3.42Å; L89-K124 HydrophobicContact CD1-CB 4.08Å; Q122-K124 PolarHBondContact OE1-O 3.45Å
125	I	93.8	Very high	88.5	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.021	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.4	-174.1	-61.4	164.9	0	0	0	109.3	V86 T87 L88 L89 M112 F113 E119 Q122	V86-I125 HydrophobicContact CG2-CD1 3.82Å; V86-I125 HydrophobicContact CG2-CG1 4.48Å; T87-I125 PolarHBondContact O-N 2.89Å; L88-I125 HydrophobicContact CD2-CB 4.12Å; L88-I125 HydrophobicContact CD2-CD1 4.4Å; L89-I125 PolarHBondContact N-O 2.99Å; M112-I125 HydrophobicContact CE-CG2 4.32Å; M112-I125 HydrophobicContact SD-CD1 4.01Å; M112-I125 HydrophobicContact SD-CG2 4.1Å; F113-I125 HydrophobicContact CE1-CD1 3.67Å; F113-I125 HydrophobicContact CZ-CD1 4.5Å; E119-I125 HydrophobicContact CB-CD1 4.08Å; E119-I125 HydrophobicContact CB-CG1 4.32Å; E119-I125 HydrophobicContact CG-CG2 4.14Å; E119-I125 WeakPolarHBondContact O-CD1 3.43Å; Q122-I125 HydrophobicContact CB-CG1 4.06Å
126	H	92.1	Very high	89.1	Confident	137 Å²	137	70.2 Å²	70.2	63%	0.634	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.8	176.5	-72.4	-85.9	0	0	0	111.2	L89	L89-H126 VanDerWaalsContact CD1-CE1 3.4Å; L89-H126 WeakPolarHBondContact CD1-CE1 3.36Å; L89-H126 WeakPolarHBondContact CD1-NE2 3.42Å
127	M	92.3	Very high	89.9	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.034	34%	0.336	C	S	.	.			trans	-93.6	124.1	173.4	-66.5	173.7	74.4	0	0	109.2	L88 L89 I90 Y108 F109 L130 F135 Y163 V164	L88-M127 HydrophobicContact CB-SD 4.12Å; L88-M127 HydrophobicContact CD1-SD 3.9Å; L88-M127 HydrophobicContact CD2-SD 3.93Å; L88-M127 HydrophobicContact CG-SD 4.2Å; L89-M127 PolarHBondContact O-N 3.4Å; I90-M127 HydrophobicContact CD1-CB 4.27Å; I90-M127 HydrophobicContact CD1-SD 4.15Å; I90-M127 HydrophobicContact CG1-CB 3.76Å; Y108-M127 HydrophobicContact CE1-CE 4.04Å; F109-M127 HydrophobicContact CE1-CE 3.94Å; F109-M127 HydrophobicContact CE1-SD 3.9Å; F109-M127 HydrophobicContact CZ-CE 3.64Å; F109-M127 HydrophobicContact CZ-SD 3.86Å; M127-L130 HydrophobicContact CE-CD1 3.71Å; M127-F135 HydrophobicContact CE-CE2 4.32Å; M127-Y163 HydrophobicContact CE-CD1 3.94Å; M127-Y163 HydrophobicContact CE-CE1 3.58Å; M127-V164 HydrophobicContact CE-CG1 4.03Å
128	K	89.3	Confident	90.8	Very high	169 Å²	169	62.8 Å²	62.8	74%	0.735	32%	0.32	S	S	*	.			trans	-111.1	142.1	-175.5	-64.3	-179.5	179.1	179	0	110.4	Y163	K128-Y163 WeakPolarHBondContact O-CE2 3.37Å; K128-Y163 PolarHBondContact O-OH 2.94Å
129	G	85.6	Confident	91.5	Very high	55 Å²	55	53.5 Å²	53.5	57%	0.567	29%	0.285	S	S	*	.	S	Bend	trans	87.9	21.5	-179.4	0	0	0	0	0	114.4	Q159	G129-Q159 PolarHBondContact O-NE2 3.06Å
130	L	92.6	Very high	92.2	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.058	30%	0.297	C	S	.	.			trans	-124.7	148.6	172.4	-69.5	-176.8	0	0	0	110.3	I90 M127 F135 Q159 A160 Y163	I90-L130 HydrophobicContact CD1-CD1 4.1Å; I90-L130 HydrophobicContact CG2-CB 3.98Å; I90-L130 WeakPolarHBondContact CG2-O 3.4Å; M127-L130 HydrophobicContact CE-CD1 3.71Å; L130-F135 HydrophobicContact CD1-CB 4.43Å; L130-F135 HydrophobicContact CD1-CD2 4Å; L130-Q159 HydrophobicContact CD2-CG 4.45Å; L130-A160 HydrophobicContact CD2-CB 4.14Å; L130-Y163 HydrophobicContact CD1-CD1 3.84Å; L130-Y163 HydrophobicContact CD1-CE1 4.12Å; L130-Y163 HydrophobicContact CD1-CG 4.09Å; L130-Y163 HydrophobicContact CD2-CD1 4.36Å; L130-Y163 HydrophobicContact CD2-CD2 3.93Å; L130-Y163 HydrophobicContact CD2-CG 3.75Å; L130-Y163 HydrophobicContact CG-CD1 4.19Å; L130-Y163 HydrophobicContact CG-CD2 4.05Å; L130-Y163 HydrophobicContact CG-CE1 4.46Å; L130-Y163 HydrophobicContact CG-CE2 4.32Å; L130-Y163 HydrophobicContact CG-CG 3.97Å
131	T	94.4	Very high	92.8	Very high	32 Å²	32	54.6 Å²	54.6	20%	0.196	29%	0.287	C	S	.	.			trans	-86.1	149.6	163.1	65.4	0	0	0	0	109.9	A133 G134 F135 E156	T131-A133 VanDerWaalsContact C-N 3.3Å; T131-A133 PolarHBondContact O-N 3.45Å; T131-G134 PolarHBondContact OG1-N 3.27Å; T131-G134 VanDerWaalsContact OG1-N 3.13Å; T131-F135 PolarHBondContact O-N 2.87Å; T131-F135 VanDerWaalsContact O-N 3.12Å; T131-E156 VanDerWaalsContact CB-OE2 3.23Å; T131-E156 WeakPolarHBondContact CB-OE2 3.31Å; T131-E156 HydrophobicContact CG2-CG 4.21Å; T131-E156 PolarHBondContact OG1-OE2 3.28Å
132	A	94.7	Very high	93.3	Very high	6 Å²	6	49.2 Å²	49.2	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-32	176.8	0	0	0	0	0	112.4	I90 E91 H93 F95 G136	I90-A132 HydrophobicContact CG2-CB 4.31Å; E91-A132 VanDerWaalsContact OE2-CB 3.3Å; E91-A132 WeakPolarHBondContact OE2-CB 3.43Å; E91-A132 PolarHBondContact OE2-N 3.03Å; H93-A132 HydrophobicContact CB-CB 3.76Å; H93-A132 WeakPolarHBondContact ND1-CB 3.43Å; F95-A132 HydrophobicContact CE2-CB 3.99Å; F95-A132 HydrophobicContact CZ-CB 4Å; F95-A132 VanDerWaalsContact CZ-O 3.29Å; F95-A132 WeakPolarHBondContact CZ-O 3.4Å; A132-G136 PolarHBondContact O-N 3.08Å
133	A	94.3	Very high	93.7	Very high	58 Å²	58	47.1 Å²	47.1	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-69.2	-51.1	177	0	0	0	0	0	111.6	T131 F135 G136 H137	T131-A133 VanDerWaalsContact C-N 3.3Å; T131-A133 PolarHBondContact O-N 3.45Å; A133-F135 PolarHBondContact O-N 2.91Å; A133-G136 PolarHBondContact O-N 2.83Å; A133-G136 VanDerWaalsContact O-N 3.13Å; A133-H137 PolarHBondContact O-CD2 2.99Å; A133-H137 VanDerWaalsContact O-CD2 3.26Å; A133-H137 PolarHBondContact O-N 3.28Å; A133-H137 VanDerWaalsContact O-N 3.09Å
134	G	95.2	Very high	94.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-54.9	-48.9	175.5	0	0	0	0	0	112.6	T131 G136 H137 I138	T131-G134 PolarHBondContact OG1-N 3.27Å; T131-G134 VanDerWaalsContact OG1-N 3.13Å; G134-G136 PolarHBondContact O-N 3.28Å; G134-H137 PolarHBondContact O-N 3.38Å; G134-I138 PolarHBondContact O-N 3.41Å
135	F	96.8	Very high	94	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-37	176	-174.2	-100.2	0	0	0	113.1	L88 I90 F95 F109 M127 L130 T131 A133 H137 I138 L139 V164	L88-F135 HydrophobicContact CD1-CE1 3.91Å; L88-F135 HydrophobicContact CD1-CE2 4.4Å; L88-F135 HydrophobicContact CD1-CZ 3.47Å; L88-F135 VanDerWaalsContact CD1-CZ 3.47Å; I90-F135 HydrophobicContact CD1-CB 3.63Å; I90-F135 HydrophobicContact CD1-CD1 3.36Å; I90-F135 HydrophobicContact CD1-CD2 3.87Å; I90-F135 HydrophobicContact CD1-CE1 3.97Å; I90-F135 HydrophobicContact CD1-CE2 4.42Å; I90-F135 HydrophobicContact CD1-CG 3.3Å; I90-F135 HydrophobicContact CD1-CZ 4.47Å; F95-F135 HydrophobicContact CB-CD1 4.46Å; F95-F135 HydrophobicContact CB-CE1 4.05Å; F95-F135 HydrophobicContact CD1-CD1 4.21Å; F95-F135 HydrophobicContact CD1-CE1 4.42Å; F95-F135 AromaticContact CD2-CD1 3.91Å; F95-F135 HydrophobicContact CD2-CD1 3.91Å; F95-F135 HydrophobicContact CD2-CE1 4.32Å; F95-F135 HydrophobicContact CE1-CD1 4.45Å; F95-F135 HydrophobicContact CE2-CD1 4.18Å; F95-F135 AromaticContact CG-CD1 3.93Å; F95-F135 HydrophobicContact CG-CD1 3.93Å; F95-F135 HydrophobicContact CG-CE1 4.01Å; F95-F135 HydrophobicContact CZ-CD1 4.45Å; F109-F135 HydrophobicContact CE2-CE2 4.11Å; F109-F135 HydrophobicContact CE2-CZ 4.39Å; F109-F135 AromaticContact CZ-CE2 3.9Å; F109-F135 HydrophobicContact CZ-CE2 3.9Å; F109-F135 HydrophobicContact CZ-CZ 4.07Å; M127-F135 HydrophobicContact CE-CE2 4.32Å; L130-F135 HydrophobicContact CD1-CB 4.43Å; L130-F135 HydrophobicContact CD1-CD2 4Å; T131-F135 PolarHBondContact O-N 2.87Å; T131-F135 VanDerWaalsContact O-N 3.12Å; A133-F135 PolarHBondContact O-N 2.91Å; F135-H137 VanDerWaalsContact C-N 3.29Å; F135-H137 PolarHBondContact O-N 3.32Å; F135-I138 PolarHBondContact O-N 2.97Å; F135-I138 VanDerWaalsContact O-N 3.11Å; F135-L139 HydrophobicContact CD1-CB 4.42Å; F135-L139 HydrophobicContact CE1-CB 4.02Å; F135-L139 HydrophobicContact CE1-CD1 4.34Å; F135-L139 HydrophobicContact CE1-CD2 4.16Å; F135-L139 HydrophobicContact CE1-CG 4.41Å; F135-L139 HydrophobicContact CZ-CB 4.35Å; F135-L139 HydrophobicContact CZ-CD1 4.3Å; F135-L139 WeakPolarHBondContact O-CB 3.44Å; F135-L139 PolarHBondContact O-N 2.84Å; F135-V164 HydrophobicContact CE2-CG1 4.2Å
136	G	95.9	Very high	93.9	Very high	25 Å²	25	44.3 Å²	44.3	26%	0.258	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-37.9	176.7	0	0	0	0	0	113.3	A132 A133 G134 R140	A132-G136 PolarHBondContact O-N 3.08Å; A133-G136 PolarHBondContact O-N 2.83Å; A133-G136 VanDerWaalsContact O-N 3.13Å; G134-G136 PolarHBondContact O-N 3.28Å; G136-R140 WeakPolarHBondContact O-CB 3.27Å; G136-R140 PolarHBondContact O-N 3.07Å
137	H	96.6	Very high	94.1	Very high	60 Å²	60	38.7 Å²	38.7	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-66	-42.9	171.9	-79.7	-80.4	0	0	0	112.4	A133 G134 F135 R140 F141 L147 I157	A133-H137 PolarHBondContact O-CD2 2.99Å; A133-H137 VanDerWaalsContact O-CD2 3.26Å; A133-H137 PolarHBondContact O-N 3.28Å; A133-H137 VanDerWaalsContact O-N 3.09Å; G134-H137 PolarHBondContact O-N 3.38Å; F135-H137 VanDerWaalsContact C-N 3.29Å; F135-H137 PolarHBondContact O-N 3.32Å; H137-R140 PolarHBondContact O-N 3.3Å; H137-F141 PolarHBondContact O-N 3.45Å; H137-L147 HydrophobicContact CB-CD1 4.19Å; H137-I157 HydrophobicContact CB-CD1 3.89Å; H137-I157 HydrophobicContact CB-CG1 3.8Å
138	I	97.3	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-41.7	179	-64	-57.7	0	0	0	112.1	G134 F135 R140 F141 M142 L147 I157 A160 A161 V164 L166 A169	G134-I138 PolarHBondContact O-N 3.41Å; F135-I138 PolarHBondContact O-N 2.97Å; F135-I138 VanDerWaalsContact O-N 3.11Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 PolarHBondContact O-N 3.33Å; I138-F141 WeakPolarHBondContact O-CB 3.45Å; I138-F141 PolarHBondContact O-N 2.92Å; I138-F141 VanDerWaalsContact O-N 3.15Å; I138-M142 HydrophobicContact CG2-CE 3.92Å; I138-M142 HydrophobicContact CG2-SD 4.47Å; I138-M142 WeakPolarHBondContact O-CG 3.29Å; I138-M142 PolarHBondContact O-N 3.25Å; I138-L147 HydrophobicContact CD1-CD2 4.49Å; I138-I157 HydrophobicContact CD1-CG2 3.82Å; I138-A160 HydrophobicContact CB-CB 4.45Å; I138-A160 HydrophobicContact CG1-CB 3.6Å; I138-A161 HydrophobicContact CD1-CB 3.86Å; I138-V164 HydrophobicContact CG2-CG2 3.86Å; I138-L166 HydrophobicContact CD1-CD2 4.32Å; I138-L166 HydrophobicContact CG2-CD2 3.83Å; I138-A169 HydrophobicContact CD1-CB 4.12Å
139	L	96	Very high	94.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-42	173.8	-173.3	67.5	0	0	0	111	Y78 F95 A97 L102 F135 F141 M142 Y143	Y78-L139 HydrophobicContact CE2-CD2 4.49Å; F95-L139 HydrophobicContact CB-CD2 4.08Å; F95-L139 HydrophobicContact CD1-CD2 3.78Å; F95-L139 HydrophobicContact CG-CD2 4.33Å; A97-L139 HydrophobicContact CB-CD1 4.14Å; L102-L139 HydrophobicContact CD2-CD1 3.86Å; F135-L139 HydrophobicContact CD1-CB 4.42Å; F135-L139 HydrophobicContact CE1-CB 4.02Å; F135-L139 HydrophobicContact CE1-CD1 4.34Å; F135-L139 HydrophobicContact CE1-CD2 4.16Å; F135-L139 HydrophobicContact CE1-CG 4.41Å; F135-L139 HydrophobicContact CZ-CB 4.35Å; F135-L139 HydrophobicContact CZ-CD1 4.3Å; F135-L139 WeakPolarHBondContact O-CB 3.44Å; F135-L139 PolarHBondContact O-N 2.84Å; L139-F141 VanDerWaalsContact C-N 3.34Å; L139-F141 PolarHBondContact O-N 3.48Å; L139-M142 PolarHBondContact O-N 3.03Å; L139-Y143 HydrophobicContact CD1-CD2 4.21Å; L139-Y143 HydrophobicContact CD1-CE2 3.89Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.48Å; L139-Y143 PolarHBondContact O-N 3.33Å
140	R	95.1	Very high	94.8	Very high	136 Å²	136	37.3 Å²	37.3	51%	0.513	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-40.9	173.3	-174.7	-176.9	176	103.3	-6	111.5	G136 H137 I138 Y143 Y144	G136-R140 WeakPolarHBondContact O-CB 3.27Å; G136-R140 PolarHBondContact O-N 3.07Å; H137-R140 PolarHBondContact O-N 3.3Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 PolarHBondContact O-N 3.33Å; R140-Y143 PolarHBondContact O-N 3.44Å; R140-Y144 HydrophobicContact CG-CD2 3.84Å; R140-Y144 HydrophobicContact CG-CE2 4.43Å; R140-Y144 WeakPolarHBondContact O-CB 3.37Å; R140-Y144 VanDerWaalsContact O-CD2 3.32Å; R140-Y144 WeakPolarHBondContact O-CD2 3.34Å; R140-Y144 PolarHBondContact O-N 3.29Å
141	F	96.3	Very high	94.8	Very high	19 Å²	19	40.8 Å²	40.8	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.8	174.8	-94.4	0	0	0	111.7	H137 I138 L139 Y143 Y144 G145 L147 L166 E168	H137-F141 PolarHBondContact O-N 3.45Å; I138-F141 WeakPolarHBondContact O-CB 3.45Å; I138-F141 PolarHBondContact O-N 2.92Å; I138-F141 VanDerWaalsContact O-N 3.15Å; L139-F141 VanDerWaalsContact C-N 3.34Å; L139-F141 PolarHBondContact O-N 3.48Å; F141-Y143 PolarHBondContact O-N 2.99Å; F141-Y144 PolarHBondContact O-N 2.94Å; F141-G145 WeakPolarHBondContact O-CA 3.23Å; F141-G145 PolarHBondContact O-N 2.87Å; F141-L147 HydrophobicContact CB-CB 4.39Å; F141-L147 HydrophobicContact CD2-CB 3.73Å; F141-L147 HydrophobicContact CE2-CB 4.46Å; F141-L147 HydrophobicContact CG-CB 4.36Å; F141-L166 HydrophobicContact CD1-CD2 3.66Å; F141-L166 HydrophobicContact CE1-CD1 4.19Å; F141-L166 HydrophobicContact CE1-CD2 3.95Å; F141-L166 HydrophobicContact CE1-CG 4.41Å; F141-E168 HydrophobicContact CZ-CG 4.46Å
142	M	95.4	Very high	94.6	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-28.7	-179.9	-69.9	177.4	172.8	0	0	114.1	L102 Q105 F109 I138 L139 V164 L166	L102-M142 HydrophobicContact CD2-SD 3.54Å; L102-M142 VanDerWaalsContact CD2-SD 3.54Å; Q105-M142 HydrophobicContact CB-CB 4.4Å; Q105-M142 HydrophobicContact CB-CE 4.39Å; Q105-M142 HydrophobicContact CB-CG 3.91Å; Q105-M142 HydrophobicContact CB-SD 4.34Å; Q105-M142 HydrophobicContact CG-CB 4.31Å; Q105-M142 HydrophobicContact CG-CG 4.35Å; F109-M142 HydrophobicContact CD2-CE 4.39Å; F109-M142 HydrophobicContact CE2-CE 4.39Å; I138-M142 HydrophobicContact CG2-CE 3.92Å; I138-M142 HydrophobicContact CG2-SD 4.47Å; I138-M142 WeakPolarHBondContact O-CG 3.29Å; I138-M142 PolarHBondContact O-N 3.25Å; L139-M142 PolarHBondContact O-N 3.03Å; M142-V164 HydrophobicContact CE-CG2 3.72Å; M142-L166 HydrophobicContact CE-CD1 4.44Å; M142-L166 HydrophobicContact CE-CD2 4.19Å
143	Y	94.8	Very high	94.6	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-90.2	-39.3	174.2	-82.2	-81.4	0	0	0	114	R75 Y78 H98 L101 L139 R140 F141	R75-Y143 WeakPolarHBondContact CD-O 3.1Å; R75-Y143 WeakPolarHBondContact CG-O 3.12Å; R75-Y143 PolarHBondContact NE-O 3.33Å; Y78-Y143 VanDerWaalsContact CB-CE1 3.43Å; Y78-Y143 HydrophobicContact CD1-CD1 4.34Å; Y78-Y143 HydrophobicContact CD1-CD2 4.41Å; Y78-Y143 HydrophobicContact CD1-CG 4.28Å; Y78-Y143 HydrophobicContact CD2-CD1 4.37Å; Y78-Y143 HydrophobicContact CD2-CD2 4.11Å; Y78-Y143 AromaticContact CD2-CE1 3.84Å; Y78-Y143 HydrophobicContact CD2-CE1 3.84Å; Y78-Y143 AromaticContact CD2-CE2 3.53Å; Y78-Y143 HydrophobicContact CD2-CE2 3.53Å; Y78-Y143 AromaticContact CD2-CZ 3.38Å; Y78-Y143 HydrophobicContact CE1-CD2 4.46Å; Y78-Y143 HydrophobicContact CE2-CD2 4.15Å; Y78-Y143 AromaticContact CE2-CE2 3.68Å; Y78-Y143 HydrophobicContact CE2-CE2 3.68Å; Y78-Y143 AromaticContact CG-CD1 3.93Å; Y78-Y143 HydrophobicContact CG-CD1 3.93Å; Y78-Y143 HydrophobicContact CG-CD2 4.24Å; Y78-Y143 AromaticContact CG-CE1 3.72Å; Y78-Y143 HydrophobicContact CG-CE1 3.72Å; Y78-Y143 HydrophobicContact CG-CE2 4.03Å; Y78-Y143 HydrophobicContact CG-CG 4.19Å; Y78-Y143 AromaticContact CG-CZ 3.77Å; H98-Y143 AromaticContact CE1-CE1 3.92Å; H98-Y143 PolarHBondContact N-OH 2.96Å; H98-Y143 AromaticContact ND1-CE1 3.47Å; H98-Y143 WeakPolarHBondContact ND1-CE1 3.46Å; H98-Y143 AromaticContact ND1-CZ 3.56Å; H98-Y143 PolarHBondContact ND1-OH 2.55Å; L101-Y143 HydrophobicContact CD2-CD1 3.36Å; L101-Y143 HydrophobicContact CD2-CD2 4.08Å; L101-Y143 HydrophobicContact CD2-CE1 3.25Å; L101-Y143 HydrophobicContact CD2-CE2 4Å; L101-Y143 HydrophobicContact CD2-CG 3.78Å; L139-Y143 HydrophobicContact CD1-CD2 4.21Å; L139-Y143 HydrophobicContact CD1-CE2 3.89Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.48Å; L139-Y143 PolarHBondContact O-N 3.33Å; R140-Y143 PolarHBondContact O-N 3.44Å; F141-Y143 PolarHBondContact O-N 2.99Å
144	Y	93.4	Very high	94.6	Very high	73 Å²	73	43.2 Å²	43.2	29%	0.286	24%	0.243	S	C	.	.	H	α-helix	trans	-108.1	-10	-167.2	-65.3	-89.3	0	0	0	115.3	R75 Y78 E79 R140 F141 S146	R75-Y144 HydrophobicContact CG-CD1 4.23Å; R75-Y144 HydrophobicContact CG-CE1 4.21Å; Y78-Y144 HydrophobicContact CE1-CE2 4.49Å; E79-Y144 WeakPolarHBondContact CG-OH 3.4Å; E79-Y144 VanDerWaalsContact OE1-CE1 3.31Å; E79-Y144 WeakPolarHBondContact OE1-CE1 3.34Å; E79-Y144 PolarHBondContact OE1-OH 3.13Å; R140-Y144 HydrophobicContact CG-CD2 3.84Å; R140-Y144 HydrophobicContact CG-CE2 4.43Å; R140-Y144 WeakPolarHBondContact O-CB 3.37Å; R140-Y144 VanDerWaalsContact O-CD2 3.32Å; R140-Y144 WeakPolarHBondContact O-CD2 3.34Å; R140-Y144 PolarHBondContact O-N 3.29Å; F141-Y144 PolarHBondContact O-N 2.94Å; Y144-S146 VanDerWaalsContact C-N 3.27Å; Y144-S146 PolarHBondContact O-N 3.02Å
145	G	91.6	Very high	94.6	Very high	63 Å²	63	46.6 Å²	46.6	65%	0.649	26%	0.258	S	S	*	.	S	Bend	trans	64.7	27.5	-178.6	0	0	0	0	0	114	F141	F141-G145 WeakPolarHBondContact O-CA 3.23Å; F141-G145 PolarHBondContact O-N 2.87Å
146	S	93.2	Very high	94.4	Very high	63 Å²	63	49.8 Å²	49.8	44%	0.441	27%	0.273	S	S	.	.			trans	-141.6	131.8	-178.4	-176.3	0	0	0	0	110.7	Y144	Y144-S146 VanDerWaalsContact C-N 3.27Å; Y144-S146 PolarHBondContact O-N 3.02Å
147	L	95.6	Very high	94.5	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.099	26%	0.261	C	S	.	.			trans	-128.2	124.1	-179.8	-175.3	54.9	0	0	0	109.7	H137 I138 F141 L149 I157 A169 F172	H137-L147 HydrophobicContact CB-CD1 4.19Å; I138-L147 HydrophobicContact CD1-CD2 4.49Å; F141-L147 HydrophobicContact CB-CB 4.39Å; F141-L147 HydrophobicContact CD2-CB 3.73Å; F141-L147 HydrophobicContact CE2-CB 4.46Å; F141-L147 HydrophobicContact CG-CB 4.36Å; L147-L149 HydrophobicContact CD2-CD2 4.35Å; L147-L149 HydrophobicContact CG-CD2 4.13Å; L147-L149 HydrophobicContact CG-CG 4.47Å; L147-I157 HydrophobicContact CD1-CD1 4.44Å; L147-I157 HydrophobicContact CD1-CG2 3.91Å; L147-I157 HydrophobicContact CD2-CG2 4.01Å; L147-I157 HydrophobicContact CG-CG2 4.39Å; L147-A169 HydrophobicContact CD2-CB 3.82Å; L147-F172 HydrophobicContact CB-CD1 4.43Å; L147-F172 HydrophobicContact CB-CE1 4.46Å; L147-F172 HydrophobicContact CD2-CD1 4.22Å; L147-F172 HydrophobicContact CG-CD1 4.41Å
148	E	93.8	Very high	94.4	Very high	128 Å²	128	45.8 Å²	45.8	60%	0.598	25%	0.248	S	C	*	.			trans	-104.3	119.5	180	-68.4	171.8	-146.1	0	0	109.3
149	L	94.8	Very high	94.3	Very high	29 Å²	29	48.3 Å²	48.3	15%	0.152	26%	0.26	C	S	.	.			trans	-109.4	144.6	-177.4	-64.6	-177.7	0	0	0	112.5	L147 I157 F172 C173 F176	L147-L149 HydrophobicContact CD2-CD2 4.35Å; L147-L149 HydrophobicContact CG-CD2 4.13Å; L147-L149 HydrophobicContact CG-CG 4.47Å; L149-I157 HydrophobicContact CD2-CB 4.21Å; L149-I157 HydrophobicContact CD2-CD1 3.75Å; L149-I157 HydrophobicContact CD2-CG2 3.79Å; L149-F172 HydrophobicContact CD1-CD1 3.45Å; L149-F172 VanDerWaalsContact CD1-CD1 3.45Å; L149-F172 HydrophobicContact CD1-CE1 3.54Å; L149-F172 HydrophobicContact CD1-CG 4.18Å; L149-F172 HydrophobicContact CD1-CZ 4.31Å; L149-F172 HydrophobicContact CG-CD1 3.99Å; L149-F172 HydrophobicContact CG-CE1 3.73Å; L149-C173 HydrophobicContact CD1-CB 4.46Å; L149-F176 HydrophobicContact CB-CD1 4.23Å; L149-F176 HydrophobicContact CB-CD2 3.82Å; L149-F176 HydrophobicContact CB-CE1 4.35Å; L149-F176 HydrophobicContact CB-CE2 3.95Å; L149-F176 HydrophobicContact CB-CG 3.98Å; L149-F176 HydrophobicContact CB-CZ 4.22Å; L149-F176 HydrophobicContact CD1-CB 3.59Å; L149-F176 HydrophobicContact CD1-CD1 4.35Å; L149-F176 HydrophobicContact CD1-CD2 4.28Å; L149-F176 HydrophobicContact CD1-CG 3.84Å
150	S	93.7	Very high	94.3	Very high	44 Å²	44	48.3 Å²	48.3	31%	0.308	26%	0.26	S	S	.	.			trans	-145.8	156.5	173.5	75.3	0	0	0	0	109.8	P152 T153 V154	S150-P152 VanDerWaalsContact C-N 3.31Å; S150-P152 WeakPolarHBondContact OG-CD 3.5Å; S150-T153 PolarHBondContact N-OG1 3.26Å; S150-T153 PolarHBondContact O-N 3.25Å; S150-T153 PolarHBondContact O-OG1 3.29Å; S150-T153 WeakPolarHBondContact OG-CG2 3.47Å; S150-T153 PolarHBondContact OG-N 3.11Å; S150-T153 PolarHBondContact OG-OG1 2.83Å; S150-V154 WeakPolarHBondContact O-CB 3.46Å; S150-V154 PolarHBondContact O-N 3.49Å
151	M	91	Very high	94.3	Very high	84 Å²	84	41.8 Å²	41.8	41%	0.414	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.2	179.6	-64.1	-59.8	-61.2	0	0	113.7	F176 K180	M151-F176 HydrophobicContact SD-CE1 3.74Å; M151-F176 HydrophobicContact SD-CZ 4.3Å; M151-K180 HydrophobicContact SD-CB 4.02Å; M151-K180 HydrophobicContact SD-CG 4.42Å
152	P	92	Very high	94.1	Very high	108 Å²	108	43.6 Å²	43.6	70%	0.701	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.7	172.3	-23.8	35.8	0	0	0	115.1	S150	S150-P152 VanDerWaalsContact C-N 3.31Å; S150-P152 WeakPolarHBondContact OG-CD 3.5Å
153	T	93.4	Very high	94.1	Very high	38 Å²	38	46.6 Å²	46.6	23%	0.233	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-21	-173.6	58.2	0	0	0	0	114.3	S150 Q155 E156 I157	S150-T153 PolarHBondContact N-OG1 3.26Å; S150-T153 PolarHBondContact O-N 3.25Å; S150-T153 PolarHBondContact O-OG1 3.29Å; S150-T153 WeakPolarHBondContact OG-CG2 3.47Å; S150-T153 PolarHBondContact OG-N 3.11Å; S150-T153 PolarHBondContact OG-OG1 2.83Å; T153-Q155 VanDerWaalsContact C-N 3.32Å; T153-Q155 PolarHBondContact O-N 3.13Å; T153-E156 PolarHBondContact O-N 3.42Å; T153-I157 VanDerWaalsContact O-CG1 3.31Å; T153-I157 WeakPolarHBondContact O-CG1 3.38Å; T153-I157 PolarHBondContact O-N 3.39Å
154	V	94.6	Very high	94.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-33.6	-171.2	65.9	0	0	0	0	113.7	S150 L158 C173 F176 L177	S150-V154 WeakPolarHBondContact O-CB 3.46Å; S150-V154 PolarHBondContact O-N 3.49Å; V154-L158 WeakPolarHBondContact O-CB 3.45Å; V154-L158 PolarHBondContact O-N 3.26Å; V154-C173 HydrophobicContact CG2-CB 4.11Å; V154-F176 HydrophobicContact CB-CD1 4.35Å; V154-F176 HydrophobicContact CB-CE1 4.33Å; V154-F176 HydrophobicContact CG1-CE1 4.45Å; V154-F176 HydrophobicContact CG2-CD1 4.06Å; V154-L177 HydrophobicContact CG1-CD2 3.74Å; V154-L177 HydrophobicContact CG2-CD1 4.41Å; V154-L177 HydrophobicContact CG2-CD2 4.12Å; V154-L177 HydrophobicContact CG2-CG 4.03Å
155	Q	94.4	Very high	94.1	Very high	71 Å²	71	47.7 Å²	47.7	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-50.6	175.4	173.8	175.6	-18.9	0	0	111.7	T153 L158 Q159 L192 F196	T153-Q155 VanDerWaalsContact C-N 3.32Å; T153-Q155 PolarHBondContact O-N 3.13Å; Q155-L158 PolarHBondContact O-N 3.09Å; Q155-Q159 WeakPolarHBondContact O-CB 3.35Å; Q155-Q159 PolarHBondContact O-N 3.38Å; Q155-L192 HydrophobicContact CB-CD2 3.82Å; Q155-L192 HydrophobicContact CG-CD2 3.57Å; Q155-F196 HydrophobicContact CG-CE2 4.32Å; Q155-F196 HydrophobicContact CG-CZ 4.22Å
156	E	94.5	Very high	94.3	Very high	67 Å²	67	45.2 Å²	45.2	31%	0.313	24%	0.236	S	C	.	.	H	α-helix	trans	-67.9	-36.6	-178.2	-65.4	-173.1	-140.7	0	0	112.1	T131 T153 A160	T131-E156 VanDerWaalsContact CB-OE2 3.23Å; T131-E156 WeakPolarHBondContact CB-OE2 3.31Å; T131-E156 HydrophobicContact CG2-CG 4.21Å; T131-E156 PolarHBondContact OG1-OE2 3.28Å; T153-E156 PolarHBondContact O-N 3.42Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 2.94Å
157	I	96.3	Very high	94.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-42.8	177.6	-64.3	173	0	0	0	110.7	H137 I138 L147 L149 T153 A160 A161	H137-I157 HydrophobicContact CB-CD1 3.89Å; H137-I157 HydrophobicContact CB-CG1 3.8Å; I138-I157 HydrophobicContact CD1-CG2 3.82Å; L147-I157 HydrophobicContact CD1-CD1 4.44Å; L147-I157 HydrophobicContact CD1-CG2 3.91Å; L147-I157 HydrophobicContact CD2-CG2 4.01Å; L147-I157 HydrophobicContact CG-CG2 4.39Å; L149-I157 HydrophobicContact CD2-CB 4.21Å; L149-I157 HydrophobicContact CD2-CD1 3.75Å; L149-I157 HydrophobicContact CD2-CG2 3.79Å; T153-I157 VanDerWaalsContact O-CG1 3.31Å; T153-I157 WeakPolarHBondContact O-CG1 3.38Å; T153-I157 PolarHBondContact O-N 3.39Å; I157-A160 PolarHBondContact O-N 2.81Å; I157-A161 VanDerWaalsContact O-CB 3.31Å; I157-A161 WeakPolarHBondContact O-CB 3.45Å; I157-A161 PolarHBondContact O-N 3.27Å
158	L	95.3	Very high	94.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-45	175.7	177.5	58.2	0	0	0	111.3	V154 Q155 A160 A161 M162 V170 C173 L177 F196	V154-L158 WeakPolarHBondContact O-CB 3.45Å; V154-L158 PolarHBondContact O-N 3.26Å; Q155-L158 PolarHBondContact O-N 3.09Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 2.95Å; L158-A161 PolarHBondContact O-N 3.15Å; L158-M162 HydrophobicContact CD1-CG 4.05Å; L158-M162 HydrophobicContact CD1-SD 3.95Å; L158-M162 HydrophobicContact CG-SD 4.49Å; L158-M162 WeakPolarHBondContact O-CG 3.32Å; L158-M162 PolarHBondContact O-N 3.46Å; L158-V170 HydrophobicContact CD1-CB 4.46Å; L158-V170 HydrophobicContact CD1-CG1 3.89Å; L158-C173 HydrophobicContact CB-CB 4.18Å; L158-C173 HydrophobicContact CD1-CB 3.97Å; L158-L177 HydrophobicContact CD2-CD1 4.19Å; L158-F196 HydrophobicContact CB-CE2 4.45Å; L158-F196 HydrophobicContact CD2-CD2 3.58Å; L158-F196 HydrophobicContact CD2-CE2 4.02Å; L158-F196 HydrophobicContact CG-CD2 3.78Å; L158-F196 HydrophobicContact CG-CE2 4.13Å; L158-F196 HydrophobicContact CG-CG 4.48Å
159	Q	94.8	Very high	94.2	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-47.5	173.5	-177	172.4	-19.2	0	0	111.6	G129 L130 Q155 Y163 F196	G129-Q159 PolarHBondContact O-NE2 3.06Å; L130-Q159 HydrophobicContact CD2-CG 4.45Å; Q155-Q159 WeakPolarHBondContact O-CB 3.35Å; Q155-Q159 PolarHBondContact O-N 3.38Å; Q159-Y163 WeakPolarHBondContact O-CB 3.39Å; Q159-Y163 PolarHBondContact O-N 2.57Å; Q159-F196 HydrophobicContact CB-CE1 3.67Å; Q159-F196 HydrophobicContact CB-CZ 3.65Å; Q159-F196 HydrophobicContact CG-CE1 3.85Å; Q159-F196 HydrophobicContact CG-CZ 4.24Å
160	A	95.8	Very high	94.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-43.1	178.5	0	0	0	0	0	112.7	L130 I138 E156 I157 L158 Y163 V164	L130-A160 HydrophobicContact CD2-CB 4.14Å; I138-A160 HydrophobicContact CB-CB 4.45Å; I138-A160 HydrophobicContact CG1-CB 3.6Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 2.94Å; I157-A160 PolarHBondContact O-N 2.81Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 2.95Å; A160-Y163 PolarHBondContact O-N 2.97Å; A160-V164 WeakPolarHBondContact O-CG2 3.09Å; A160-V164 PolarHBondContact O-N 3.1Å; A160-V164 VanDerWaalsContact O-N 3.15Å
161	A	95.5	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-45.1	177.5	0	0	0	0	0	112.1	I138 I157 L158 Q165 L166 A169 V170	I138-A161 HydrophobicContact CD1-CB 3.86Å; I157-A161 VanDerWaalsContact O-CB 3.31Å; I157-A161 WeakPolarHBondContact O-CB 3.45Å; I157-A161 PolarHBondContact O-N 3.27Å; L158-A161 PolarHBondContact O-N 3.15Å; A161-Q165 PolarHBondContact O-N 2.95Å; A161-L166 PolarHBondContact O-N 3.46Å; A161-A169 HydrophobicContact CB-CB 3.82Å; A161-V170 HydrophobicContact CB-CG2 3.72Å
162	M	93.3	Very high	94.5	Very high	56 Å²	56	48 Å²	48	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-71.1	-38.4	179.5	-69.8	-166	66.9	0	0	112.5	L158 V164 Q165 V170 F196 V198	L158-M162 HydrophobicContact CD1-CG 4.05Å; L158-M162 HydrophobicContact CD1-SD 3.95Å; L158-M162 HydrophobicContact CG-SD 4.49Å; L158-M162 WeakPolarHBondContact O-CG 3.32Å; L158-M162 PolarHBondContact O-N 3.46Å; M162-V164 VanDerWaalsContact C-N 3.35Å; M162-V164 PolarHBondContact O-N 2.89Å; M162-Q165 PolarHBondContact O-N 3.47Å; M162-Q165 VanDerWaalsContact O-N 3.16Å; M162-V170 HydrophobicContact CB-CG2 4.45Å; M162-V170 HydrophobicContact CG-CB 4.34Å; M162-V170 HydrophobicContact CG-CG1 3.88Å; M162-V170 HydrophobicContact CG-CG2 3.45Å; M162-V170 VanDerWaalsContact CG-CG2 3.45Å; M162-V170 HydrophobicContact SD-CG1 4Å; M162-F196 HydrophobicContact CE-CB 4.42Å; M162-F196 WeakPolarHBondContact CE-O 3.37Å; M162-F196 HydrophobicContact SD-CB 3.67Å; M162-F196 HydrophobicContact SD-CG 4.48Å; M162-V198 HydrophobicContact SD-CG2 3.9Å
163	Y	94.3	Very high	94.7	Very high	69 Å²	69	42.8 Å²	42.8	27%	0.271	21%	0.207	S	C	.	.	H	α-helix	trans	-58.4	-44.9	175.1	-170.7	-77.3	0	0	0	112.2	Y108 M127 K128 L130 Q159 A160 Q165	Y108-Y163 HydrophobicContact CE1-CD1 4.44Å; Y108-Y163 HydrophobicContact CE1-CE1 4.05Å; Y108-Y163 HydrophobicContact CE2-CE1 4.16Å; Y108-Y163 AromaticContact CZ-CE1 3.62Å; Y108-Y163 WeakPolarHBondContact OH-CE1 3.41Å; M127-Y163 HydrophobicContact CE-CD1 3.94Å; M127-Y163 HydrophobicContact CE-CE1 3.58Å; K128-Y163 WeakPolarHBondContact O-CE2 3.37Å; K128-Y163 PolarHBondContact O-OH 2.94Å; L130-Y163 HydrophobicContact CD1-CD1 3.84Å; L130-Y163 HydrophobicContact CD1-CE1 4.12Å; L130-Y163 HydrophobicContact CD1-CG 4.09Å; L130-Y163 HydrophobicContact CD2-CD1 4.36Å; L130-Y163 HydrophobicContact CD2-CD2 3.93Å; L130-Y163 HydrophobicContact CD2-CG 3.75Å; L130-Y163 HydrophobicContact CG-CD1 4.19Å; L130-Y163 HydrophobicContact CG-CD2 4.05Å; L130-Y163 HydrophobicContact CG-CE1 4.46Å; L130-Y163 HydrophobicContact CG-CE2 4.32Å; L130-Y163 HydrophobicContact CG-CG 3.97Å; Q159-Y163 WeakPolarHBondContact O-CB 3.39Å; Q159-Y163 PolarHBondContact O-N 2.57Å; A160-Y163 PolarHBondContact O-N 2.97Å; Y163-Q165 VanDerWaalsContact C-N 3.31Å
164	V	94.8	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.7	178.9	-48.9	0	0	0	0	113.5	S106 F109 M127 F135 I138 M142 A160 M162 L166	S106-V164 WeakPolarHBondContact CB-O 3.15Å; S106-V164 PolarHBondContact OG-O 3.14Å; F109-V164 HydrophobicContact CD2-CB 4.43Å; F109-V164 HydrophobicContact CE2-CB 4.05Å; F109-V164 HydrophobicContact CE2-CG1 3.77Å; F109-V164 HydrophobicContact CZ-CG1 4.06Å; M127-V164 HydrophobicContact CE-CG1 4.03Å; F135-V164 HydrophobicContact CE2-CG1 4.2Å; I138-V164 HydrophobicContact CG2-CG2 3.86Å; M142-V164 HydrophobicContact CE-CG2 3.72Å; A160-V164 WeakPolarHBondContact O-CG2 3.09Å; A160-V164 PolarHBondContact O-N 3.1Å; A160-V164 VanDerWaalsContact O-N 3.15Å; M162-V164 VanDerWaalsContact C-N 3.35Å; M162-V164 PolarHBondContact O-N 2.89Å; V164-L166 HydrophobicContact CG2-CB 3.98Å; V164-L166 PolarHBondContact O-N 3.18Å
165	Q	94.3	Very high	94.8	Very high	106 Å²	106	44.3 Å²	44.3	50%	0.495	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	44.4	175.2	-57.6	174	-6.4	0	0	113.4	A161 M162 Y163	A161-Q165 PolarHBondContact O-N 2.95Å; M162-Q165 PolarHBondContact O-N 3.47Å; M162-Q165 VanDerWaalsContact O-N 3.16Å; Y163-Q165 VanDerWaalsContact C-N 3.31Å
166	L	94.6	Very high	94.9	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	21%	0.212	C	C	.	.			trans	-99.3	80.5	-179.1	-178.1	68.8	0	0	0	111	Q105 I138 F141 M142 A161 V164 E168 A169 V170	Q105-L166 WeakPolarHBondContact O-CD1 3.44Å; I138-L166 HydrophobicContact CD1-CD2 4.32Å; I138-L166 HydrophobicContact CG2-CD2 3.83Å; F141-L166 HydrophobicContact CD1-CD2 3.66Å; F141-L166 HydrophobicContact CE1-CD1 4.19Å; F141-L166 HydrophobicContact CE1-CD2 3.95Å; F141-L166 HydrophobicContact CE1-CG 4.41Å; M142-L166 HydrophobicContact CE-CD1 4.44Å; M142-L166 HydrophobicContact CE-CD2 4.19Å; A161-L166 PolarHBondContact O-N 3.46Å; V164-L166 HydrophobicContact CG2-CB 3.98Å; V164-L166 PolarHBondContact O-N 3.18Å; L166-E168 PolarHBondContact O-N 3.37Å; L166-A169 HydrophobicContact CB-CB 4.48Å; L166-A169 HydrophobicContact CD2-CB 3.6Å; L166-A169 HydrophobicContact CG-CB 3.85Å; L166-A169 PolarHBondContact O-N 3.48Å; L166-A169 VanDerWaalsContact O-N 3.11Å; L166-V170 WeakPolarHBondContact O-CG2 3.4Å; L166-V170 PolarHBondContact O-N 2.61Å
167	T	92.4	Very high	94.9	Very high	88 Å²	88	39.6 Å²	39.6	54%	0.54	20%	0.197	S	C	.	.	H	α-helix	trans	-54.2	-43.8	-168.6	-46.7	0	0	0	0	114.4	A169 V170 E171	T167-A169 VanDerWaalsContact C-N 3.3Å; T167-A169 PolarHBondContact O-N 2.59Å; T167-V170 WeakPolarHBondContact O-CA 3.31Å; T167-V170 WeakPolarHBondContact O-CB 3.16Å; T167-V170 PolarHBondContact O-N 2.83Å; T167-E171 HydrophobicContact CG2-CG 4.31Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.36Å; T167-E171 WeakPolarHBondContact O-CG 3.46Å; T167-E171 PolarHBondContact O-N 2.86Å
168	E	93.5	Very high	94.8	Very high	128 Å²	128	40.5 Å²	40.5	60%	0.598	20%	0.201	S	C	*	.	H	α-helix	trans	-58.1	-40	179.6	-175.9	-179.5	-172.1	0	0	112.5	F141 L166 F172	F141-E168 HydrophobicContact CZ-CG 4.46Å; L166-E168 PolarHBondContact O-N 3.37Å; E168-F172 WeakPolarHBondContact O-CB 3.29Å; E168-F172 PolarHBondContact O-N 2.93Å
169	A	95.3	Very high	94.8	Very high	1 Å²	1	44 Å²	44	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-32.8	176.5	0	0	0	0	0	112.2	I138 L147 A161 L166 T167 C173	I138-A169 HydrophobicContact CD1-CB 4.12Å; L147-A169 HydrophobicContact CD2-CB 3.82Å; A161-A169 HydrophobicContact CB-CB 3.82Å; L166-A169 HydrophobicContact CB-CB 4.48Å; L166-A169 HydrophobicContact CD2-CB 3.6Å; L166-A169 HydrophobicContact CG-CB 3.85Å; L166-A169 PolarHBondContact O-N 3.48Å; L166-A169 VanDerWaalsContact O-N 3.11Å; T167-A169 VanDerWaalsContact C-N 3.3Å; T167-A169 PolarHBondContact O-N 2.59Å; A169-C173 WeakPolarHBondContact O-CB 3.35Å; A169-C173 PolarHBondContact O-N 3.49Å; A169-C173 PolarHBondContact O-SG 3.45Å
170	V	95.2	Very high	94.7	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-49.6	174	-178.7	0	0	0	0	110.3	L158 A161 M162 L166 T167 F172 C173 C174 V200	L158-V170 HydrophobicContact CD1-CB 4.46Å; L158-V170 HydrophobicContact CD1-CG1 3.89Å; A161-V170 HydrophobicContact CB-CG2 3.72Å; M162-V170 HydrophobicContact CB-CG2 4.45Å; M162-V170 HydrophobicContact CG-CB 4.34Å; M162-V170 HydrophobicContact CG-CG1 3.88Å; M162-V170 HydrophobicContact CG-CG2 3.45Å; M162-V170 VanDerWaalsContact CG-CG2 3.45Å; M162-V170 HydrophobicContact SD-CG1 4Å; L166-V170 WeakPolarHBondContact O-CG2 3.4Å; L166-V170 PolarHBondContact O-N 2.61Å; T167-V170 WeakPolarHBondContact O-CA 3.31Å; T167-V170 WeakPolarHBondContact O-CB 3.16Å; T167-V170 PolarHBondContact O-N 2.83Å; V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 3.46Å; V170-C173 PolarHBondContact O-N 2.63Å; V170-C174 PolarHBondContact O-N 3.16Å; V170-C174 PolarHBondContact O-SG 2.79Å; V170-V200 HydrophobicContact CG1-CG2 3.99Å
171	E	94.9	Very high	94.7	Very high	101 Å²	101	48.2 Å²	48.2	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-57.2	-45.7	176.4	-71.7	175.1	-174.7	0	0	111.6	T167 C174 S175 V200	T167-E171 HydrophobicContact CG2-CG 4.31Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.36Å; T167-E171 WeakPolarHBondContact O-CG 3.46Å; T167-E171 PolarHBondContact O-N 2.86Å; E171-C174 PolarHBondContact O-N 2.68Å; E171-S175 VanDerWaalsContact O-CB 3.31Å; E171-S175 WeakPolarHBondContact O-CB 3.49Å; E171-S175 PolarHBondContact O-N 3.46Å; E171-V200 HydrophobicContact CG-CG1 3.96Å; E171-V200 HydrophobicContact CG-CG2 4.22Å
172	F	95.8	Very high	94.6	Very high	97 Å²	97	50.3 Å²	50.3	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-40.1	177	-174.5	-123.2	0	0	0	112.7	L147 L149 E168 V170 F176	L147-F172 HydrophobicContact CB-CD1 4.43Å; L147-F172 HydrophobicContact CB-CE1 4.46Å; L147-F172 HydrophobicContact CD2-CD1 4.22Å; L147-F172 HydrophobicContact CG-CD1 4.41Å; L149-F172 HydrophobicContact CD1-CD1 3.45Å; L149-F172 VanDerWaalsContact CD1-CD1 3.45Å; L149-F172 HydrophobicContact CD1-CE1 3.54Å; L149-F172 HydrophobicContact CD1-CG 4.18Å; L149-F172 HydrophobicContact CD1-CZ 4.31Å; L149-F172 HydrophobicContact CG-CD1 3.99Å; L149-F172 HydrophobicContact CG-CE1 3.73Å; E168-F172 WeakPolarHBondContact O-CB 3.29Å; E168-F172 PolarHBondContact O-N 2.93Å; V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 3.46Å; F172-F176 WeakPolarHBondContact O-CB 3.13Å; F172-F176 PolarHBondContact O-N 3.12Å
173	C	95.9	Very high	94.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-43.2	173.5	-71.5	0	0	0	0	112.2	L149 V154 L158 A169 V170 F176 L177	L149-C173 HydrophobicContact CD1-CB 4.46Å; V154-C173 HydrophobicContact CG2-CB 4.11Å; L158-C173 HydrophobicContact CB-CB 4.18Å; L158-C173 HydrophobicContact CD1-CB 3.97Å; A169-C173 WeakPolarHBondContact O-CB 3.35Å; A169-C173 PolarHBondContact O-N 3.49Å; A169-C173 PolarHBondContact O-SG 3.45Å; V170-C173 PolarHBondContact O-N 2.63Å; C173-F176 PolarHBondContact O-N 3.45Å; C173-L177 WeakPolarHBondContact O-CG 3.31Å; C173-L177 PolarHBondContact O-N 3.35Å
174	C	95.4	Very high	94.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-43	179.6	-61.1	0	0	0	0	111.7	V170 E171 F176 L177 L178 V198 V203	V170-C174 PolarHBondContact O-N 3.16Å; V170-C174 PolarHBondContact O-SG 2.79Å; E171-C174 PolarHBondContact O-N 2.68Å; C174-F176 VanDerWaalsContact C-N 3.34Å; C174-F176 PolarHBondContact O-N 3.31Å; C174-L177 PolarHBondContact O-N 3.41Å; C174-L178 WeakPolarHBondContact O-CG 3.48Å; C174-L178 PolarHBondContact O-N 2.68Å; C174-V198 WeakPolarHBondContact SG-CG1 3.38Å; C174-V203 HydrophobicContact CB-CG1 4.31Å; C174-V203 HydrophobicContact CB-CG2 3.75Å
175	S	94.9	Very high	94.5	Very high	71 Å²	71	54.1 Å²	54.1	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-59.3	-42.7	173.2	-176.2	0	0	0	0	111.9	E171 A179	E171-S175 VanDerWaalsContact O-CB 3.31Å; E171-S175 WeakPolarHBondContact O-CB 3.49Å; E171-S175 PolarHBondContact O-N 3.46Å; S175-A179 WeakPolarHBondContact O-CB 3.41Å; S175-A179 PolarHBondContact O-N 2.88Å
176	F	95.6	Very high	94.4	Very high	39 Å²	39	49 Å²	49	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-45	174.4	175.8	-88.8	0	0	0	112.8	L149 M151 V154 F172 C173 C174 K180	L149-F176 HydrophobicContact CB-CD1 4.23Å; L149-F176 HydrophobicContact CB-CD2 3.82Å; L149-F176 HydrophobicContact CB-CE1 4.35Å; L149-F176 HydrophobicContact CB-CE2 3.95Å; L149-F176 HydrophobicContact CB-CG 3.98Å; L149-F176 HydrophobicContact CB-CZ 4.22Å; L149-F176 HydrophobicContact CD1-CB 3.59Å; L149-F176 HydrophobicContact CD1-CD1 4.35Å; L149-F176 HydrophobicContact CD1-CD2 4.28Å; L149-F176 HydrophobicContact CD1-CG 3.84Å; M151-F176 HydrophobicContact SD-CE1 3.74Å; M151-F176 HydrophobicContact SD-CZ 4.3Å; V154-F176 HydrophobicContact CB-CD1 4.35Å; V154-F176 HydrophobicContact CB-CE1 4.33Å; V154-F176 HydrophobicContact CG1-CE1 4.45Å; V154-F176 HydrophobicContact CG2-CD1 4.06Å; F172-F176 WeakPolarHBondContact O-CB 3.13Å; F172-F176 PolarHBondContact O-N 3.12Å; C173-F176 PolarHBondContact O-N 3.45Å; C174-F176 VanDerWaalsContact C-N 3.34Å; C174-F176 PolarHBondContact O-N 3.31Å; F176-K180 HydrophobicContact CE1-CG 4.5Å; F176-K180 HydrophobicContact CE2-CG 4.48Å; F176-K180 HydrophobicContact CZ-CG 4.36Å; F176-K180 WeakPolarHBondContact O-CB 3.49Å; F176-K180 VanDerWaalsContact O-CG 3.26Å; F176-K180 WeakPolarHBondContact O-CG 3.38Å; F176-K180 PolarHBondContact O-N 3.05Å
177	L	94.8	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-48.6	177.8	-73.8	170.6	0	0	0	111.5	V154 L158 C173 C174 K180 I181 V189 L192 L193	V154-L177 HydrophobicContact CG1-CD2 3.74Å; V154-L177 HydrophobicContact CG2-CD1 4.41Å; V154-L177 HydrophobicContact CG2-CD2 4.12Å; V154-L177 HydrophobicContact CG2-CG 4.03Å; L158-L177 HydrophobicContact CD2-CD1 4.19Å; C173-L177 WeakPolarHBondContact O-CG 3.31Å; C173-L177 PolarHBondContact O-N 3.35Å; C174-L177 PolarHBondContact O-N 3.41Å; L177-K180 CarbonylContact O-C 3.6Å; L177-K180 PolarHBondContact O-N 3.21Å; L177-K180 VanDerWaalsContact O-N 3.13Å; L177-I181 PolarHBondContact O-N 3.26Å; L177-V189 HydrophobicContact CB-CG1 4.16Å; L177-V189 HydrophobicContact CD2-CG2 4.35Å; L177-L192 HydrophobicContact CD2-CD1 4.32Å; L177-L193 HydrophobicContact CD1-CD2 4.4Å
178	L	94.4	Very high	94.2	Very high	19 Å²	19	49 Å²	49	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-42.3	178.8	-68.9	170.6	0	0	0	111.9	C174 K180 I181 V203 Q206 L207	C174-L178 WeakPolarHBondContact O-CG 3.48Å; C174-L178 PolarHBondContact O-N 2.68Å; L178-K180 PolarHBondContact O-N 3.12Å; L178-I181 VanDerWaalsContact O-CG2 3.3Å; L178-I181 WeakPolarHBondContact O-CG2 3.41Å; L178-I181 PolarHBondContact O-N 3.46Å; L178-V203 HydrophobicContact CD1-CB 4.24Å; L178-V203 HydrophobicContact CD1-CG1 4.08Å; L178-V203 HydrophobicContact CD1-CG2 4.08Å; L178-Q206 HydrophobicContact CD1-CB 3.85Å; L178-Q206 HydrophobicContact CD2-CB 4.19Å; L178-L207 HydrophobicContact CD2-CB 4.13Å
179	A	94.7	Very high	94.2	Very high	74 Å²	74	42.9 Å²	42.9	61%	0.612	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	0.4	174.7	0	0	0	0	0	114.4	S175	S175-A179 WeakPolarHBondContact O-CB 3.41Å; S175-A179 PolarHBondContact O-N 2.88Å
180	K	94.1	Very high	94	Very high	116 Å²	116	42.9 Å²	42.9	50%	0.504	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	6.7	174.5	-62.8	-62	169.8	-146.1	0	113.6	M151 F176 L177 L178 C182 N185	M151-K180 HydrophobicContact SD-CB 4.02Å; M151-K180 HydrophobicContact SD-CG 4.42Å; F176-K180 HydrophobicContact CE1-CG 4.5Å; F176-K180 HydrophobicContact CE2-CG 4.48Å; F176-K180 HydrophobicContact CZ-CG 4.36Å; F176-K180 WeakPolarHBondContact O-CB 3.49Å; F176-K180 VanDerWaalsContact O-CG 3.26Å; F176-K180 WeakPolarHBondContact O-CG 3.38Å; F176-K180 PolarHBondContact O-N 3.05Å; L177-K180 CarbonylContact O-C 3.6Å; L177-K180 PolarHBondContact O-N 3.21Å; L177-K180 VanDerWaalsContact O-N 3.13Å; L178-K180 PolarHBondContact O-N 3.12Å; K180-C182 PolarHBondContact O-N 2.91Å; K180-N185 PolarHBondContact O-ND2 2.99Å
181	I	94.4	Very high	93.7	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.138	24%	0.237	C	C	.	.			trans	-67.7	134.9	-179.7	-157.1	170.5	0	0	0	110.9	L177 L178 N185 C186 V189 L207 F210	L177-I181 PolarHBondContact O-N 3.26Å; L178-I181 VanDerWaalsContact O-CG2 3.3Å; L178-I181 WeakPolarHBondContact O-CG2 3.41Å; L178-I181 PolarHBondContact O-N 3.46Å; I181-N185 WeakPolarHBondContact CA-OD1 3.33Å; I181-C186 HydrophobicContact CD1-CB 4.36Å; I181-C186 HydrophobicContact CG1-CB 4.14Å; I181-V189 HydrophobicContact CD1-CB 4.27Å; I181-V189 HydrophobicContact CD1-CG1 4.03Å; I181-V189 HydrophobicContact CG1-CB 4.4Å; I181-V189 HydrophobicContact CG1-CG1 4.45Å; I181-V189 HydrophobicContact CG1-CG2 4.34Å; I181-L207 HydrophobicContact CD1-CD1 3.45Å; I181-L207 VanDerWaalsContact CD1-CD1 3.45Å; I181-F210 HydrophobicContact CD1-CD1 3.71Å; I181-F210 HydrophobicContact CD1-CE1 4.15Å; I181-F210 HydrophobicContact CD1-CG 4.25Å; I181-F210 HydrophobicContact CG1-CD1 3.97Å; I181-F210 HydrophobicContact CG1-CE1 3.95Å; I181-F210 HydrophobicContact CG1-CG 4.48Å; I181-F210 HydrophobicContact CG1-CZ 4.43Å; I181-F210 HydrophobicContact CG2-CB 4.29Å; I181-F210 HydrophobicContact CG2-CD1 4.06Å; I181-F210 HydrophobicContact CG2-CD2 3.64Å; I181-F210 HydrophobicContact CG2-CE1 4.36Å; I181-F210 HydrophobicContact CG2-CE2 3.96Å; I181-F210 HydrophobicContact CG2-CG 3.7Å; I181-F210 HydrophobicContact CG2-CZ 4.31Å
182	C	94.9	Very high	93.5	Very high	44 Å²	44	41 Å²	41	30%	0.297	22%	0.216	S	C	.	.			trans	-149.6	171.5	177.8	71	0	0	0	0	109.8	K180 E184 N185 C186	K180-C182 PolarHBondContact O-N 2.91Å; C182-E184 PolarHBondContact O-N 2.99Å; C182-E184 PolarHBondContact SG-OE2 2.93Å; C182-N185 PolarHBondContact N-OD1 3.4Å; C182-N185 PolarHBondContact O-N 3.21Å; C182-N185 PolarHBondContact O-OD1 3.41Å; C182-C186 VanDerWaalsContact O-CB 3.24Å; C182-C186 WeakPolarHBondContact O-CB 3.5Å; C182-C186 PolarHBondContact O-N 3.36Å
183	L	95	Very high	93.3	Very high	53 Å²	53	37 Å²	37	28%	0.277	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.6	-178.3	-58.4	179.2	0	0	0	112.1	F210 N214 P217 L218 R221	L183-F210 HydrophobicContact CD2-CZ 4.43Å; L183-N214 HydrophobicContact CD2-CB 3.82Å; L183-P217 HydrophobicContact CD1-CB 4.24Å; L183-P217 HydrophobicContact CD2-CB 4.2Å; L183-L218 HydrophobicContact CD2-CD2 3.84Å; L183-L218 HydrophobicContact CD2-CG 3.96Å; L183-R221 VanDerWaalsContact O-CD 3.29Å; L183-R221 WeakPolarHBondContact O-CD 3.47Å; L183-R221 PolarHBondContact O-NE 3.1Å; L183-R221 PolarHBondContact O-NH1 3.43Å; L183-R221 VanDerWaalsContact O-NH1 3.13Å
184	E	92.6	Very high	93	Very high	121 Å²	121	40.9 Å²	40.9	57%	0.565	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-27	-175.7	-62.7	65.9	-141.4	0	0	115	C182 R221	C182-E184 PolarHBondContact O-N 2.99Å; C182-E184 PolarHBondContact SG-OE2 2.93Å; E184-R221 IonicContact OE1-NH1 2.68Å
185	N	91.9	Very high	92.6	Very high	30 Å²	30	45.5 Å²	45.5	16%	0.16	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-8	-176.2	69.6	14.1	0	0	0	113.8	K180 I181 C182 A187 E188 V189	K180-N185 PolarHBondContact O-ND2 2.99Å; I181-N185 WeakPolarHBondContact CA-OD1 3.33Å; C182-N185 PolarHBondContact N-OD1 3.4Å; C182-N185 PolarHBondContact O-N 3.21Å; C182-N185 PolarHBondContact O-OD1 3.41Å; N185-A187 PolarHBondContact O-N 3.23Å; N185-E188 WeakPolarHBondContact O-CB 3.27Å; N185-E188 PolarHBondContact O-N 3.09Å; N185-V189 PolarHBondContact O-N 3.11Å
186	C	93.3	Very high	92.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.1	-47.4	-172.8	178.1	0	0	0	0	113.7	I181 C182 E188 V189 M190 F210 L211 L218	I181-C186 HydrophobicContact CD1-CB 4.36Å; I181-C186 HydrophobicContact CG1-CB 4.14Å; C182-C186 VanDerWaalsContact O-CB 3.24Å; C182-C186 WeakPolarHBondContact O-CB 3.5Å; C182-C186 PolarHBondContact O-N 3.36Å; C186-E188 VanDerWaalsContact C-N 3.26Å; C186-E188 PolarHBondContact O-N 2.9Å; C186-V189 PolarHBondContact O-N 2.86Å; C186-M190 WeakPolarHBondContact O-CG 3.26Å; C186-M190 PolarHBondContact O-N 3.38Å; C186-F210 HydrophobicContact CB-CE1 3.97Å; C186-L211 WeakPolarHBondContact SG-CD2 3.44Å; C186-L218 HydrophobicContact CB-CD2 4.02Å
187	A	92	Very high	91.7	Very high	14 Å²	14	47 Å²	47	12%	0.116	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-34.3	178.6	0	0	0	0	0	113.2	N185 R191 F224	N185-A187 PolarHBondContact O-N 3.23Å; A187-R191 WeakPolarHBondContact O-CB 3.35Å; A187-R191 PolarHBondContact O-N 2.82Å; A187-R191 VanDerWaalsContact O-N 3.08Å; A187-F224 HydrophobicContact CB-CD2 4.47Å
188	E	90.4	Very high	91.1	Very high	82 Å²	82	48.2 Å²	48.2	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-76.7	-38.2	176.8	178.5	64	-178.8	0	0	111.5	N185 C186 M190 R191 L192	N185-E188 WeakPolarHBondContact O-CB 3.27Å; N185-E188 PolarHBondContact O-N 3.09Å; C186-E188 VanDerWaalsContact C-N 3.26Å; C186-E188 PolarHBondContact O-N 2.9Å; E188-M190 VanDerWaalsContact C-N 3.34Å; E188-M190 PolarHBondContact O-N 3.08Å; E188-R191 PolarHBondContact O-N 3.32Å; E188-R191 IonicContact OE1-CZ 2.76Å; E188-R191 IonicContact OE1-NE 3.82Å; E188-R191 IonicContact OE1-NH2 2.85Å; E188-R191 PolarHBondContact OE1-NH2 3.1Å; E188-R191 IonicContact OE2-CZ 2.79Å; E188-R191 IonicContact OE2-NE 2.7Å; E188-R191 PolarHBondContact OE2-NE 3.28Å; E188-R191 IonicContact OE2-NH2 2.65Å; E188-R191 PolarHBondContact OE2-NH2 2.76Å; E188-L192 HydrophobicContact CG-CD1 4.3Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.49Å
189	V	92.4	Very high	90.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-43.5	172.2	175.2	0	0	0	0	110.8	L177 I181 N185 C186 L192 L193	L177-V189 HydrophobicContact CB-CG1 4.16Å; L177-V189 HydrophobicContact CD2-CG2 4.35Å; I181-V189 HydrophobicContact CD1-CB 4.27Å; I181-V189 HydrophobicContact CD1-CG1 4.03Å; I181-V189 HydrophobicContact CG1-CB 4.4Å; I181-V189 HydrophobicContact CG1-CG1 4.45Å; I181-V189 HydrophobicContact CG1-CG2 4.34Å; N185-V189 PolarHBondContact O-N 3.11Å; C186-V189 PolarHBondContact O-N 2.86Å; V189-L192 PolarHBondContact O-N 3.24Å; V189-L193 HydrophobicContact CG1-CD1 3.94Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.45Å; V189-L193 PolarHBondContact O-N 2.95Å; V189-L193 VanDerWaalsContact O-N 3.12Å
190	M	91	Very high	90.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-47.2	174.3	-63	156.8	77.7	0	0	111.3	C186 E188 L192 L193 E194 L207 L211 F224 Y227 R232	C186-M190 WeakPolarHBondContact O-CG 3.26Å; C186-M190 PolarHBondContact O-N 3.38Å; E188-M190 VanDerWaalsContact C-N 3.34Å; E188-M190 PolarHBondContact O-N 3.08Å; M190-L192 PolarHBondContact O-N 2.85Å; M190-L193 PolarHBondContact O-N 2.84Å; M190-E194 PolarHBondContact O-N 3.23Å; M190-L207 HydrophobicContact CG-CD1 3.87Å; M190-L207 HydrophobicContact CG-CD2 4.09Å; M190-L207 HydrophobicContact CG-CG 4.42Å; M190-L211 HydrophobicContact CE-CD1 3.92Å; M190-L211 HydrophobicContact CE-CD2 4.19Å; M190-L211 HydrophobicContact CG-CD1 4.45Å; M190-L211 HydrophobicContact SD-CD1 4.26Å; M190-L211 HydrophobicContact SD-CD2 3.85Å; M190-F224 HydrophobicContact CE-CD2 4.5Å; M190-F224 HydrophobicContact CE-CE2 3.77Å; M190-F224 HydrophobicContact SD-CD2 4.04Å; M190-F224 HydrophobicContact SD-CE2 3.63Å; M190-Y227 HydrophobicContact CB-CD1 4.25Å; M190-Y227 HydrophobicContact CB-CE1 3.68Å; M190-Y227 HydrophobicContact CE-CD1 4.01Å; M190-Y227 HydrophobicContact CE-CE1 4.15Å; M190-Y227 HydrophobicContact SD-CD1 4.45Å; M190-R232 VanDerWaalsContact CE-CZ 3.49Å
191	R	90.1	Very high	89.8	Confident	66 Å²	66	52.9 Å²	52.9	25%	0.249	29%	0.294	C	S	.	.	H	α-helix	trans	-57.5	-49.2	178.1	-172.4	-170.3	69.3	79.3	-4.1	111.9	A187 E188 L193 E194 D195 Y227	A187-R191 WeakPolarHBondContact O-CB 3.35Å; A187-R191 PolarHBondContact O-N 2.82Å; A187-R191 VanDerWaalsContact O-N 3.08Å; E188-R191 PolarHBondContact O-N 3.32Å; E188-R191 IonicContact OE1-CZ 2.76Å; E188-R191 IonicContact OE1-NE 3.82Å; E188-R191 IonicContact OE1-NH2 2.85Å; E188-R191 PolarHBondContact OE1-NH2 3.1Å; E188-R191 IonicContact OE2-CZ 2.79Å; E188-R191 IonicContact OE2-NE 2.7Å; E188-R191 PolarHBondContact OE2-NE 3.28Å; E188-R191 IonicContact OE2-NH2 2.65Å; E188-R191 PolarHBondContact OE2-NH2 2.76Å; R191-L193 PolarHBondContact O-N 3.48Å; R191-E194 PolarHBondContact O-N 3.3Å; R191-D195 WeakPolarHBondContact CG-OD2 3.17Å; R191-D195 IonicContact CZ-OD2 2.75Å; R191-D195 IonicContact NH1-OD2 3.34Å; R191-D195 PolarHBondContact NH1-OD2 3.26Å; R191-D195 VanDerWaalsContact O-CB 3.29Å; R191-D195 WeakPolarHBondContact O-CB 3.39Å; R191-D195 PolarHBondContact O-N 2.65Å; R191-Y227 WeakPolarHBondContact CA-OH 3.42Å; R191-Y227 HydrophobicContact CB-CE2 3.87Å; R191-Y227 HydrophobicContact CG-CE2 4.02Å
192	L	90.6	Very high	89.6	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-43.2	179.8	-68.6	169.2	0	0	0	112	Q155 L177 E188 V189 M190 E194 F196	Q155-L192 HydrophobicContact CB-CD2 3.82Å; Q155-L192 HydrophobicContact CG-CD2 3.57Å; L177-L192 HydrophobicContact CD2-CD1 4.32Å; E188-L192 HydrophobicContact CG-CD1 4.3Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.49Å; V189-L192 PolarHBondContact O-N 3.24Å; M190-L192 PolarHBondContact O-N 2.85Å; L192-E194 VanDerWaalsContact C-N 3.33Å; L192-E194 PolarHBondContact O-N 3.18Å; L192-F196 HydrophobicContact CD2-CE2 4.04Å; L192-F196 WeakPolarHBondContact O-CD2 3.45Å; L192-F196 PolarHBondContact O-N 3.07Å
193	L	90.9	Very high	89.5	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-31.4	-179.7	-67.1	171.8	0	0	0	112.8	L177 V189 M190 R191 S197 V198 V203 L207	L177-L193 HydrophobicContact CD1-CD2 4.4Å; V189-L193 HydrophobicContact CG1-CD1 3.94Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.45Å; V189-L193 PolarHBondContact O-N 2.95Å; V189-L193 VanDerWaalsContact O-N 3.12Å; M190-L193 PolarHBondContact O-N 2.84Å; R191-L193 PolarHBondContact O-N 3.48Å; L193-S197 PolarHBondContact O-N 3.34Å; L193-V198 HydrophobicContact CD2-CB 4.09Å; L193-V198 HydrophobicContact CD2-CG1 4.14Å; L193-V198 HydrophobicContact CD2-CG2 3.87Å; L193-V198 PolarHBondContact O-N 3.08Å; L193-V203 HydrophobicContact CD1-CG1 4Å; L193-V203 HydrophobicContact CD2-CG1 3.91Å; L193-L207 HydrophobicContact CD1-CD2 4.03Å
194	E	88.8	Confident	89.3	Confident	81 Å²	81	53.9 Å²	53.9	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-84.3	-44.5	178.1	-79.7	166.8	-166.2	0	0	113.4	M190 R191 L192 F196 S197 Y227 R232	M190-E194 PolarHBondContact O-N 3.23Å; R191-E194 PolarHBondContact O-N 3.3Å; L192-E194 VanDerWaalsContact C-N 3.33Å; L192-E194 PolarHBondContact O-N 3.18Å; E194-F196 PolarHBondContact O-N 3.17Å; E194-S197 PolarHBondContact O-N 2.9Å; E194-S197 PolarHBondContact O-OG 3.1Å; E194-Y227 PolarHBondContact OE2-OH 2.7Å; E194-R232 IonicContact OE1-CZ 3.43Å; E194-R232 IonicContact OE1-NH1 2.79Å; E194-R232 PolarHBondContact OE1-NH1 3.44Å; E194-R232 IonicContact OE1-NH2 2.71Å; E194-R232 PolarHBondContact OE1-NH2 2.76Å; E194-R232 VanDerWaalsContact OE1-NH2 3.16Å; E194-R232 IonicContact OE2-CZ 2.62Å; E194-R232 IonicContact OE2-NH1 2.63Å; E194-R232 PolarHBondContact OE2-NH1 3.03Å
195	D	88.3	Confident	89.2	Confident	99 Å²	99	54.2 Å²	54.2	53%	0.529	30%	0.301	S	S	.	.	H	α-helix	trans	-58.7	-34.5	177.4	-79.2	-14	0	0	0	111.9	R191	R191-D195 WeakPolarHBondContact CG-OD2 3.17Å; R191-D195 IonicContact CZ-OD2 2.75Å; R191-D195 IonicContact NH1-OD2 3.34Å; R191-D195 PolarHBondContact NH1-OD2 3.26Å; R191-D195 VanDerWaalsContact O-CB 3.29Å; R191-D195 WeakPolarHBondContact O-CB 3.39Å; R191-D195 PolarHBondContact O-N 2.65Å
196	F	86.6	Confident	89.3	Confident	43 Å²	43	58.1 Å²	58.1	19%	0.189	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.9	174	-61.3	-53.8	0	0	0	114.2	Q155 L158 Q159 M162 L192 E194 V198	Q155-F196 HydrophobicContact CG-CE2 4.32Å; Q155-F196 HydrophobicContact CG-CZ 4.22Å; L158-F196 HydrophobicContact CB-CE2 4.45Å; L158-F196 HydrophobicContact CD2-CD2 3.58Å; L158-F196 HydrophobicContact CD2-CE2 4.02Å; L158-F196 HydrophobicContact CG-CD2 3.78Å; L158-F196 HydrophobicContact CG-CE2 4.13Å; L158-F196 HydrophobicContact CG-CG 4.48Å; Q159-F196 HydrophobicContact CB-CE1 3.67Å; Q159-F196 HydrophobicContact CB-CZ 3.65Å; Q159-F196 HydrophobicContact CG-CE1 3.85Å; Q159-F196 HydrophobicContact CG-CZ 4.24Å; M162-F196 HydrophobicContact CE-CB 4.42Å; M162-F196 WeakPolarHBondContact CE-O 3.37Å; M162-F196 HydrophobicContact SD-CB 3.67Å; M162-F196 HydrophobicContact SD-CG 4.48Å; L192-F196 HydrophobicContact CD2-CE2 4.04Å; L192-F196 WeakPolarHBondContact O-CD2 3.45Å; L192-F196 PolarHBondContact O-N 3.07Å; E194-F196 PolarHBondContact O-N 3.17Å; F196-V198 HydrophobicContact CB-CG2 4.19Å; F196-V198 PolarHBondContact O-N 3.49Å
197	S	85.2	Confident	89.3	Confident	98 Å²	98	58.3 Å²	58.3	69%	0.685	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	53.5	-179.1	-63.7	0	0	0	0	113.1	L193 E194 G199	L193-S197 PolarHBondContact O-N 3.34Å; E194-S197 PolarHBondContact O-N 2.9Å; E194-S197 PolarHBondContact O-OG 3.1Å; S197-G199 PolarHBondContact O-N 3.27Å; S197-G199 VanDerWaalsContact O-N 3.07Å
198	V	81.8	Confident	89.4	Confident	26 Å²	26	59.1 Å²	59.1	16%	0.158	32%	0.322	C	S	.	.			trans	-64.4	106.4	-173.7	173	0	0	0	0	111.8	M162 C174 L193 F196 V200 V203	M162-V198 HydrophobicContact SD-CG2 3.9Å; C174-V198 WeakPolarHBondContact SG-CG1 3.38Å; L193-V198 HydrophobicContact CD2-CB 4.09Å; L193-V198 HydrophobicContact CD2-CG1 4.14Å; L193-V198 HydrophobicContact CD2-CG2 3.87Å; L193-V198 PolarHBondContact O-N 3.08Å; F196-V198 HydrophobicContact CB-CG2 4.19Å; F196-V198 PolarHBondContact O-N 3.49Å; V198-V200 VanDerWaalsContact C-N 3.3Å; V198-V200 HydrophobicContact CG1-CB 3.94Å; V198-V200 HydrophobicContact CG1-CG2 3.8Å; V198-V200 PolarHBondContact O-N 2.9Å; V198-V203 HydrophobicContact CG1-CG1 4.31Å
199	G	81.3	Confident	89.5	Confident	81 Å²	81	58.8 Å²	58.8	84%	0.835	32%	0.323	S	S	*	.			trans	-86.5	23.8	178	0	0	0	0	0	115.6	S197	S197-G199 PolarHBondContact O-N 3.27Å; S197-G199 VanDerWaalsContact O-N 3.07Å
200	V	86.7	Confident	89.7	Confident	33 Å²	33	60.6 Å²	60.6	20%	0.2	33%	0.331	C	S	.	.			trans	-79.4	131.4	-178.7	178	0	0	0	0	110.5	V170 E171 V198 V203	V170-V200 HydrophobicContact CG1-CG2 3.99Å; E171-V200 HydrophobicContact CG-CG1 3.96Å; E171-V200 HydrophobicContact CG-CG2 4.22Å; V198-V200 VanDerWaalsContact C-N 3.3Å; V198-V200 HydrophobicContact CG1-CB 3.94Å; V198-V200 HydrophobicContact CG1-CG2 3.8Å; V198-V200 PolarHBondContact O-N 2.9Å; V200-V203 HydrophobicContact CB-CB 4.4Å; V200-V203 HydrophobicContact CB-CG2 3.77Å; V200-V203 HydrophobicContact CG1-CG2 3.61Å; V200-V203 PolarHBondContact O-N 3.29Å
201	E	88.5	Confident	89.9	Confident	192 Å²	192	60.7 Å²	60.7	90%	0.897	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	140.6	-178	-167.7	171.8	-178.4	0	0	112.1	V203	E201-V203 PolarHBondContact O-N 2.89Å
202	G	89.6	Confident	90.1	Very high	26 Å²	26	58.3 Å²	58.3	27%	0.268	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	-10.4	179	0	0	0	0	0	116.7	E205 Q206	G202-E205 PolarHBondContact O-N 3.39Å; G202-Q206 WeakPolarHBondContact O-CG 3.47Å; G202-Q206 PolarHBondContact O-N 2.98Å; G202-Q206 PolarHBondContact O-NE2 3.48Å
203	V	92.6	Very high	90.3	Very high	10 Å²	10	62.4 Å²	62.4	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-43.8	179.1	164.2	0	0	0	0	111.7	C174 L178 L193 V198 V200 E201 Q206 L207	C174-V203 HydrophobicContact CB-CG1 4.31Å; C174-V203 HydrophobicContact CB-CG2 3.75Å; L178-V203 HydrophobicContact CD1-CB 4.24Å; L178-V203 HydrophobicContact CD1-CG1 4.08Å; L178-V203 HydrophobicContact CD1-CG2 4.08Å; L193-V203 HydrophobicContact CD1-CG1 4Å; L193-V203 HydrophobicContact CD2-CG1 3.91Å; V198-V203 HydrophobicContact CG1-CG1 4.31Å; V200-V203 HydrophobicContact CB-CB 4.4Å; V200-V203 HydrophobicContact CB-CG2 3.77Å; V200-V203 HydrophobicContact CG1-CG2 3.61Å; V200-V203 PolarHBondContact O-N 3.29Å; E201-V203 PolarHBondContact O-N 2.89Å; V203-Q206 PolarHBondContact O-N 3.36Å; V203-L207 WeakPolarHBondContact O-CB 3.47Å; V203-L207 PolarHBondContact O-N 3.28Å; V203-L207 VanDerWaalsContact O-N 3.09Å
204	Q	90.2	Very high	90.5	Very high	110 Å²	110	63.8 Å²	63.8	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-69.1	-37.3	179.2	-162	-78.4	-24.1	0	0	111.7	L207 D208	Q204-L207 PolarHBondContact O-N 3.49Å; Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 PolarHBondContact NE2-OD2 3.3Å; Q204-D208 WeakPolarHBondContact O-CB 3.32Å; Q204-D208 PolarHBondContact O-N 3.01Å
205	E	91.9	Very high	90.9	Very high	127 Å²	127	60 Å²	60	59%	0.593	34%	0.335	S	S	*	.	H	α-helix	trans	-63.7	-44.7	175.2	-176.9	-176.8	176.6	0	0	111.8	G202 L207 D208 N209	G202-E205 PolarHBondContact O-N 3.39Å; E205-L207 VanDerWaalsContact C-N 3.34Å; E205-L207 PolarHBondContact O-N 2.95Å; E205-D208 PolarHBondContact O-N 3.38Å; E205-N209 WeakPolarHBondContact O-CB 3.49Å; E205-N209 VanDerWaalsContact O-CG 3.22Å; E205-N209 PolarHBondContact O-N 3.37Å; E205-N209 PolarHBondContact O-ND2 2.96Å; E205-N209 VanDerWaalsContact O-ND2 3.1Å
206	Q	93.6	Very high	91.3	Very high	112 Å²	112	56.5 Å²	56.5	52%	0.523	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-39.2	176.4	-75.2	175.5	67.3	0	0	112.4	L178 G202 V203 F210	L178-Q206 HydrophobicContact CD1-CB 3.85Å; L178-Q206 HydrophobicContact CD2-CB 4.19Å; G202-Q206 WeakPolarHBondContact O-CG 3.47Å; G202-Q206 PolarHBondContact O-N 2.98Å; G202-Q206 PolarHBondContact O-NE2 3.48Å; V203-Q206 PolarHBondContact O-N 3.36Å; Q206-F210 PolarHBondContact O-N 3.47Å
207	L	93.8	Very high	91.8	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-51.3	174.2	176.2	63.5	0	0	0	111.5	L178 I181 M190 L193 V203 Q204 E205 N209 F210 L211	L178-L207 HydrophobicContact CD2-CB 4.13Å; I181-L207 HydrophobicContact CD1-CD1 3.45Å; I181-L207 VanDerWaalsContact CD1-CD1 3.45Å; M190-L207 HydrophobicContact CG-CD1 3.87Å; M190-L207 HydrophobicContact CG-CD2 4.09Å; M190-L207 HydrophobicContact CG-CG 4.42Å; L193-L207 HydrophobicContact CD1-CD2 4.03Å; V203-L207 WeakPolarHBondContact O-CB 3.47Å; V203-L207 PolarHBondContact O-N 3.28Å; V203-L207 VanDerWaalsContact O-N 3.09Å; Q204-L207 PolarHBondContact O-N 3.49Å; E205-L207 VanDerWaalsContact C-N 3.34Å; E205-L207 PolarHBondContact O-N 2.95Å; L207-N209 PolarHBondContact O-N 2.91Å; L207-F210 PolarHBondContact O-N 3.04Å; L207-L211 HydrophobicContact CD1-CD1 4.22Å; L207-L211 HydrophobicContact CD1-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 3.97Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.29Å; L207-L211 PolarHBondContact O-N 3.35Å
208	D	93.1	Very high	92.3	Very high	32 Å²	32	52.5 Å²	52.5	17%	0.171	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-35.9	-178.3	-89.1	7.4	0	0	0	112.2	Q204 E205 L211 L212 Y236	Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 PolarHBondContact NE2-OD2 3.3Å; Q204-D208 WeakPolarHBondContact O-CB 3.32Å; Q204-D208 PolarHBondContact O-N 3.01Å; E205-D208 PolarHBondContact O-N 3.38Å; D208-L211 PolarHBondContact O-N 2.88Å; D208-L212 WeakPolarHBondContact O-CB 3.47Å; D208-L212 WeakPolarHBondContact O-CD1 3.37Å; D208-L212 WeakPolarHBondContact O-CG 3.4Å; D208-L212 PolarHBondContact O-N 3.16Å; D208-Y236 HydrophobicContact CB-CE1 4.36Å; D208-Y236 VanDerWaalsContact CG-CE1 3.49Å; D208-Y236 VanDerWaalsContact OD1-CE1 3.27Å; D208-Y236 WeakPolarHBondContact OD1-CE1 3.49Å; D208-Y236 PolarHBondContact OD1-OH 2.95Å
209	N	93.4	Very high	93	Very high	75 Å²	75	51.3 Å²	51.3	40%	0.401	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-48.6	171.5	-75.5	-33.8	0	0	0	111.3	E205 L207 L211 L212 D213	E205-N209 WeakPolarHBondContact O-CB 3.49Å; E205-N209 VanDerWaalsContact O-CG 3.22Å; E205-N209 PolarHBondContact O-N 3.37Å; E205-N209 PolarHBondContact O-ND2 2.96Å; E205-N209 VanDerWaalsContact O-ND2 3.1Å; L207-N209 PolarHBondContact O-N 2.91Å; N209-L211 VanDerWaalsContact C-N 3.3Å; N209-L211 PolarHBondContact O-N 3.22Å; N209-L212 PolarHBondContact O-N 3.13Å; N209-D213 WeakPolarHBondContact O-CB 3.25Å; N209-D213 PolarHBondContact O-N 3.45Å
210	F	95.5	Very high	93.7	Very high	39 Å²	39	52 Å²	52	17%	0.171	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-40.1	175.3	176	-91	0	0	0	112.4	I181 L183 C186 Q206 L207 N214 L218	I181-F210 HydrophobicContact CD1-CD1 3.71Å; I181-F210 HydrophobicContact CD1-CE1 4.15Å; I181-F210 HydrophobicContact CD1-CG 4.25Å; I181-F210 HydrophobicContact CG1-CD1 3.97Å; I181-F210 HydrophobicContact CG1-CE1 3.95Å; I181-F210 HydrophobicContact CG1-CG 4.48Å; I181-F210 HydrophobicContact CG1-CZ 4.43Å; I181-F210 HydrophobicContact CG2-CB 4.29Å; I181-F210 HydrophobicContact CG2-CD1 4.06Å; I181-F210 HydrophobicContact CG2-CD2 3.64Å; I181-F210 HydrophobicContact CG2-CE1 4.36Å; I181-F210 HydrophobicContact CG2-CE2 3.96Å; I181-F210 HydrophobicContact CG2-CG 3.7Å; I181-F210 HydrophobicContact CG2-CZ 4.31Å; L183-F210 HydrophobicContact CD2-CZ 4.43Å; C186-F210 HydrophobicContact CB-CE1 3.97Å; Q206-F210 PolarHBondContact O-N 3.47Å; L207-F210 PolarHBondContact O-N 3.04Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.2Å; F210-N214 WeakPolarHBondContact O-CB 3.33Å; F210-N214 PolarHBondContact O-N 2.49Å; F210-N214 PolarHBondContact O-ND2 2.79Å; F210-L218 HydrophobicContact CE1-CD1 4.43Å
211	L	95.2	Very high	94.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-40	178.1	-72.6	173.2	0	0	0	112.8	C186 M190 L207 D208 N209 F215 L218 F224 Y236	C186-L211 WeakPolarHBondContact SG-CD2 3.44Å; M190-L211 HydrophobicContact CE-CD1 3.92Å; M190-L211 HydrophobicContact CE-CD2 4.19Å; M190-L211 HydrophobicContact CG-CD1 4.45Å; M190-L211 HydrophobicContact SD-CD1 4.26Å; M190-L211 HydrophobicContact SD-CD2 3.85Å; L207-L211 HydrophobicContact CD1-CD1 4.22Å; L207-L211 HydrophobicContact CD1-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 3.97Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.29Å; L207-L211 PolarHBondContact O-N 3.35Å; D208-L211 PolarHBondContact O-N 2.88Å; N209-L211 VanDerWaalsContact C-N 3.3Å; N209-L211 PolarHBondContact O-N 3.22Å; L211-F215 VanDerWaalsContact O-CA 3.25Å; L211-F215 WeakPolarHBondContact O-CA 3.43Å; L211-F215 WeakPolarHBondContact O-CB 3.48Å; L211-F215 PolarHBondContact O-N 2.95Å; L211-L218 HydrophobicContact CD2-CD1 3.64Å; L211-F224 HydrophobicContact CD2-CE2 3.56Å; L211-F224 HydrophobicContact CD2-CZ 3.94Å; L211-Y236 HydrophobicContact CD1-CE1 4.44Å; L211-Y236 HydrophobicContact CD1-CE2 4.3Å; L211-Y236 VanDerWaalsContact CD1-OH 3.25Å; L211-Y236 WeakPolarHBondContact CD1-OH 3.44Å
212	L	95.3	Very high	94.3	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-71.9	-42.1	178.5	-69.1	161.5	0	0	0	111.1	D208 N209 N214 Y236 A241 L242 Y245	D208-L212 WeakPolarHBondContact O-CB 3.47Å; D208-L212 WeakPolarHBondContact O-CD1 3.37Å; D208-L212 WeakPolarHBondContact O-CG 3.4Å; D208-L212 PolarHBondContact O-N 3.16Å; N209-L212 PolarHBondContact O-N 3.13Å; L212-N214 PolarHBondContact O-N 3.47Å; L212-Y236 HydrophobicContact CD2-CD1 4.06Å; L212-Y236 HydrophobicContact CG-CD1 4.39Å; L212-A241 HydrophobicContact CD1-CB 4.1Å; L212-L242 HydrophobicContact CB-CD2 4.42Å; L212-L242 HydrophobicContact CD2-CD2 3.68Å; L212-L242 HydrophobicContact CD2-CG 3.8Å; L212-Y245 WeakPolarHBondContact O-CE2 3.29Å
213	D	93.9	Very high	94.4	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-22.1	176.9	-78.5	-12	0	0	0	114.1	N209 Y245	N209-D213 WeakPolarHBondContact O-CB 3.25Å; N209-D213 PolarHBondContact O-N 3.45Å; D213-Y245 PolarHBondContact O-OH 3.18Å; D213-Y245 VanDerWaalsContact O-OH 3.11Å
214	N	95.9	Very high	94.5	Very high	40 Å²	40	48.9 Å²	48.9	21%	0.214	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	16.4	-173.3	-64.7	-87.9	0	0	0	113.5	L183 F210 L212 V216 P217 L218 Y245	L183-N214 HydrophobicContact CD2-CB 3.82Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.2Å; F210-N214 WeakPolarHBondContact O-CB 3.33Å; F210-N214 PolarHBondContact O-N 2.49Å; F210-N214 PolarHBondContact O-ND2 2.79Å; L212-N214 PolarHBondContact O-N 3.47Å; N214-V216 PolarHBondContact O-N 2.83Å; N214-P217 VanDerWaalsContact O-CD 3.28Å; N214-P217 WeakPolarHBondContact O-CD 3.31Å; N214-L218 HydrophobicContact CB-CD1 3.93Å; N214-L218 HydrophobicContact CB-CG 4.17Å; N214-L218 WeakPolarHBondContact O-CB 3.19Å; N214-L218 VanDerWaalsContact O-CG 3.31Å; N214-L218 WeakPolarHBondContact O-CG 3.19Å; N214-L218 PolarHBondContact O-N 3.24Å; N214-Y245 WeakPolarHBondContact CA-OH 3.18Å
215	F	97	Very high	94.8	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-52.5	-166.6	-176.9	-97.5	0	0	0	114.2	L211 L218 M219 L233 Y236 L237 L242 Y245 L250 A253	L211-F215 VanDerWaalsContact O-CA 3.25Å; L211-F215 WeakPolarHBondContact O-CA 3.43Å; L211-F215 WeakPolarHBondContact O-CB 3.48Å; L211-F215 PolarHBondContact O-N 2.95Å; F215-L218 PolarHBondContact O-N 3.03Å; F215-M219 HydrophobicContact CD1-CG 4.12Å; F215-M219 HydrophobicContact CD2-CG 4.31Å; F215-M219 HydrophobicContact CE1-CG 3.87Å; F215-M219 HydrophobicContact CE2-CG 4.07Å; F215-M219 HydrophobicContact CE2-SD 4.27Å; F215-M219 HydrophobicContact CG-CG 4.34Å; F215-M219 HydrophobicContact CZ-CE 4.28Å; F215-M219 HydrophobicContact CZ-CG 3.85Å; F215-M219 HydrophobicContact CZ-SD 4.12Å; F215-M219 WeakPolarHBondContact O-CB 3.34Å; F215-M219 WeakPolarHBondContact O-CG 3.33Å; F215-M219 PolarHBondContact O-N 3.17Å; F215-L233 HydrophobicContact CE2-CD1 4.06Å; F215-L233 HydrophobicContact CZ-CD1 3.64Å; F215-Y236 HydrophobicContact CE2-CD2 4.44Å; F215-Y236 HydrophobicContact CE2-CG 4.48Å; F215-L237 HydrophobicContact CE1-CD2 3.98Å; F215-L237 HydrophobicContact CZ-CD2 3.84Å; F215-L237 HydrophobicContact CZ-CG 4.24Å; F215-L242 HydrophobicContact CB-CD2 3.58Å; F215-L242 HydrophobicContact CD1-CD1 4.39Å; F215-L242 HydrophobicContact CD1-CD2 4.13Å; F215-L242 HydrophobicContact CD2-CD2 4.2Å; F215-L242 HydrophobicContact CE1-CD1 4.44Å; F215-L242 HydrophobicContact CG-CD2 3.72Å; F215-Y245 HydrophobicContact CB-CD2 4.31Å; F215-Y245 HydrophobicContact CB-CE2 3.75Å; F215-Y245 PolarHBondContact N-OH 2.75Å; F215-L250 HydrophobicContact CD1-CD2 3.57Å; F215-L250 HydrophobicContact CE1-CD2 3.72Å; F215-A253 HydrophobicContact CE1-CB 4.14Å
216	V	96.8	Very high	94.8	Very high	27 Å²	27	41.5 Å²	41.5	16%	0.164	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-44.4	-177.8	174.4	0	0	0	0	112.6	N214 L218 M219 S220 Y245 E249 L250	N214-V216 PolarHBondContact O-N 2.83Å; V216-L218 PolarHBondContact O-N 3.34Å; V216-M219 PolarHBondContact O-N 3.34Å; V216-S220 PolarHBondContact O-N 3.23Å; V216-S220 PolarHBondContact O-OG 2.95Å; V216-S220 VanDerWaalsContact O-OG 3.1Å; V216-Y245 HydrophobicContact CB-CD1 3.87Å; V216-Y245 HydrophobicContact CB-CE1 3.68Å; V216-Y245 HydrophobicContact CB-CG 4.46Å; V216-Y245 HydrophobicContact CG2-CD1 3.42Å; V216-Y245 VanDerWaalsContact CG2-CD1 3.42Å; V216-Y245 HydrophobicContact CG2-CD2 4.04Å; V216-Y245 HydrophobicContact CG2-CE1 3.73Å; V216-Y245 HydrophobicContact CG2-CE2 4.29Å; V216-Y245 HydrophobicContact CG2-CG 3.59Å; V216-E249 HydrophobicContact CG1-CB 4.35Å; V216-E249 HydrophobicContact CG2-CB 3.97Å; V216-L250 HydrophobicContact CG2-CD2 4.13Å
217	P	96.6	Very high	94.6	Very high	56 Å²	56	39.5 Å²	39.5	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-54	-45.6	167.9	-29.6	34.7	0	0	0	114.5	L183 N214 S220 Y245	L183-P217 HydrophobicContact CD1-CB 4.24Å; L183-P217 HydrophobicContact CD2-CB 4.2Å; N214-P217 VanDerWaalsContact O-CD 3.28Å; N214-P217 WeakPolarHBondContact O-CD 3.31Å; P217-S220 WeakPolarHBondContact O-CB 3.39Å; P217-S220 PolarHBondContact O-N 2.95Å; P217-Y245 WeakPolarHBondContact CD-OH 3.32Å
218	L	96.4	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-42.1	179.5	-72	168.4	0	0	0	112.1	L183 C186 F210 L211 N214 F215 V216 S220 R221 F224	L183-L218 HydrophobicContact CD2-CD2 3.84Å; L183-L218 HydrophobicContact CD2-CG 3.96Å; C186-L218 HydrophobicContact CB-CD2 4.02Å; F210-L218 HydrophobicContact CE1-CD1 4.43Å; L211-L218 HydrophobicContact CD2-CD1 3.64Å; N214-L218 HydrophobicContact CB-CD1 3.93Å; N214-L218 HydrophobicContact CB-CG 4.17Å; N214-L218 WeakPolarHBondContact O-CB 3.19Å; N214-L218 VanDerWaalsContact O-CG 3.31Å; N214-L218 WeakPolarHBondContact O-CG 3.19Å; N214-L218 PolarHBondContact O-N 3.24Å; F215-L218 PolarHBondContact O-N 3.03Å; V216-L218 PolarHBondContact O-N 3.34Å; L218-S220 PolarHBondContact O-N 2.69Å; L218-S220 VanDerWaalsContact O-N 3.11Å; L218-R221 WeakPolarHBondContact O-CB 3.35Å; L218-R221 PolarHBondContact O-N 3.43Å; L218-F224 HydrophobicContact CB-CD1 3.81Å; L218-F224 HydrophobicContact CB-CD2 4.3Å; L218-F224 HydrophobicContact CB-CE1 3.77Å; L218-F224 HydrophobicContact CB-CE2 4.27Å; L218-F224 HydrophobicContact CB-CG 4.08Å; L218-F224 HydrophobicContact CB-CZ 4.01Å; L218-F224 HydrophobicContact CD1-CE2 4.24Å; L218-F224 HydrophobicContact CD1-CZ 4.28Å; L218-F224 HydrophobicContact CD2-CD2 4.34Å; L218-F224 WeakPolarHBondContact O-CD1 3.49Å
219	M	96.5	Very high	94.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-8.8	176.9	-69.4	-71.7	-70.5	0	0	113.8	F215 V216 R221 F224 L225 L228 L233 A253 W257	F215-M219 HydrophobicContact CD1-CG 4.12Å; F215-M219 HydrophobicContact CD2-CG 4.31Å; F215-M219 HydrophobicContact CE1-CG 3.87Å; F215-M219 HydrophobicContact CE2-CG 4.07Å; F215-M219 HydrophobicContact CE2-SD 4.27Å; F215-M219 HydrophobicContact CG-CG 4.34Å; F215-M219 HydrophobicContact CZ-CE 4.28Å; F215-M219 HydrophobicContact CZ-CG 3.85Å; F215-M219 HydrophobicContact CZ-SD 4.12Å; F215-M219 WeakPolarHBondContact O-CB 3.34Å; F215-M219 WeakPolarHBondContact O-CG 3.33Å; F215-M219 PolarHBondContact O-N 3.17Å; V216-M219 PolarHBondContact O-N 3.34Å; M219-R221 VanDerWaalsContact C-N 3.35Å; M219-F224 HydrophobicContact CG-CE1 4.19Å; M219-F224 HydrophobicContact SD-CD1 4.25Å; M219-F224 HydrophobicContact SD-CE1 3.78Å; M219-L225 HydrophobicContact CE-CD2 3.98Å; M219-L225 WeakPolarHBondContact O-CD1 3.49Å; M219-L225 HydrophobicContact SD-CD2 3.83Å; M219-L228 HydrophobicContact CE-CD2 4.37Å; M219-L228 HydrophobicContact SD-CD2 3.47Å; M219-L228 WeakPolarHBondContact SD-CD2 3.24Å; M219-L233 HydrophobicContact CE-CD1 3.52Å; M219-L233 HydrophobicContact CE-CD2 4.38Å; M219-L233 HydrophobicContact SD-CD1 3.97Å; M219-A253 HydrophobicContact CB-CB 3.65Å; M219-A253 HydrophobicContact CE-CB 3.96Å; M219-A253 WeakPolarHBondContact CE-O 3.28Å; M219-A253 HydrophobicContact CG-CB 3.97Å; M219-W257 HydrophobicContact CE-CB 3.74Å; M219-W257 HydrophobicContact CE-CG 4.46Å
220	S	95.1	Very high	94.7	Very high	97 Å²	97	36.7 Å²	36.7	68%	0.678	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.8	170.2	-57	0	0	0	0	113.4	V216 P217 L218	V216-S220 PolarHBondContact O-N 3.23Å; V216-S220 PolarHBondContact O-OG 2.95Å; V216-S220 VanDerWaalsContact O-OG 3.1Å; P217-S220 WeakPolarHBondContact O-CB 3.39Å; P217-S220 PolarHBondContact O-N 2.95Å; L218-S220 PolarHBondContact O-N 2.69Å; L218-S220 VanDerWaalsContact O-N 3.11Å
221	R	95.3	Very high	94.7	Very high	65 Å²	65	40.5 Å²	40.5	25%	0.245	23%	0.232	C	C	.	.			trans	-104.1	131.3	-173.3	-51.5	176.6	53.1	102.9	-2.9	113.9	L183 E184 L218 M219 D223 F224 L225	L183-R221 VanDerWaalsContact O-CD 3.29Å; L183-R221 WeakPolarHBondContact O-CD 3.47Å; L183-R221 PolarHBondContact O-NE 3.1Å; L183-R221 PolarHBondContact O-NH1 3.43Å; L183-R221 VanDerWaalsContact O-NH1 3.13Å; E184-R221 IonicContact OE1-NH1 2.68Å; L218-R221 WeakPolarHBondContact O-CB 3.35Å; L218-R221 PolarHBondContact O-N 3.43Å; M219-R221 VanDerWaalsContact C-N 3.35Å; R221-D223 VanDerWaalsContact C-N 3.33Å; R221-D223 WeakPolarHBondContact CB-OD1 3.34Å; R221-D223 IonicContact CZ-OD1 3.72Å; R221-D223 IonicContact CZ-OD2 3.77Å; R221-D223 IonicContact NE-OD1 3.39Å; R221-D223 PolarHBondContact NE-OD1 3.3Å; R221-D223 IonicContact NE-OD2 2.86Å; R221-D223 PolarHBondContact NE-OD2 2.79Å; R221-D223 IonicContact NH2-OD1 2.7Å; R221-D223 PolarHBondContact NH2-OD1 3.06Å; R221-D223 IonicContact NH2-OD2 3.25Å; R221-D223 PolarHBondContact NH2-OD2 3.4Å; R221-D223 PolarHBondContact O-N 2.84Å; R221-F224 HydrophobicContact CB-CB 4.23Å; R221-F224 PolarHBondContact O-N 3.15Å; R221-L225 WeakPolarHBondContact O-CB 3.43Å; R221-L225 VanDerWaalsContact O-CG 3.24Å; R221-L225 WeakPolarHBondContact O-CG 3.21Å; R221-L225 PolarHBondContact O-N 3.38Å
222	A	93.2	Very high	94.6	Very high	63 Å²	63	42 Å²	42	52%	0.521	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-26.1	-177.7	0	0	0	0	0	114.9	S226 H260	A222-S226 WeakPolarHBondContact O-CB 3.36Å; A222-S226 PolarHBondContact O-N 2.85Å; A222-S226 VanDerWaalsContact O-N 3.16Å; A222-S226 PolarHBondContact O-OG 3.46Å; A222-H260 PolarHBondContact O-CE1 3.18Å; A222-H260 PolarHBondContact O-NE2 2.88Å
223	D	92.3	Very high	94.6	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	23%	0.234	S	C	.	.	H	α-helix	trans	-73.2	-52.5	175.8	57.4	-15.9	0	0	0	111.2	R221 L225 S226 Y227	R221-D223 VanDerWaalsContact C-N 3.33Å; R221-D223 WeakPolarHBondContact CB-OD1 3.34Å; R221-D223 IonicContact CZ-OD1 3.72Å; R221-D223 IonicContact CZ-OD2 3.77Å; R221-D223 IonicContact NE-OD1 3.39Å; R221-D223 PolarHBondContact NE-OD1 3.3Å; R221-D223 IonicContact NE-OD2 2.86Å; R221-D223 PolarHBondContact NE-OD2 2.79Å; R221-D223 IonicContact NH2-OD1 2.7Å; R221-D223 PolarHBondContact NH2-OD1 3.06Å; R221-D223 IonicContact NH2-OD2 3.25Å; R221-D223 PolarHBondContact NH2-OD2 3.4Å; R221-D223 PolarHBondContact O-N 2.84Å; D223-L225 PolarHBondContact O-N 2.97Å; D223-S226 VanDerWaalsContact O-CB 3.32Å; D223-S226 WeakPolarHBondContact O-CB 3.47Å; D223-S226 PolarHBondContact O-N 3.42Å; D223-Y227 PolarHBondContact O-N 3.02Å
224	F	94.6	Very high	94.8	Very high	2 Å²	2	39 Å²	39	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-45.9	174.4	-174.9	-101.2	0	0	0	111.8	A187 M190 L211 L218 M219 R221 S226 Y227 L228	A187-F224 HydrophobicContact CB-CD2 4.47Å; M190-F224 HydrophobicContact CE-CD2 4.5Å; M190-F224 HydrophobicContact CE-CE2 3.77Å; M190-F224 HydrophobicContact SD-CD2 4.04Å; M190-F224 HydrophobicContact SD-CE2 3.63Å; L211-F224 HydrophobicContact CD2-CE2 3.56Å; L211-F224 HydrophobicContact CD2-CZ 3.94Å; L218-F224 HydrophobicContact CB-CD1 3.81Å; L218-F224 HydrophobicContact CB-CD2 4.3Å; L218-F224 HydrophobicContact CB-CE1 3.77Å; L218-F224 HydrophobicContact CB-CE2 4.27Å; L218-F224 HydrophobicContact CB-CG 4.08Å; L218-F224 HydrophobicContact CB-CZ 4.01Å; L218-F224 HydrophobicContact CD1-CE2 4.24Å; L218-F224 HydrophobicContact CD1-CZ 4.28Å; L218-F224 HydrophobicContact CD2-CD2 4.34Å; L218-F224 WeakPolarHBondContact O-CD1 3.49Å; M219-F224 HydrophobicContact CG-CE1 4.19Å; M219-F224 HydrophobicContact SD-CD1 4.25Å; M219-F224 HydrophobicContact SD-CE1 3.78Å; R221-F224 HydrophobicContact CB-CB 4.23Å; R221-F224 PolarHBondContact O-N 3.15Å; F224-S226 PolarHBondContact O-N 3.2Å; F224-Y227 PolarHBondContact O-N 2.7Å; F224-L228 HydrophobicContact CE1-CD2 3.89Å; F224-L228 HydrophobicContact CZ-CD1 4.44Å; F224-L228 HydrophobicContact CZ-CD2 4.36Å; F224-L228 WeakPolarHBondContact O-CB 3.33Å; F224-L228 PolarHBondContact O-N 2.97Å
225	L	95.1	Very high	94.7	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-23.8	174.5	-71.2	-174.4	0	0	0	113.6	M219 R221 D223 A256 W257 H260 R264	M219-L225 HydrophobicContact CE-CD2 3.98Å; M219-L225 WeakPolarHBondContact O-CD1 3.49Å; M219-L225 HydrophobicContact SD-CD2 3.83Å; R221-L225 WeakPolarHBondContact O-CB 3.43Å; R221-L225 VanDerWaalsContact O-CG 3.24Å; R221-L225 WeakPolarHBondContact O-CG 3.21Å; R221-L225 PolarHBondContact O-N 3.38Å; D223-L225 PolarHBondContact O-N 2.97Å; L225-A256 HydrophobicContact CD1-CB 4.12Å; L225-W257 HydrophobicContact CD2-CB 3.78Å; L225-W257 HydrophobicContact CD2-CG 4.32Å; L225-H260 HydrophobicContact CB-CB 4.31Å; L225-H260 HydrophobicContact CD1-CB 4.26Å; L225-H260 PolarHBondContact O-CD2 2.89Å; L225-R264 VanDerWaalsContact O-CZ 3.23Å; L225-R264 PolarHBondContact O-NH1 3.45Å; L225-R264 PolarHBondContact O-NH2 3.03Å
226	S	92.6	Very high	94.6	Very high	72 Å²	72	40 Å²	40	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-73.9	-42	173.9	-61.9	0	0	0	0	111.5	A222 D223 F224 H260 R264	A222-S226 WeakPolarHBondContact O-CB 3.36Å; A222-S226 PolarHBondContact O-N 2.85Å; A222-S226 VanDerWaalsContact O-N 3.16Å; A222-S226 PolarHBondContact O-OG 3.46Å; D223-S226 VanDerWaalsContact O-CB 3.32Å; D223-S226 WeakPolarHBondContact O-CB 3.47Å; D223-S226 PolarHBondContact O-N 3.42Å; F224-S226 PolarHBondContact O-N 3.2Å; S226-H260 PolarHBondContact OG-NE2 3.23Å; S226-R264 PolarHBondContact O-NH2 3.05Å
227	Y	89.6	Confident	94.6	Very high	71 Å²	71	38.7 Å²	38.7	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-77.1	-36.5	-176.6	-170.4	-105.9	0	0	0	113.7	M190 R191 E194 D223 F224 S229	M190-Y227 HydrophobicContact CB-CD1 4.25Å; M190-Y227 HydrophobicContact CB-CE1 3.68Å; M190-Y227 HydrophobicContact CE-CD1 4.01Å; M190-Y227 HydrophobicContact CE-CE1 4.15Å; M190-Y227 HydrophobicContact SD-CD1 4.45Å; R191-Y227 WeakPolarHBondContact CA-OH 3.42Å; R191-Y227 HydrophobicContact CB-CE2 3.87Å; R191-Y227 HydrophobicContact CG-CE2 4.02Å; E194-Y227 PolarHBondContact OE2-OH 2.7Å; D223-Y227 PolarHBondContact O-N 3.02Å; F224-Y227 PolarHBondContact O-N 2.7Å; Y227-S229 PolarHBondContact O-N 3.36Å
228	L	93.4	Very high	94.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.227	C	C	.	.			trans	-66.8	118.6	-171.9	-171.8	66.9	0	0	0	113.2	M219 F224 R232 L233 Y236 W257	M219-L228 HydrophobicContact CE-CD2 4.37Å; M219-L228 HydrophobicContact SD-CD2 3.47Å; M219-L228 WeakPolarHBondContact SD-CD2 3.24Å; F224-L228 HydrophobicContact CE1-CD2 3.89Å; F224-L228 HydrophobicContact CZ-CD1 4.44Å; F224-L228 HydrophobicContact CZ-CD2 4.36Å; F224-L228 WeakPolarHBondContact O-CB 3.33Å; F224-L228 PolarHBondContact O-N 2.97Å; L228-R232 HydrophobicContact CD1-CB 3.68Å; L228-L233 HydrophobicContact CD2-CB 3.94Å; L228-L233 HydrophobicContact CD2-CD1 3.74Å; L228-L233 HydrophobicContact CD2-CG 4.31Å; L228-L233 HydrophobicContact CG-CB 4.16Å; L228-Y236 HydrophobicContact CD1-CD2 4.22Å; L228-Y236 HydrophobicContact CD1-CE2 3.95Å; L228-W257 PolarHBondContact O-NE1 3.31Å
229	S	93.3	Very high	94.5	Very high	39 Å²	39	41.4 Å²	41.4	27%	0.273	24%	0.239	S	C	.	.			trans	-77.5	167.9	175.9	95.9	0	0	0	0	112.9	Y227 E231 R232 L233	Y227-S229 PolarHBondContact O-N 3.36Å; S229-E231 WeakPolarHBondContact CB-OE2 3.32Å; S229-E231 PolarHBondContact OG-N 3.25Å; S229-E231 PolarHBondContact OG-OE2 2.93Å; S229-R232 PolarHBondContact OG-N 2.97Å; S229-L233 WeakPolarHBondContact O-CB 3.12Å; S229-L233 PolarHBondContact O-N 3.5Å; S229-L233 VanDerWaalsContact O-N 3.1Å
230	L	95.6	Very high	94.5	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-45	175.6	172.2	64.9	0	0	0	110.9	R232 L233 Q234 W257 H267 I271	L230-R232 PolarHBondContact O-N 2.66Å; L230-L233 PolarHBondContact O-N 3.16Å; L230-Q234 HydrophobicContact CD1-CG 4.15Å; L230-Q234 HydrophobicContact CG-CG 4.49Å; L230-Q234 WeakPolarHBondContact O-CB 3.32Å; L230-Q234 WeakPolarHBondContact O-CG 3.24Å; L230-Q234 PolarHBondContact O-N 3.01Å; L230-W257 HydrophobicContact CB-CH2 3.99Å; L230-W257 HydrophobicContact CB-CZ2 4.22Å; L230-W257 HydrophobicContact CD1-CH2 3.87Å; L230-W257 HydrophobicContact CD1-CZ3 4.33Å; L230-H267 HydrophobicContact CD1-CB 4.04Å; L230-H267 HydrophobicContact CD2-CB 4.1Å; L230-I271 HydrophobicContact CD1-CB 4.3Å; L230-I271 HydrophobicContact CD1-CD1 4.06Å
231	E	94.9	Very high	94.4	Very high	119 Å²	119	39.4 Å²	39.4	56%	0.556	23%	0.225	S	C	*	.	H	α-helix	trans	-64.6	-42.1	-173.2	-55.3	69.3	-149.8	0	0	110.2	S229 Q234 A235	S229-E231 WeakPolarHBondContact CB-OE2 3.32Å; S229-E231 PolarHBondContact OG-N 3.25Å; S229-E231 PolarHBondContact OG-OE2 2.93Å; E231-Q234 PolarHBondContact O-N 2.99Å; E231-A235 WeakPolarHBondContact O-CB 3.49Å; E231-A235 PolarHBondContact O-N 3.29Å
232	R	92.8	Very high	94.4	Very high	33 Å²	33	36.3 Å²	36.3	13%	0.125	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-46.2	174.1	-66.4	-173.3	70.9	155.4	20.4	112.5	M190 E194 L228 S229 L230 Q234 A235 Y236	M190-R232 VanDerWaalsContact CE-CZ 3.49Å; E194-R232 IonicContact OE1-CZ 3.43Å; E194-R232 IonicContact OE1-NH1 2.79Å; E194-R232 PolarHBondContact OE1-NH1 3.44Å; E194-R232 IonicContact OE1-NH2 2.71Å; E194-R232 PolarHBondContact OE1-NH2 2.76Å; E194-R232 VanDerWaalsContact OE1-NH2 3.16Å; E194-R232 IonicContact OE2-CZ 2.62Å; E194-R232 IonicContact OE2-NH1 2.63Å; E194-R232 PolarHBondContact OE2-NH1 3.03Å; L228-R232 HydrophobicContact CD1-CB 3.68Å; S229-R232 PolarHBondContact OG-N 2.97Å; L230-R232 PolarHBondContact O-N 2.66Å; R232-Q234 VanDerWaalsContact C-N 3.25Å; R232-Q234 PolarHBondContact O-N 3.33Å; R232-A235 WeakPolarHBondContact O-CB 3.35Å; R232-A235 PolarHBondContact O-N 2.8Å; R232-A235 VanDerWaalsContact O-N 3.1Å; R232-Y236 HydrophobicContact CB-CE2 4.05Å; R232-Y236 PolarHBondContact NE-OH 3.44Å; R232-Y236 PolarHBondContact NH2-OH 2.92Å; R232-Y236 WeakPolarHBondContact O-CD2 3.12Å; R232-Y236 PolarHBondContact O-N 3.32Å
233	L	96.5	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-40.1	176.1	-178.5	63.6	0	0	0	111	F215 M219 L228 S229 L230 L237 V254 W257 I271	F215-L233 HydrophobicContact CE2-CD1 4.06Å; F215-L233 HydrophobicContact CZ-CD1 3.64Å; M219-L233 HydrophobicContact CE-CD1 3.52Å; M219-L233 HydrophobicContact CE-CD2 4.38Å; M219-L233 HydrophobicContact SD-CD1 3.97Å; L228-L233 HydrophobicContact CD2-CB 3.94Å; L228-L233 HydrophobicContact CD2-CD1 3.74Å; L228-L233 HydrophobicContact CD2-CG 4.31Å; L228-L233 HydrophobicContact CG-CB 4.16Å; S229-L233 WeakPolarHBondContact O-CB 3.12Å; S229-L233 PolarHBondContact O-N 3.5Å; S229-L233 VanDerWaalsContact O-N 3.1Å; L230-L233 PolarHBondContact O-N 3.16Å; L233-L237 HydrophobicContact CD1-CD1 3.97Å; L233-L237 HydrophobicContact CD1-CG 4.2Å; L233-L237 HydrophobicContact CG-CD1 3.86Å; L233-L237 HydrophobicContact CG-CG 4.46Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.29Å; L233-L237 PolarHBondContact O-N 3.33Å; L233-V254 HydrophobicContact CD2-CG2 4.5Å; L233-W257 HydrophobicContact CD2-CB 4.11Å; L233-W257 HydrophobicContact CD2-CD2 3.45Å; L233-W257 VanDerWaalsContact CD2-CD2 3.45Å; L233-W257 HydrophobicContact CD2-CE3 3.67Å; L233-W257 HydrophobicContact CD2-CG 3.66Å; L233-W257 HydrophobicContact CD2-CZ2 4.46Å; L233-W257 HydrophobicContact CD2-CZ3 4.26Å; L233-I271 HydrophobicContact CB-CD1 4.47Å; L233-I271 HydrophobicContact CD2-CD1 3.95Å; L233-I271 HydrophobicContact CD2-CG1 3.99Å; L233-I271 HydrophobicContact CG-CD1 3.95Å; L233-I271 HydrophobicContact CG-CG1 4.46Å
234	Q	96.6	Very high	94.4	Very high	45 Å²	45	36 Å²	36	21%	0.21	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-46.5	171.9	-74.5	-171.6	-63.9	0	0	111.8	L230 E231 R232 Y236 L237 N238 T270 I271	L230-Q234 HydrophobicContact CD1-CG 4.15Å; L230-Q234 HydrophobicContact CG-CG 4.49Å; L230-Q234 WeakPolarHBondContact O-CB 3.32Å; L230-Q234 WeakPolarHBondContact O-CG 3.24Å; L230-Q234 PolarHBondContact O-N 3.01Å; E231-Q234 PolarHBondContact O-N 2.99Å; R232-Q234 VanDerWaalsContact C-N 3.25Å; R232-Q234 PolarHBondContact O-N 3.33Å; Q234-Y236 VanDerWaalsContact C-N 3.34Å; Q234-Y236 PolarHBondContact O-N 3.38Å; Q234-L237 PolarHBondContact O-N 3.49Å; Q234-N238 VanDerWaalsContact O-CB 3.24Å; Q234-N238 WeakPolarHBondContact O-CB 3.26Å; Q234-N238 PolarHBondContact O-N 2.72Å; Q234-N238 PolarHBondContact O-ND2 3.18Å; Q234-N238 PolarHBondContact O-OD1 3.01Å; Q234-T270 PolarHBondContact NE2-O 3.22Å; Q234-I271 HydrophobicContact CB-CD1 4.45Å; Q234-I271 HydrophobicContact CG-CD1 3.41Å; Q234-I271 VanDerWaalsContact CG-CD1 3.41Å
235	A	94.8	Very high	94.3	Very high	56 Å²	56	36.9 Å²	36.9	46%	0.463	20%	0.199	S	C	.	.	H	α-helix	trans	-55.4	-47.4	177.3	0	0	0	0	0	112.1	E231 R232 N238 S239	E231-A235 WeakPolarHBondContact O-CB 3.49Å; E231-A235 PolarHBondContact O-N 3.29Å; R232-A235 WeakPolarHBondContact O-CB 3.35Å; R232-A235 PolarHBondContact O-N 2.8Å; R232-A235 VanDerWaalsContact O-N 3.1Å; A235-N238 PolarHBondContact O-N 3.49Å; A235-S239 PolarHBondContact O-N 2.95Å
236	Y	95.8	Very high	94.3	Very high	7 Å²	7	38 Å²	38	3%	0.027	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-48.7	177.2	-59	-43.3	0	0	0	112.2	D208 L211 L212 F215 L228 R232 Q234 N238 S239 L242	D208-Y236 HydrophobicContact CB-CE1 4.36Å; D208-Y236 VanDerWaalsContact CG-CE1 3.49Å; D208-Y236 VanDerWaalsContact OD1-CE1 3.27Å; D208-Y236 WeakPolarHBondContact OD1-CE1 3.49Å; D208-Y236 PolarHBondContact OD1-OH 2.95Å; L211-Y236 HydrophobicContact CD1-CE1 4.44Å; L211-Y236 HydrophobicContact CD1-CE2 4.3Å; L211-Y236 VanDerWaalsContact CD1-OH 3.25Å; L211-Y236 WeakPolarHBondContact CD1-OH 3.44Å; L212-Y236 HydrophobicContact CD2-CD1 4.06Å; L212-Y236 HydrophobicContact CG-CD1 4.39Å; F215-Y236 HydrophobicContact CE2-CD2 4.44Å; F215-Y236 HydrophobicContact CE2-CG 4.48Å; L228-Y236 HydrophobicContact CD1-CD2 4.22Å; L228-Y236 HydrophobicContact CD1-CE2 3.95Å; R232-Y236 HydrophobicContact CB-CE2 4.05Å; R232-Y236 PolarHBondContact NE-OH 3.44Å; R232-Y236 PolarHBondContact NH2-OH 2.92Å; R232-Y236 WeakPolarHBondContact O-CD2 3.12Å; R232-Y236 PolarHBondContact O-N 3.32Å; Q234-Y236 VanDerWaalsContact C-N 3.34Å; Q234-Y236 PolarHBondContact O-N 3.38Å; Y236-N238 PolarHBondContact O-N 3.25Å; Y236-S239 VanDerWaalsContact O-CB 3.25Å; Y236-S239 WeakPolarHBondContact O-CB 3.41Å; Y236-S239 PolarHBondContact O-N 3.47Å; Y236-L242 WeakPolarHBondContact O-CD1 3.49Å
237	L	96.9	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-19.7	176.7	-66.2	171.7	0	0	0	113.6	F215 L233 Q234 S239 L242 L250 V254 I271 I275 R329	F215-L237 HydrophobicContact CE1-CD2 3.98Å; F215-L237 HydrophobicContact CZ-CD2 3.84Å; F215-L237 HydrophobicContact CZ-CG 4.24Å; L233-L237 HydrophobicContact CD1-CD1 3.97Å; L233-L237 HydrophobicContact CD1-CG 4.2Å; L233-L237 HydrophobicContact CG-CD1 3.86Å; L233-L237 HydrophobicContact CG-CG 4.46Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.29Å; L233-L237 PolarHBondContact O-N 3.33Å; Q234-L237 PolarHBondContact O-N 3.49Å; L237-S239 VanDerWaalsContact C-N 3.34Å; L237-L242 HydrophobicContact CD2-CD1 4.17Å; L237-L250 HydrophobicContact CD2-CB 4.16Å; L237-V254 HydrophobicContact CD1-CG2 3.35Å; L237-V254 HydrophobicContact CD2-CG2 4.36Å; L237-V254 HydrophobicContact CG-CG2 4.47Å; L237-I271 HydrophobicContact CD1-CD1 3.74Å; L237-I271 HydrophobicContact CD1-CG1 4.09Å; L237-I275 HydrophobicContact CD1-CD1 4.29Å; L237-I275 HydrophobicContact CD2-CD1 3.93Å; L237-R329 PolarHBondContact O-NH1 3.43Å; L237-R329 PolarHBondContact O-NH2 3.09Å; L237-R329 VanDerWaalsContact O-NH2 3.12Å
238	N	95.4	Very high	94.8	Very high	75 Å²	75	32 Å²	32	40%	0.401	17%	0.174	S	C	.	.	H	α-helix	trans	-75.9	-24	172.3	-65.2	-7.4	0	0	0	112.2	Q234 A235 Y236 S274 R324	Q234-N238 VanDerWaalsContact O-CB 3.24Å; Q234-N238 WeakPolarHBondContact O-CB 3.26Å; Q234-N238 PolarHBondContact O-N 2.72Å; Q234-N238 PolarHBondContact O-ND2 3.18Å; Q234-N238 PolarHBondContact O-OD1 3.01Å; A235-N238 PolarHBondContact O-N 3.49Å; Y236-N238 PolarHBondContact O-N 3.25Å; N238-S274 WeakPolarHBondContact OD1-CB 3.17Å; N238-S274 PolarHBondContact OD1-OG 3.25Å; N238-R324 PolarHBondContact OD1-NH2 3.2Å
239	S	95.3	Very high	95	Very high	37 Å²	37	35.2 Å²	35.2	26%	0.259	19%	0.189	S	C	.	.			trans	-68.4	142	-175.5	-170.1	0	0	0	0	113.6	A235 Y236 L237 A241 R329	A235-S239 PolarHBondContact O-N 2.95Å; Y236-S239 VanDerWaalsContact O-CB 3.25Å; Y236-S239 WeakPolarHBondContact O-CB 3.41Å; Y236-S239 PolarHBondContact O-N 3.47Å; L237-S239 VanDerWaalsContact C-N 3.34Å; S239-A241 WeakPolarHBondContact OG-CB 3.17Å; S239-A241 PolarHBondContact OG-N 3.25Å; S239-A241 VanDerWaalsContact OG-N 3.12Å; S239-R329 PolarHBondContact O-NH1 3.2Å
240	D	94.9	Very high	95.2	Very high	27 Å²	27	33.4 Å²	33.4	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.2	168	-81.7	-34.2	0	0	0	112.7	R276 R327 R329 S330 V331	D240-R276 IonicContact OD1-CZ 3.06Å; D240-R276 IonicContact OD1-NH1 3.16Å; D240-R276 PolarHBondContact OD1-NH1 2.89Å; D240-R276 IonicContact OD1-NH2 2.73Å; D240-R276 PolarHBondContact OD1-NH2 2.9Å; D240-R327 IonicContact OD2-CZ 3.94Å; D240-R327 IonicContact OD2-NE 2.63Å; D240-R327 PolarHBondContact OD2-NE 2.99Å; D240-R327 IonicContact OD2-NH2 3.73Å; D240-R327 PolarHBondContact OD2-NH2 2.96Å; D240-R329 CarbonylContact O-C 3.52Å; D240-S330 PolarHBondContact O-N 3.38Å; D240-V331 HydrophobicContact CB-CG2 4.26Å
241	A	94.2	Very high	95.3	Very high	29 Å²	29	33 Å²	33	24%	0.24	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.6	179.1	0	0	0	0	0	114.4	L212 S239 S243 V331	L212-A241 HydrophobicContact CD1-CB 4.1Å; S239-A241 WeakPolarHBondContact OG-CB 3.17Å; S239-A241 PolarHBondContact OG-N 3.25Å; S239-A241 VanDerWaalsContact OG-N 3.12Å; A241-S243 PolarHBondContact O-N 3.24Å; A241-S243 PolarHBondContact O-OG 3.09Å; A241-V331 HydrophobicContact CB-CG2 3.85Å
242	L	95.5	Very high	95.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-74.4	29.5	164.4	-65.8	177	0	0	0	111.8	L212 F215 Y236 L237 R244 Y245 L250 R329	L212-L242 HydrophobicContact CB-CD2 4.42Å; L212-L242 HydrophobicContact CD2-CD2 3.68Å; L212-L242 HydrophobicContact CD2-CG 3.8Å; F215-L242 HydrophobicContact CB-CD2 3.58Å; F215-L242 HydrophobicContact CD1-CD1 4.39Å; F215-L242 HydrophobicContact CD1-CD2 4.13Å; F215-L242 HydrophobicContact CD2-CD2 4.2Å; F215-L242 HydrophobicContact CE1-CD1 4.44Å; F215-L242 HydrophobicContact CG-CD2 3.72Å; Y236-L242 WeakPolarHBondContact O-CD1 3.49Å; L237-L242 HydrophobicContact CD2-CD1 4.17Å; L242-R244 PolarHBondContact O-N 3.41Å; L242-Y245 HydrophobicContact CD2-CD2 4.13Å; L242-Y245 HydrophobicContact CD2-CE2 4.39Å; L242-Y245 PolarHBondContact O-N 2.96Å; L242-L250 HydrophobicContact CB-CD1 4.06Å; L242-L250 HydrophobicContact CB-CD2 4.46Å; L242-L250 HydrophobicContact CD1-CD1 4.12Å; L242-L250 HydrophobicContact CD1-CD2 4.01Å; L242-R329 WeakPolarHBondContact O-CD 3.4Å
243	S	92	Very high	95.7	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.084	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61	-27.7	-178.5	39.1	0	0	0	0	113.2	A241 Y245 R329 E658 Y659	A241-S243 PolarHBondContact O-N 3.24Å; A241-S243 PolarHBondContact O-OG 3.09Å; S243-Y245 VanDerWaalsContact C-N 3.35Å; S243-R329 VanDerWaalsContact CB-O 3.25Å; S243-R329 WeakPolarHBondContact CB-O 3.45Å; S243-E658 WeakPolarHBondContact O-CB 3.44Å; S243-E658 PolarHBondContact O-N 2.86Å; S243-E658 PolarHBondContact OG-OE2 3.19Å; S243-Y659 PolarHBondContact O-N 3.48Å
244	R	92.1	Very high	95.7	Very high	109 Å²	109	29.4 Å²	29.4	41%	0.411	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-74.8	-18.3	-177.3	-170.8	171.7	178.7	-150.3	-1.5	114.5	L242 E658 Y659 E662	L242-R244 PolarHBondContact O-N 3.41Å; R244-E658 HydrophobicContact CB-CG 4.4Å; R244-Y659 WeakPolarHBondContact O-CB 3.4Å; R244-E662 IonicContact CZ-OE1 3.39Å; R244-E662 IonicContact NE-OE1 3.52Å; R244-E662 PolarHBondContact NE-OE1 3.1Å; R244-E662 IonicContact NH2-OE1 2.74Å
245	Y	94.3	Very high	95.7	Very high	19 Å²	19	27.9 Å²	27.9	8%	0.075	15%	0.152	C	C	.	.	S	Bend	trans	-105.9	129.6	-177.3	-62.4	-65.3	0	0	0	111.4	L212 D213 N214 F215 V216 P217 L242 S243 L250	L212-Y245 WeakPolarHBondContact O-CE2 3.29Å; D213-Y245 PolarHBondContact O-OH 3.18Å; D213-Y245 VanDerWaalsContact O-OH 3.11Å; N214-Y245 WeakPolarHBondContact CA-OH 3.18Å; F215-Y245 HydrophobicContact CB-CD2 4.31Å; F215-Y245 HydrophobicContact CB-CE2 3.75Å; F215-Y245 PolarHBondContact N-OH 2.75Å; V216-Y245 HydrophobicContact CB-CD1 3.87Å; V216-Y245 HydrophobicContact CB-CE1 3.68Å; V216-Y245 HydrophobicContact CB-CG 4.46Å; V216-Y245 HydrophobicContact CG2-CD1 3.42Å; V216-Y245 VanDerWaalsContact CG2-CD1 3.42Å; V216-Y245 HydrophobicContact CG2-CD2 4.04Å; V216-Y245 HydrophobicContact CG2-CE1 3.73Å; V216-Y245 HydrophobicContact CG2-CE2 4.29Å; V216-Y245 HydrophobicContact CG2-CG 3.59Å; P217-Y245 WeakPolarHBondContact CD-OH 3.32Å; L242-Y245 HydrophobicContact CD2-CD2 4.13Å; L242-Y245 HydrophobicContact CD2-CE2 4.39Å; L242-Y245 PolarHBondContact O-N 2.96Å; S243-Y245 VanDerWaalsContact C-N 3.35Å; Y245-L250 HydrophobicContact CD2-CD2 4.14Å; Y245-L250 HydrophobicContact CG-CD2 4.17Å
246	P	94.9	Very high	95.8	Very high	35 Å²	35	26.8 Å²	26.8	23%	0.227	14%	0.143	C	C	.	.			trans	-54.2	138.6	164.4	-24.4	34.5	0	0	0	110.6	I248 E249 L250 Y659	P246-I248 HydrophobicContact CB-CG2 4.08Å; P246-I248 PolarHBondContact O-N 2.82Å; P246-E249 WeakPolarHBondContact O-CB 3.3Å; P246-E249 PolarHBondContact O-N 3.18Å; P246-L250 PolarHBondContact O-N 3.05Å; P246-Y659 HydrophobicContact CG-CD1 4.28Å; P246-Y659 HydrophobicContact CG-CD2 4.24Å; P246-Y659 HydrophobicContact CG-CG 3.97Å
247	E	95.8	Very high	95.9	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-25.7	-173.5	-163.7	72.7	-154.4	0	0	113.1	L250 Y251 I275 R276 L279 M280 R329	E247-L250 PolarHBondContact O-N 3.03Å; E247-Y251 PolarHBondContact O-N 3.13Å; E247-I275 HydrophobicContact CG-CG2 3.93Å; E247-I275 WeakPolarHBondContact OE1-CA 3.37Å; E247-R276 VanDerWaalsContact CD-N 3.28Å; E247-R276 HydrophobicContact CG-CB 4.13Å; E247-R276 PolarHBondContact OE1-N 2.81Å; E247-L279 HydrophobicContact CB-CB 4.19Å; E247-M280 HydrophobicContact CB-CE 4.34Å; E247-M280 HydrophobicContact CB-CG 3.97Å; E247-M280 HydrophobicContact CG-CE 3.93Å; E247-M280 HydrophobicContact CG-CG 4.33Å; E247-R329 IonicContact OE1-CZ 3.82Å; E247-R329 IonicContact OE1-NE 2.71Å; E247-R329 IonicContact OE1-NH2 2.86Å; E247-R329 PolarHBondContact OE1-NH2 3.11Å; E247-R329 IonicContact OE2-CZ 3.46Å; E247-R329 IonicContact OE2-NE 2.85Å; E247-R329 PolarHBondContact OE2-NE 2.84Å; E247-R329 IonicContact OE2-NH2 3.89Å; E247-R329 PolarHBondContact OE2-NH2 3.23Å
248	I	96.3	Very high	95.9	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.062	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-36.1	175.2	-173.6	57.2	0	0	0	112.9	P246 Y251 E252 M280 D284 K288 V289	P246-I248 HydrophobicContact CB-CG2 4.08Å; P246-I248 PolarHBondContact O-N 2.82Å; I248-Y251 HydrophobicContact CD1-CD1 4.09Å; I248-Y251 PolarHBondContact O-N 2.9Å; I248-E252 WeakPolarHBondContact O-CG 3.45Å; I248-E252 PolarHBondContact O-N 3.12Å; I248-M280 HydrophobicContact CB-CG 4.49Å; I248-M280 HydrophobicContact CD1-SD 4.21Å; I248-D284 HydrophobicContact CB-CB 4.24Å; I248-D284 HydrophobicContact CD1-CB 4.03Å; I248-D284 HydrophobicContact CG1-CB 3.93Å; I248-K288 HydrophobicContact CD1-CB 3.93Å; I248-K288 HydrophobicContact CD1-CD 3.71Å; I248-K288 HydrophobicContact CG1-CD 3.49Å; I248-K288 VanDerWaalsContact CG1-CD 3.49Å; I248-V289 HydrophobicContact CD1-CG2 4.16Å
249	E	97.1	Very high	96	Very high	69 Å²	69	28.5 Å²	28.5	32%	0.322	14%	0.144	S	C	.	.	H	α-helix	trans	-69.6	-36.8	175.2	-63.5	-179.2	-160.4	0	0	111.1	V216 P246 Y251 E252 A253	V216-E249 HydrophobicContact CG1-CB 4.35Å; V216-E249 HydrophobicContact CG2-CB 3.97Å; P246-E249 WeakPolarHBondContact O-CB 3.3Å; P246-E249 PolarHBondContact O-N 3.18Å; E249-Y251 VanDerWaalsContact C-N 3.3Å; E249-Y251 PolarHBondContact O-N 3.24Å; E249-E252 PolarHBondContact O-N 2.84Å; E249-A253 WeakPolarHBondContact O-CB 3.2Å; E249-A253 PolarHBondContact O-N 3.29Å
250	L	97.7	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-36.9	173.4	-58.9	-177.3	0	0	0	111.6	F215 V216 L237 L242 Y245 P246 E247 V254 I275 R329	F215-L250 HydrophobicContact CD1-CD2 3.57Å; F215-L250 HydrophobicContact CE1-CD2 3.72Å; V216-L250 HydrophobicContact CG2-CD2 4.13Å; L237-L250 HydrophobicContact CD2-CB 4.16Å; L242-L250 HydrophobicContact CB-CD1 4.06Å; L242-L250 HydrophobicContact CB-CD2 4.46Å; L242-L250 HydrophobicContact CD1-CD1 4.12Å; L242-L250 HydrophobicContact CD1-CD2 4.01Å; Y245-L250 HydrophobicContact CD2-CD2 4.14Å; Y245-L250 HydrophobicContact CG-CD2 4.17Å; P246-L250 PolarHBondContact O-N 3.05Å; E247-L250 PolarHBondContact O-N 3.03Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.28Å; L250-I275 HydrophobicContact CB-CD1 4.06Å; L250-R329 VanDerWaalsContact CD1-NE 3.35Å
251	Y	97.8	Very high	96.1	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-70	-41.5	173.4	176.9	-104.5	0	0	0	112.6	E247 I248 E249 A253 V254 Q255 I275 F277 M280 V289 L301	E247-Y251 PolarHBondContact O-N 3.13Å; I248-Y251 HydrophobicContact CD1-CD1 4.09Å; I248-Y251 PolarHBondContact O-N 2.9Å; E249-Y251 VanDerWaalsContact C-N 3.3Å; E249-Y251 PolarHBondContact O-N 3.24Å; Y251-A253 VanDerWaalsContact C-N 3.34Å; Y251-A253 PolarHBondContact O-N 2.83Å; Y251-V254 WeakPolarHBondContact O-CB 3.22Å; Y251-V254 PolarHBondContact O-N 3.31Å; Y251-Q255 HydrophobicContact CD1-CG 4.47Å; Y251-Q255 HydrophobicContact CE1-CG 4.02Å; Y251-Q255 VanDerWaalsContact CZ-NE2 3.34Å; Y251-Q255 WeakPolarHBondContact O-CG 3.24Å; Y251-Q255 PolarHBondContact O-N 3.24Å; Y251-Q255 PolarHBondContact OH-NE2 3.3Å; Y251-Q255 VanDerWaalsContact OH-NE2 3.11Å; Y251-I275 HydrophobicContact CD2-CG1 4.5Å; Y251-I275 HydrophobicContact CD2-CG2 4.41Å; Y251-F277 AromaticContact CD2-CE1 4Å; Y251-F277 HydrophobicContact CD2-CE1 4Å; Y251-F277 HydrophobicContact CD2-CZ 4.04Å; Y251-F277 HydrophobicContact CE2-CE1 4.24Å; Y251-F277 HydrophobicContact CE2-CZ 4.24Å; Y251-F277 HydrophobicContact CG-CE1 4.48Å; Y251-M280 HydrophobicContact CG-CE 4.17Å; Y251-V289 HydrophobicContact CD1-CG2 3.88Å; Y251-V289 HydrophobicContact CE1-CB 4.09Å; Y251-V289 HydrophobicContact CE1-CG1 4.01Å; Y251-V289 HydrophobicContact CE1-CG2 3.74Å; Y251-V289 HydrophobicContact CE2-CG1 4.44Å; Y251-L301 HydrophobicContact CE2-CD1 4.08Å; Y251-L301 HydrophobicContact CE2-CD2 4.3Å
252	E	97.6	Very high	96	Very high	71 Å²	71	39 Å²	39	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-62.4	-39.6	174.1	-74.3	174.4	161.3	0	0	111.8	I248 E249 Q255 A256 K288	I248-E252 WeakPolarHBondContact O-CG 3.45Å; I248-E252 PolarHBondContact O-N 3.12Å; E249-E252 PolarHBondContact O-N 2.84Å; E252-Q255 WeakPolarHBondContact O-CB 3.32Å; E252-Q255 PolarHBondContact O-N 2.91Å; E252-A256 PolarHBondContact O-N 3.16Å; E252-K288 VanDerWaalsContact OE1-CD 3.23Å; E252-K288 WeakPolarHBondContact OE1-CD 3.25Å; E252-K288 WeakPolarHBondContact OE1-CE 3.43Å; E252-K288 IonicContact OE1-NZ 3.49Å; E252-K288 PolarHBondContact OE1-NZ 3.5Å; E252-K288 IonicContact OE2-NZ 3.63Å; E252-K288 PolarHBondContact OE2-NZ 3.15Å
253	A	97.9	Very high	96	Very high	6 Å²	6	48 Å²	48	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-45.5	170.8	0	0	0	0	0	112.2	F215 M219 E249 Y251 Q255 A256 W257	F215-A253 HydrophobicContact CE1-CB 4.14Å; M219-A253 HydrophobicContact CB-CB 3.65Å; M219-A253 HydrophobicContact CE-CB 3.96Å; M219-A253 WeakPolarHBondContact CE-O 3.28Å; M219-A253 HydrophobicContact CG-CB 3.97Å; E249-A253 WeakPolarHBondContact O-CB 3.2Å; E249-A253 PolarHBondContact O-N 3.29Å; Y251-A253 VanDerWaalsContact C-N 3.34Å; Y251-A253 PolarHBondContact O-N 2.83Å; A253-Q255 VanDerWaalsContact C-N 3.32Å; A253-Q255 PolarHBondContact O-N 3.23Å; A253-A256 WeakPolarHBondContact O-CB 3.38Å; A253-A256 PolarHBondContact O-N 3.13Å; A253-A256 VanDerWaalsContact O-N 3.13Å; A253-W257 PolarHBondContact O-N 3.47Å
254	V	97.7	Very high	96.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-41.6	172.8	166.3	0	0	0	0	111.6	L233 L237 L250 Y251 A256 W257 L258 I271 I275	L233-V254 HydrophobicContact CD2-CG2 4.5Å; L237-V254 HydrophobicContact CD1-CG2 3.35Å; L237-V254 HydrophobicContact CD2-CG2 4.36Å; L237-V254 HydrophobicContact CG-CG2 4.47Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.28Å; Y251-V254 WeakPolarHBondContact O-CB 3.22Å; Y251-V254 PolarHBondContact O-N 3.31Å; V254-A256 VanDerWaalsContact C-N 3.33Å; V254-A256 PolarHBondContact O-N 2.95Å; V254-W257 PolarHBondContact O-N 3.5Å; V254-L258 HydrophobicContact CG1-CD1 3.92Å; V254-L258 HydrophobicContact CG1-CG 4.36Å; V254-L258 WeakPolarHBondContact O-CB 3.46Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 2.88Å; V254-I271 HydrophobicContact CG1-CG1 3.97Å; V254-I271 HydrophobicContact CG1-CG2 3.7Å; V254-I271 HydrophobicContact CG2-CG1 4.14Å; V254-I275 HydrophobicContact CG2-CD1 4.07Å; V254-I275 HydrophobicContact CG2-CG1 4.45Å
255	Q	96.6	Very high	96.3	Very high	14 Å²	14	47 Å²	47	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-39.4	174.6	-66.5	-171.8	-8.3	0	0	112.1	Y251 E252 A253 L258 R259 S292 F294	Y251-Q255 HydrophobicContact CD1-CG 4.47Å; Y251-Q255 HydrophobicContact CE1-CG 4.02Å; Y251-Q255 VanDerWaalsContact CZ-NE2 3.34Å; Y251-Q255 WeakPolarHBondContact O-CG 3.24Å; Y251-Q255 PolarHBondContact O-N 3.24Å; Y251-Q255 PolarHBondContact OH-NE2 3.3Å; Y251-Q255 VanDerWaalsContact OH-NE2 3.11Å; E252-Q255 WeakPolarHBondContact O-CB 3.32Å; E252-Q255 PolarHBondContact O-N 2.91Å; A253-Q255 VanDerWaalsContact C-N 3.32Å; A253-Q255 PolarHBondContact O-N 3.23Å; Q255-L258 PolarHBondContact O-N 3.48Å; Q255-R259 WeakPolarHBondContact O-CB 3.42Å; Q255-R259 VanDerWaalsContact O-CG 3.24Å; Q255-R259 WeakPolarHBondContact O-CG 3.33Å; Q255-R259 PolarHBondContact O-N 3Å; Q255-R259 VanDerWaalsContact OE1-CZ 3.22Å; Q255-S292 PolarHBondContact NE2-OG 3.06Å; Q255-F294 HydrophobicContact CB-CD2 4.43Å; Q255-F294 HydrophobicContact CB-CE2 4.07Å; Q255-F294 HydrophobicContact CG-CD2 3.99Å; Q255-F294 HydrophobicContact CG-CE2 4.14Å
256	A	97.1	Very high	96.3	Very high	32 Å²	32	54.7 Å²	54.7	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-47.5	176.2	0	0	0	0	0	111.5	L225 E252 A253 V254 L258 R259 H260	L225-A256 HydrophobicContact CD1-CB 4.12Å; E252-A256 PolarHBondContact O-N 3.16Å; A253-A256 WeakPolarHBondContact O-CB 3.38Å; A253-A256 PolarHBondContact O-N 3.13Å; A253-A256 VanDerWaalsContact O-N 3.13Å; V254-A256 VanDerWaalsContact C-N 3.33Å; V254-A256 PolarHBondContact O-N 2.95Å; A256-L258 VanDerWaalsContact C-N 3.34Å; A256-L258 PolarHBondContact O-N 3.44Å; A256-R259 PolarHBondContact O-N 3.08Å; A256-H260 PolarHBondContact O-N 2.93Å
257	W	97.8	Very high	96.3	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.011	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-36.9	176.5	-179.1	92.2	0	0	0	113.6	M219 L225 L228 L230 L233 A253 V254 R264	M219-W257 HydrophobicContact CE-CB 3.74Å; M219-W257 HydrophobicContact CE-CG 4.46Å; L225-W257 HydrophobicContact CD2-CB 3.78Å; L225-W257 HydrophobicContact CD2-CG 4.32Å; L228-W257 PolarHBondContact O-NE1 3.31Å; L230-W257 HydrophobicContact CB-CH2 3.99Å; L230-W257 HydrophobicContact CB-CZ2 4.22Å; L230-W257 HydrophobicContact CD1-CH2 3.87Å; L230-W257 HydrophobicContact CD1-CZ3 4.33Å; L233-W257 HydrophobicContact CD2-CB 4.11Å; L233-W257 HydrophobicContact CD2-CD2 3.45Å; L233-W257 VanDerWaalsContact CD2-CD2 3.45Å; L233-W257 HydrophobicContact CD2-CE3 3.67Å; L233-W257 HydrophobicContact CD2-CG 3.66Å; L233-W257 HydrophobicContact CD2-CZ2 4.46Å; L233-W257 HydrophobicContact CD2-CZ3 4.26Å; A253-W257 PolarHBondContact O-N 3.47Å; V254-W257 PolarHBondContact O-N 3.5Å; W257-R264 VanDerWaalsContact CD1-NH1 3.27Å; W257-R264 HydrophobicContact CE3-CB 4.35Å; W257-R264 HydrophobicContact CH2-CB 4.09Å; W257-R264 HydrophobicContact CH2-CG 4.01Å; W257-R264 HydrophobicContact CZ2-CG 4.19Å; W257-R264 HydrophobicContact CZ3-CB 3.9Å; W257-R264 HydrophobicContact CZ3-CG 4.25Å; W257-R264 WeakPolarHBondContact O-CD 3.37Å; W257-R264 PolarHBondContact O-NH1 3.21Å
258	L	96.8	Very high	96.3	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-71.3	-34.5	174.1	-71.9	172.2	0	0	0	112.9	V254 Q255 A256 R264 W265 T268 I271 F294	V254-L258 HydrophobicContact CG1-CD1 3.92Å; V254-L258 HydrophobicContact CG1-CG 4.36Å; V254-L258 WeakPolarHBondContact O-CB 3.46Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 2.88Å; Q255-L258 PolarHBondContact O-N 3.48Å; A256-L258 VanDerWaalsContact C-N 3.34Å; A256-L258 PolarHBondContact O-N 3.44Å; L258-R264 HydrophobicContact CD2-CB 4.18Å; L258-R264 VanDerWaalsContact CD2-O 3.32Å; L258-R264 WeakPolarHBondContact CD2-O 3.43Å; L258-W265 PolarHBondContact O-NE1 2.96Å; L258-T268 HydrophobicContact CD1-CG2 4.22Å; L258-I271 HydrophobicContact CD1-CG2 4.24Å; L258-I271 HydrophobicContact CD2-CG2 4.41Å; L258-F294 HydrophobicContact CB-CE1 3.73Å; L258-F294 HydrophobicContact CB-CE2 4.11Å; L258-F294 HydrophobicContact CB-CZ 3.44Å; L258-F294 VanDerWaalsContact CB-CZ 3.44Å; L258-F294 HydrophobicContact CD1-CD1 4.07Å; L258-F294 HydrophobicContact CD1-CD2 4.42Å; L258-F294 HydrophobicContact CD1-CE1 3.99Å; L258-F294 HydrophobicContact CD1-CE2 4.35Å; L258-F294 HydrophobicContact CD1-CG 4.3Å; L258-F294 HydrophobicContact CD1-CZ 4.14Å; L258-F294 HydrophobicContact CG-CE1 4.41Å; L258-F294 HydrophobicContact CG-CZ 4.43Å
259	R	96.2	Very high	96.3	Very high	112 Å²	112	58.9 Å²	58.9	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-72.3	-30.7	177	-75	172.7	-175.5	128.6	8.7	112.5	Q255 A256 D261 E293 F294	Q255-R259 WeakPolarHBondContact O-CB 3.42Å; Q255-R259 VanDerWaalsContact O-CG 3.24Å; Q255-R259 WeakPolarHBondContact O-CG 3.33Å; Q255-R259 PolarHBondContact O-N 3Å; Q255-R259 VanDerWaalsContact OE1-CZ 3.22Å; A256-R259 PolarHBondContact O-N 3.08Å; R259-D261 PolarHBondContact O-N 2.77Å; R259-E293 IonicContact CZ-OE1 3.9Å; R259-E293 IonicContact CZ-OE2 3.21Å; R259-E293 IonicContact NE-OE1 3.2Å; R259-E293 PolarHBondContact NE-OE1 3.37Å; R259-E293 IonicContact NE-OE2 3.56Å; R259-E293 VanDerWaalsContact NH2-CD 3.32Å; R259-E293 IonicContact NH2-OE1 3.62Å; R259-E293 PolarHBondContact NH2-OE1 3.08Å; R259-E293 VanDerWaalsContact NH2-OE1 3.08Å; R259-E293 IonicContact NH2-OE2 3.77Å; R259-E293 PolarHBondContact NH2-OE2 2.69Å; R259-F294 HydrophobicContact CG-CE2 4.15Å; R259-F294 HydrophobicContact CG-CZ 4.01Å
260	H	96.8	Very high	96.2	Very high	73 Å²	73	58.5 Å²	58.5	34%	0.338	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-38.3	-177.6	-168.3	74.5	0	0	0	114.4	A222 L225 S226 A256	A222-H260 PolarHBondContact O-CE1 3.18Å; A222-H260 PolarHBondContact O-NE2 2.88Å; L225-H260 HydrophobicContact CB-CB 4.31Å; L225-H260 HydrophobicContact CD1-CB 4.26Å; L225-H260 PolarHBondContact O-CD2 2.89Å; S226-H260 PolarHBondContact OG-NE2 3.23Å; A256-H260 PolarHBondContact O-N 2.93Å
261	D	95.3	Very high	96.1	Very high	56 Å²	56	58.5 Å²	58.5	30%	0.299	26%	0.255	S	S	.	.			trans	-135.9	119.9	171.1	172	15.3	0	0	0	110.9	R259 R263 R264	R259-D261 PolarHBondContact O-N 2.77Å; D261-R263 PolarHBondContact O-N 3.21Å; D261-R263 VanDerWaalsContact O-N 3.08Å; D261-R263 WeakPolarHBondContact OD1-CB 3.48Å; D261-R263 WeakPolarHBondContact OD1-CG 3.19Å; D261-R263 PolarHBondContact OD1-N 2.91Å; D261-R263 WeakPolarHBondContact OD2-CB 3.42Å; D261-R264 HydrophobicContact CB-CG 4.02Å; D261-R264 VanDerWaalsContact O-CB 3.26Å; D261-R264 WeakPolarHBondContact O-CB 3.24Å; D261-R264 PolarHBondContact O-N 3.35Å
262	R	93.3	Very high	96	Very high	184 Å²	184	58.4 Å²	58.4	69%	0.694	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-56.1	-25.3	177.8	-65	-175.3	62.4	74.1	4.4	113.6	R264 W265	R262-R264 PolarHBondContact O-N 3.37Å; R262-W265 WeakPolarHBondContact O-CB 3.41Å; R262-W265 PolarHBondContact O-N 2.99Å
263	R	95	Very high	95.9	Very high	191 Å²	191	59.3 Å²	59.3	72%	0.721	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-67.1	-26.1	175.4	-59	167.2	171.5	175.8	-1.8	112.1	D261 W265 R266	D261-R263 PolarHBondContact O-N 3.21Å; D261-R263 VanDerWaalsContact O-N 3.08Å; D261-R263 WeakPolarHBondContact OD1-CB 3.48Å; D261-R263 WeakPolarHBondContact OD1-CG 3.19Å; D261-R263 PolarHBondContact OD1-N 2.91Å; D261-R263 WeakPolarHBondContact OD2-CB 3.42Å; R263-W265 PolarHBondContact O-N 3.42Å; R263-R266 VanDerWaalsContact O-CD 3.29Å; R263-R266 WeakPolarHBondContact O-CD 3.25Å; R263-R266 VanDerWaalsContact O-CG 3.27Å; R263-R266 WeakPolarHBondContact O-CG 3.19Å; R263-R266 PolarHBondContact O-NE 3.18Å
264	R	95.4	Very high	95.8	Very high	27 Å²	27	59.1 Å²	59.1	10%	0.102	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-71.1	-16.9	178.5	-61.5	172.6	177.2	178.8	-5	113.1	L225 S226 W257 L258 D261 R262 R266 H267	L225-R264 VanDerWaalsContact O-CZ 3.23Å; L225-R264 PolarHBondContact O-NH1 3.45Å; L225-R264 PolarHBondContact O-NH2 3.03Å; S226-R264 PolarHBondContact O-NH2 3.05Å; W257-R264 VanDerWaalsContact CD1-NH1 3.27Å; W257-R264 HydrophobicContact CE3-CB 4.35Å; W257-R264 HydrophobicContact CH2-CB 4.09Å; W257-R264 HydrophobicContact CH2-CG 4.01Å; W257-R264 HydrophobicContact CZ2-CG 4.19Å; W257-R264 HydrophobicContact CZ3-CB 3.9Å; W257-R264 HydrophobicContact CZ3-CG 4.25Å; W257-R264 WeakPolarHBondContact O-CD 3.37Å; W257-R264 PolarHBondContact O-NH1 3.21Å; L258-R264 HydrophobicContact CD2-CB 4.18Å; L258-R264 VanDerWaalsContact CD2-O 3.32Å; L258-R264 WeakPolarHBondContact CD2-O 3.43Å; D261-R264 HydrophobicContact CB-CG 4.02Å; D261-R264 VanDerWaalsContact O-CB 3.26Å; D261-R264 WeakPolarHBondContact O-CB 3.24Å; D261-R264 PolarHBondContact O-N 3.35Å; R262-R264 PolarHBondContact O-N 3.37Å; R264-R266 PolarHBondContact O-N 3.13Å; R264-R266 VanDerWaalsContact O-N 3.09Å; R264-H267 WeakPolarHBondContact O-CA 3.44Å; R264-H267 WeakPolarHBondContact O-CB 3.25Å; R264-H267 PolarHBondContact O-N 2.91Å
265	W	94.8	Very high	95.8	Very high	72 Å²	72	59.3 Å²	59.3	27%	0.273	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.8	-27.5	178.7	-72	34.4	0	0	0	112.7	L258 R262 R263 H267 T268 E293 F294 Y297	L258-W265 PolarHBondContact O-NE1 2.96Å; R262-W265 WeakPolarHBondContact O-CB 3.41Å; R262-W265 PolarHBondContact O-N 2.99Å; R263-W265 PolarHBondContact O-N 3.42Å; W265-H267 PolarHBondContact O-N 3.29Å; W265-T268 WeakPolarHBondContact O-CB 3.41Å; W265-T268 PolarHBondContact O-N 2.92Å; W265-T268 PolarHBondContact O-OG1 2.74Å; W265-E293 HydrophobicContact CH2-CG 3.94Å; W265-E293 HydrophobicContact CZ2-CG 4.36Å; W265-F294 AromaticContact CD2-CE1 3.83Å; W265-F294 HydrophobicContact CD2-CE1 3.83Å; W265-F294 AromaticContact CE2-CE1 3.64Å; W265-F294 HydrophobicContact CE3-CE1 4.37Å; W265-F294 HydrophobicContact CG-CE1 4.07Å; W265-F294 HydrophobicContact CZ2-CE1 4.04Å; W265-F294 HydrophobicContact CZ2-CZ 4.21Å; W265-F294 AromaticContact NE1-CE1 3.76Å; W265-Y297 HydrophobicContact CZ3-CD2 4.36Å; W265-Y297 HydrophobicContact CZ3-CE2 4.32Å
266	R	94.3	Very high	95.8	Very high	181 Å²	181	59 Å²	59	68%	0.683	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18.5	173.5	77.7	-165.2	175.2	169	-0.6	114.1	R263 R264	R263-R266 VanDerWaalsContact O-CD 3.29Å; R263-R266 WeakPolarHBondContact O-CD 3.25Å; R263-R266 VanDerWaalsContact O-CG 3.27Å; R263-R266 WeakPolarHBondContact O-CG 3.19Å; R263-R266 PolarHBondContact O-NE 3.18Å; R264-R266 PolarHBondContact O-N 3.13Å; R264-R266 VanDerWaalsContact O-N 3.09Å
267	H	95.7	Very high	95.8	Very high	65 Å²	65	57.5 Å²	57.5	30%	0.301	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-98.5	0.1	-178.6	-55.4	-50.2	0	0	0	112.8	L230 R264 W265 D269 T270 I271	L230-H267 HydrophobicContact CD1-CB 4.04Å; L230-H267 HydrophobicContact CD2-CB 4.1Å; R264-H267 WeakPolarHBondContact O-CA 3.44Å; R264-H267 WeakPolarHBondContact O-CB 3.25Å; R264-H267 PolarHBondContact O-N 2.91Å; W265-H267 PolarHBondContact O-N 3.29Å; H267-D269 VanDerWaalsContact C-N 3.32Å; H267-D269 PolarHBondContact O-N 3.12Å; H267-T270 PolarHBondContact O-N 3.3Å; H267-I271 WeakPolarHBondContact O-CG2 3.16Å; H267-I271 PolarHBondContact O-N 3.18Å
268	T	95.8	Very high	95.6	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-51.9	-49.3	179.4	-54.2	0	0	0	0	111.5	L258 W265 T270 I271 V272 F294	L258-T268 HydrophobicContact CD1-CG2 4.22Å; W265-T268 WeakPolarHBondContact O-CB 3.41Å; W265-T268 PolarHBondContact O-N 2.92Å; W265-T268 PolarHBondContact O-OG1 2.74Å; T268-T270 PolarHBondContact O-N 3.11Å; T268-I271 WeakPolarHBondContact O-CG2 3.49Å; T268-I271 PolarHBondContact O-N 3.14Å; T268-V272 HydrophobicContact CG2-CG1 4.28Å; T268-V272 WeakPolarHBondContact O-CG1 3.29Å; T268-V272 WeakPolarHBondContact O-CG2 3.39Å; T268-V272 PolarHBondContact O-N 3.39Å; T268-V272 VanDerWaalsContact O-N 3.17Å; T268-F294 HydrophobicContact CG2-CB 4.1Å; T268-F294 HydrophobicContact CG2-CD1 4.22Å; T268-F294 HydrophobicContact CG2-CG 4.46Å
269	D	95.6	Very high	95.5	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.353	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-25.8	-178.8	-74.5	2.1	0	0	0	112.8	H267 Q273 S298 Q300	H267-D269 VanDerWaalsContact C-N 3.32Å; H267-D269 PolarHBondContact O-N 3.12Å; D269-Q273 PolarHBondContact O-NE2 2.96Å; D269-S298 WeakPolarHBondContact OD1-CA 3.32Å; D269-S298 WeakPolarHBondContact OD1-CB 3.34Å; D269-S298 PolarHBondContact OD1-OG 2.8Å; D269-Q300 HydrophobicContact CB-CB 3.9Å
270	T	95.4	Very high	95.4	Very high	60 Å²	60	53.1 Å²	53.1	37%	0.368	23%	0.23	S	C	.	.	H	α-helix	trans	-84.7	-38.6	178.5	-33.7	0	0	0	0	112.2	Q234 H267 T268	Q234-T270 PolarHBondContact NE2-O 3.22Å; H267-T270 PolarHBondContact O-N 3.3Å; T268-T270 PolarHBondContact O-N 3.11Å
271	I	96.3	Very high	95.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-80.2	-32.2	-173.7	-164	57.8	0	0	0	113	L230 L233 Q234 L237 V254 L258 H267 T268 Q273 S274	L230-I271 HydrophobicContact CD1-CB 4.3Å; L230-I271 HydrophobicContact CD1-CD1 4.06Å; L233-I271 HydrophobicContact CB-CD1 4.47Å; L233-I271 HydrophobicContact CD2-CD1 3.95Å; L233-I271 HydrophobicContact CD2-CG1 3.99Å; L233-I271 HydrophobicContact CG-CD1 3.95Å; L233-I271 HydrophobicContact CG-CG1 4.46Å; Q234-I271 HydrophobicContact CB-CD1 4.45Å; Q234-I271 HydrophobicContact CG-CD1 3.41Å; Q234-I271 VanDerWaalsContact CG-CD1 3.41Å; L237-I271 HydrophobicContact CD1-CD1 3.74Å; L237-I271 HydrophobicContact CD1-CG1 4.09Å; V254-I271 HydrophobicContact CG1-CG1 3.97Å; V254-I271 HydrophobicContact CG1-CG2 3.7Å; V254-I271 HydrophobicContact CG2-CG1 4.14Å; L258-I271 HydrophobicContact CD1-CG2 4.24Å; L258-I271 HydrophobicContact CD2-CG2 4.41Å; H267-I271 WeakPolarHBondContact O-CG2 3.16Å; H267-I271 PolarHBondContact O-N 3.18Å; T268-I271 WeakPolarHBondContact O-CG2 3.49Å; T268-I271 PolarHBondContact O-N 3.14Å; I271-Q273 PolarHBondContact O-N 3.26Å; I271-S274 PolarHBondContact O-N 3.48Å; I271-S274 VanDerWaalsContact O-N 3.1Å
272	V	95.2	Very high	95.2	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-66.3	-25	178.8	-62.7	0	0	0	0	112.9	T268 S274 I275 F277 Q300 L301	T268-V272 HydrophobicContact CG2-CG1 4.28Å; T268-V272 WeakPolarHBondContact O-CG1 3.29Å; T268-V272 WeakPolarHBondContact O-CG2 3.39Å; T268-V272 PolarHBondContact O-N 3.39Å; T268-V272 VanDerWaalsContact O-N 3.17Å; V272-S274 PolarHBondContact O-N 2.76Å; V272-S274 VanDerWaalsContact O-N 3.15Å; V272-I275 WeakPolarHBondContact O-CB 3.49Å; V272-I275 PolarHBondContact O-N 2.85Å; V272-F277 HydrophobicContact CB-CE2 4.36Å; V272-F277 HydrophobicContact CB-CZ 4.35Å; V272-F277 WeakPolarHBondContact O-CE2 3.49Å; V272-Q300 HydrophobicContact CG2-CB 4.21Å; V272-Q300 HydrophobicContact CG2-CG 4.09Å; V272-L301 HydrophobicContact CB-CD1 4.19Å; V272-L301 HydrophobicContact CG1-CB 4.27Å; V272-L301 HydrophobicContact CG1-CD1 3.95Å; V272-L301 HydrophobicContact CG1-CD2 4.36Å; V272-L301 HydrophobicContact CG1-CG 4.42Å; V272-L301 HydrophobicContact CG2-CB 4.17Å
273	Q	94.8	Very high	95.3	Very high	89 Å²	89	45.8 Å²	45.8	42%	0.416	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-66.6	-11.6	174.6	-64.4	175.5	50.1	0	0	113.4	D269 I271 Q300 R324	D269-Q273 PolarHBondContact O-NE2 2.96Å; I271-Q273 PolarHBondContact O-N 3.26Å; Q273-Q300 HydrophobicContact CG-CG 3.76Å; Q273-R324 PolarHBondContact O-NH1 3.48Å
274	S	96.4	Very high	95.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-92.3	-3.3	171.8	-63.9	0	0	0	0	114.1	N238 I271 V272 R329	N238-S274 WeakPolarHBondContact OD1-CB 3.17Å; N238-S274 PolarHBondContact OD1-OG 3.25Å; I271-S274 PolarHBondContact O-N 3.48Å; I271-S274 VanDerWaalsContact O-N 3.1Å; V272-S274 PolarHBondContact O-N 2.76Å; V272-S274 VanDerWaalsContact O-N 3.15Å; S274-R329 PolarHBondContact O-NH2 3.24Å; S274-R329 VanDerWaalsContact O-NH2 3.14Å
275	I	97.3	Very high	95.3	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	-96.8	134	176.1	-61.5	-61.5	0	0	0	110	L237 E247 L250 Y251 V254 V272 F277 M280	L237-I275 HydrophobicContact CD1-CD1 4.29Å; L237-I275 HydrophobicContact CD2-CD1 3.93Å; E247-I275 HydrophobicContact CG-CG2 3.93Å; E247-I275 WeakPolarHBondContact OE1-CA 3.37Å; L250-I275 HydrophobicContact CB-CD1 4.06Å; Y251-I275 HydrophobicContact CD2-CG1 4.5Å; Y251-I275 HydrophobicContact CD2-CG2 4.41Å; V254-I275 HydrophobicContact CG2-CD1 4.07Å; V254-I275 HydrophobicContact CG2-CG1 4.45Å; V272-I275 WeakPolarHBondContact O-CB 3.49Å; V272-I275 PolarHBondContact O-N 2.85Å; I275-F277 HydrophobicContact CB-CD2 4.32Å; I275-F277 HydrophobicContact CB-CE2 3.72Å; I275-F277 HydrophobicContact CB-CZ 3.84Å; I275-F277 HydrophobicContact CG2-CD1 4.11Å; I275-F277 HydrophobicContact CG2-CD2 4.01Å; I275-F277 HydrophobicContact CG2-CE1 3.76Å; I275-F277 HydrophobicContact CG2-CE2 3.67Å; I275-F277 HydrophobicContact CG2-CG 4.22Å; I275-F277 HydrophobicContact CG2-CZ 3.52Å; I275-F277 WeakPolarHBondContact O-CD2 3.31Å; I275-F277 PolarHBondContact O-N 2.71Å; I275-M280 HydrophobicContact CG2-CE 3.47Å; I275-M280 VanDerWaalsContact CG2-CE 3.47Å
276	R	96.4	Very high	95.4	Very high	8 Å²	8	39 Å²	39	3%	0.03	20%	0.199	C	C	.	.			trans	-98.9	67.3	-172	-53.9	-173.3	-165.3	-170.1	9.3	111.5	D240 E247 C278 L279 S325 R327 I328	D240-R276 IonicContact OD1-CZ 3.06Å; D240-R276 IonicContact OD1-NH1 3.16Å; D240-R276 PolarHBondContact OD1-NH1 2.89Å; D240-R276 IonicContact OD1-NH2 2.73Å; D240-R276 PolarHBondContact OD1-NH2 2.9Å; E247-R276 VanDerWaalsContact CD-N 3.28Å; E247-R276 HydrophobicContact CG-CB 4.13Å; E247-R276 PolarHBondContact OE1-N 2.81Å; R276-C278 PolarHBondContact O-N 2.99Å; R276-L279 HydrophobicContact CB-CD1 3.81Å; R276-L279 HydrophobicContact CB-CG 3.94Å; R276-L279 HydrophobicContact CG-CD1 4.48Å; R276-L279 WeakPolarHBondContact O-CB 3.44Å; R276-L279 PolarHBondContact O-N 2.75Å; R276-S325 CarbonylContact C-O 3.59Å; R276-S325 WeakPolarHBondContact CB-O 3.46Å; R276-R327 VanDerWaalsContact CD-O 3.32Å; R276-R327 WeakPolarHBondContact CD-O 3.4Å; R276-R327 PolarHBondContact NH1-O 3.4Å; R276-I328 PolarHBondContact NH1-O 3.27Å
277	F	96.3	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-51.7	-27.7	-171.9	-65.5	-83.8	0	0	0	115.2	Y251 V272 I275 L279 M280 I285 V289 L301 E304 V305 A308 S325	Y251-F277 AromaticContact CD2-CE1 4Å; Y251-F277 HydrophobicContact CD2-CE1 4Å; Y251-F277 HydrophobicContact CD2-CZ 4.04Å; Y251-F277 HydrophobicContact CE2-CE1 4.24Å; Y251-F277 HydrophobicContact CE2-CZ 4.24Å; Y251-F277 HydrophobicContact CG-CE1 4.48Å; V272-F277 HydrophobicContact CB-CE2 4.36Å; V272-F277 HydrophobicContact CB-CZ 4.35Å; V272-F277 WeakPolarHBondContact O-CE2 3.49Å; I275-F277 HydrophobicContact CB-CD2 4.32Å; I275-F277 HydrophobicContact CB-CE2 3.72Å; I275-F277 HydrophobicContact CB-CZ 3.84Å; I275-F277 HydrophobicContact CG2-CD1 4.11Å; I275-F277 HydrophobicContact CG2-CD2 4.01Å; I275-F277 HydrophobicContact CG2-CE1 3.76Å; I275-F277 HydrophobicContact CG2-CE2 3.67Å; I275-F277 HydrophobicContact CG2-CG 4.22Å; I275-F277 HydrophobicContact CG2-CZ 3.52Å; I275-F277 WeakPolarHBondContact O-CD2 3.31Å; I275-F277 PolarHBondContact O-N 2.71Å; F277-L279 PolarHBondContact O-N 3.46Å; F277-M280 HydrophobicContact CD1-CE 3.52Å; F277-M280 HydrophobicContact CD1-SD 3.7Å; F277-M280 HydrophobicContact CE1-CE 3.71Å; F277-M280 HydrophobicContact CE1-SD 4.29Å; F277-M280 HydrophobicContact CG-CE 4.33Å; F277-M280 WeakPolarHBondContact O-CB 3.48Å; F277-M280 PolarHBondContact O-N 3.48Å; F277-M280 VanDerWaalsContact O-N 3.16Å; F277-I285 HydrophobicContact CB-CD1 4.43Å; F277-V289 HydrophobicContact CE1-CG1 4Å; F277-V289 HydrophobicContact CE1-CG2 4.42Å; F277-L301 HydrophobicContact CE1-CD1 3.76Å; F277-L301 HydrophobicContact CE2-CD1 4.11Å; F277-L301 HydrophobicContact CZ-CD1 3.32Å; F277-E304 HydrophobicContact CD2-CB 3.62Å; F277-E304 HydrophobicContact CD2-CG 4.34Å; F277-E304 HydrophobicContact CE2-CB 3.76Å; F277-E304 HydrophobicContact CE2-CG 4.17Å; F277-E304 HydrophobicContact CG-CB 4.47Å; F277-V305 HydrophobicContact CD1-CG2 4.16Å; F277-V305 HydrophobicContact CE1-CG2 4.31Å; F277-A308 HydrophobicContact CB-CB 3.7Å; F277-S325 PolarHBondContact N-OG 3.36Å
278	C	94.9	Very high	95.4	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.027	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-72.9	-1.9	174.7	-50.5	0	0	0	0	114.5	R276 Y311 S325 N326	R276-C278 PolarHBondContact O-N 2.99Å; C278-Y311 HydrophobicContact CB-CD1 3.57Å; C278-Y311 HydrophobicContact CB-CE1 3.91Å; C278-Y311 HydrophobicContact CB-CG 4.1Å; C278-S325 VanDerWaalsContact CB-O 3.27Å; C278-S325 WeakPolarHBondContact CB-O 3.3Å; C278-S325 PolarHBondContact N-O 3.06Å; C278-S325 PolarHBondContact N-OG 3.27Å; C278-S325 PolarHBondContact SG-OG 3.4Å; C278-N326 HydrophobicContact CB-CB 3.61Å
279	L	94.2	Very high	95.4	Very high	18 Å²	18	37.3 Å²	37.3	9%	0.094	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-96.5	-9.1	169.6	-55.9	-174.5	0	0	0	113.4	E247 R276 F277 R329 R408	E247-L279 HydrophobicContact CB-CB 4.19Å; R276-L279 HydrophobicContact CB-CD1 3.81Å; R276-L279 HydrophobicContact CB-CG 3.94Å; R276-L279 HydrophobicContact CG-CD1 4.48Å; R276-L279 WeakPolarHBondContact O-CB 3.44Å; R276-L279 PolarHBondContact O-N 2.75Å; F277-L279 PolarHBondContact O-N 3.46Å; L279-R329 HydrophobicContact CD1-CG 4.48Å; L279-R408 HydrophobicContact CD2-CG 4.3Å
280	M	94.6	Very high	95.4	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.025	19%	0.19	C	C	.	.	S	Bend	trans	-76.5	170.1	173	-60.9	-178.2	-174.8	0	0	111.1	E247 I248 Y251 I275 F277 D284 I285 V289 F312	E247-M280 HydrophobicContact CB-CE 4.34Å; E247-M280 HydrophobicContact CB-CG 3.97Å; E247-M280 HydrophobicContact CG-CE 3.93Å; E247-M280 HydrophobicContact CG-CG 4.33Å; I248-M280 HydrophobicContact CB-CG 4.49Å; I248-M280 HydrophobicContact CD1-SD 4.21Å; Y251-M280 HydrophobicContact CG-CE 4.17Å; I275-M280 HydrophobicContact CG2-CE 3.47Å; I275-M280 VanDerWaalsContact CG2-CE 3.47Å; F277-M280 HydrophobicContact CD1-CE 3.52Å; F277-M280 HydrophobicContact CD1-SD 3.7Å; F277-M280 HydrophobicContact CE1-CE 3.71Å; F277-M280 HydrophobicContact CE1-SD 4.29Å; F277-M280 HydrophobicContact CG-CE 4.33Å; F277-M280 WeakPolarHBondContact O-CB 3.48Å; F277-M280 PolarHBondContact O-N 3.48Å; F277-M280 VanDerWaalsContact O-N 3.16Å; M280-D284 HydrophobicContact CB-CB 4.4Å; M280-I285 HydrophobicContact CB-CD1 4.45Å; M280-I285 HydrophobicContact CB-CG1 4.16Å; M280-I285 HydrophobicContact SD-CG1 4Å; M280-V289 HydrophobicContact SD-CG2 3.94Å; M280-F312 WeakPolarHBondContact O-CZ 3.14Å
281	T	92.9	Very high	95.4	Very high	57 Å²	57	37.2 Å²	37.2	35%	0.35	20%	0.195	S	C	.	.			trans	-82.1	155.8	162	77	0	0	0	0	110.6	A283 D284 I285	T281-A283 PolarHBondContact O-N 3.06Å; T281-A283 PolarHBondContact OG1-N 3.24Å; T281-D284 WeakPolarHBondContact CB-OD2 3.44Å; T281-D284 WeakPolarHBondContact CG2-OD2 3.18Å; T281-D284 PolarHBondContact N-OD2 2.72Å; T281-D284 PolarHBondContact O-N 2.93Å; T281-D284 VanDerWaalsContact OG1-CG 3.3Å; T281-D284 PolarHBondContact OG1-N 3.24Å; T281-D284 VanDerWaalsContact OG1-N 3.11Å; T281-D284 PolarHBondContact OG1-OD2 3.12Å; T281-I285 PolarHBondContact O-N 2.87Å
282	P	94.6	Very high	95.3	Very high	52 Å²	52	37.5 Å²	37.5	34%	0.338	20%	0.197	S	C	.	.	H	α-helix	trans	-56.9	-33.7	169.5	-26.2	35.2	0	0	0	112.9	I285 F286 F312	P282-I285 PolarHBondContact O-N 3.07Å; P282-F286 WeakPolarHBondContact O-CD2 3.48Å; P282-F286 PolarHBondContact O-N 3.24Å; P282-F286 VanDerWaalsContact O-N 3.08Å; P282-F312 HydrophobicContact CG-CB 4.15Å; P282-F312 HydrophobicContact CG-CD1 4.34Å; P282-F312 HydrophobicContact CG-CD2 3.99Å; P282-F312 HydrophobicContact CG-CG 3.91Å
283	A	95.3	Very high	95.2	Very high	50 Å²	50	39.8 Å²	39.8	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-48	178.6	0	0	0	0	0	111.6	T281 I285 F286 E287	T281-A283 PolarHBondContact O-N 3.06Å; T281-A283 PolarHBondContact OG1-N 3.24Å; A283-I285 PolarHBondContact O-N 3.13Å; A283-F286 PolarHBondContact O-N 3.37Å; A283-F286 VanDerWaalsContact O-N 3.11Å; A283-E287 WeakPolarHBondContact O-CB 3.12Å; A283-E287 WeakPolarHBondContact O-CG 3.36Å; A283-E287 PolarHBondContact O-N 2.87Å
284	D	95.2	Very high	95.2	Very high	33 Å²	33	35.8 Å²	35.8	18%	0.176	19%	0.188	C	C	.	.	H	α-helix	trans	-54.5	-42.5	174.7	-65.1	-65	0	0	0	111.8	I248 M280 T281 K288 V289	I248-D284 HydrophobicContact CB-CB 4.24Å; I248-D284 HydrophobicContact CD1-CB 4.03Å; I248-D284 HydrophobicContact CG1-CB 3.93Å; M280-D284 HydrophobicContact CB-CB 4.4Å; T281-D284 WeakPolarHBondContact CB-OD2 3.44Å; T281-D284 WeakPolarHBondContact CG2-OD2 3.18Å; T281-D284 PolarHBondContact N-OD2 2.72Å; T281-D284 PolarHBondContact O-N 2.93Å; T281-D284 VanDerWaalsContact OG1-CG 3.3Å; T281-D284 PolarHBondContact OG1-N 3.24Å; T281-D284 VanDerWaalsContact OG1-N 3.11Å; T281-D284 PolarHBondContact OG1-OD2 3.12Å; D284-K288 WeakPolarHBondContact O-CA 3.39Å; D284-K288 WeakPolarHBondContact O-CB 3.45Å; D284-K288 PolarHBondContact O-N 3.28Å; D284-V289 PolarHBondContact O-N 2.99Å
285	I	96.1	Very high	95.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-63.6	-45.2	178.5	-69.2	-174.1	0	0	0	111.4	F277 M280 T281 P282 A283 V289 K290 V305 A308 L309 F312	F277-I285 HydrophobicContact CB-CD1 4.43Å; M280-I285 HydrophobicContact CB-CD1 4.45Å; M280-I285 HydrophobicContact CB-CG1 4.16Å; M280-I285 HydrophobicContact SD-CG1 4Å; T281-I285 PolarHBondContact O-N 2.87Å; P282-I285 PolarHBondContact O-N 3.07Å; A283-I285 PolarHBondContact O-N 3.13Å; I285-V289 HydrophobicContact CG1-CG2 4.33Å; I285-V289 WeakPolarHBondContact O-CB 3.49Å; I285-V289 PolarHBondContact O-N 2.98Å; I285-K290 HydrophobicContact CG2-CG 4.33Å; I285-K290 WeakPolarHBondContact O-CG 3.32Å; I285-K290 PolarHBondContact O-N 3.06Å; I285-V305 HydrophobicContact CG2-CG1 3.59Å; I285-V305 HydrophobicContact CG2-CG2 4.42Å; I285-A308 HydrophobicContact CD1-CB 3.98Å; I285-L309 HydrophobicContact CG2-CD1 4.24Å; I285-L309 HydrophobicContact CG2-CD2 4.34Å; I285-L309 HydrophobicContact CG2-CG 4.33Å; I285-F312 HydrophobicContact CD1-CE2 3.77Å
286	F	95.9	Very high	94.8	Very high	115 Å²	115	45 Å²	45	50%	0.504	22%	0.223	S	C	.	.	I	π-helix	trans	-71.1	-41.5	179.1	-79.1	-71.1	0	0	0	113.1	P282 A283 K290 L309	P282-F286 WeakPolarHBondContact O-CD2 3.48Å; P282-F286 PolarHBondContact O-N 3.24Å; P282-F286 VanDerWaalsContact O-N 3.08Å; A283-F286 PolarHBondContact O-N 3.37Å; A283-F286 VanDerWaalsContact O-N 3.11Å; F286-K290 HydrophobicContact CD1-CD 3.9Å; F286-K290 HydrophobicContact CE1-CD 4.04Å; F286-L309 HydrophobicContact CE2-CD2 3.74Å; F286-L309 HydrophobicContact CZ-CD1 4.24Å; F286-L309 HydrophobicContact CZ-CD2 4.06Å
287	E	95.1	Very high	94.4	Very high	143 Å²	143	53 Å²	53	67%	0.668	25%	0.254	S	S	*	.	I	π-helix	trans	-85	-35.2	-172	-66.3	-176.8	-172.9	0	0	113.8	A283 T291	A283-E287 WeakPolarHBondContact O-CB 3.12Å; A283-E287 WeakPolarHBondContact O-CG 3.36Å; A283-E287 PolarHBondContact O-N 2.87Å; E287-T291 WeakPolarHBondContact O-CB 3.43Å; E287-T291 WeakPolarHBondContact O-CG2 3.44Å; E287-T291 PolarHBondContact O-OG1 3.46Å
288	K	94.9	Very high	94.4	Very high	75 Å²	75	53.2 Å²	53.2	33%	0.326	26%	0.256	S	S	.	.	I	π-helix	trans	-114.3	-38.5	-172.6	-61.6	171.4	161.7	-152.5	0	114	I248 E252 D284 T291	I248-K288 HydrophobicContact CD1-CB 3.93Å; I248-K288 HydrophobicContact CD1-CD 3.71Å; I248-K288 HydrophobicContact CG1-CD 3.49Å; I248-K288 VanDerWaalsContact CG1-CD 3.49Å; E252-K288 VanDerWaalsContact OE1-CD 3.23Å; E252-K288 WeakPolarHBondContact OE1-CD 3.25Å; E252-K288 WeakPolarHBondContact OE1-CE 3.43Å; E252-K288 IonicContact OE1-NZ 3.49Å; E252-K288 PolarHBondContact OE1-NZ 3.5Å; E252-K288 IonicContact OE2-NZ 3.63Å; E252-K288 PolarHBondContact OE2-NZ 3.15Å; D284-K288 WeakPolarHBondContact O-CA 3.39Å; D284-K288 WeakPolarHBondContact O-CB 3.45Å; D284-K288 PolarHBondContact O-N 3.28Å; K288-T291 PolarHBondContact O-OG1 2.88Å
289	V	96.4	Very high	94.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-81.8	-54.2	-177.7	-171.8	0	0	0	0	111.2	I248 Y251 F277 M280 D284 I285 T291 S292 Y295 L301 V305	I248-V289 HydrophobicContact CD1-CG2 4.16Å; Y251-V289 HydrophobicContact CD1-CG2 3.88Å; Y251-V289 HydrophobicContact CE1-CB 4.09Å; Y251-V289 HydrophobicContact CE1-CG1 4.01Å; Y251-V289 HydrophobicContact CE1-CG2 3.74Å; Y251-V289 HydrophobicContact CE2-CG1 4.44Å; F277-V289 HydrophobicContact CE1-CG1 4Å; F277-V289 HydrophobicContact CE1-CG2 4.42Å; M280-V289 HydrophobicContact SD-CG2 3.94Å; D284-V289 PolarHBondContact O-N 2.99Å; I285-V289 HydrophobicContact CG1-CG2 4.33Å; I285-V289 WeakPolarHBondContact O-CB 3.49Å; I285-V289 PolarHBondContact O-N 2.98Å; V289-T291 VanDerWaalsContact C-N 3.29Å; V289-T291 PolarHBondContact O-N 3.37Å; V289-S292 VanDerWaalsContact O-CB 3.32Å; V289-S292 WeakPolarHBondContact O-CB 3.38Å; V289-S292 PolarHBondContact O-N 2.61Å; V289-Y295 WeakPolarHBondContact O-CB 3.27Å; V289-L301 HydrophobicContact CG1-CD1 4.02Å; V289-V305 HydrophobicContact CG1-CG2 3.61Å
290	K	95.4	Very high	94.5	Very high	50 Å²	50	63 Å²	63	22%	0.217	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-24	-177.3	-71.4	-165	169.7	-169	0	114.1	I285 F286 Y295 V305 D306 L309	I285-K290 HydrophobicContact CG2-CG 4.33Å; I285-K290 WeakPolarHBondContact O-CG 3.32Å; I285-K290 PolarHBondContact O-N 3.06Å; F286-K290 HydrophobicContact CD1-CD 3.9Å; F286-K290 HydrophobicContact CE1-CD 4.04Å; K290-Y295 HydrophobicContact CB-CD1 4.42Å; K290-Y295 HydrophobicContact CB-CE1 4.28Å; K290-Y295 HydrophobicContact CD-CE2 4.48Å; K290-Y295 VanDerWaalsContact CE-OH 3.25Å; K290-Y295 WeakPolarHBondContact CE-OH 3.39Å; K290-Y295 HydrophobicContact CG-CD2 4.27Å; K290-Y295 HydrophobicContact CG-CE1 4.1Å; K290-Y295 HydrophobicContact CG-CE2 3.78Å; K290-Y295 WeakPolarHBondContact O-CD1 3.43Å; K290-V305 HydrophobicContact CD-CG1 4.37Å; K290-V305 HydrophobicContact CG-CG1 4.2Å; K290-D306 IonicContact NZ-OD1 2.74Å; K290-L309 VanDerWaalsContact CE-CD1 3.45Å
291	T	94.4	Very high	94.6	Very high	74 Å²	74	62.8 Å²	62.8	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-24.9	176.8	51.5	0	0	0	0	112.9	E287 K288 V289 R296	E287-T291 WeakPolarHBondContact O-CB 3.43Å; E287-T291 WeakPolarHBondContact O-CG2 3.44Å; E287-T291 PolarHBondContact O-OG1 3.46Å; K288-T291 PolarHBondContact O-OG1 2.88Å; V289-T291 VanDerWaalsContact C-N 3.29Å; V289-T291 PolarHBondContact O-N 3.37Å; T291-R296 PolarHBondContact O-NH2 3.42Å
292	S	94	Very high	94.7	Very high	7 Å²	7	64.4 Å²	64.4	5%	0.049	29%	0.292	C	S	.	.	S	Bend	trans	-57.1	149.2	-176.2	178.1	0	0	0	0	114.2	Q255 V289 F294	Q255-S292 PolarHBondContact NE2-OG 3.06Å; V289-S292 VanDerWaalsContact O-CB 3.32Å; V289-S292 WeakPolarHBondContact O-CB 3.38Å; V289-S292 PolarHBondContact O-N 2.61Å; S292-F294 VanDerWaalsContact C-N 3.25Å; S292-F294 PolarHBondContact O-N 3.12Å; S292-F294 WeakPolarHBondContact OG-CD2 3.47Å; S292-F294 PolarHBondContact OG-N 3.29Å
293	E	93.1	Very high	94.8	Very high	50 Å²	50	66.3 Å²	66.3	23%	0.234	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-37.4	164.8	69.6	-80.1	-126.5	0	0	112.6	R259 W265 Y295 R296 Y297	R259-E293 IonicContact CZ-OE1 3.9Å; R259-E293 IonicContact CZ-OE2 3.21Å; R259-E293 IonicContact NE-OE1 3.2Å; R259-E293 PolarHBondContact NE-OE1 3.37Å; R259-E293 IonicContact NE-OE2 3.56Å; R259-E293 VanDerWaalsContact NH2-CD 3.32Å; R259-E293 IonicContact NH2-OE1 3.62Å; R259-E293 PolarHBondContact NH2-OE1 3.08Å; R259-E293 VanDerWaalsContact NH2-OE1 3.08Å; R259-E293 IonicContact NH2-OE2 3.77Å; R259-E293 PolarHBondContact NH2-OE2 2.69Å; W265-E293 HydrophobicContact CH2-CG 3.94Å; W265-E293 HydrophobicContact CZ2-CG 4.36Å; E293-Y295 PolarHBondContact O-N 2.93Å; E293-R296 PolarHBondContact O-N 2.96Å; E293-Y297 WeakPolarHBondContact O-CD2 3.41Å
294	F	95	Very high	94.9	Very high	4 Å²	4	65 Å²	65	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-37.5	-176.3	-62.1	-66	0	0	0	112.2	Q255 L258 R259 W265 T268 S292 R296 Y297 S298 L301	Q255-F294 HydrophobicContact CB-CD2 4.43Å; Q255-F294 HydrophobicContact CB-CE2 4.07Å; Q255-F294 HydrophobicContact CG-CD2 3.99Å; Q255-F294 HydrophobicContact CG-CE2 4.14Å; L258-F294 HydrophobicContact CB-CE1 3.73Å; L258-F294 HydrophobicContact CB-CE2 4.11Å; L258-F294 HydrophobicContact CB-CZ 3.44Å; L258-F294 VanDerWaalsContact CB-CZ 3.44Å; L258-F294 HydrophobicContact CD1-CD1 4.07Å; L258-F294 HydrophobicContact CD1-CD2 4.42Å; L258-F294 HydrophobicContact CD1-CE1 3.99Å; L258-F294 HydrophobicContact CD1-CE2 4.35Å; L258-F294 HydrophobicContact CD1-CG 4.3Å; L258-F294 HydrophobicContact CD1-CZ 4.14Å; L258-F294 HydrophobicContact CG-CE1 4.41Å; L258-F294 HydrophobicContact CG-CZ 4.43Å; R259-F294 HydrophobicContact CG-CE2 4.15Å; R259-F294 HydrophobicContact CG-CZ 4.01Å; W265-F294 AromaticContact CD2-CE1 3.83Å; W265-F294 HydrophobicContact CD2-CE1 3.83Å; W265-F294 AromaticContact CE2-CE1 3.64Å; W265-F294 HydrophobicContact CE3-CE1 4.37Å; W265-F294 HydrophobicContact CG-CE1 4.07Å; W265-F294 HydrophobicContact CZ2-CE1 4.04Å; W265-F294 HydrophobicContact CZ2-CZ 4.21Å; W265-F294 AromaticContact NE1-CE1 3.76Å; T268-F294 HydrophobicContact CG2-CB 4.1Å; T268-F294 HydrophobicContact CG2-CD1 4.22Å; T268-F294 HydrophobicContact CG2-CG 4.46Å; S292-F294 VanDerWaalsContact C-N 3.25Å; S292-F294 PolarHBondContact O-N 3.12Å; S292-F294 WeakPolarHBondContact OG-CD2 3.47Å; S292-F294 PolarHBondContact OG-N 3.29Å; F294-R296 PolarHBondContact O-N 3.35Å; F294-Y297 PolarHBondContact O-N 2.69Å; F294-S298 WeakPolarHBondContact O-CB 3.35Å; F294-S298 PolarHBondContact O-N 3.4Å; F294-L301 HydrophobicContact CB-CD2 4.13Å
295	Y	95	Very high	95	Very high	36 Å²	36	63.5 Å²	63.5	14%	0.141	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-29.6	178	-177.8	-93	0	0	0	113.1	V289 K290 E293 L301 R302 V305	V289-Y295 WeakPolarHBondContact O-CB 3.27Å; K290-Y295 HydrophobicContact CB-CD1 4.42Å; K290-Y295 HydrophobicContact CB-CE1 4.28Å; K290-Y295 HydrophobicContact CD-CE2 4.48Å; K290-Y295 VanDerWaalsContact CE-OH 3.25Å; K290-Y295 WeakPolarHBondContact CE-OH 3.39Å; K290-Y295 HydrophobicContact CG-CD2 4.27Å; K290-Y295 HydrophobicContact CG-CE1 4.1Å; K290-Y295 HydrophobicContact CG-CE2 3.78Å; K290-Y295 WeakPolarHBondContact O-CD1 3.43Å; E293-Y295 PolarHBondContact O-N 2.93Å; Y295-L301 HydrophobicContact CD2-CG 4.21Å; Y295-R302 HydrophobicContact CD1-CG 4.35Å; Y295-R302 HydrophobicContact CD2-CG 3.99Å; Y295-R302 HydrophobicContact CE1-CG 3.98Å; Y295-R302 HydrophobicContact CE2-CB 4.4Å; Y295-R302 HydrophobicContact CE2-CG 3.59Å; Y295-R302 HydrophobicContact CG-CG 4.34Å; Y295-R302 WeakPolarHBondContact O-CD 3.36Å; Y295-R302 PolarHBondContact O-NE 3.37Å; Y295-V305 HydrophobicContact CD2-CG2 4.43Å; Y295-V305 HydrophobicContact CE2-CB 3.99Å; Y295-V305 HydrophobicContact CE2-CG1 3.82Å; Y295-V305 HydrophobicContact CE2-CG2 4.19Å
296	R	90.1	Very high	95	Very high	163 Å²	163	67.7 Å²	67.7	62%	0.615	30%	0.296	S	S	*	.	H	α-helix	trans	-73.4	-36.2	-179.8	-58.3	175.5	-162.1	168.3	6.9	112.1	T291 E293 F294 R302	T291-R296 PolarHBondContact O-NH2 3.42Å; E293-R296 PolarHBondContact O-N 2.96Å; F294-R296 PolarHBondContact O-N 3.35Å; R296-R302 PolarHBondContact O-NH2 3.31Å; R296-R302 VanDerWaalsContact O-NH2 3.12Å
297	Y	89.2	Confident	94.9	Very high	176 Å²	176	66.9 Å²	66.9	69%	0.69	29%	0.294	S	S	*	.	H	α-helix	trans	-94	-49.5	-176.5	-62	-66.6	0	0	0	112.8	W265 E293 F294 R299 R302	W265-Y297 HydrophobicContact CZ3-CD2 4.36Å; W265-Y297 HydrophobicContact CZ3-CE2 4.32Å; E293-Y297 WeakPolarHBondContact O-CD2 3.41Å; F294-Y297 PolarHBondContact O-N 2.69Å; Y297-R299 PolarHBondContact O-N 2.69Å; Y297-R302 PolarHBondContact O-NH2 2.76Å; Y297-R302 VanDerWaalsContact O-NH2 3.13Å
298	S	95.3	Very high	95	Very high	6 Å²	6	60 Å²	60	4%	0.042	26%	0.262	C	S	.	.			trans	-59.2	134.3	-179.1	173.6	0	0	0	0	111.2	D269 F294 Q300 L301 R302	D269-S298 WeakPolarHBondContact OD1-CA 3.32Å; D269-S298 WeakPolarHBondContact OD1-CB 3.34Å; D269-S298 PolarHBondContact OD1-OG 2.8Å; F294-S298 WeakPolarHBondContact O-CB 3.35Å; F294-S298 PolarHBondContact O-N 3.4Å; S298-Q300 PolarHBondContact OG-N 2.99Å; S298-L301 WeakPolarHBondContact OG-CB 3.33Å; S298-L301 PolarHBondContact OG-N 3.44Å; S298-R302 VanDerWaalsContact O-CZ 3.26Å; S298-R302 PolarHBondContact O-NE 3.49Å; S298-R302 PolarHBondContact O-NH2 2.94Å
299	R	94.6	Very high	95	Very high	178 Å²	178	58.1 Å²	58.1	67%	0.672	26%	0.255	S	S	*	.	S	Bend	trans	-85.5	-42.5	169.5	-172.4	-174.6	167.9	168.2	1.5	110.2	Y297 L301 R302 Q303	Y297-R299 PolarHBondContact O-N 2.69Å; R299-L301 PolarHBondContact O-N 3.33Å; R299-R302 PolarHBondContact O-N 3.27Å; R299-Q303 PolarHBondContact O-N 2.9Å
300	Q	96.6	Very high	95	Very high	50 Å²	50	59.5 Å²	59.5	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-47.6	-178.2	-168	65.3	25.3	0	0	111.8	D269 V272 Q273 S298 R302 Q303 E304	D269-Q300 HydrophobicContact CB-CB 3.9Å; V272-Q300 HydrophobicContact CG2-CB 4.21Å; V272-Q300 HydrophobicContact CG2-CG 4.09Å; Q273-Q300 HydrophobicContact CG-CG 3.76Å; S298-Q300 PolarHBondContact OG-N 2.99Å; Q300-R302 PolarHBondContact O-N 2.79Å; Q300-R302 VanDerWaalsContact O-N 3.16Å; Q300-Q303 WeakPolarHBondContact O-CA 3.41Å; Q300-Q303 WeakPolarHBondContact O-CB 3.31Å; Q300-Q303 PolarHBondContact O-N 3.11Å; Q300-E304 HydrophobicContact CG-CG 4.3Å; Q300-E304 PolarHBondContact NE2-OE1 2.83Å; Q300-E304 WeakPolarHBondContact O-CG 3.28Å; Q300-E304 PolarHBondContact O-N 3.21Å
301	L	96.4	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-32.2	-179.9	179.9	56	0	0	0	112.9	Y251 V272 F277 V289 F294 Y295 S298 R299 V305	Y251-L301 HydrophobicContact CE2-CD1 4.08Å; Y251-L301 HydrophobicContact CE2-CD2 4.3Å; V272-L301 HydrophobicContact CB-CD1 4.19Å; V272-L301 HydrophobicContact CG1-CB 4.27Å; V272-L301 HydrophobicContact CG1-CD1 3.95Å; V272-L301 HydrophobicContact CG1-CD2 4.36Å; V272-L301 HydrophobicContact CG1-CG 4.42Å; V272-L301 HydrophobicContact CG2-CB 4.17Å; F277-L301 HydrophobicContact CE1-CD1 3.76Å; F277-L301 HydrophobicContact CE2-CD1 4.11Å; F277-L301 HydrophobicContact CZ-CD1 3.32Å; V289-L301 HydrophobicContact CG1-CD1 4.02Å; F294-L301 HydrophobicContact CB-CD2 4.13Å; Y295-L301 HydrophobicContact CD2-CG 4.21Å; S298-L301 WeakPolarHBondContact OG-CB 3.33Å; S298-L301 PolarHBondContact OG-N 3.44Å; R299-L301 PolarHBondContact O-N 3.33Å; L301-V305 HydrophobicContact CD1-CG2 4.15Å; L301-V305 VanDerWaalsContact O-CB 3.28Å; L301-V305 WeakPolarHBondContact O-CB 3.39Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 3.35Å; L301-V305 VanDerWaalsContact O-N 3.13Å
302	R	96.9	Very high	94.9	Very high	91 Å²	91	55.7 Å²	55.7	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-44.2	172.1	-83	174.7	-77.2	-169.5	-9.9	111.5	Y295 R296 Y297 S298 R299 Q300 V305 D306	Y295-R302 HydrophobicContact CD1-CG 4.35Å; Y295-R302 HydrophobicContact CD2-CG 3.99Å; Y295-R302 HydrophobicContact CE1-CG 3.98Å; Y295-R302 HydrophobicContact CE2-CB 4.4Å; Y295-R302 HydrophobicContact CE2-CG 3.59Å; Y295-R302 HydrophobicContact CG-CG 4.34Å; Y295-R302 WeakPolarHBondContact O-CD 3.36Å; Y295-R302 PolarHBondContact O-NE 3.37Å; R296-R302 PolarHBondContact O-NH2 3.31Å; R296-R302 VanDerWaalsContact O-NH2 3.12Å; Y297-R302 PolarHBondContact O-NH2 2.76Å; Y297-R302 VanDerWaalsContact O-NH2 3.13Å; S298-R302 VanDerWaalsContact O-CZ 3.26Å; S298-R302 PolarHBondContact O-NE 3.49Å; S298-R302 PolarHBondContact O-NH2 2.94Å; R299-R302 PolarHBondContact O-N 3.27Å; Q300-R302 PolarHBondContact O-N 2.79Å; Q300-R302 VanDerWaalsContact O-N 3.16Å; R302-V305 PolarHBondContact O-N 2.96Å; R302-D306 WeakPolarHBondContact O-CB 3.48Å; R302-D306 VanDerWaalsContact O-CG 3.23Å; R302-D306 PolarHBondContact O-N 3.45Å
303	Q	96.4	Very high	94.9	Very high	91 Å²	91	62.8 Å²	62.8	43%	0.425	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-42.4	178.3	-64.1	179.9	-112.7	0	0	112.4	R299 Q300 V305 Q307	R299-Q303 PolarHBondContact O-N 2.9Å; Q300-Q303 WeakPolarHBondContact O-CA 3.41Å; Q300-Q303 WeakPolarHBondContact O-CB 3.31Å; Q300-Q303 PolarHBondContact O-N 3.11Å; Q303-V305 PolarHBondContact O-N 3.24Å; Q303-Q307 VanDerWaalsContact O-CB 3.3Å; Q303-Q307 WeakPolarHBondContact O-CB 3.46Å; Q303-Q307 PolarHBondContact O-N 3.48Å
304	E	96.8	Very high	94.9	Very high	24 Å²	24	64.2 Å²	64.2	11%	0.112	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-43.3	173.9	-60.1	-60.4	155.3	0	0	111.9	F277 Q300 A308	F277-E304 HydrophobicContact CD2-CB 3.62Å; F277-E304 HydrophobicContact CD2-CG 4.34Å; F277-E304 HydrophobicContact CE2-CB 3.76Å; F277-E304 HydrophobicContact CE2-CG 4.17Å; F277-E304 HydrophobicContact CG-CB 4.47Å; Q300-E304 HydrophobicContact CG-CG 4.3Å; Q300-E304 PolarHBondContact NE2-OE1 2.83Å; Q300-E304 WeakPolarHBondContact O-CG 3.28Å; Q300-E304 PolarHBondContact O-N 3.21Å; E304-A308 WeakPolarHBondContact O-CB 3.45Å; E304-A308 PolarHBondContact O-N 3.29Å
305	V	96.9	Very high	94.8	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-41.7	179.9	162.5	0	0	0	0	112.2	F277 I285 V289 K290 Y295 L301 R302 Q303 Q307 A308 L309	F277-V305 HydrophobicContact CD1-CG2 4.16Å; F277-V305 HydrophobicContact CE1-CG2 4.31Å; I285-V305 HydrophobicContact CG2-CG1 3.59Å; I285-V305 HydrophobicContact CG2-CG2 4.42Å; V289-V305 HydrophobicContact CG1-CG2 3.61Å; K290-V305 HydrophobicContact CD-CG1 4.37Å; K290-V305 HydrophobicContact CG-CG1 4.2Å; Y295-V305 HydrophobicContact CD2-CG2 4.43Å; Y295-V305 HydrophobicContact CE2-CB 3.99Å; Y295-V305 HydrophobicContact CE2-CG1 3.82Å; Y295-V305 HydrophobicContact CE2-CG2 4.19Å; L301-V305 HydrophobicContact CD1-CG2 4.15Å; L301-V305 VanDerWaalsContact O-CB 3.28Å; L301-V305 WeakPolarHBondContact O-CB 3.39Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 3.35Å; L301-V305 VanDerWaalsContact O-N 3.13Å; R302-V305 PolarHBondContact O-N 2.96Å; Q303-V305 PolarHBondContact O-N 3.24Å; V305-Q307 VanDerWaalsContact C-N 3.34Å; V305-A308 PolarHBondContact O-N 3.07Å; V305-L309 HydrophobicContact CG1-CD1 3.89Å; V305-L309 WeakPolarHBondContact O-CB 3.34Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.41Å; V305-L309 PolarHBondContact O-N 3.39Å
306	D	95.8	Very high	94.7	Very high	88 Å²	88	66.9 Å²	66.9	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-69.3	-34.8	177.9	-68	-27.1	0	0	0	110.8	K290 R302 L309 G310	K290-D306 IonicContact NZ-OD1 2.74Å; R302-D306 WeakPolarHBondContact O-CB 3.48Å; R302-D306 VanDerWaalsContact O-CG 3.23Å; R302-D306 PolarHBondContact O-N 3.45Å; D306-L309 PolarHBondContact O-N 3.26Å; D306-G310 PolarHBondContact O-N 3.1Å
307	Q	95.3	Very high	94.8	Very high	98 Å²	98	62.3 Å²	62.3	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-44.7	169.3	178.6	174.1	-12.4	0	0	112	Q303 V305 L309 G310 Y311	Q303-Q307 VanDerWaalsContact O-CB 3.3Å; Q303-Q307 WeakPolarHBondContact O-CB 3.46Å; Q303-Q307 PolarHBondContact O-N 3.48Å; V305-Q307 VanDerWaalsContact C-N 3.34Å; Q307-L309 VanDerWaalsContact C-N 3.34Å; Q307-L309 PolarHBondContact O-N 3.38Å; Q307-G310 PolarHBondContact O-N 3.35Å; Q307-Y311 PolarHBondContact O-N 3.49Å
308	A	96.3	Very high	95.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-39.4	176.7	0	0	0	0	0	112.1	F277 I285 E304 V305 Y311 F312	F277-A308 HydrophobicContact CB-CB 3.7Å; I285-A308 HydrophobicContact CD1-CB 3.98Å; E304-A308 WeakPolarHBondContact O-CB 3.45Å; E304-A308 PolarHBondContact O-N 3.29Å; V305-A308 PolarHBondContact O-N 3.07Å; A308-Y311 CarbonylContact O-C 3.56Å; A308-Y311 WeakPolarHBondContact O-CB 3.44Å; A308-Y311 PolarHBondContact O-N 3.32Å; A308-F312 HydrophobicContact CB-CE2 4.11Å; A308-F312 WeakPolarHBondContact O-CD2 3.4Å; A308-F312 WeakPolarHBondContact O-CG 3.41Å; A308-F312 PolarHBondContact O-N 3.3Å
309	L	96	Very high	95.1	Very high	34 Å²	34	54.4 Å²	54.4	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-35	176.9	-71.6	167.7	0	0	0	113	I285 F286 K290 V305 D306 Q307 F312 H313	I285-L309 HydrophobicContact CG2-CD1 4.24Å; I285-L309 HydrophobicContact CG2-CD2 4.34Å; I285-L309 HydrophobicContact CG2-CG 4.33Å; F286-L309 HydrophobicContact CE2-CD2 3.74Å; F286-L309 HydrophobicContact CZ-CD1 4.24Å; F286-L309 HydrophobicContact CZ-CD2 4.06Å; K290-L309 VanDerWaalsContact CE-CD1 3.45Å; V305-L309 HydrophobicContact CG1-CD1 3.89Å; V305-L309 WeakPolarHBondContact O-CB 3.34Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.41Å; V305-L309 PolarHBondContact O-N 3.39Å; D306-L309 PolarHBondContact O-N 3.26Å; Q307-L309 VanDerWaalsContact C-N 3.34Å; Q307-L309 PolarHBondContact O-N 3.38Å; L309-F312 HydrophobicContact CD2-CD2 4.49Å; L309-F312 PolarHBondContact O-N 3.32Å; L309-H313 WeakPolarHBondContact O-CB 3.19Å; L309-H313 PolarHBondContact O-N 3.29Å
310	G	95.6	Very high	95.1	Very high	30 Å²	30	48.2 Å²	48.2	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-47.8	166.6	0	0	0	0	0	111.6	D306 Q307 F312 H313 D314	D306-G310 PolarHBondContact O-N 3.1Å; Q307-G310 PolarHBondContact O-N 3.35Å; G310-F312 VanDerWaalsContact C-N 3.27Å; G310-F312 PolarHBondContact O-N 3.22Å; G310-H313 WeakPolarHBondContact O-CB 3.31Å; G310-H313 PolarHBondContact O-N 2.99Å; G310-D314 PolarHBondContact O-N 2.9Å
311	Y	94.9	Very high	94.9	Very high	11 Å²	11	49.1 Å²	49.1	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-33.5	176.1	178.7	-92.5	0	0	0	113.7	C278 Q307 A308 Q318 L321 N326 R408	C278-Y311 HydrophobicContact CB-CD1 3.57Å; C278-Y311 HydrophobicContact CB-CE1 3.91Å; C278-Y311 HydrophobicContact CB-CG 4.1Å; Q307-Y311 PolarHBondContact O-N 3.49Å; A308-Y311 CarbonylContact O-C 3.56Å; A308-Y311 WeakPolarHBondContact O-CB 3.44Å; A308-Y311 PolarHBondContact O-N 3.32Å; Y311-Q318 HydrophobicContact CD1-CG 4.43Å; Y311-Q318 HydrophobicContact CD2-CG 4.2Å; Y311-Q318 HydrophobicContact CE1-CG 3.98Å; Y311-Q318 HydrophobicContact CE2-CB 3.83Å; Y311-Q318 HydrophobicContact CE2-CG 3.7Å; Y311-Q318 WeakPolarHBondContact O-CG 3.47Å; Y311-Q318 PolarHBondContact O-NE2 3.49Å; Y311-Q318 WeakPolarHBondContact OH-CB 3.5Å; Y311-L321 HydrophobicContact CD2-CB 4.4Å; Y311-L321 HydrophobicContact CD2-CD1 3.82Å; Y311-L321 HydrophobicContact CE2-CB 4.3Å; Y311-L321 HydrophobicContact CE2-CD1 4.32Å; Y311-N326 HydrophobicContact CD2-CB 4.45Å; Y311-N326 HydrophobicContact CE1-CB 4.22Å; Y311-N326 HydrophobicContact CE2-CB 3.94Å; Y311-N326 WeakPolarHBondContact CE2-ND2 3.33Å; Y311-R408 PolarHBondContact OH-NH1 2.88Å; Y311-R408 PolarHBondContact OH-NH2 3.14Å
312	F	93.6	Very high	94.4	Very high	32 Å²	32	56.2 Å²	56.2	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-79.3	-23.3	173.9	-63.3	-51.7	0	0	0	113.8	M280 P282 I285 A308 L309 G310 V315	M280-F312 WeakPolarHBondContact O-CZ 3.14Å; P282-F312 HydrophobicContact CG-CB 4.15Å; P282-F312 HydrophobicContact CG-CD1 4.34Å; P282-F312 HydrophobicContact CG-CD2 3.99Å; P282-F312 HydrophobicContact CG-CG 3.91Å; I285-F312 HydrophobicContact CD1-CE2 3.77Å; A308-F312 HydrophobicContact CB-CE2 4.11Å; A308-F312 WeakPolarHBondContact O-CD2 3.4Å; A308-F312 WeakPolarHBondContact O-CG 3.41Å; A308-F312 PolarHBondContact O-N 3.3Å; L309-F312 HydrophobicContact CD2-CD2 4.49Å; L309-F312 PolarHBondContact O-N 3.32Å; G310-F312 VanDerWaalsContact C-N 3.27Å; G310-F312 PolarHBondContact O-N 3.22Å; F312-V315 WeakPolarHBondContact O-CG2 3.25Å
313	H	94	Very high	94.1	Very high	156 Å²	156	54 Å²	54	72%	0.722	28%	0.276	S	S	*	.	H	α-helix	trans	-77.7	-48	174.6	-171.3	68.6	0	0	0	111.5	L309 G310 V315	L309-H313 WeakPolarHBondContact O-CB 3.19Å; L309-H313 PolarHBondContact O-N 3.29Å; G310-H313 WeakPolarHBondContact O-CB 3.31Å; G310-H313 PolarHBondContact O-N 2.99Å; H313-V315 PolarHBondContact O-N 3.3Å
314	D	92.9	Very high	93.8	Very high	80 Å²	80	55 Å²	55	43%	0.428	28%	0.276	S	S	.	.			trans	-82.5	55.6	-176.6	-62.5	-35.8	0	0	0	111.5	G310 N316 Q317 Q318	G310-D314 PolarHBondContact O-N 2.9Å; D314-N316 PolarHBondContact O-N 3.33Å; D314-Q317 HydrophobicContact CB-CB 4Å; D314-Q317 HydrophobicContact CB-CG 3.94Å; D314-Q317 WeakPolarHBondContact O-CB 3.25Å; D314-Q317 PolarHBondContact O-N 3.09Å; D314-Q318 PolarHBondContact O-N 3.2Å
315	V	92.4	Very high	93.6	Very high	51 Å²	51	54.2 Å²	54.2	31%	0.309	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-37.1	-171.9	-179.3	0	0	0	0	112.5	F312 H313 Q318 R404 L413	F312-V315 WeakPolarHBondContact O-CG2 3.25Å; H313-V315 PolarHBondContact O-N 3.3Å; V315-Q318 VanDerWaalsContact O-CB 3.29Å; V315-Q318 WeakPolarHBondContact O-CB 3.02Å; V315-Q318 VanDerWaalsContact O-CG 3.25Å; V315-Q318 WeakPolarHBondContact O-CG 3.47Å; V315-Q318 PolarHBondContact O-N 2.76Å; V315-Q318 PolarHBondContact O-OE1 3.02Å; V315-R404 PolarHBondContact O-NH1 3.21Å; V315-L413 HydrophobicContact CG1-CD2 3.57Å
316	N	93.3	Very high	93.4	Very high	45 Å²	45	54.9 Å²	54.9	24%	0.241	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-30	-178.7	-65.8	-10.9	0	0	0	113.3	D314 Q318 P319 I454 D457	D314-N316 PolarHBondContact O-N 3.33Å; N316-Q318 VanDerWaalsContact C-N 3.29Å; N316-Q318 PolarHBondContact O-N 3.45Å; N316-P319 WeakPolarHBondContact O-CD 3.36Å; N316-I454 WeakPolarHBondContact O-CG2 3.41Å; N316-D457 WeakPolarHBondContact ND2-CB 3.43Å
317	Q	92.8	Very high	93.3	Very high	68 Å²	68	57.1 Å²	57.1	32%	0.318	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.1	175.3	-64.2	-74.7	-8.3	0	0	112.9	D314 P319 L320 L321 T455	D314-Q317 HydrophobicContact CB-CB 4Å; D314-Q317 HydrophobicContact CB-CG 3.94Å; D314-Q317 WeakPolarHBondContact O-CB 3.25Å; D314-Q317 PolarHBondContact O-N 3.09Å; Q317-P319 VanDerWaalsContact C-N 3.33Å; Q317-P319 VanDerWaalsContact O-N 3.11Å; Q317-L320 PolarHBondContact O-N 3.43Å; Q317-L321 HydrophobicContact CB-CD1 4Å; Q317-L321 HydrophobicContact CB-CG 4.32Å; Q317-L321 PolarHBondContact O-N 2.8Å; Q317-T455 VanDerWaalsContact OE1-CG2 3.22Å
318	Q	94.7	Very high	93.2	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.07	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-37	-173.2	-68.3	179	-17.6	0	0	116.5	Y311 D314 V315 N316 L320 F381	Y311-Q318 HydrophobicContact CD1-CG 4.43Å; Y311-Q318 HydrophobicContact CD2-CG 4.2Å; Y311-Q318 HydrophobicContact CE1-CG 3.98Å; Y311-Q318 HydrophobicContact CE2-CB 3.83Å; Y311-Q318 HydrophobicContact CE2-CG 3.7Å; Y311-Q318 WeakPolarHBondContact O-CG 3.47Å; Y311-Q318 PolarHBondContact O-NE2 3.49Å; Y311-Q318 WeakPolarHBondContact OH-CB 3.5Å; D314-Q318 PolarHBondContact O-N 3.2Å; V315-Q318 VanDerWaalsContact O-CB 3.29Å; V315-Q318 WeakPolarHBondContact O-CB 3.02Å; V315-Q318 VanDerWaalsContact O-CG 3.25Å; V315-Q318 WeakPolarHBondContact O-CG 3.47Å; V315-Q318 PolarHBondContact O-N 2.76Å; V315-Q318 PolarHBondContact O-OE1 3.02Å; N316-Q318 VanDerWaalsContact C-N 3.29Å; N316-Q318 PolarHBondContact O-N 3.45Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 3.44Å; Q318-F381 HydrophobicContact CB-CE2 4.34Å; Q318-F381 HydrophobicContact CB-CZ 3.78Å; Q318-F381 WeakPolarHBondContact O-CE2 3.37Å
319	P	94.9	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.6	177.7	-15	32.9	0	0	0	114.7	N316 Q317 V378 N379 F381 F383 I454	N316-P319 WeakPolarHBondContact O-CD 3.36Å; Q317-P319 VanDerWaalsContact C-N 3.33Å; Q317-P319 VanDerWaalsContact O-N 3.11Å; P319-V378 HydrophobicContact CB-CB 4.03Å; P319-V378 HydrophobicContact CB-CG1 4.02Å; P319-V378 WeakPolarHBondContact O-CG1 3.28Å; P319-N379 VanDerWaalsContact O-CB 3.25Å; P319-N379 WeakPolarHBondContact O-CB 3.46Å; P319-N379 VanDerWaalsContact O-CG 3.28Å; P319-N379 PolarHBondContact O-ND2 3.26Å; P319-F381 HydrophobicContact CB-CB 4.37Å; P319-F381 HydrophobicContact CB-CD2 3.56Å; P319-F381 HydrophobicContact CB-CE2 4.03Å; P319-F381 HydrophobicContact CB-CG 4.09Å; P319-F381 HydrophobicContact CG-CB 4.43Å; P319-F381 HydrophobicContact CG-CD1 4.43Å; P319-F381 HydrophobicContact CG-CD2 3.8Å; P319-F381 HydrophobicContact CG-CE2 4.08Å; P319-F381 HydrophobicContact CG-CG 3.97Å; P319-F381 HydrophobicContact CG-CZ 4.48Å; P319-F383 HydrophobicContact CB-CE2 4.42Å; P319-F383 HydrophobicContact CG-CE2 4.31Å; P319-F383 HydrophobicContact CG-CZ 4.08Å; P319-I454 HydrophobicContact CB-CG2 4.5Å; P319-I454 HydrophobicContact CG-CG2 4.22Å
320	L	94.4	Very high	92.8	Very high	48 Å²	48	52.1 Å²	52.1	25%	0.251	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-19.2	-178	-56.4	174.2	0	0	0	112.4	Q317 Q318 E322 V378 K432 I454 T455	Q317-L320 PolarHBondContact O-N 3.43Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 3.44Å; L320-E322 PolarHBondContact O-N 2.83Å; L320-V378 HydrophobicContact CD2-CG1 3.98Å; L320-K432 HydrophobicContact CD1-CB 3.59Å; L320-K432 HydrophobicContact CD2-CB 4.07Å; L320-K432 HydrophobicContact CG-CB 4.49Å; L320-I454 HydrophobicContact CD1-CB 4.19Å; L320-I454 HydrophobicContact CD1-CG2 4.12Å; L320-I454 HydrophobicContact CD2-CD1 4.17Å; L320-I454 HydrophobicContact CG-CG2 4.2Å; L320-T455 HydrophobicContact CD1-CG2 3.36Å
321	L	92	Very high	92.5	Very high	70 Å²	70	54.8 Å²	54.8	37%	0.366	27%	0.266	S	S	.	.			trans	-81.6	107.9	174	-63.8	172.8	0	0	0	109.5	Y311 Q317 N326	Y311-L321 HydrophobicContact CD2-CB 4.4Å; Y311-L321 HydrophobicContact CD2-CD1 3.82Å; Y311-L321 HydrophobicContact CE2-CB 4.3Å; Y311-L321 HydrophobicContact CE2-CD1 4.32Å; Q317-L321 HydrophobicContact CB-CD1 4Å; Q317-L321 HydrophobicContact CB-CG 4.32Å; Q317-L321 PolarHBondContact O-N 2.8Å; L321-N326 PolarHBondContact O-ND2 2.71Å
322	E	86.8	Confident	92.1	Very high	149 Å²	149	61.6 Å²	61.6	70%	0.696	29%	0.292	S	S	*	.			trans	-99.7	117.8	166.9	-171.2	174.3	-172	0	0	110	L320	L320-E322 PolarHBondContact O-N 2.83Å
323	T	90.3	Very high	92	Very high	43 Å²	43	62.6 Å²	62.6	26%	0.264	30%	0.301	S	S	.	.			trans	-143.8	159.6	178	66.1	0	0	0	0	110.6	S325 N326 R327	T323-S325 PolarHBondContact O-N 3.46Å; T323-N326 PolarHBondContact N-OD1 2.99Å; T323-N326 PolarHBondContact O-N 3.33Å; T323-N326 PolarHBondContact O-OD1 3.45Å; T323-N326 PolarHBondContact OG1-N 3.1Å; T323-N326 PolarHBondContact OG1-ND2 3.2Å; T323-N326 PolarHBondContact OG1-OD1 2.71Å; T323-N326 VanDerWaalsContact OG1-OD1 3.1Å; T323-R327 PolarHBondContact O-N 2.86Å
324	R	90.6	Very high	91.7	Very high	112 Å²	112	56.4 Å²	56.4	42%	0.423	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.6	173	-173.7	179.5	-178.3	-161.4	-3.3	112.6	N238 Q273	N238-R324 PolarHBondContact OD1-NH2 3.2Å; Q273-R324 PolarHBondContact O-NH1 3.48Å
325	S	92.7	Very high	91.7	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.063	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.5	-173.9	-163.8	0	0	0	0	113.9	R276 F277 C278 T323	R276-S325 CarbonylContact C-O 3.59Å; R276-S325 WeakPolarHBondContact CB-O 3.46Å; F277-S325 PolarHBondContact N-OG 3.36Å; C278-S325 VanDerWaalsContact CB-O 3.27Å; C278-S325 WeakPolarHBondContact CB-O 3.3Å; C278-S325 PolarHBondContact N-O 3.06Å; C278-S325 PolarHBondContact N-OG 3.27Å; C278-S325 PolarHBondContact SG-OG 3.4Å; T323-S325 PolarHBondContact O-N 3.46Å
326	N	92.2	Very high	91.6	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.07	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-8.5	179.7	70.1	8.3	0	0	0	115.2	C278 Y311 L321 T323 I328 R408	C278-N326 HydrophobicContact CB-CB 3.61Å; Y311-N326 HydrophobicContact CD2-CB 4.45Å; Y311-N326 HydrophobicContact CE1-CB 4.22Å; Y311-N326 HydrophobicContact CE2-CB 3.94Å; Y311-N326 WeakPolarHBondContact CE2-ND2 3.33Å; L321-N326 PolarHBondContact O-ND2 2.71Å; T323-N326 PolarHBondContact N-OD1 2.99Å; T323-N326 PolarHBondContact O-N 3.33Å; T323-N326 PolarHBondContact O-OD1 3.45Å; T323-N326 PolarHBondContact OG1-N 3.1Å; T323-N326 PolarHBondContact OG1-ND2 3.2Å; T323-N326 PolarHBondContact OG1-OD1 2.71Å; T323-N326 VanDerWaalsContact OG1-OD1 3.1Å; N326-I328 PolarHBondContact O-N 2.85Å; N326-R408 PolarHBondContact O-NH1 2.68Å
327	R	92.8	Very high	91.4	Very high	135 Å²	135	48.2 Å²	48.2	51%	0.509	23%	0.227	S	C	.	.	S	Bend	trans	-66.8	123.4	169.4	172.1	174.1	161.7	152.3	-5.9	111	D240 R276 T323	D240-R327 IonicContact OD2-CZ 3.94Å; D240-R327 IonicContact OD2-NE 2.63Å; D240-R327 PolarHBondContact OD2-NE 2.99Å; D240-R327 IonicContact OD2-NH2 3.73Å; D240-R327 PolarHBondContact OD2-NH2 2.96Å; R276-R327 VanDerWaalsContact CD-O 3.32Å; R276-R327 WeakPolarHBondContact CD-O 3.4Å; R276-R327 PolarHBondContact NH1-O 3.4Å; T323-R327 PolarHBondContact O-N 2.86Å
328	I	93.6	Very high	90.8	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.072	21%	0.213	C	C	.	.			trans	-58	139.8	178.6	-55.9	-177.3	0	0	0	111.6	R276 N326 S330 N380 P407 R408 H655 P657	R276-I328 PolarHBondContact NH1-O 3.27Å; N326-I328 PolarHBondContact O-N 2.85Å; I328-S330 PolarHBondContact O-N 3.11Å; I328-N380 VanDerWaalsContact CD1-ND2 3.33Å; I328-N380 WeakPolarHBondContact CD1-ND2 3.41Å; I328-P407 HydrophobicContact CD1-CG 4.09Å; I328-R408 HydrophobicContact CD1-CG 3.48Å; I328-R408 VanDerWaalsContact CD1-CG 3.48Å; I328-R408 HydrophobicContact CG1-CG 3.58Å; I328-H655 HydrophobicContact CB-CB 4.42Å; I328-H655 HydrophobicContact CD1-CB 4.34Å; I328-H655 WeakPolarHBondContact CD1-O 3.39Å; I328-H655 HydrophobicContact CG2-CB 4.5Å; I328-P657 HydrophobicContact CG2-CB 4.27Å; I328-P657 HydrophobicContact CG2-CG 3.85Å
329	R	93.4	Very high	89.6	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.019	21%	0.214	C	C	.	.			trans	-73.5	99.9	163.8	-68.3	-173.1	-173.1	-84.2	0.2	109.1	L237 S239 D240 L242 S243 E247 L250 S274 L279	L237-R329 PolarHBondContact O-NH1 3.43Å; L237-R329 PolarHBondContact O-NH2 3.09Å; L237-R329 VanDerWaalsContact O-NH2 3.12Å; S239-R329 PolarHBondContact O-NH1 3.2Å; D240-R329 CarbonylContact O-C 3.52Å; L242-R329 WeakPolarHBondContact O-CD 3.4Å; S243-R329 VanDerWaalsContact CB-O 3.25Å; S243-R329 WeakPolarHBondContact CB-O 3.45Å; E247-R329 IonicContact OE1-CZ 3.82Å; E247-R329 IonicContact OE1-NE 2.71Å; E247-R329 IonicContact OE1-NH2 2.86Å; E247-R329 PolarHBondContact OE1-NH2 3.11Å; E247-R329 IonicContact OE2-CZ 3.46Å; E247-R329 IonicContact OE2-NE 2.85Å; E247-R329 PolarHBondContact OE2-NE 2.84Å; E247-R329 IonicContact OE2-NH2 3.89Å; E247-R329 PolarHBondContact OE2-NH2 3.23Å; L250-R329 VanDerWaalsContact CD1-NE 3.35Å; S274-R329 PolarHBondContact O-NH2 3.24Å; S274-R329 VanDerWaalsContact O-NH2 3.14Å; L279-R329 HydrophobicContact CD1-CG 4.48Å
330	S	91.4	Very high	87.9	Confident	8 Å²	8	46 Å²	46	6%	0.056	22%	0.218	C	C	.	.			trans	-162.1	106.7	-177.3	-177.9	0	0	0	0	110.1	D240 I328 R332 H655 F656	D240-S330 PolarHBondContact O-N 3.38Å; I328-S330 PolarHBondContact O-N 3.11Å; S330-R332 PolarHBondContact O-N 2.67Å; S330-R332 PolarHBondContact OG-O 3.48Å; S330-H655 WeakPolarHBondContact CB-ND1 3.5Å; S330-H655 PolarHBondContact O-CE1 3.39Å; S330-H655 PolarHBondContact O-ND1 3.16Å; S330-H655 VanDerWaalsContact O-ND1 3.09Å; S330-H655 PolarHBondContact OG-ND1 3.42Å; S330-F656 WeakPolarHBondContact CB-O 3.28Å; S330-F656 PolarHBondContact OG-O 2.98Å; S330-F656 VanDerWaalsContact OG-O 3.11Å
331	V	89.3	Confident	86.4	Confident	87 Å²	87	45.6 Å²	45.6	53%	0.527	22%	0.216	S	C	.	.	S	Bend	trans	-62.6	-29.1	-173.8	-173.2	0	0	0	0	112.8	D240 A241	D240-V331 HydrophobicContact CB-CG2 4.26Å; A241-V331 HydrophobicContact CB-CG2 3.85Å
332	R	87	Confident	84.7	Confident	154 Å²	154	46.6 Å²	46.6	58%	0.581	22%	0.22	S	C	*	.	S	Bend	trans	-146.3	142	-179.1	-60.1	-177	-179	119.4	1.5	110.4	S330	S330-R332 PolarHBondContact O-N 2.67Å; S330-R332 PolarHBondContact OG-O 3.48Å
333	P	90	Very high	83.4	Confident	52 Å²	52	40.3 Å²	40.3	34%	0.338	20%	0.196	S	C	.	.			trans	-69.1	158.4	169.7	31.9	-34.7	0	0	0	110.7	L654	P333-L654 CarbonylContact C-O 3.36Å; P333-L654 WeakPolarHBondContact CA-O 3.33Å
334	Q	89.1	Confident	81.7	Confident	27 Å²	27	47 Å²	47	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.7	174.5	-55.2	-173.9	1.6	0	0	109.1	A336 S653 L654 F656	Q334-A336 PolarHBondContact O-N 3.11Å; Q334-S653 WeakPolarHBondContact O-CA 3.24Å; Q334-L654 PolarHBondContact N-O 2.83Å; Q334-L654 PolarHBondContact O-N 3.34Å; Q334-F656 HydrophobicContact CB-CD2 4.33Å; Q334-F656 HydrophobicContact CG-CD2 4.49Å
335	T	91.5	Very high	80.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	111.2	172.3	-53.1	0	0	0	0	108.3	L354 A602 L611 V651 C652	T335-L354 PolarHBondContact O-N 3.25Å; T335-A602 HydrophobicContact CG2-CB 4.19Å; T335-L611 HydrophobicContact CG2-CD2 4.46Å; T335-V651 HydrophobicContact CG2-CG1 3.49Å; T335-V651 VanDerWaalsContact CG2-CG1 3.49Å; T335-C652 CarbonylContact C-O 3.6Å; T335-C652 WeakPolarHBondContact CA-O 3.28Å
336	A	90.5	Very high	78.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.5	-178.4	0	0	0	0	0	110.3	Q334 F338 I351 L353 V651 C652 L654 F656	Q334-A336 PolarHBondContact O-N 3.11Å; A336-F338 HydrophobicContact CB-CD2 4.4Å; A336-F338 HydrophobicContact CB-CE2 3.96Å; A336-I351 HydrophobicContact CB-CG2 4.1Å; A336-L353 HydrophobicContact CB-CD2 3.74Å; A336-V651 WeakPolarHBondContact O-CA 3.47Å; A336-C652 PolarHBondContact N-O 2.61Å; A336-C652 PolarHBondContact O-N 2.56Å; A336-L654 HydrophobicContact CB-CD1 4.47Å; A336-F656 HydrophobicContact CB-CE2 4.22Å; A336-F656 HydrophobicContact CB-CZ 4.26Å
337	V	89.3	Confident	76.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111.8	170.3	-177.1	0	0	0	0	107.4	I351 L352 W360 L611 L649 V651	V337-I351 WeakPolarHBondContact O-CA 3.46Å; V337-L352 HydrophobicContact CB-CB 4.13Å; V337-L352 PolarHBondContact N-O 2.76Å; V337-L352 PolarHBondContact O-N 2.99Å; V337-W360 HydrophobicContact CG2-CH2 3.69Å; V337-W360 HydrophobicContact CG2-CZ3 3.94Å; V337-L611 HydrophobicContact CG2-CD2 4Å; V337-L649 HydrophobicContact CG1-CD2 3.5Å; V337-V651 HydrophobicContact CB-CG2 4.37Å; V337-V651 HydrophobicContact CG1-CG2 4.18Å; V337-V651 HydrophobicContact CG2-CG1 4.11Å; V337-V651 HydrophobicContact CG2-CG2 3.96Å
338	F	80.1	Confident	74.7	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-38.7	-173.5	-90	-91.5	0	0	0	113.3	A336 I351 L375 A382 Y405 W412 Q650 C652 L654	A336-F338 HydrophobicContact CB-CD2 4.4Å; A336-F338 HydrophobicContact CB-CE2 3.96Å; F338-I351 HydrophobicContact CD1-CD1 3.95Å; F338-I351 HydrophobicContact CD1-CG1 3.98Å; F338-I351 HydrophobicContact CE1-CD1 3.52Å; F338-I351 HydrophobicContact CE1-CG1 4.07Å; F338-I351 HydrophobicContact CZ-CD1 4.16Å; F338-L375 HydrophobicContact CD2-CD2 4.32Å; F338-A382 HydrophobicContact CE1-CB 4.3Å; F338-A382 HydrophobicContact CE2-CB 4.01Å; F338-A382 HydrophobicContact CZ-CB 3.71Å; F338-Y405 AromaticContact CE1-CD1 3.74Å; F338-Y405 HydrophobicContact CE1-CD1 3.74Å; F338-Y405 HydrophobicContact CE1-CD2 4.44Å; F338-Y405 HydrophobicContact CE1-CE1 4.16Å; F338-Y405 AromaticContact CE1-CG 3.88Å; F338-Y405 HydrophobicContact CE1-CG 3.88Å; F338-Y405 AromaticContact CZ-CD1 3.61Å; F338-Y405 HydrophobicContact CZ-CD1 3.61Å; F338-Y405 HydrophobicContact CZ-CE1 4.01Å; F338-Y405 HydrophobicContact CZ-CG 4.2Å; F338-W412 AromaticContact CD1-CH2 3.67Å; F338-W412 HydrophobicContact CD1-CH2 3.67Å; F338-W412 AromaticContact CD1-CZ2 3.67Å; F338-W412 HydrophobicContact CD1-CZ2 3.67Å; F338-W412 AromaticContact CE1-CH2 3.65Å; F338-W412 HydrophobicContact CE1-CH2 3.65Å; F338-W412 AromaticContact CE1-CZ2 3.67Å; F338-W412 HydrophobicContact CE1-CZ2 3.67Å; F338-Q650 PolarHBondContact N-O 3.02Å; F338-C652 VanDerWaalsContact CE2-SG 3.59Å; F338-L654 HydrophobicContact CE2-CD1 3.64Å; F338-L654 HydrophobicContact CZ-CD1 3.64Å
339	R	69.4	Low	73.1	Confident	24 Å²	24	48.1 Å²	48.1	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	161.5	-178.4	-68.2	-175.9	-179.2	-102.5	-28.5	111.6	M346 S349 V368 L370 P372 L649	R339-M346 PolarHBondContact NH1-SD 2.88Å; R339-S349 PolarHBondContact NH2-OG 2.84Å; R339-V368 PolarHBondContact NH1-O 2.91Å; R339-V368 PolarHBondContact NH2-O 3.34Å; R339-L370 PolarHBondContact NH1-O 3.01Å; R339-P372 VanDerWaalsContact CD-CD 3.44Å; R339-L649 WeakPolarHBondContact O-CD2 3.18Å
340	G	60.7	Low	72.4	Confident	9 Å²	9	49.1 Å²	49.1	9%	0.093	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	174.7	156.8	0	0	0	0	0	111.3	D647	G340-D647 CarbonylContact C-O 3.59Å; G340-D647 WeakPolarHBondContact CA-O 3.28Å
341	M	62.1	Low	72.1	Confident	39 Å²	39	48.9 Å²	48.9	19%	0.192	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	157.5	-178.8	-48.4	-178	-70.2	0	0	112.9	G343 R371 L646 D647	M341-G343 WeakPolarHBondContact CB-O 3.42Å; M341-R371 WeakPolarHBondContact SD-CD 3.29Å; M341-L646 WeakPolarHBondContact O-CA 3.35Å; M341-L646 WeakPolarHBondContact O-CD2 3.28Å; M341-D647 WeakPolarHBondContact CE-OD1 3.42Å; M341-D647 WeakPolarHBondContact CE-OD2 3.47Å; M341-D647 PolarHBondContact N-O 2.78Å
342	I	57.1	Low	72	Confident	90 Å²	90	45.3 Å²	45.3	46%	0.462	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	95.7	159.6	-70.7	169	0	0	0	106.9	H344 S345 V347 C644 K645 L646	I342-H344 PolarHBondContact O-N 2.64Å; I342-S345 PolarHBondContact N-O 3.15Å; I342-S345 PolarHBondContact O-N 3.24Å; I342-S345 VanDerWaalsContact O-N 3.16Å; I342-V347 HydrophobicContact CB-CG2 4.01Å; I342-V347 HydrophobicContact CD1-CG2 3.62Å; I342-V347 HydrophobicContact CG1-CG2 3.56Å; I342-C644 HydrophobicContact CD1-CB 4.43Å; I342-K645 WeakPolarHBondContact CG1-O 3.33Å; I342-L646 HydrophobicContact CG1-CD2 4.11Å
343	G	58.5	Low	72.1	Confident	18 Å²	18	38 Å²	38	19%	0.186	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-130	-169.9	0	0	0	0	0	111	M341 S345	M341-G343 WeakPolarHBondContact CB-O 3.42Å; G343-S345 VanDerWaalsContact C-N 3.28Å; G343-S345 PolarHBondContact O-N 2.81Å
344	H	54.2	Low	72	Confident	182 Å²	182	36 Å²	36	84%	0.843	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-0.9	179.5	-55.1	-66.4	0	0	0	114.4	I342	I342-H344 PolarHBondContact O-N 2.64Å
345	S	56.5	Low	71.6	Confident	82 Å²	82	35.7 Å²	35.7	57%	0.573	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.8	-179.4	-164.4	0	0	0	0	111.3	I342 G343 V347	I342-S345 PolarHBondContact N-O 3.15Å; I342-S345 PolarHBondContact O-N 3.24Å; I342-S345 VanDerWaalsContact O-N 3.16Å; G343-S345 VanDerWaalsContact C-N 3.28Å; G343-S345 PolarHBondContact O-N 2.81Å; S345-V347 PolarHBondContact O-N 2.91Å
346	M	58.4	Low	70.6	Confident	78 Å²	78	42 Å²	42	38%	0.384	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	117.8	172.2	-177.6	162.5	64.8	0	0	109.2	R339	R339-M346 PolarHBondContact NH1-SD 2.88Å
347	V	54	Low	69.8	Low	47 Å²	47	47.3 Å²	47.3	29%	0.285	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-69.2	140.4	175.2	-172.8	0	0	0	0	109.1	I342 S345 L646	I342-V347 HydrophobicContact CB-CG2 4.01Å; I342-V347 HydrophobicContact CD1-CG2 3.62Å; I342-V347 HydrophobicContact CG1-CG2 3.56Å; S345-V347 PolarHBondContact O-N 2.91Å; V347-L646 HydrophobicContact CB-CD2 4.37Å; V347-L646 HydrophobicContact CG2-CD2 3.75Å
348	N	52.7	Low	69.5	Low	93 Å²	93	51.2 Å²	51.2	50%	0.497	27%	0.268	S	S	.	.			trans	-36.5	136.5	179.1	-165.6	-10.8	0	0	0	113.1	K350 Q367	N348-K350 HydrophobicContact CB-CD 3.97Å; N348-K350 VanDerWaalsContact ND2-CE 3.33Å; N348-K350 WeakPolarHBondContact ND2-CE 3.47Å; N348-K350 PolarHBondContact O-N 2.87Å; N348-Q367 PolarHBondContact OD1-NE2 2.91Å; N348-Q367 VanDerWaalsContact OD1-NE2 3.12Å
349	S	60.8	Low	69.8	Low	8 Å²	8	52.3 Å²	52.3	6%	0.056	28%	0.275	C	S	.	.	S	Bend	trans	-69.8	41.8	-169.1	-50.2	0	0	0	0	116	R339 Q367	R339-S349 PolarHBondContact NH2-OG 2.84Å; S349-Q367 PolarHBondContact OG-OE1 3.22Å
350	K	77	Confident	70.8	Confident	25 Å²	25	51.7 Å²	51.7	11%	0.109	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.1	168.6	-69.9	104	160.8	-61.7	0	110.9	N348 E362 L363 E364	N348-K350 HydrophobicContact CB-CD 3.97Å; N348-K350 VanDerWaalsContact ND2-CE 3.33Å; N348-K350 WeakPolarHBondContact ND2-CE 3.47Å; N348-K350 PolarHBondContact O-N 2.87Å; K350-E362 HydrophobicContact CB-CG 3.54Å; K350-E362 HydrophobicContact CD-CG 4.35Å; K350-E362 WeakPolarHBondContact CD-OE1 3.31Å; K350-E362 WeakPolarHBondContact CE-OE1 3.4Å; K350-E362 HydrophobicContact CG-CG 3.69Å; K350-E362 WeakPolarHBondContact CG-OE1 3.3Å; K350-E362 IonicContact NZ-OE1 3.77Å; K350-E362 PolarHBondContact NZ-OE1 2.92Å; K350-E362 IonicContact NZ-OE2 3.94Å; K350-E362 PolarHBondContact NZ-OE2 3.05Å; K350-L363 CarbonylContact C-O 3.58Å; K350-L363 VanDerWaalsContact CA-O 3.28Å; K350-L363 WeakPolarHBondContact CA-O 3.37Å; K350-L363 WeakPolarHBondContact CB-O 3.41Å; K350-E364 WeakPolarHBondContact CE-OE1 3.14Å; K350-E364 HydrophobicContact CG-CB 4.43Å; K350-E364 HydrophobicContact CG-CG 3.92Å; K350-E364 IonicContact NZ-OE1 2.69Å; K350-E364 PolarHBondContact NZ-OE1 2.84Å
351	I	85.4	Confident	72.1	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.3	171.1	-57.9	167.9	0	0	0	106.8	A336 V337 F338 L353 L363 Y405	A336-I351 HydrophobicContact CB-CG2 4.1Å; V337-I351 WeakPolarHBondContact O-CA 3.46Å; F338-I351 HydrophobicContact CD1-CD1 3.95Å; F338-I351 HydrophobicContact CD1-CG1 3.98Å; F338-I351 HydrophobicContact CE1-CD1 3.52Å; F338-I351 HydrophobicContact CE1-CG1 4.07Å; F338-I351 HydrophobicContact CZ-CD1 4.16Å; I351-L353 HydrophobicContact CG2-CD2 3.77Å; I351-L353 HydrophobicContact CG2-CG 4.4Å; I351-L363 HydrophobicContact CB-CB 4.41Å; I351-L363 HydrophobicContact CD1-CD2 4.49Å; I351-L363 PolarHBondContact N-O 2.91Å; I351-L363 PolarHBondContact O-N 3.3Å; I351-Y405 HydrophobicContact CD1-CD2 4.44Å; I351-Y405 HydrophobicContact CD1-CE1 3.92Å; I351-Y405 HydrophobicContact CD1-CE2 3.77Å; I351-Y405 VanDerWaalsContact CD1-CZ 3.47Å
352	L	88.1	Confident	73.2	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.068	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.5	174.2	-49.2	174.4	0	0	0	108.7	V337 W360 E362 L646	V337-L352 HydrophobicContact CB-CB 4.13Å; V337-L352 PolarHBondContact N-O 2.76Å; V337-L352 PolarHBondContact O-N 2.99Å; L352-W360 HydrophobicContact CB-CE3 3.85Å; L352-W360 HydrophobicContact CB-CZ3 3.69Å; L352-E362 HydrophobicContact CD2-CB 4.47Å; L352-E362 HydrophobicContact CD2-CG 4.12Å; L352-L646 HydrophobicContact CD1-CD1 3.98Å
353	L	89.5	Confident	74.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.8	-178.2	-58.8	177	0	0	0	109.4	A336 I351 Q355 W361 L363 F656 L661	A336-L353 HydrophobicContact CB-CD2 3.74Å; I351-L353 HydrophobicContact CG2-CD2 3.77Å; I351-L353 HydrophobicContact CG2-CG 4.4Å; L353-Q355 HydrophobicContact CB-CG 4.37Å; L353-W361 HydrophobicContact CB-CB 4.16Å; L353-W361 PolarHBondContact N-O 2.91Å; L353-W361 PolarHBondContact O-N 2.87Å; L353-L363 HydrophobicContact CD1-CB 3.98Å; L353-L363 HydrophobicContact CD1-CD2 4.21Å; L353-L363 HydrophobicContact CG-CB 4.49Å; L353-F656 HydrophobicContact CD2-CD2 4.43Å; L353-F656 HydrophobicContact CD2-CE1 4.43Å; L353-F656 HydrophobicContact CD2-CE2 3.6Å; L353-F656 HydrophobicContact CD2-CZ 3.61Å; L353-L661 HydrophobicContact CD1-CD2 3.51Å
354	L	87.4	Confident	75.3	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	104	171.9	-179.3	57.4	0	0	0	109.1	T335 W360 M609 I624 Y639 P640	T335-L354 PolarHBondContact O-N 3.25Å; L354-W360 HydrophobicContact CB-CD2 4.32Å; L354-W360 HydrophobicContact CB-CE3 4.07Å; L354-W360 HydrophobicContact CB-CH2 3.81Å; L354-W360 HydrophobicContact CB-CZ2 4.05Å; L354-W360 HydrophobicContact CB-CZ3 3.81Å; L354-W360 HydrophobicContact CD1-CD2 4.17Å; L354-W360 HydrophobicContact CD1-CG 4.45Å; L354-W360 HydrophobicContact CD1-CZ2 4.27Å; L354-W360 HydrophobicContact CD2-CH2 4.45Å; L354-W360 HydrophobicContact CD2-CZ2 4.1Å; L354-W360 HydrophobicContact CG-CZ2 4.38Å; L354-M609 HydrophobicContact CD2-CE 3.75Å; L354-I624 HydrophobicContact CD2-CD1 4.21Å; L354-Y639 HydrophobicContact CD2-CD1 3.83Å; L354-Y639 HydrophobicContact CD2-CE1 4.35Å; L354-P640 HydrophobicContact CD1-CG 3.91Å
355	Q	79.9	Confident	75.9	Confident	22 Å²	22	48.4 Å²	48.4	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	168	-176.9	-62.3	-162.9	-1.1	0	0	112.4	L353 P357 K358 V359 W361	L353-Q355 HydrophobicContact CB-CG 4.37Å; Q355-P357 CarbonylContact O-C 3.47Å; Q355-K358 CarbonylContact O-C 3.55Å; Q355-K358 WeakPolarHBondContact O-CA 3.39Å; Q355-K358 PolarHBondContact O-N 3.31Å; Q355-V359 PolarHBondContact N-O 2.63Å; Q355-V359 PolarHBondContact O-N 3.37Å; Q355-W361 HydrophobicContact CB-CG 4.44Å; Q355-W361 VanDerWaalsContact CD-CD2 3.43Å; Q355-W361 HydrophobicContact CG-CB 4.26Å; Q355-W361 HydrophobicContact CG-CD2 4.26Å; Q355-W361 HydrophobicContact CG-CG 3.97Å
356	R	71	Confident	76.2	Confident	132 Å²	132	47.2 Å²	47.2	50%	0.498	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	141.5	171.9	-75.5	-176	172.5	-176.1	-0.7	110.6	D605	R356-D605 IonicContact CZ-OD1 3.62Å; R356-D605 IonicContact CZ-OD2 2.79Å; R356-D605 IonicContact NH2-OD1 2.66Å; R356-D605 PolarHBondContact NH2-OD1 2.76Å; R356-D605 IonicContact NH2-OD2 2.83Å; R356-D605 PolarHBondContact NH2-OD2 2.82Å
357	P	73.2	Confident	76.7	Confident	113 Å²	113	49.5 Å²	49.5	73%	0.734	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	cis	-61.2	146.3	-9.8	29.1	-35.8	0	0	0	110.6	Q355 V359	Q355-P357 CarbonylContact O-C 3.47Å; P357-V359 WeakPolarHBondContact O-CB 2.95Å; P357-V359 VanDerWaalsContact O-CG2 3.29Å; P357-V359 WeakPolarHBondContact O-CG2 3.36Å; P357-V359 PolarHBondContact O-N 2.93Å
358	K	83.1	Confident	77.4	Confident	83 Å²	83	47.5 Å²	47.5	36%	0.361	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	93.4	-162.6	-58.4	-179.3	176.3	-163.6	0	112.8	Q355 E638 Y639 P640	Q355-K358 CarbonylContact O-C 3.55Å; Q355-K358 WeakPolarHBondContact O-CA 3.39Å; Q355-K358 PolarHBondContact O-N 3.31Å; K358-E638 WeakPolarHBondContact CD-O 3.18Å; K358-E638 WeakPolarHBondContact CE-O 3.48Å; K358-E638 PolarHBondContact NZ-O 2.89Å; K358-Y639 HydrophobicContact CB-CD1 4.29Å; K358-Y639 HydrophobicContact CD-CD1 3.45Å; K358-Y639 VanDerWaalsContact CD-CD1 3.45Å; K358-Y639 HydrophobicContact CD-CD2 4.5Å; K358-Y639 HydrophobicContact CD-CE1 3.63Å; K358-Y639 HydrophobicContact CD-CG 3.93Å; K358-Y639 VanDerWaalsContact CE-CE1 3.41Å; K358-Y639 HydrophobicContact CG-CD1 3.86Å; K358-Y639 HydrophobicContact CG-CE1 3.97Å; K358-Y639 VanDerWaalsContact NZ-CZ 3.26Å; K358-P640 HydrophobicContact CB-CG 4.41Å; K358-P640 WeakPolarHBondContact O-CG 3.33Å
359	V	87.6	Confident	78	Confident	28 Å²	28	47 Å²	47	17%	0.17	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.9	-174.2	170.2	0	0	0	0	109.8	Q355 P357 R666	Q355-V359 PolarHBondContact N-O 2.63Å; Q355-V359 PolarHBondContact O-N 3.37Å; P357-V359 WeakPolarHBondContact O-CB 2.95Å; P357-V359 VanDerWaalsContact O-CG2 3.29Å; P357-V359 WeakPolarHBondContact O-CG2 3.36Å; P357-V359 PolarHBondContact O-N 2.93Å; V359-R666 HydrophobicContact CG1-CG 3.84Å
360	W	88.8	Confident	78.3	Confident	12 Å²	12	46.7 Å²	46.7	5%	0.045	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.3	177.6	-75.3	105.6	0	0	0	113.3	V337 L352 L354 L611 I624 P640 R641 M642 P643 C667	V337-W360 HydrophobicContact CG2-CH2 3.69Å; V337-W360 HydrophobicContact CG2-CZ3 3.94Å; L352-W360 HydrophobicContact CB-CE3 3.85Å; L352-W360 HydrophobicContact CB-CZ3 3.69Å; L354-W360 HydrophobicContact CB-CD2 4.32Å; L354-W360 HydrophobicContact CB-CE3 4.07Å; L354-W360 HydrophobicContact CB-CH2 3.81Å; L354-W360 HydrophobicContact CB-CZ2 4.05Å; L354-W360 HydrophobicContact CB-CZ3 3.81Å; L354-W360 HydrophobicContact CD1-CD2 4.17Å; L354-W360 HydrophobicContact CD1-CG 4.45Å; L354-W360 HydrophobicContact CD1-CZ2 4.27Å; L354-W360 HydrophobicContact CD2-CH2 4.45Å; L354-W360 HydrophobicContact CD2-CZ2 4.1Å; L354-W360 HydrophobicContact CG-CZ2 4.38Å; W360-L611 HydrophobicContact CH2-CD2 3.87Å; W360-L611 HydrophobicContact CZ2-CD2 4.1Å; W360-I624 HydrophobicContact CZ2-CD1 3.77Å; W360-P640 PolarHBondContact NE1-O 2.59Å; W360-R641 PolarHBondContact NE1-O 2.7Å; W360-M642 HydrophobicContact CH2-CG 4.39Å; W360-M642 HydrophobicContact CZ2-CG 3.74Å; W360-P643 HydrophobicContact CB-CG 3.62Å; W360-P643 HydrophobicContact CD2-CG 4.45Å; W360-P643 HydrophobicContact CG-CG 3.94Å; W360-C667 HydrophobicContact CB-CB 4.28Å; W360-C667 PolarHBondContact O-N 2.7Å
361	W	87.6	Confident	78.2	Confident	74 Å²	74	47.6 Å²	47.6	28%	0.28	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.2	-176.2	-80	57	0	0	0	108.8	L353 Q355 V664 R665	L353-W361 HydrophobicContact CB-CB 4.16Å; L353-W361 PolarHBondContact N-O 2.91Å; L353-W361 PolarHBondContact O-N 2.87Å; Q355-W361 HydrophobicContact CB-CG 4.44Å; Q355-W361 VanDerWaalsContact CD-CD2 3.43Å; Q355-W361 HydrophobicContact CG-CB 4.26Å; Q355-W361 HydrophobicContact CG-CD2 4.26Å; Q355-W361 HydrophobicContact CG-CG 3.97Å; W361-V664 HydrophobicContact CB-CG1 3.68Å; W361-V664 HydrophobicContact CD2-CG1 4.15Å; W361-V664 HydrophobicContact CE3-CB 3.75Å; W361-V664 HydrophobicContact CE3-CG1 3.48Å; W361-V664 VanDerWaalsContact CE3-CG1 3.48Å; W361-V664 HydrophobicContact CG-CG1 4.29Å; W361-V664 HydrophobicContact CZ3-CB 4.24Å; W361-V664 HydrophobicContact CZ3-CG1 4.43Å; W361-R665 CarbonylContact C-O 3.53Å; W361-R665 WeakPolarHBondContact CA-O 3.43Å
362	E	86.5	Confident	77.3	Confident	60 Å²	60	47.6 Å²	47.6	28%	0.28	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.7	-173	-171.3	-168.3	-148.7	0	0	111.7	K350 L352 V664 R665	K350-E362 HydrophobicContact CB-CG 3.54Å; K350-E362 HydrophobicContact CD-CG 4.35Å; K350-E362 WeakPolarHBondContact CD-OE1 3.31Å; K350-E362 WeakPolarHBondContact CE-OE1 3.4Å; K350-E362 HydrophobicContact CG-CG 3.69Å; K350-E362 WeakPolarHBondContact CG-OE1 3.3Å; K350-E362 IonicContact NZ-OE1 3.77Å; K350-E362 PolarHBondContact NZ-OE1 2.92Å; K350-E362 IonicContact NZ-OE2 3.94Å; K350-E362 PolarHBondContact NZ-OE2 3.05Å; L352-E362 HydrophobicContact CD2-CB 4.47Å; L352-E362 HydrophobicContact CD2-CG 4.12Å; E362-V664 WeakPolarHBondContact O-CG1 3.42Å; E362-R665 PolarHBondContact N-O 2.86Å; E362-R665 PolarHBondContact O-N 3.17Å
363	L	84.3	Confident	76.6	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.8	179.4	175.7	63.5	0	0	0	110.3	K350 I351 L353 G365 Y405 F656 V664	K350-L363 CarbonylContact C-O 3.58Å; K350-L363 VanDerWaalsContact CA-O 3.28Å; K350-L363 WeakPolarHBondContact CA-O 3.37Å; K350-L363 WeakPolarHBondContact CB-O 3.41Å; I351-L363 HydrophobicContact CB-CB 4.41Å; I351-L363 HydrophobicContact CD1-CD2 4.49Å; I351-L363 PolarHBondContact N-O 2.91Å; I351-L363 PolarHBondContact O-N 3.3Å; L353-L363 HydrophobicContact CD1-CB 3.98Å; L353-L363 HydrophobicContact CD1-CD2 4.21Å; L353-L363 HydrophobicContact CG-CB 4.49Å; L363-G365 PolarHBondContact O-N 2.68Å; L363-Y405 VanDerWaalsContact CD2-OH 3.31Å; L363-Y405 WeakPolarHBondContact CD2-OH 3.45Å; L363-F656 HydrophobicContact CD2-CD1 4.38Å; L363-F656 HydrophobicContact CD2-CE1 3.9Å; L363-V664 HydrophobicContact CB-CG2 3.89Å; L363-V664 HydrophobicContact CD1-CG2 3.47Å; L363-V664 VanDerWaalsContact CD1-CG2 3.47Å; L363-V664 HydrophobicContact CG-CG2 4.23Å
364	E	75.8	Confident	76.5	Confident	119 Å²	119	49 Å²	49	56%	0.556	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	107.3	174.4	-56.8	-159.3	144.7	0	0	109.9	K350 N410	K350-E364 WeakPolarHBondContact CE-OE1 3.14Å; K350-E364 HydrophobicContact CG-CB 4.43Å; K350-E364 HydrophobicContact CG-CG 3.92Å; K350-E364 IonicContact NZ-OE1 2.69Å; K350-E364 PolarHBondContact NZ-OE1 2.84Å; E364-N410 PolarHBondContact O-ND2 2.83Å
365	G	65.4	Low	76.7	Confident	10 Å²	10	50 Å²	50	10%	0.103	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-94.8	161.9	176.2	0	0	0	0	0	112.5	L363 Q367	L363-G365 PolarHBondContact O-N 2.68Å; G365-Q367 PolarHBondContact O-N 3.37Å
366	P	63.5	Low	77.4	Confident	58 Å²	58	49.1 Å²	49.1	38%	0.377	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-59.1	136	170.8	-14.5	23.1	0	0	0	110.7	V368 N410 W412	P366-V368 PolarHBondContact O-N 3.27Å; P366-N410 WeakPolarHBondContact CD-O 3.45Å; P366-N410 WeakPolarHBondContact CG-O 3.22Å; P366-W412 PolarHBondContact O-NE1 2.9Å
367	Q	68.2	Low	78.6	Confident	126 Å²	126	45.8 Å²	45.8	59%	0.589	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-72	126.6	-172	-61.9	-77.1	-29	0	0	111	N348 S349 G365	N348-Q367 PolarHBondContact OD1-NE2 2.91Å; N348-Q367 VanDerWaalsContact OD1-NE2 3.12Å; S349-Q367 PolarHBondContact OG-OE1 3.22Å; G365-Q367 PolarHBondContact O-N 3.37Å
368	V	69.2	Low	79.6	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.03	21%	0.206	C	C	.	.			trans	-115	127	173.6	-177.4	0	0	0	0	108.7	R339 P366 L370 Y403 W412	R339-V368 PolarHBondContact NH1-O 2.91Å; R339-V368 PolarHBondContact NH2-O 3.34Å; P366-V368 PolarHBondContact O-N 3.27Å; V368-L370 HydrophobicContact CG1-CB 3.87Å; V368-L370 PolarHBondContact O-N 3.01Å; V368-Y403 HydrophobicContact CG1-CD1 3.97Å; V368-Y403 HydrophobicContact CG1-CD2 3.57Å; V368-Y403 HydrophobicContact CG1-CE1 3.93Å; V368-Y403 HydrophobicContact CG1-CE2 3.54Å; V368-Y403 HydrophobicContact CG1-CG 3.78Å; V368-Y403 HydrophobicContact CG2-CD1 4.21Å; V368-Y403 HydrophobicContact CG2-CG 4.45Å; V368-W412 HydrophobicContact CG2-CB 4.36Å; V368-W412 HydrophobicContact CG2-CD2 3.98Å; V368-W412 HydrophobicContact CG2-CG 3.85Å
369	P	65.3	Low	80	Confident	82 Å²	82	40.9 Å²	40.9	53%	0.532	21%	0.211	S	C	.	.			trans	-84.1	43.9	-171.4	36.6	-38.5	0	0	0	112.8
370	L	68.4	Low	80.3	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.211	C	C	.	.			trans	-131.3	139.8	-167.9	-168.8	65.6	0	0	0	110.7	R339 V368 P372 G386 E389 Y403	R339-L370 PolarHBondContact NH1-O 3.01Å; V368-L370 HydrophobicContact CG1-CB 3.87Å; V368-L370 PolarHBondContact O-N 3.01Å; L370-P372 VanDerWaalsContact C-CD 3.4Å; L370-P372 HydrophobicContact CD2-CB 4.37Å; L370-P372 WeakPolarHBondContact O-CD 3.47Å; L370-G386 VanDerWaalsContact CD1-O 3.3Å; L370-G386 WeakPolarHBondContact CD1-O 3.47Å; L370-G386 WeakPolarHBondContact CD2-O 3.48Å; L370-G386 VanDerWaalsContact CG-O 3.32Å; L370-G386 WeakPolarHBondContact CG-O 3.47Å; L370-E389 HydrophobicContact CD1-CB 4.36Å; L370-Y403 HydrophobicContact CD2-CD2 3.96Å; L370-Y403 HydrophobicContact CD2-CE2 4.13Å
371	R	74.5	Confident	80.6	Confident	45 Å²	45	40.7 Å²	40.7	17%	0.17	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-100.9	85.3	163	170.3	162.2	48.8	80.9	-6.2	108	M341 G387 E388 F396	M341-R371 WeakPolarHBondContact SD-CD 3.29Å; R371-G387 CarbonylContact O-C 3.49Å; R371-G387 WeakPolarHBondContact O-CA 3.46Å; R371-E388 WeakPolarHBondContact CA-O 3.17Å; R371-E388 WeakPolarHBondContact CB-O 3.4Å; R371-E388 IonicContact CZ-OE2 2.7Å; R371-E388 PolarHBondContact N-O 2.89Å; R371-E388 IonicContact NH1-OE2 3.22Å; R371-E388 PolarHBondContact NH1-OE2 2.84Å; R371-E388 IonicContact NH2-OE2 2.79Å; R371-E388 PolarHBondContact NH2-OE2 3.16Å; R371-E388 PolarHBondContact O-N 2.9Å; R371-F396 VanDerWaalsContact NH2-CD1 3.28Å
372	P	65.9	Low	80.8	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.019	20%	0.197	C	C	.	.			trans	-72.9	125.8	-179.3	31.6	-38.2	0	0	0	112	R339 L370 C374 L384 G386 Q650	R339-P372 VanDerWaalsContact CD-CD 3.44Å; L370-P372 VanDerWaalsContact C-CD 3.4Å; L370-P372 HydrophobicContact CD2-CB 4.37Å; L370-P372 WeakPolarHBondContact O-CD 3.47Å; P372-C374 VanDerWaalsContact C-N 3.33Å; P372-L384 HydrophobicContact CB-CB 4.02Å; P372-L384 HydrophobicContact CB-CD2 4.08Å; P372-L384 HydrophobicContact CB-CG 4.46Å; P372-L384 HydrophobicContact CG-CB 4.3Å; P372-L384 HydrophobicContact CG-CD1 4.03Å; P372-L384 HydrophobicContact CG-CD2 3.79Å; P372-L384 HydrophobicContact CG-CG 4.25Å; P372-G386 WeakPolarHBondContact CA-O 3.25Å; P372-Q650 WeakPolarHBondContact O-CG 3.35Å; P372-Q650 PolarHBondContact O-NE2 3.43Å
373	D	73.5	Confident	81.2	Confident	32 Å²	32	34.4 Å²	34.4	17%	0.171	18%	0.183	C	C	.	.	S	Bend	trans	-86	-10.7	172.9	-59.4	-35.2	0	0	0	112.2	G387 S423 E424 Q650	D373-G387 WeakPolarHBondContact OD2-CA 3.5Å; D373-S423 WeakPolarHBondContact OD2-CA 3.33Å; D373-S423 VanDerWaalsContact OD2-CB 3.3Å; D373-S423 WeakPolarHBondContact OD2-CB 3.43Å; D373-E424 PolarHBondContact OD2-N 3.43Å; D373-Q650 PolarHBondContact O-NE2 3.37Å
374	C	88.1	Confident	81.5	Confident	9 Å²	9	34.1 Å²	34.1	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.7	-177.3	-83.1	0	0	0	0	113.4	P372 L385 F425 V427	P372-C374 VanDerWaalsContact C-N 3.33Å; C374-L385 HydrophobicContact CB-CB 4.36Å; C374-L385 PolarHBondContact O-N 3.46Å; C374-L385 VanDerWaalsContact O-N 3.17Å; C374-F425 HydrophobicContact CB-CE1 4.25Å; C374-F425 HydrophobicContact CB-CE2 4.21Å; C374-F425 HydrophobicContact CB-CZ 3.91Å; C374-F425 PolarHBondContact SG-O 3.23Å; C374-V427 HydrophobicContact CB-CB 4.16Å; C374-V427 HydrophobicContact CB-CG2 3.65Å
375	L	91.4	Very high	82.3	Confident	30 Å²	30	28.5 Å²	28.5	16%	0.157	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.2	175.6	171.4	65.8	0	0	0	109	F338 I377 A382 F383 L384 Q650 C652	F338-L375 HydrophobicContact CD2-CD2 4.32Å; L375-I377 HydrophobicContact CD1-CD1 3.88Å; L375-I377 HydrophobicContact CD2-CD1 4.38Å; L375-I377 HydrophobicContact CG-CD1 4.05Å; L375-A382 HydrophobicContact CD1-CB 3.85Å; L375-F383 CarbonylContact C-O 3.59Å; L375-F383 WeakPolarHBondContact CA-O 3.27Å; L375-L384 HydrophobicContact CD1-CD2 3.93Å; L375-Q650 HydrophobicContact CB-CB 4.03Å; L375-Q650 HydrophobicContact CB-CG 4.39Å; L375-Q650 HydrophobicContact CD2-CB 4.04Å; L375-C652 HydrophobicContact CD2-CB 3.87Å
376	A	94.7	Very high	83.5	Confident	5 Å²	5	28 Å²	28	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136	175.5	0	0	0	0	0	110.7	F383 L385 V427 V429 I434	A376-F383 HydrophobicContact CB-CB 4.32Å; A376-F383 PolarHBondContact N-O 3.11Å; A376-F383 PolarHBondContact O-N 2.77Å; A376-L385 HydrophobicContact CB-CD1 3.89Å; A376-V427 HydrophobicContact CB-CG1 3.77Å; A376-V429 HydrophobicContact CB-CG2 3.84Å; A376-I434 HydrophobicContact CB-CD1 4.4Å; A376-I434 HydrophobicContact CB-CG2 3.96Å
377	I	94.7	Very high	84.7	Confident	61 Å²	61	25.2 Å²	25.2	31%	0.313	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.3	-179.1	-50.9	-55.7	0	0	0	109.8	L375 F381 A382 C652 L654	L375-I377 HydrophobicContact CD1-CD1 3.88Å; L375-I377 HydrophobicContact CD2-CD1 4.38Å; L375-I377 HydrophobicContact CG-CD1 4.05Å; I377-F381 WeakPolarHBondContact CA-O 3.13Å; I377-A382 HydrophobicContact CD1-CB 3.72Å; I377-C652 HydrophobicContact CD1-CB 3.75Å; I377-C652 HydrophobicContact CG1-CB 3.86Å; I377-L654 HydrophobicContact CD1-CD2 4.42Å; I377-L654 HydrophobicContact CG2-CD2 4.17Å
378	V	95.1	Very high	85.5	Confident	8 Å²	8	20.2 Å²	20.2	5%	0.048	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	113.3	176.9	-161.4	0	0	0	0	107.9	P319 L320 N380 F381 F383 V429 I434 I454	P319-V378 HydrophobicContact CB-CB 4.03Å; P319-V378 HydrophobicContact CB-CG1 4.02Å; P319-V378 WeakPolarHBondContact O-CG1 3.28Å; L320-V378 HydrophobicContact CD2-CG1 3.98Å; V378-N380 VanDerWaalsContact C-N 3.3Å; V378-N380 PolarHBondContact O-N 3.33Å; V378-N380 VanDerWaalsContact O-N 3.14Å; V378-F381 PolarHBondContact N-O 3.08Å; V378-F381 WeakPolarHBondContact O-CB 3.36Å; V378-F381 WeakPolarHBondContact O-CD2 3.23Å; V378-F381 PolarHBondContact O-N 3.31Å; V378-F383 HydrophobicContact CB-CE2 4.05Å; V378-F383 HydrophobicContact CG2-CD2 3.93Å; V378-F383 HydrophobicContact CG2-CE2 3.72Å; V378-V429 HydrophobicContact CG2-CG1 4Å; V378-V429 HydrophobicContact CG2-CG2 4.08Å; V378-I434 HydrophobicContact CG2-CD1 4.16Å; V378-I434 HydrophobicContact CG2-CG1 4.48Å; V378-I454 HydrophobicContact CB-CD1 4.46Å; V378-I454 HydrophobicContact CG1-CD1 3.99Å; V378-I454 HydrophobicContact CG2-CD1 3.92Å
379	N	91.6	Very high	86.2	Confident	85 Å²	85	22.2 Å²	22.2	46%	0.455	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	34.7	57	-174.4	-61.1	-3.4	0	0	0	114.2	P319 F381	P319-N379 VanDerWaalsContact O-CB 3.25Å; P319-N379 WeakPolarHBondContact O-CB 3.46Å; P319-N379 VanDerWaalsContact O-CG 3.28Å; P319-N379 PolarHBondContact O-ND2 3.26Å; N379-F381 WeakPolarHBondContact O-CD2 3.15Å; N379-F381 PolarHBondContact O-N 2.9Å
380	N	93.5	Very high	87	Confident	31 Å²	31	23.4 Å²	23.4	17%	0.166	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	10.1	177.5	-151.9	88.4	0	0	0	116.2	I328 V378 P407 L654 H655	I328-N380 VanDerWaalsContact CD1-ND2 3.33Å; I328-N380 WeakPolarHBondContact CD1-ND2 3.41Å; V378-N380 VanDerWaalsContact C-N 3.3Å; V378-N380 PolarHBondContact O-N 3.33Å; V378-N380 VanDerWaalsContact O-N 3.14Å; N380-P407 WeakPolarHBondContact ND2-CG 3.43Å; N380-P407 WeakPolarHBondContact O-CD 3.12Å; N380-P407 WeakPolarHBondContact O-CG 3.25Å; N380-L654 HydrophobicContact CB-CD2 4.46Å; N380-H655 PolarHBondContact ND2-O 3.42Å; N380-H655 WeakPolarHBondContact OD1-CB 3.33Å; N380-H655 PolarHBondContact OD1-N 2.92Å
381	F	94.6	Very high	87.6	Confident	6 Å²	6	24 Å²	24	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.7	158.7	-62.8	-97.6	0	0	0	109.6	Q318 P319 I377 V378 N379 F383 R404 Y405 D406 R408	Q318-F381 HydrophobicContact CB-CE2 4.34Å; Q318-F381 HydrophobicContact CB-CZ 3.78Å; Q318-F381 WeakPolarHBondContact O-CE2 3.37Å; P319-F381 HydrophobicContact CB-CB 4.37Å; P319-F381 HydrophobicContact CB-CD2 3.56Å; P319-F381 HydrophobicContact CB-CE2 4.03Å; P319-F381 HydrophobicContact CB-CG 4.09Å; P319-F381 HydrophobicContact CG-CB 4.43Å; P319-F381 HydrophobicContact CG-CD1 4.43Å; P319-F381 HydrophobicContact CG-CD2 3.8Å; P319-F381 HydrophobicContact CG-CE2 4.08Å; P319-F381 HydrophobicContact CG-CG 3.97Å; P319-F381 HydrophobicContact CG-CZ 4.48Å; I377-F381 WeakPolarHBondContact CA-O 3.13Å; V378-F381 PolarHBondContact N-O 3.08Å; V378-F381 WeakPolarHBondContact O-CB 3.36Å; V378-F381 WeakPolarHBondContact O-CD2 3.23Å; V378-F381 PolarHBondContact O-N 3.31Å; N379-F381 WeakPolarHBondContact O-CD2 3.15Å; N379-F381 PolarHBondContact O-N 2.9Å; F381-F383 HydrophobicContact CB-CE2 4.15Å; F381-R404 HydrophobicContact CB-CG 4.13Å; F381-R404 HydrophobicContact CD1-CG 4.16Å; F381-Y405 WeakPolarHBondContact CD1-O 3.47Å; F381-D406 HydrophobicContact CD1-CB 4.33Å; F381-D406 HydrophobicContact CE1-CB 4.15Å; F381-R408 VanDerWaalsContact CZ-NH2 3.27Å
382	A	93.5	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	175.4	0	0	0	0	0	110.6	F338 L375 I377 R404 Y405 L654	F338-A382 HydrophobicContact CE1-CB 4.3Å; F338-A382 HydrophobicContact CE2-CB 4.01Å; F338-A382 HydrophobicContact CZ-CB 3.71Å; L375-A382 HydrophobicContact CD1-CB 3.85Å; I377-A382 HydrophobicContact CD1-CB 3.72Å; A382-R404 CarbonylContact O-C 3.54Å; A382-R404 WeakPolarHBondContact O-CA 3.46Å; A382-Y405 PolarHBondContact N-O 2.8Å; A382-Y405 PolarHBondContact O-N 3.01Å; A382-L654 HydrophobicContact CB-CD1 4.19Å
383	F	94	Very high	88.8	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.5	174	-68.3	-105.1	0	0	0	109.2	P319 L375 A376 V378 F381 L385 V402 Y403 R404 M415 I434 Y452 I454	P319-F383 HydrophobicContact CB-CE2 4.42Å; P319-F383 HydrophobicContact CG-CE2 4.31Å; P319-F383 HydrophobicContact CG-CZ 4.08Å; L375-F383 CarbonylContact C-O 3.59Å; L375-F383 WeakPolarHBondContact CA-O 3.27Å; A376-F383 HydrophobicContact CB-CB 4.32Å; A376-F383 PolarHBondContact N-O 3.11Å; A376-F383 PolarHBondContact O-N 2.77Å; V378-F383 HydrophobicContact CB-CE2 4.05Å; V378-F383 HydrophobicContact CG2-CD2 3.93Å; V378-F383 HydrophobicContact CG2-CE2 3.72Å; F381-F383 HydrophobicContact CB-CE2 4.15Å; F383-L385 HydrophobicContact CB-CD1 4.03Å; F383-L385 VanDerWaalsContact O-CD1 3.3Å; F383-L385 WeakPolarHBondContact O-CD1 3.42Å; F383-V402 HydrophobicContact CD1-CG1 4.36Å; F383-Y403 CarbonylContact C-O 3.47Å; F383-Y403 WeakPolarHBondContact CA-O 3.24Å; F383-R404 HydrophobicContact CD1-CB 3.97Å; F383-R404 HydrophobicContact CD1-CG 4.08Å; F383-R404 HydrophobicContact CD2-CG 4.2Å; F383-R404 HydrophobicContact CE1-CB 3.88Å; F383-R404 HydrophobicContact CE1-CG 3.76Å; F383-R404 HydrophobicContact CE2-CG 3.88Å; F383-R404 HydrophobicContact CG-CB 4.48Å; F383-R404 HydrophobicContact CG-CG 4.3Å; F383-R404 HydrophobicContact CZ-CB 4.31Å; F383-R404 VanDerWaalsContact CZ-CD 3.47Å; F383-R404 HydrophobicContact CZ-CG 3.67Å; F383-M415 HydrophobicContact CD1-CG 4.39Å; F383-M415 HydrophobicContact CE1-CG 4.19Å; F383-I434 HydrophobicContact CB-CD1 4.17Å; F383-I434 HydrophobicContact CD1-CD1 3.89Å; F383-I434 HydrophobicContact CD2-CD1 3.94Å; F383-I434 HydrophobicContact CE1-CD1 4.19Å; F383-I434 HydrophobicContact CE2-CD1 4.24Å; F383-I434 HydrophobicContact CG-CD1 3.75Å; F383-I434 HydrophobicContact CZ-CD1 4.35Å; F383-Y452 HydrophobicContact CE1-CE1 4.04Å; F383-I454 HydrophobicContact CZ-CG2 4.41Å
384	L	91.3	Very high	89.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.4	165.7	-63.4	177.4	0	0	0	108.5	P372 L375 V402 Y403 W412	P372-L384 HydrophobicContact CB-CB 4.02Å; P372-L384 HydrophobicContact CB-CD2 4.08Å; P372-L384 HydrophobicContact CB-CG 4.46Å; P372-L384 HydrophobicContact CG-CB 4.3Å; P372-L384 HydrophobicContact CG-CD1 4.03Å; P372-L384 HydrophobicContact CG-CD2 3.79Å; P372-L384 HydrophobicContact CG-CG 4.25Å; L375-L384 HydrophobicContact CD1-CD2 3.93Å; L384-V402 WeakPolarHBondContact O-CA 3.4Å; L384-Y403 PolarHBondContact N-O 2.62Å; L384-Y403 PolarHBondContact O-N 2.79Å; L384-W412 HydrophobicContact CB-CZ3 4.34Å; L384-W412 HydrophobicContact CD1-CH2 3.15Å; L384-W412 HydrophobicContact CD1-CZ2 3.81Å; L384-W412 HydrophobicContact CD1-CZ3 3.57Å; L384-W412 HydrophobicContact CD2-CH2 4.45Å; L384-W412 HydrophobicContact CG-CH2 3.51Å; L384-W412 HydrophobicContact CG-CZ3 3.69Å
385	L	92.3	Very high	88.9	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.4	-174.4	-53.3	95.5	0	0	0	110.5	C374 A376 F383 G387 V402 F425 V427 I434 W459	C374-L385 HydrophobicContact CB-CB 4.36Å; C374-L385 PolarHBondContact O-N 3.46Å; C374-L385 VanDerWaalsContact O-N 3.17Å; A376-L385 HydrophobicContact CB-CD1 3.89Å; F383-L385 HydrophobicContact CB-CD1 4.03Å; F383-L385 VanDerWaalsContact O-CD1 3.3Å; F383-L385 WeakPolarHBondContact O-CD1 3.42Å; L385-G387 PolarHBondContact O-N 3.45Å; L385-V402 HydrophobicContact CG-CG1 4.36Å; L385-F425 HydrophobicContact CB-CE2 4.39Å; L385-F425 HydrophobicContact CB-CZ 3.86Å; L385-F425 WeakPolarHBondContact O-CE1 3.44Å; L385-F425 VanDerWaalsContact O-CZ 3.31Å; L385-F425 WeakPolarHBondContact O-CZ 3.44Å; L385-V427 HydrophobicContact CD1-CG1 4.25Å; L385-V427 HydrophobicContact CD1-CG2 4.42Å; L385-V427 HydrophobicContact CD2-CG2 4.4Å; L385-I434 HydrophobicContact CD2-CG2 3.91Å; L385-W459 HydrophobicContact CD2-CH2 3.71Å; L385-W459 HydrophobicContact CD2-CZ2 3.9Å
386	G	90.7	Very high	88.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.			trans	51	-134.3	171.4	0	0	0	0	0	113.6	L370 P372 S399 K401	L370-G386 VanDerWaalsContact CD1-O 3.3Å; L370-G386 WeakPolarHBondContact CD1-O 3.47Å; L370-G386 WeakPolarHBondContact CD2-O 3.48Å; L370-G386 VanDerWaalsContact CG-O 3.32Å; L370-G386 WeakPolarHBondContact CG-O 3.47Å; P372-G386 WeakPolarHBondContact CA-O 3.25Å; G386-S399 VanDerWaalsContact CA-O 3.3Å; G386-S399 WeakPolarHBondContact CA-O 3.3Å; G386-K401 PolarHBondContact N-O 3.41Å
387	G	88.1	Confident	88.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.239	C	C	.	.			trans	81.1	-141.7	-166.8	0	0	0	0	0	110	R371 D373 L385 A398 S399 R422	R371-G387 CarbonylContact O-C 3.49Å; R371-G387 WeakPolarHBondContact O-CA 3.46Å; D373-G387 WeakPolarHBondContact OD2-CA 3.5Å; L385-G387 PolarHBondContact O-N 3.45Å; G387-A398 CarbonylContact O-C 3.53Å; G387-A398 WeakPolarHBondContact O-CA 3.41Å; G387-S399 PolarHBondContact O-N 2.82Å; G387-R422 WeakPolarHBondContact CA-O 3.29Å; G387-R422 PolarHBondContact N-O 2.8Å
388	E	85.8	Confident	88	Confident	21 Å²	21	40.4 Å²	40.4	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148	-174.2	-56.5	-174.4	157	0	0	113.1	R371 F396 H397 S423	R371-E388 WeakPolarHBondContact CA-O 3.17Å; R371-E388 WeakPolarHBondContact CB-O 3.4Å; R371-E388 IonicContact CZ-OE2 2.7Å; R371-E388 PolarHBondContact N-O 2.89Å; R371-E388 IonicContact NH1-OE2 3.22Å; R371-E388 PolarHBondContact NH1-OE2 2.84Å; R371-E388 IonicContact NH2-OE2 2.79Å; R371-E388 PolarHBondContact NH2-OE2 3.16Å; R371-E388 PolarHBondContact O-N 2.9Å; E388-F396 HydrophobicContact CB-CB 4.3Å; E388-F396 HydrophobicContact CB-CD1 4.43Å; E388-H397 CarbonylContact C-O 3.47Å; E388-H397 WeakPolarHBondContact CA-O 3.43Å; E388-S423 VanDerWaalsContact OE1-CB 3.28Å; E388-S423 WeakPolarHBondContact OE1-CB 3.19Å; E388-S423 PolarHBondContact OE1-OG 3.2Å
389	E	83.9	Confident	87.9	Confident	46 Å²	46	40.2 Å²	40.2	22%	0.215	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.3	176.2	60.9	-176.7	-115.9	0	0	111.1	L370 G391 F396 H397 S399 K401	L370-E389 HydrophobicContact CD1-CB 4.36Å; E389-G391 PolarHBondContact O-N 3.22Å; E389-F396 WeakPolarHBondContact O-CA 3.43Å; E389-H397 PolarHBondContact N-O 3.38Å; E389-H397 PolarHBondContact O-N 3.16Å; E389-S399 WeakPolarHBondContact OE2-CB 3.35Å; E389-S399 PolarHBondContact OE2-OG 3.25Å; E389-K401 IonicContact OE1-NZ 2.71Å; E389-K401 PolarHBondContact OE1-NZ 2.92Å; E389-K401 WeakPolarHBondContact OE2-CD 3.44Å; E389-K401 WeakPolarHBondContact OE2-CE 3.33Å; E389-K401 IonicContact OE2-NZ 3.71Å; E389-K401 PolarHBondContact OE2-NZ 3.43Å
390	L	81.7	Confident	88	Confident	107 Å²	107	37.5 Å²	37.5	56%	0.56	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.1	179.1	-171.2	69.9	0	0	0	109.3	G394 F396	L390-G394 WeakPolarHBondContact CD1-O 3.42Å; L390-F396 HydrophobicContact CB-CD1 4.46Å; L390-F396 HydrophobicContact CB-CE1 4.19Å; L390-F396 HydrophobicContact CD1-CD1 4.45Å; L390-F396 HydrophobicContact CD1-CD2 4.46Å; L390-F396 HydrophobicContact CD1-CE1 4.26Å; L390-F396 HydrophobicContact CD1-CE2 4.28Å; L390-F396 HydrophobicContact CD1-CZ 4.18Å
391	G	80.9	Confident	87.9	Confident	14 Å²	14	38.1 Å²	38.1	14%	0.144	22%	0.218	C	C	.	.			trans	-76.2	167.7	-179.1	0	0	0	0	0	113.5	E389 D393 G394 E395	E389-G391 PolarHBondContact O-N 3.22Å; G391-D393 WeakPolarHBondContact CA-OD1 3.5Å; G391-D393 PolarHBondContact O-N 2.71Å; G391-G394 PolarHBondContact O-N 3.47Å; G391-E395 PolarHBondContact N-O 3.34Å
392	P	80.9	Confident	87.8	Confident	149 Å²	149	37.8 Å²	37.8	97%	0.968	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.5	174.8	-20.7	33.6	0	0	0	114.3
393	D	84.6	Confident	87.8	Confident	99 Å²	99	39.1 Å²	39.1	53%	0.529	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.6	173.2	56.9	-7.6	0	0	0	113.4	G391 E395 H397	G391-D393 WeakPolarHBondContact CA-OD1 3.5Å; G391-D393 PolarHBondContact O-N 2.71Å; D393-E395 VanDerWaalsContact C-N 3.34Å; D393-E395 PolarHBondContact OD1-N 2.75Å; D393-H397 VanDerWaalsContact CG-NE2 3.3Å; D393-H397 IonicContact OD1-CD2 3.92Å; D393-H397 IonicContact OD1-NE2 3.47Å; D393-H397 PolarHBondContact OD1-NE2 3.06Å; D393-H397 IonicContact OD2-CE1 3.59Å; D393-H397 PolarHBondContact OD2-CE1 3.44Å; D393-H397 VanDerWaalsContact OD2-CE1 3.26Å; D393-H397 IonicContact OD2-NE2 3.59Å; D393-H397 PolarHBondContact OD2-NE2 2.7Å
394	G	80.9	Confident	87.7	Confident	49 Å²	49	39.5 Å²	39.5	51%	0.505	22%	0.224	S	C	.	.	S	Bend	trans	84.1	5	-175.8	0	0	0	0	0	114.4	L390 G391	L390-G394 WeakPolarHBondContact CD1-O 3.42Å; G391-G394 PolarHBondContact O-N 3.47Å
395	E	82.9	Confident	87.8	Confident	87 Å²	87	39.5 Å²	39.5	41%	0.407	22%	0.224	S	C	.	.	S	Bend	trans	-95.1	161.2	175.6	-65.6	-82.8	115.5	0	0	110.6	G391 D393 H397 R442	G391-E395 PolarHBondContact N-O 3.34Å; D393-E395 VanDerWaalsContact C-N 3.34Å; D393-E395 PolarHBondContact OD1-N 2.75Å; E395-H397 PolarHBondContact O-CD2 3.47Å; E395-R442 IonicContact OE2-CZ 3.2Å; E395-R442 IonicContact OE2-NH1 3.82Å; E395-R442 PolarHBondContact OE2-NH1 2.81Å; E395-R442 IonicContact OE2-NH2 3.2Å; E395-R442 PolarHBondContact OE2-NH2 3.33Å
396	F	82.7	Confident	87.8	Confident	63 Å²	63	40 Å²	40	28%	0.276	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.2	172.5	-75.7	-78.6	0	0	0	111	R371 E388 E389 L390	R371-F396 VanDerWaalsContact NH2-CD1 3.28Å; E388-F396 HydrophobicContact CB-CB 4.3Å; E388-F396 HydrophobicContact CB-CD1 4.43Å; E389-F396 WeakPolarHBondContact O-CA 3.43Å; L390-F396 HydrophobicContact CB-CD1 4.46Å; L390-F396 HydrophobicContact CB-CE1 4.19Å; L390-F396 HydrophobicContact CD1-CD1 4.45Å; L390-F396 HydrophobicContact CD1-CD2 4.46Å; L390-F396 HydrophobicContact CD1-CE1 4.26Å; L390-F396 HydrophobicContact CD1-CE2 4.28Å; L390-F396 HydrophobicContact CD1-CZ 4.18Å
397	H	88.1	Confident	87.8	Confident	67 Å²	67	40 Å²	40	31%	0.31	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.2	179.6	-60.4	-90.4	0	0	0	110.3	E388 E389 D393 E395	E388-H397 CarbonylContact C-O 3.47Å; E388-H397 WeakPolarHBondContact CA-O 3.43Å; E389-H397 PolarHBondContact N-O 3.38Å; E389-H397 PolarHBondContact O-N 3.16Å; D393-H397 VanDerWaalsContact CG-NE2 3.3Å; D393-H397 IonicContact OD1-CD2 3.92Å; D393-H397 IonicContact OD1-NE2 3.47Å; D393-H397 PolarHBondContact OD1-NE2 3.06Å; D393-H397 IonicContact OD2-CE1 3.59Å; D393-H397 PolarHBondContact OD2-CE1 3.44Å; D393-H397 VanDerWaalsContact OD2-CE1 3.26Å; D393-H397 IonicContact OD2-NE2 3.59Å; D393-H397 PolarHBondContact OD2-NE2 2.7Å; E395-H397 PolarHBondContact O-CD2 3.47Å
398	A	91.6	Very high	87.8	Confident	16 Å²	16	41 Å²	41	13%	0.132	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	142	173.8	0	0	0	0	0	111.1	G387 P421 T441	G387-A398 CarbonylContact O-C 3.53Å; G387-A398 WeakPolarHBondContact O-CA 3.41Å; A398-P421 HydrophobicContact CB-CB 4.36Å; A398-P421 WeakPolarHBondContact O-CB 3.19Å; A398-T441 HydrophobicContact CB-CG2 3.8Å
399	S	91.6	Very high	87.6	Confident	3 Å²	3	45 Å²	45	2%	0.021	25%	0.249	C	C	.	.			trans	-115.8	148	-174.8	-169.3	0	0	0	0	111.4	G386 G387 E389 K401 P421 R422	G386-S399 VanDerWaalsContact CA-O 3.3Å; G386-S399 WeakPolarHBondContact CA-O 3.3Å; G387-S399 PolarHBondContact O-N 2.82Å; E389-S399 WeakPolarHBondContact OE2-CB 3.35Å; E389-S399 PolarHBondContact OE2-OG 3.25Å; S399-K401 WeakPolarHBondContact OG-CG 3.39Å; S399-K401 PolarHBondContact OG-N 2.86Å; S399-P421 WeakPolarHBondContact O-CA 3.44Å; S399-R422 PolarHBondContact O-N 3.05Å
400	S	93.4	Very high	87.8	Confident	28 Å²	28	44.3 Å²	44.3	20%	0.196	25%	0.247	C	C	.	.			trans	-94.2	-5.7	170.4	50.6	0	0	0	0	113	D417 M418	S400-D417 CarbonylContact O-C 3.57Å; S400-D417 WeakPolarHBondContact O-CA 3.28Å; S400-M418 WeakPolarHBondContact CB-O 3.41Å; S400-M418 PolarHBondContact O-N 2.92Å
401	K	92.6	Very high	88	Confident	44 Å²	44	41.1 Å²	41.1	19%	0.191	23%	0.233	C	C	.	.			trans	-73.8	145.5	-164.4	-59.8	176.4	-170.7	152.2	0	113.2	G386 E389 S399 Y403 D417	G386-K401 PolarHBondContact N-O 3.41Å; E389-K401 IonicContact OE1-NZ 2.71Å; E389-K401 PolarHBondContact OE1-NZ 2.92Å; E389-K401 WeakPolarHBondContact OE2-CD 3.44Å; E389-K401 WeakPolarHBondContact OE2-CE 3.33Å; E389-K401 IonicContact OE2-NZ 3.71Å; E389-K401 PolarHBondContact OE2-NZ 3.43Å; S399-K401 WeakPolarHBondContact OG-CG 3.39Å; S399-K401 PolarHBondContact OG-N 2.86Å; K401-Y403 HydrophobicContact CB-CD2 4.39Å; K401-Y403 HydrophobicContact CB-CE2 3.71Å; K401-Y403 HydrophobicContact CD-CE2 4.45Å; K401-D417 WeakPolarHBondContact CA-OD1 3.42Å
402	V	93.2	Very high	88.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.1	-177.5	-176.7	0	0	0	0	110.1	F383 L384 L385 R414 M415 A416 M418 W459	F383-V402 HydrophobicContact CD1-CG1 4.36Å; L384-V402 WeakPolarHBondContact O-CA 3.4Å; L385-V402 HydrophobicContact CG-CG1 4.36Å; V402-R414 VanDerWaalsContact O-CD 3.26Å; V402-R414 WeakPolarHBondContact O-CD 3.12Å; V402-M415 HydrophobicContact CB-CB 4.1Å; V402-M415 HydrophobicContact CG1-CB 3.91Å; V402-M415 HydrophobicContact CG1-CG 4.06Å; V402-M415 PolarHBondContact O-N 2.92Å; V402-A416 WeakPolarHBondContact CG2-O 3.35Å; V402-M418 HydrophobicContact CG2-CG 4.32Å; V402-W459 HydrophobicContact CG2-CZ2 3.75Å
403	Y	92	Very high	88.9	Confident	27 Å²	27	38.4 Å²	38.4	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.1	-178.4	-67.1	-93.4	0	0	0	111	V368 L370 F383 L384 K401 L413 R414	V368-Y403 HydrophobicContact CG1-CD1 3.97Å; V368-Y403 HydrophobicContact CG1-CD2 3.57Å; V368-Y403 HydrophobicContact CG1-CE1 3.93Å; V368-Y403 HydrophobicContact CG1-CE2 3.54Å; V368-Y403 HydrophobicContact CG1-CG 3.78Å; V368-Y403 HydrophobicContact CG2-CD1 4.21Å; V368-Y403 HydrophobicContact CG2-CG 4.45Å; L370-Y403 HydrophobicContact CD2-CD2 3.96Å; L370-Y403 HydrophobicContact CD2-CE2 4.13Å; F383-Y403 CarbonylContact C-O 3.47Å; F383-Y403 WeakPolarHBondContact CA-O 3.24Å; L384-Y403 PolarHBondContact N-O 2.62Å; L384-Y403 PolarHBondContact O-N 2.79Å; K401-Y403 HydrophobicContact CB-CD2 4.39Å; K401-Y403 HydrophobicContact CB-CE2 3.71Å; K401-Y403 HydrophobicContact CD-CE2 4.45Å; Y403-L413 CarbonylContact C-O 3.55Å; Y403-L413 WeakPolarHBondContact CA-O 3.45Å; Y403-R414 HydrophobicContact CD1-CB 4.31Å; Y403-R414 HydrophobicContact CE1-CB 4.17Å; Y403-R414 PolarHBondContact OH-NH1 3.2Å
404	R	93.4	Very high	89.3	Confident	10 Å²	10	38.8 Å²	38.8	4%	0.038	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	178	-171.6	-170	82.2	174.7	12.4	110.9	V315 F381 A382 F383 W412 L413 M415	V315-R404 PolarHBondContact O-NH1 3.21Å; F381-R404 HydrophobicContact CB-CG 4.13Å; F381-R404 HydrophobicContact CD1-CG 4.16Å; A382-R404 CarbonylContact O-C 3.54Å; A382-R404 WeakPolarHBondContact O-CA 3.46Å; F383-R404 HydrophobicContact CD1-CB 3.97Å; F383-R404 HydrophobicContact CD1-CG 4.08Å; F383-R404 HydrophobicContact CD2-CG 4.2Å; F383-R404 HydrophobicContact CE1-CB 3.88Å; F383-R404 HydrophobicContact CE1-CG 3.76Å; F383-R404 HydrophobicContact CE2-CG 3.88Å; F383-R404 HydrophobicContact CG-CB 4.48Å; F383-R404 HydrophobicContact CG-CG 4.3Å; F383-R404 HydrophobicContact CZ-CB 4.31Å; F383-R404 VanDerWaalsContact CZ-CD 3.47Å; F383-R404 HydrophobicContact CZ-CG 3.67Å; R404-W412 CarbonylContact O-C 3.43Å; R404-W412 WeakPolarHBondContact O-CA 3.38Å; R404-L413 PolarHBondContact N-O 3.32Å; R404-L413 PolarHBondContact O-N 3.3Å; R404-M415 HydrophobicContact CB-CG 3.99Å; R404-M415 HydrophobicContact CB-SD 3.66Å
405	Y	91.8	Very high	90	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.9	174	-173.1	-118	0	0	0	111.9	F338 I351 L363 F381 A382 P407 N410 S411 W412 F656	F338-Y405 AromaticContact CE1-CD1 3.74Å; F338-Y405 HydrophobicContact CE1-CD1 3.74Å; F338-Y405 HydrophobicContact CE1-CD2 4.44Å; F338-Y405 HydrophobicContact CE1-CE1 4.16Å; F338-Y405 AromaticContact CE1-CG 3.88Å; F338-Y405 HydrophobicContact CE1-CG 3.88Å; F338-Y405 AromaticContact CZ-CD1 3.61Å; F338-Y405 HydrophobicContact CZ-CD1 3.61Å; F338-Y405 HydrophobicContact CZ-CE1 4.01Å; F338-Y405 HydrophobicContact CZ-CG 4.2Å; I351-Y405 HydrophobicContact CD1-CD2 4.44Å; I351-Y405 HydrophobicContact CD1-CE1 3.92Å; I351-Y405 HydrophobicContact CD1-CE2 3.77Å; I351-Y405 VanDerWaalsContact CD1-CZ 3.47Å; L363-Y405 VanDerWaalsContact CD2-OH 3.31Å; L363-Y405 WeakPolarHBondContact CD2-OH 3.45Å; F381-Y405 WeakPolarHBondContact CD1-O 3.47Å; A382-Y405 PolarHBondContact N-O 2.8Å; A382-Y405 PolarHBondContact O-N 3.01Å; Y405-P407 HydrophobicContact CD1-CB 4.3Å; Y405-P407 HydrophobicContact CE1-CB 3.77Å; Y405-N410 WeakPolarHBondContact CE2-OD1 3.41Å; Y405-N410 PolarHBondContact OH-OD1 2.87Å; Y405-S411 WeakPolarHBondContact CA-O 3.36Å; Y405-S411 VanDerWaalsContact CD2-O 3.29Å; Y405-S411 WeakPolarHBondContact CD2-O 3.27Å; Y405-W412 AromaticContact CD2-CD2 3.95Å; Y405-W412 HydrophobicContact CD2-CD2 3.95Å; Y405-W412 AromaticContact CD2-CE2 3.65Å; Y405-W412 HydrophobicContact CD2-CE3 4.45Å; Y405-W412 HydrophobicContact CD2-CG 4.32Å; Y405-W412 HydrophobicContact CD2-CH2 4.39Å; Y405-W412 AromaticContact CD2-CZ2 3.89Å; Y405-W412 HydrophobicContact CD2-CZ2 3.89Å; Y405-W412 AromaticContact CD2-NE1 3.89Å; Y405-W412 HydrophobicContact CG-CH2 4.24Å; Y405-W412 HydrophobicContact CG-CZ2 4.16Å; Y405-W412 HydrophobicContact CG-CZ3 4.49Å; Y405-F656 AromaticContact CE1-CE1 3.91Å; Y405-F656 HydrophobicContact CE1-CE1 3.91Å; Y405-F656 HydrophobicContact CE1-CZ 4.34Å
406	D	91.9	Very high	90.7	Very high	10 Å²	10	34 Å²	34	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.9	167.1	-169.5	-24.9	0	0	0	110.6	F381 R408 Q409 N410 S411	F381-D406 HydrophobicContact CD1-CB 4.33Å; F381-D406 HydrophobicContact CE1-CB 4.15Å; D406-R408 PolarHBondContact O-N 2.93Å; D406-R408 WeakPolarHBondContact OD1-CB 3.43Å; D406-R408 WeakPolarHBondContact OD1-CG 3.44Å; D406-R408 IonicContact OD1-CZ 2.72Å; D406-R408 PolarHBondContact OD1-N 2.79Å; D406-R408 IonicContact OD1-NE 2.77Å; D406-R408 PolarHBondContact OD1-NE 3.01Å; D406-R408 IonicContact OD1-NH2 3.35Å; D406-R408 IonicContact OD2-CZ 3.54Å; D406-R408 IonicContact OD2-NE 3.08Å; D406-R408 PolarHBondContact OD2-NE 3.24Å; D406-R408 IonicContact OD2-NH2 3.49Å; D406-R408 PolarHBondContact OD2-NH2 2.9Å; D406-Q409 PolarHBondContact O-N 3.06Å; D406-N410 WeakPolarHBondContact O-CA 3.47Å; D406-N410 PolarHBondContact O-N 3.3Å; D406-S411 PolarHBondContact N-O 3.31Å; D406-S411 PolarHBondContact O-N 2.95Å
407	P	91.1	Very high	91.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.2	179.7	25.6	-31.2	0	0	0	114.4	I328 N380 Y405 F656 P657	I328-P407 HydrophobicContact CD1-CG 4.09Å; N380-P407 WeakPolarHBondContact ND2-CG 3.43Å; N380-P407 WeakPolarHBondContact O-CD 3.12Å; N380-P407 WeakPolarHBondContact O-CG 3.25Å; Y405-P407 HydrophobicContact CD1-CB 4.3Å; Y405-P407 HydrophobicContact CE1-CB 3.77Å; P407-F656 HydrophobicContact CB-CD1 3.53Å; P407-F656 HydrophobicContact CB-CE1 3.58Å; P407-F656 HydrophobicContact CB-CG 4.18Å; P407-F656 HydrophobicContact CB-CZ 4.25Å; P407-P657 VanDerWaalsContact O-CD 3.3Å; P407-P657 WeakPolarHBondContact O-CD 3.39Å
408	R	87.6	Confident	91.7	Very high	20 Å²	20	31.1 Å²	31.1	8%	0.075	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-23.7	177.6	-59.3	169.1	-65.9	-176.9	16.1	113.3	L279 Y311 N326 I328 F381 D406 P657 V660	L279-R408 HydrophobicContact CD2-CG 4.3Å; Y311-R408 PolarHBondContact OH-NH1 2.88Å; Y311-R408 PolarHBondContact OH-NH2 3.14Å; N326-R408 PolarHBondContact O-NH1 2.68Å; I328-R408 HydrophobicContact CD1-CG 3.48Å; I328-R408 VanDerWaalsContact CD1-CG 3.48Å; I328-R408 HydrophobicContact CG1-CG 3.58Å; F381-R408 VanDerWaalsContact CZ-NH2 3.27Å; D406-R408 PolarHBondContact O-N 2.93Å; D406-R408 WeakPolarHBondContact OD1-CB 3.43Å; D406-R408 WeakPolarHBondContact OD1-CG 3.44Å; D406-R408 IonicContact OD1-CZ 2.72Å; D406-R408 PolarHBondContact OD1-N 2.79Å; D406-R408 IonicContact OD1-NE 2.77Å; D406-R408 PolarHBondContact OD1-NE 3.01Å; D406-R408 IonicContact OD1-NH2 3.35Å; D406-R408 IonicContact OD2-CZ 3.54Å; D406-R408 IonicContact OD2-NE 3.08Å; D406-R408 PolarHBondContact OD2-NE 3.24Å; D406-R408 IonicContact OD2-NH2 3.49Å; D406-R408 PolarHBondContact OD2-NH2 2.9Å; R408-P657 HydrophobicContact CB-CG 4.43Å; R408-P657 HydrophobicContact CG-CG 4.47Å; R408-V660 WeakPolarHBondContact O-CG2 3.21Å
409	Q	82.9	Confident	91.8	Very high	106 Å²	106	33.6 Å²	33.6	50%	0.495	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-1	-179	-64.4	-175.7	-9.7	0	0	112.3	D406 S411	D406-Q409 PolarHBondContact O-N 3.06Å; Q409-S411 PolarHBondContact O-N 2.77Å
410	N	87.3	Confident	91.9	Very high	31 Å²	31	34.5 Å²	34.5	17%	0.166	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.8	-171.5	-176.2	34.7	0	0	0	111.9	E364 P366 Y405 D406 V660	E364-N410 PolarHBondContact O-ND2 2.83Å; P366-N410 WeakPolarHBondContact CD-O 3.45Å; P366-N410 WeakPolarHBondContact CG-O 3.22Å; Y405-N410 WeakPolarHBondContact CE2-OD1 3.41Å; Y405-N410 PolarHBondContact OH-OD1 2.87Å; D406-N410 WeakPolarHBondContact O-CA 3.47Å; D406-N410 PolarHBondContact O-N 3.3Å; N410-V660 HydrophobicContact CB-CG1 3.85Å
411	S	87.3	Confident	91.8	Very high	39 Å²	39	35.6 Å²	35.6	27%	0.273	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.1	-170.9	64.6	0	0	0	0	112.2	Y405 D406 Q409	Y405-S411 WeakPolarHBondContact CA-O 3.36Å; Y405-S411 VanDerWaalsContact CD2-O 3.29Å; Y405-S411 WeakPolarHBondContact CD2-O 3.27Å; D406-S411 PolarHBondContact N-O 3.31Å; D406-S411 PolarHBondContact O-N 2.95Å; Q409-S411 PolarHBondContact O-N 2.77Å
412	W	88.9	Confident	91.8	Very high	43 Å²	43	33.5 Å²	33.5	16%	0.163	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.3	171.9	-71.2	101.3	0	0	0	110.3	F338 P366 V368 L384 R404 Y405	F338-W412 AromaticContact CD1-CH2 3.67Å; F338-W412 HydrophobicContact CD1-CH2 3.67Å; F338-W412 AromaticContact CD1-CZ2 3.67Å; F338-W412 HydrophobicContact CD1-CZ2 3.67Å; F338-W412 AromaticContact CE1-CH2 3.65Å; F338-W412 HydrophobicContact CE1-CH2 3.65Å; F338-W412 AromaticContact CE1-CZ2 3.67Å; F338-W412 HydrophobicContact CE1-CZ2 3.67Å; P366-W412 PolarHBondContact O-NE1 2.9Å; V368-W412 HydrophobicContact CG2-CB 4.36Å; V368-W412 HydrophobicContact CG2-CD2 3.98Å; V368-W412 HydrophobicContact CG2-CG 3.85Å; L384-W412 HydrophobicContact CB-CZ3 4.34Å; L384-W412 HydrophobicContact CD1-CH2 3.15Å; L384-W412 HydrophobicContact CD1-CZ2 3.81Å; L384-W412 HydrophobicContact CD1-CZ3 3.57Å; L384-W412 HydrophobicContact CD2-CH2 4.45Å; L384-W412 HydrophobicContact CG-CH2 3.51Å; L384-W412 HydrophobicContact CG-CZ3 3.69Å; R404-W412 CarbonylContact O-C 3.43Å; R404-W412 WeakPolarHBondContact O-CA 3.38Å; Y405-W412 AromaticContact CD2-CD2 3.95Å; Y405-W412 HydrophobicContact CD2-CD2 3.95Å; Y405-W412 AromaticContact CD2-CE2 3.65Å; Y405-W412 HydrophobicContact CD2-CE3 4.45Å; Y405-W412 HydrophobicContact CD2-CG 4.32Å; Y405-W412 HydrophobicContact CD2-CH2 4.39Å; Y405-W412 AromaticContact CD2-CZ2 3.89Å; Y405-W412 HydrophobicContact CD2-CZ2 3.89Å; Y405-W412 AromaticContact CD2-NE1 3.89Å; Y405-W412 HydrophobicContact CG-CH2 4.24Å; Y405-W412 HydrophobicContact CG-CZ2 4.16Å; Y405-W412 HydrophobicContact CG-CZ3 4.49Å
413	L	91.7	Very high	91.8	Very high	64 Å²	64	33.5 Å²	33.5	34%	0.335	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.3	168.8	-176	63.2	0	0	0	108.9	V315 Y403 R404 M415	V315-L413 HydrophobicContact CG1-CD2 3.57Å; Y403-L413 CarbonylContact C-O 3.55Å; Y403-L413 WeakPolarHBondContact CA-O 3.45Å; R404-L413 PolarHBondContact N-O 3.32Å; R404-L413 PolarHBondContact O-N 3.3Å; L413-M415 HydrophobicContact CB-SD 4.18Å; L413-M415 HydrophobicContact CD2-CE 4.16Å; L413-M415 HydrophobicContact CD2-SD 3.71Å; L413-M415 HydrophobicContact CG-SD 3.76Å
414	R	92.5	Very high	91.8	Very high	107 Å²	107	33.8 Å²	33.8	40%	0.404	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.8	169.3	171.7	59.6	165.2	-67.4	-10.8	108.2	V402 Y403 D417	V402-R414 VanDerWaalsContact O-CD 3.26Å; V402-R414 WeakPolarHBondContact O-CD 3.12Å; Y403-R414 HydrophobicContact CD1-CB 4.31Å; Y403-R414 HydrophobicContact CE1-CB 4.17Å; Y403-R414 PolarHBondContact OH-NH1 3.2Å; R414-D417 IonicContact CZ-OD1 2.97Å; R414-D417 IonicContact CZ-OD2 3.18Å; R414-D417 IonicContact NE-OD1 3.26Å; R414-D417 PolarHBondContact NE-OD1 2.87Å; R414-D417 IonicContact NH2-OD1 2.86Å; R414-D417 PolarHBondContact NH2-OD1 2.99Å; R414-D417 IonicContact NH2-OD2 2.61Å; R414-D417 PolarHBondContact NH2-OD2 2.81Å
415	M	95.4	Very high	91.8	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	178.6	174.2	-43.9	-49.4	-52.4	0	0	110.2	F383 V402 R404 L413 Y452	F383-M415 HydrophobicContact CD1-CG 4.39Å; F383-M415 HydrophobicContact CE1-CG 4.19Å; V402-M415 HydrophobicContact CB-CB 4.1Å; V402-M415 HydrophobicContact CG1-CB 3.91Å; V402-M415 HydrophobicContact CG1-CG 4.06Å; V402-M415 PolarHBondContact O-N 2.92Å; R404-M415 HydrophobicContact CB-CG 3.99Å; R404-M415 HydrophobicContact CB-SD 3.66Å; L413-M415 HydrophobicContact CB-SD 4.18Å; L413-M415 HydrophobicContact CD2-CE 4.16Å; L413-M415 HydrophobicContact CD2-SD 3.71Å; L413-M415 HydrophobicContact CG-SD 3.76Å; M415-Y452 WeakPolarHBondContact CE-OH 3.45Å
416	A	96.7	Very high	92	Very high	28 Å²	28	33.8 Å²	33.8	23%	0.231	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-60.7	138.4	172.4	0	0	0	0	0	112.5	V402 Y452 D457 W459	V402-A416 WeakPolarHBondContact CG2-O 3.35Å; A416-Y452 HydrophobicContact CB-CE2 4.49Å; A416-D457 WeakPolarHBondContact CB-O 3.36Å; A416-D457 VanDerWaalsContact CB-OD1 3.25Å; A416-D457 WeakPolarHBondContact CB-OD1 3.39Å; A416-D457 PolarHBondContact N-OD1 3.34Å; A416-W459 PolarHBondContact O-NE1 2.79Å
417	D	96.8	Very high	92.2	Very high	63 Å²	63	34 Å²	34	34%	0.337	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-76.8	147.2	180	-61.6	-21.9	0	0	0	111.4	S400 K401 R414 W459	S400-D417 CarbonylContact O-C 3.57Å; S400-D417 WeakPolarHBondContact O-CA 3.28Å; K401-D417 WeakPolarHBondContact CA-OD1 3.42Å; R414-D417 IonicContact CZ-OD1 2.97Å; R414-D417 IonicContact CZ-OD2 3.18Å; R414-D417 IonicContact NE-OD1 3.26Å; R414-D417 PolarHBondContact NE-OD1 2.87Å; R414-D417 IonicContact NH2-OD1 2.86Å; R414-D417 PolarHBondContact NH2-OD1 2.99Å; R414-D417 IonicContact NH2-OD2 2.61Å; R414-D417 PolarHBondContact NH2-OD2 2.81Å; D417-W459 VanDerWaalsContact C-CD1 3.46Å
418	M	95.8	Very high	92.4	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.034	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-59	150.5	171.9	-67.4	-179.5	-61.5	0	0	111.5	S400 V402 V420 R422 F425 A436 W459	S400-M418 WeakPolarHBondContact CB-O 3.41Å; S400-M418 PolarHBondContact O-N 2.92Å; V402-M418 HydrophobicContact CG2-CG 4.32Å; M418-V420 WeakPolarHBondContact CB-O 3.49Å; M418-V420 PolarHBondContact O-N 3.06Å; M418-R422 HydrophobicContact CE-CB 4.24Å; M418-F425 HydrophobicContact CE-CE1 4.45Å; M418-F425 HydrophobicContact CE-CE2 4.46Å; M418-F425 HydrophobicContact CE-CZ 3.93Å; M418-F425 HydrophobicContact SD-CE2 4.11Å; M418-F425 HydrophobicContact SD-CZ 4.14Å; M418-A436 HydrophobicContact SD-CB 3.9Å; M418-W459 HydrophobicContact CB-CD2 4.45Å; M418-W459 HydrophobicContact CG-CD2 3.83Å; M418-W459 VanDerWaalsContact CG-CE2 3.41Å; M418-W459 HydrophobicContact CG-CE3 4.17Å; M418-W459 HydrophobicContact CG-CH2 3.75Å; M418-W459 HydrophobicContact CG-CZ2 3.38Å; M418-W459 HydrophobicContact CG-CZ3 4.13Å; M418-W459 HydrophobicContact SD-CH2 3.99Å; M418-W459 HydrophobicContact SD-CZ2 4.11Å; M418-W459 HydrophobicContact SD-CZ3 4.47Å
419	S	94.7	Very high	92.9	Very high	67 Å²	67	35.1 Å²	35.1	47%	0.469	19%	0.19	S	C	.	.	S	Bend	trans	-66.5	-28.4	177.4	-37.8	0	0	0	0	112	E450	S419-E450 WeakPolarHBondContact CA-OE2 3.2Å; S419-E450 WeakPolarHBondContact CB-OE2 3.38Å; S419-E450 PolarHBondContact N-OE2 2.85Å; S419-E450 PolarHBondContact OG-OE2 3.11Å
420	V	92.1	Very high	93.5	Very high	23 Å²	23	31.2 Å²	31.2	14%	0.139	17%	0.173	C	C	.	.	S	Bend	trans	-121.3	130.8	176.5	-173.5	0	0	0	0	109.5	M418 R422 F446 E450 F461	M418-V420 WeakPolarHBondContact CB-O 3.49Å; M418-V420 PolarHBondContact O-N 3.06Å; V420-R422 HydrophobicContact CB-CG 4.5Å; V420-R422 HydrophobicContact CG1-CG 4.37Å; V420-F446 HydrophobicContact CG1-CD1 4.42Å; V420-F446 HydrophobicContact CG1-CD2 3.94Å; V420-F446 HydrophobicContact CG1-CE1 4.29Å; V420-F446 HydrophobicContact CG1-CE2 3.78Å; V420-F446 HydrophobicContact CG1-CG 4.25Å; V420-F446 HydrophobicContact CG1-CZ 3.97Å; V420-E450 PolarHBondContact N-OE1 2.9Å; V420-F461 HydrophobicContact CG2-CE1 4.08Å; V420-F461 HydrophobicContact CG2-CZ 4.02Å
421	P	92.8	Very high	93.8	Very high	50 Å²	50	32.9 Å²	32.9	33%	0.325	20%	0.197	S	C	.	.			trans	-69.5	134.1	169.4	28.3	-32.7	0	0	0	110.9	A398 S399 T441	A398-P421 HydrophobicContact CB-CB 4.36Å; A398-P421 WeakPolarHBondContact O-CB 3.19Å; S399-P421 WeakPolarHBondContact O-CA 3.44Å; P421-T441 HydrophobicContact CG-CG2 4.25Å
422	R	92.4	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.198	C	C	.	.			trans	-141.1	127.8	-169.9	-64.4	165.9	-169.4	-89.7	-1.3	111.9	G387 S399 M418 V420 F425 A438 S448 E450	G387-R422 WeakPolarHBondContact CA-O 3.29Å; G387-R422 PolarHBondContact N-O 2.8Å; S399-R422 PolarHBondContact O-N 3.05Å; M418-R422 HydrophobicContact CE-CB 4.24Å; V420-R422 HydrophobicContact CB-CG 4.5Å; V420-R422 HydrophobicContact CG1-CG 4.37Å; R422-F425 HydrophobicContact CB-CB 4.31Å; R422-F425 HydrophobicContact CB-CD1 3.65Å; R422-F425 HydrophobicContact CB-CE1 3.99Å; R422-F425 HydrophobicContact CB-CG 3.94Å; R422-F425 WeakPolarHBondContact O-CD1 3.49Å; R422-F425 VanDerWaalsContact O-CE1 3.28Å; R422-F425 WeakPolarHBondContact O-CE1 3.21Å; R422-A438 PolarHBondContact NH1-O 2.94Å; R422-S448 PolarHBondContact NH1-O 2.81Å; R422-S448 PolarHBondContact NH2-O 2.93Å; R422-S448 PolarHBondContact NH2-OG 3.28Å; R422-E450 IonicContact CZ-OE1 3.54Å; R422-E450 IonicContact NE-OE1 2.8Å; R422-E450 PolarHBondContact NE-OE1 3.35Å; R422-E450 IonicContact NH2-OE1 2.78Å; R422-E450 PolarHBondContact NH2-OE1 3.27Å
423	S	91.8	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-111.8	161.8	158.6	62.2	0	0	0	0	111.3	D373 E388 F425 G439 R440	D373-S423 WeakPolarHBondContact OD2-CA 3.33Å; D373-S423 VanDerWaalsContact OD2-CB 3.3Å; D373-S423 WeakPolarHBondContact OD2-CB 3.43Å; E388-S423 VanDerWaalsContact OE1-CB 3.28Å; E388-S423 WeakPolarHBondContact OE1-CB 3.19Å; E388-S423 PolarHBondContact OE1-OG 3.2Å; S423-F425 PolarHBondContact O-N 2.84Å; S423-F425 VanDerWaalsContact O-N 3.15Å; S423-G439 WeakPolarHBondContact O-CA 3.44Å; S423-R440 PolarHBondContact N-O 2.82Å; S423-R440 PolarHBondContact O-N 2.81Å; S423-R440 PolarHBondContact OG-O 2.73Å
424	E	91.9	Very high	94.9	Very high	34 Å²	34	31.2 Å²	31.2	16%	0.159	18%	0.183	C	C	.	.	S	Bend	trans	51.1	41.2	176.5	-58.5	174.2	-167.8	0	0	113.3	D373 R440 Y470 G471 F544	D373-E424 PolarHBondContact OD2-N 3.43Å; E424-R440 VanDerWaalsContact CD-NE 3.3Å; E424-R440 VanDerWaalsContact CD-NH2 3.32Å; E424-R440 IonicContact OE1-CZ 2.76Å; E424-R440 IonicContact OE1-NE 3.97Å; E424-R440 IonicContact OE1-NH2 3.79Å; E424-R440 PolarHBondContact OE1-NH2 3.5Å; E424-R440 IonicContact OE2-CZ 2.69Å; E424-R440 IonicContact OE2-NE 2.79Å; E424-R440 PolarHBondContact OE2-NE 3.12Å; E424-R440 IonicContact OE2-NH2 3.83Å; E424-R440 PolarHBondContact OE2-NH2 2.68Å; E424-Y470 HydrophobicContact CB-CD2 4.45Å; E424-Y470 CarbonylContact O-C 3.55Å; E424-Y470 WeakPolarHBondContact O-CA 3.14Å; E424-Y470 WeakPolarHBondContact OE2-CD2 3.28Å; E424-Y470 WeakPolarHBondContact OE2-CE2 3.39Å; E424-G471 PolarHBondContact O-N 2.97Å; E424-F544 HydrophobicContact CB-CE1 4.38Å; E424-F544 HydrophobicContact CG-CE1 3.97Å
425	F	94.8	Very high	95.1	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.031	17%	0.165	C	C	.	.			trans	-103.5	-178.2	177.7	70.8	-73.3	0	0	0	111.4	C374 L385 M418 R422 S423 V427 A436 A438	C374-F425 HydrophobicContact CB-CE1 4.25Å; C374-F425 HydrophobicContact CB-CE2 4.21Å; C374-F425 HydrophobicContact CB-CZ 3.91Å; C374-F425 PolarHBondContact SG-O 3.23Å; L385-F425 HydrophobicContact CB-CE2 4.39Å; L385-F425 HydrophobicContact CB-CZ 3.86Å; L385-F425 WeakPolarHBondContact O-CE1 3.44Å; L385-F425 VanDerWaalsContact O-CZ 3.31Å; L385-F425 WeakPolarHBondContact O-CZ 3.44Å; M418-F425 HydrophobicContact CE-CE1 4.45Å; M418-F425 HydrophobicContact CE-CE2 4.46Å; M418-F425 HydrophobicContact CE-CZ 3.93Å; M418-F425 HydrophobicContact SD-CE2 4.11Å; M418-F425 HydrophobicContact SD-CZ 4.14Å; R422-F425 HydrophobicContact CB-CB 4.31Å; R422-F425 HydrophobicContact CB-CD1 3.65Å; R422-F425 HydrophobicContact CB-CE1 3.99Å; R422-F425 HydrophobicContact CB-CG 3.94Å; R422-F425 WeakPolarHBondContact O-CD1 3.49Å; R422-F425 VanDerWaalsContact O-CE1 3.28Å; R422-F425 WeakPolarHBondContact O-CE1 3.21Å; S423-F425 PolarHBondContact O-N 2.84Å; S423-F425 VanDerWaalsContact O-N 3.15Å; F425-V427 HydrophobicContact CD2-CG2 3.88Å; F425-V427 HydrophobicContact CE2-CG2 3.37Å; F425-V427 HydrophobicContact CZ-CG2 4.22Å; F425-A436 HydrophobicContact CD2-CB 3.99Å; F425-A436 HydrophobicContact CE2-CB 3.73Å; F425-A438 WeakPolarHBondContact CB-O 3.19Å
426	A	95.1	Very high	95.2	Very high	3 Å²	3	26 Å²	26	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.9	176.9	0	0	0	0	0	111.9	V437 H472 I483	A426-V437 PolarHBondContact N-O 2.82Å; A426-V437 PolarHBondContact O-N 3.03Å; A426-H472 WeakPolarHBondContact CB-CD2 3.14Å; A426-I483 HydrophobicContact CB-CD1 3.8Å
427	V	95.9	Very high	95.2	Very high	15 Å²	15	24.6 Å²	24.6	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	150	-177.9	170.2	0	0	0	0	112.3	C374 A376 L385 F425 I434 Y435 A436	C374-V427 HydrophobicContact CB-CB 4.16Å; C374-V427 HydrophobicContact CB-CG2 3.65Å; A376-V427 HydrophobicContact CB-CG1 3.77Å; L385-V427 HydrophobicContact CD1-CG1 4.25Å; L385-V427 HydrophobicContact CD1-CG2 4.42Å; L385-V427 HydrophobicContact CD2-CG2 4.4Å; F425-V427 HydrophobicContact CD2-CG2 3.88Å; F425-V427 HydrophobicContact CE2-CG2 3.37Å; F425-V427 HydrophobicContact CZ-CG2 4.22Å; V427-I434 HydrophobicContact CG1-CG2 3.4Å; V427-I434 VanDerWaalsContact CG1-CG2 3.4Å; V427-Y435 WeakPolarHBondContact CA-O 3.48Å; V427-A436 HydrophobicContact CG2-CB 4.42Å
428	G	96.6	Very high	95.1	Very high	6 Å²	6	21.6 Å²	21.6	6%	0.062	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.1	169.5	0	0	0	0	0	113.1	Y435	G428-Y435 PolarHBondContact N-O 2.84Å; G428-Y435 VanDerWaalsContact N-O 3.11Å; G428-Y435 PolarHBondContact O-N 3.5Å
429	V	97.4	Very high	95	Very high	37 Å²	37	21.3 Å²	21.3	22%	0.224	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.1	178	-174.7	0	0	0	0	109.8	A376 V378 F433 I434 V476	A376-V429 HydrophobicContact CB-CG2 3.84Å; V378-V429 HydrophobicContact CG2-CG1 4Å; V378-V429 HydrophobicContact CG2-CG2 4.08Å; V429-F433 WeakPolarHBondContact CA-O 3.19Å; V429-I434 HydrophobicContact CG2-CG1 4.33Å; V429-I434 HydrophobicContact CG2-CG2 4.47Å; V429-V476 WeakPolarHBondContact O-CG2 3.34Å
430	I	96.3	Very high	94.8	Very high	24 Å²	24	20.7 Å²	20.7	12%	0.123	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	112.7	174.7	-53.2	169.2	0	0	0	108.8	K432 F433 Y435 V476 G479 L481 F499 P501	I430-K432 PolarHBondContact O-N 3Å; I430-F433 PolarHBondContact N-O 2.75Å; I430-F433 PolarHBondContact O-N 3.3Å; I430-F433 VanDerWaalsContact O-N 3.16Å; I430-Y435 HydrophobicContact CB-CD2 4.4Å; I430-Y435 HydrophobicContact CB-CE2 3.91Å; I430-Y435 HydrophobicContact CD1-CD2 4.27Å; I430-Y435 HydrophobicContact CD1-CE2 4.17Å; I430-Y435 HydrophobicContact CG1-CD2 4.37Å; I430-Y435 HydrophobicContact CG1-CE2 4.29Å; I430-V476 HydrophobicContact CG1-CG1 4.08Å; I430-V476 HydrophobicContact CG1-CG2 4.04Å; I430-G479 VanDerWaalsContact CG2-O 3.31Å; I430-G479 WeakPolarHBondContact CG2-O 3.44Å; I430-L481 HydrophobicContact CD1-CB 4.01Å; I430-F499 HydrophobicContact CD1-CD1 4.46Å; I430-P501 HydrophobicContact CD1-CG 4.04Å; I430-P501 HydrophobicContact CG2-CG 4.09Å
431	G	93.6	Very high	94.7	Very high	66 Å²	66	20.8 Å²	20.8	68%	0.68	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-127.8	-174.2	0	0	0	0	0	111.2	F433	G431-F433 VanDerWaalsContact C-N 3.3Å; G431-F433 PolarHBondContact O-N 2.95Å
432	K	94.8	Very high	94.2	Very high	67 Å²	67	24.9 Å²	24.9	29%	0.291	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.9	177.5	70.6	153.8	-174.4	158.3	0	115.3	L320 I430 D453 I454 T455	L320-K432 HydrophobicContact CD1-CB 3.59Å; L320-K432 HydrophobicContact CD2-CB 4.07Å; L320-K432 HydrophobicContact CG-CB 4.49Å; I430-K432 PolarHBondContact O-N 3Å; K432-D453 WeakPolarHBondContact CE-OD1 3.31Å; K432-D453 WeakPolarHBondContact CE-OD2 3.48Å; K432-D453 IonicContact NZ-OD1 2.92Å; K432-D453 PolarHBondContact NZ-OD1 2.82Å; K432-D453 IonicContact NZ-OD2 3.62Å; K432-D453 PolarHBondContact NZ-OD2 3.16Å; K432-I454 WeakPolarHBondContact O-CB 3.47Å; K432-I454 WeakPolarHBondContact O-CD1 3.33Å; K432-I454 VanDerWaalsContact O-CG1 3.27Å; K432-I454 WeakPolarHBondContact O-CG1 3.16Å; K432-I454 PolarHBondContact O-N 3.18Å; K432-T455 HydrophobicContact CD-CG2 3.79Å; K432-T455 PolarHBondContact NZ-OG1 3.18Å
433	F	97.4	Very high	93.8	Very high	44 Å²	44	31.3 Å²	31.3	19%	0.193	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.6	-171.9	-60.9	-76.3	0	0	0	112.7	V429 I430 G431 Y435 R451 Y452 D453	V429-F433 WeakPolarHBondContact CA-O 3.19Å; I430-F433 PolarHBondContact N-O 2.75Å; I430-F433 PolarHBondContact O-N 3.3Å; I430-F433 VanDerWaalsContact O-N 3.16Å; G431-F433 VanDerWaalsContact C-N 3.3Å; G431-F433 PolarHBondContact O-N 2.95Å; F433-Y435 HydrophobicContact CB-CD2 4.25Å; F433-Y435 HydrophobicContact CB-CE2 3.52Å; F433-R451 HydrophobicContact CB-CB 4.47Å; F433-R451 HydrophobicContact CD1-CG 4.09Å; F433-Y452 VanDerWaalsContact CA-O 3.24Å; F433-Y452 WeakPolarHBondContact CA-O 3.49Å; F433-D453 HydrophobicContact CD1-CB 4.04Å; F433-D453 HydrophobicContact CE1-CB 3.81Å
434	I	98	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119	169.4	-47	-178.9	0	0	0	108.3	A376 V378 F383 L385 V427 V429 R451 Y452 I454	A376-I434 HydrophobicContact CB-CD1 4.4Å; A376-I434 HydrophobicContact CB-CG2 3.96Å; V378-I434 HydrophobicContact CG2-CD1 4.16Å; V378-I434 HydrophobicContact CG2-CG1 4.48Å; F383-I434 HydrophobicContact CB-CD1 4.17Å; F383-I434 HydrophobicContact CD1-CD1 3.89Å; F383-I434 HydrophobicContact CD2-CD1 3.94Å; F383-I434 HydrophobicContact CE1-CD1 4.19Å; F383-I434 HydrophobicContact CE2-CD1 4.24Å; F383-I434 HydrophobicContact CG-CD1 3.75Å; F383-I434 HydrophobicContact CZ-CD1 4.35Å; L385-I434 HydrophobicContact CD2-CG2 3.91Å; V427-I434 HydrophobicContact CG1-CG2 3.4Å; V427-I434 VanDerWaalsContact CG1-CG2 3.4Å; V429-I434 HydrophobicContact CG2-CG1 4.33Å; V429-I434 HydrophobicContact CG2-CG2 4.47Å; I434-R451 CarbonylContact O-C 3.45Å; I434-R451 WeakPolarHBondContact O-CA 3.45Å; I434-Y452 HydrophobicContact CB-CD1 4.34Å; I434-Y452 HydrophobicContact CD1-CD1 4Å; I434-Y452 HydrophobicContact CD1-CE1 4.47Å; I434-Y452 HydrophobicContact CG1-CD1 4.11Å; I434-Y452 PolarHBondContact N-O 2.75Å; I434-Y452 PolarHBondContact O-N 2.96Å; I434-I454 HydrophobicContact CD1-CD1 4.09Å; I434-I454 HydrophobicContact CD1-CG1 4.15Å; I434-I454 HydrophobicContact CG1-CD1 3.78Å; I434-I454 HydrophobicContact CG1-CG1 3.95Å
435	Y	97.4	Very high	93.6	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.1	-178.7	-67	-98.9	0	0	0	110.2	V427 G428 I430 F433 E450 R451 V462 F499	V427-Y435 WeakPolarHBondContact CA-O 3.48Å; G428-Y435 PolarHBondContact N-O 2.84Å; G428-Y435 VanDerWaalsContact N-O 3.11Å; G428-Y435 PolarHBondContact O-N 3.5Å; I430-Y435 HydrophobicContact CB-CD2 4.4Å; I430-Y435 HydrophobicContact CB-CE2 3.91Å; I430-Y435 HydrophobicContact CD1-CD2 4.27Å; I430-Y435 HydrophobicContact CD1-CE2 4.17Å; I430-Y435 HydrophobicContact CG1-CD2 4.37Å; I430-Y435 HydrophobicContact CG1-CE2 4.29Å; F433-Y435 HydrophobicContact CB-CD2 4.25Å; F433-Y435 HydrophobicContact CB-CE2 3.52Å; Y435-E450 CarbonylContact C-O 3.56Å; Y435-E450 WeakPolarHBondContact CA-O 3.38Å; Y435-R451 HydrophobicContact CD1-CB 3.67Å; Y435-R451 HydrophobicContact CE1-CB 3.54Å; Y435-R451 HydrophobicContact CE1-CG 4.29Å; Y435-R451 HydrophobicContact CE2-CB 4.49Å; Y435-R451 HydrophobicContact CG-CB 4.21Å; Y435-V462 HydrophobicContact CD1-CG2 4.28Å; Y435-V462 HydrophobicContact CE1-CG2 4.34Å; Y435-F499 HydrophobicContact CD1-CD1 4.35Å; Y435-F499 AromaticContact CD1-CE1 3.75Å; Y435-F499 HydrophobicContact CD1-CE1 3.75Å; Y435-F499 HydrophobicContact CD1-CZ 4.29Å; Y435-F499 HydrophobicContact CE1-CD1 4.32Å; Y435-F499 AromaticContact CE1-CE1 3.36Å; Y435-F499 HydrophobicContact CE1-CE1 3.36Å; Y435-F499 AromaticContact CE1-CZ 3.83Å; Y435-F499 HydrophobicContact CE1-CZ 3.83Å; Y435-F499 AromaticContact CZ-CE1 3.92Å
436	A	96.6	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120	173.3	0	0	0	0	0	109.8	M418 F425 V427 T449 E450 W459	M418-A436 HydrophobicContact SD-CB 3.9Å; F425-A436 HydrophobicContact CD2-CB 3.99Å; F425-A436 HydrophobicContact CE2-CB 3.73Å; V427-A436 HydrophobicContact CG2-CB 4.42Å; A436-T449 WeakPolarHBondContact O-CA 3.22Å; A436-E450 PolarHBondContact N-O 2.66Å; A436-E450 PolarHBondContact O-N 2.86Å; A436-W459 HydrophobicContact CB-CH2 3.91Å; A436-W459 HydrophobicContact CB-CZ3 3.69Å
437	V	96.1	Very high	93	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.8	-166.1	-173.1	0	0	0	0	111.8	A426 T449 Y465 H472 L481 I483 W532	A426-V437 PolarHBondContact N-O 2.82Å; A426-V437 PolarHBondContact O-N 3.03Å; V437-T449 HydrophobicContact CG2-CG2 3.94Å; V437-Y465 HydrophobicContact CG1-CD2 3.79Å; V437-Y465 HydrophobicContact CG1-CG 3.9Å; V437-H472 PolarHBondContact O-NE2 3.49Å; V437-L481 HydrophobicContact CG2-CD2 3.67Å; V437-I483 HydrophobicContact CB-CD1 4.22Å; V437-I483 HydrophobicContact CG1-CD1 4.28Å; V437-I483 HydrophobicContact CG1-CG1 4.25Å; V437-I483 HydrophobicContact CG2-CD1 4.16Å; V437-W532 HydrophobicContact CG1-CH2 3.65Å; V437-W532 HydrophobicContact CG1-CZ2 3.83Å; V437-W532 HydrophobicContact CG2-CH2 4.01Å; V437-W532 HydrophobicContact CG2-CZ2 4.26Å
438	A	94.8	Very high	92.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.9	-141.5	173	0	0	0	0	0	112.8	R422 F425 F446 S448 Y465 K469	R422-A438 PolarHBondContact NH1-O 2.94Å; F425-A438 WeakPolarHBondContact CB-O 3.19Å; A438-F446 VanDerWaalsContact CB-O 3.31Å; A438-F446 WeakPolarHBondContact CB-O 3.43Å; A438-S448 PolarHBondContact N-O 2.9Å; A438-Y465 HydrophobicContact CB-CD1 4.19Å; A438-K469 WeakPolarHBondContact CB-O 3.47Å
439	G	93.7	Very high	92.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	-165.5	-176.4	0	0	0	0	0	113.3	S423 F446 K469	S423-G439 WeakPolarHBondContact O-CA 3.44Å; G439-F446 PolarHBondContact O-N 3.43Å; G439-K469 PolarHBondContact N-O 3.05Å
440	R	92	Very high	92.8	Very high	55 Å²	55	43.3 Å²	43.3	21%	0.208	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	170.7	-176.8	67.6	176.1	-173.6	90.2	2.7	114.2	S423 E424 E444 Y470	S423-R440 PolarHBondContact N-O 2.82Å; S423-R440 PolarHBondContact O-N 2.81Å; S423-R440 PolarHBondContact OG-O 2.73Å; E424-R440 VanDerWaalsContact CD-NE 3.3Å; E424-R440 VanDerWaalsContact CD-NH2 3.32Å; E424-R440 IonicContact OE1-CZ 2.76Å; E424-R440 IonicContact OE1-NE 3.97Å; E424-R440 IonicContact OE1-NH2 3.79Å; E424-R440 PolarHBondContact OE1-NH2 3.5Å; E424-R440 IonicContact OE2-CZ 2.69Å; E424-R440 IonicContact OE2-NE 2.79Å; E424-R440 PolarHBondContact OE2-NE 3.12Å; E424-R440 IonicContact OE2-NH2 3.83Å; E424-R440 PolarHBondContact OE2-NH2 2.68Å; R440-E444 CarbonylContact C-O 3.55Å; R440-E444 VanDerWaalsContact CA-O 3.28Å; R440-E444 WeakPolarHBondContact CA-O 3.32Å; R440-E444 VanDerWaalsContact CB-O 3.28Å; R440-E444 WeakPolarHBondContact CB-O 3.43Å; R440-Y470 HydrophobicContact CB-CD1 4.41Å; R440-Y470 HydrophobicContact CB-CG 4.35Å; R440-Y470 HydrophobicContact CG-CD2 4.45Å; R440-Y470 HydrophobicContact CG-CG 4.12Å
441	T	89.6	Confident	92.8	Very high	25 Å²	25	44 Å²	44	15%	0.153	22%	0.219	C	C	.	.			trans	-107.2	-162.1	153.7	57.7	0	0	0	0	109.4	A398 P421 D443 E444 F446	A398-T441 HydrophobicContact CB-CG2 3.8Å; P421-T441 HydrophobicContact CG-CG2 4.25Å; T441-D443 VanDerWaalsContact C-N 3.3Å; T441-D443 PolarHBondContact OG1-N 3.04Å; T441-E444 PolarHBondContact N-O 3.21Å; T441-E444 PolarHBondContact OG1-N 3.17Å; T441-E444 VanDerWaalsContact OG1-N 3.12Å; T441-F446 HydrophobicContact CG2-CE2 3.63Å; T441-F446 HydrophobicContact CG2-CZ 3.88Å
442	R	82.8	Confident	93	Very high	136 Å²	136	41 Å²	41	51%	0.513	19%	0.187	S	C	.	.	S	Bend	trans	-61.1	-39.3	166.2	-175.1	-174.5	-166.5	120.9	6.5	112	E395	E395-R442 IonicContact OE2-CZ 3.2Å; E395-R442 IonicContact OE2-NH1 3.82Å; E395-R442 PolarHBondContact OE2-NH1 2.81Å; E395-R442 IonicContact OE2-NH2 3.2Å; E395-R442 PolarHBondContact OE2-NH2 3.33Å
443	D	83.9	Confident	93.1	Very high	134 Å²	134	38.6 Å²	38.6	72%	0.717	18%	0.177	S	C	*	.	S	Bend	trans	-111.7	-27.8	-162.8	-49	-65.4	0	0	0	113.6	T441	T441-D443 VanDerWaalsContact C-N 3.3Å; T441-D443 PolarHBondContact OG1-N 3.04Å
444	E	88.2	Confident	93.1	Very high	125 Å²	125	36.6 Å²	36.6	58%	0.584	17%	0.168	S	C	*	.			trans	-127.3	152.3	-176.7	-65.1	-166.1	149.5	0	0	112.6	R440 T441 F446	R440-E444 CarbonylContact C-O 3.55Å; R440-E444 VanDerWaalsContact CA-O 3.28Å; R440-E444 WeakPolarHBondContact CA-O 3.32Å; R440-E444 VanDerWaalsContact CB-O 3.28Å; R440-E444 WeakPolarHBondContact CB-O 3.43Å; T441-E444 PolarHBondContact N-O 3.21Å; T441-E444 PolarHBondContact OG1-N 3.17Å; T441-E444 VanDerWaalsContact OG1-N 3.12Å; E444-F446 HydrophobicContact CB-CE1 3.78Å; E444-F446 HydrophobicContact CB-CZ 3.8Å; E444-F446 WeakPolarHBondContact OE2-CE1 3.49Å
445	T	89.9	Confident	93	Very high	47 Å²	47	37.7 Å²	37.7	29%	0.288	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.8	169.8	-60.7	0	0	0	0	108.8	N468 K469 Y470	T445-N468 HydrophobicContact CG2-CB 4.03Å; T445-N468 PolarHBondContact O-OD1 2.91Å; T445-K469 VanDerWaalsContact CG2-N 3.34Å; T445-Y470 HydrophobicContact CG2-CD1 3.86Å
446	F	86.9	Confident	92.9	Very high	32 Å²	32	42.1 Å²	42.1	14%	0.14	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	159.6	-173	-51.7	-65.8	0	0	0	112.6	V420 A438 G439 T441 E444 N468	V420-F446 HydrophobicContact CG1-CD1 4.42Å; V420-F446 HydrophobicContact CG1-CD2 3.94Å; V420-F446 HydrophobicContact CG1-CE1 4.29Å; V420-F446 HydrophobicContact CG1-CE2 3.78Å; V420-F446 HydrophobicContact CG1-CG 4.25Å; V420-F446 HydrophobicContact CG1-CZ 3.97Å; A438-F446 VanDerWaalsContact CB-O 3.31Å; A438-F446 WeakPolarHBondContact CB-O 3.43Å; G439-F446 PolarHBondContact O-N 3.43Å; T441-F446 HydrophobicContact CG2-CE2 3.63Å; T441-F446 HydrophobicContact CG2-CZ 3.88Å; E444-F446 HydrophobicContact CB-CE1 3.78Å; E444-F446 HydrophobicContact CB-CZ 3.8Å; E444-F446 WeakPolarHBondContact OE2-CE1 3.49Å; F446-N468 VanDerWaalsContact C-OD1 3.31Å
447	Y	90.9	Very high	92.9	Very high	127 Å²	127	44.5 Å²	44.5	50%	0.498	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-7.1	172.6	70.3	-73.1	0	0	0	111.9	P464 Y465 N468	Y447-P464 HydrophobicContact CD2-CB 3.83Å; Y447-P464 HydrophobicContact CD2-CG 4.46Å; Y447-P464 HydrophobicContact CE2-CB 3.97Å; Y447-P464 HydrophobicContact CE2-CG 4.22Å; Y447-Y465 WeakPolarHBondContact CB-O 3.18Å; Y447-Y465 WeakPolarHBondContact CD2-O 3.38Å; Y447-Y465 WeakPolarHBondContact O-CB 3.19Å; Y447-Y465 PolarHBondContact O-N 3.11Å; Y447-N468 WeakPolarHBondContact CB-OD1 3.33Å; Y447-N468 WeakPolarHBondContact CD1-OD1 3.37Å; Y447-N468 PolarHBondContact N-OD1 3.34Å
448	S	93.8	Very high	93	Very high	23 Å²	23	50.8 Å²	50.8	16%	0.161	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	140.3	174.4	54.3	0	0	0	0	110.6	R422 A438	R422-S448 PolarHBondContact NH1-O 2.81Å; R422-S448 PolarHBondContact NH2-O 2.93Å; R422-S448 PolarHBondContact NH2-OG 3.28Å; A438-S448 PolarHBondContact N-O 2.9Å
449	T	95.4	Very high	93.2	Very high	1 Å²	1	52 Å²	52	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.7	172.6	-60.4	0	0	0	0	108.3	A436 V437 V462 Y465 W532	A436-T449 WeakPolarHBondContact O-CA 3.22Å; V437-T449 HydrophobicContact CG2-CG2 3.94Å; T449-V462 HydrophobicContact CG2-CG2 3.58Å; T449-V462 PolarHBondContact O-N 2.85Å; T449-Y465 PolarHBondContact OG1-N 2.82Å; T449-W532 HydrophobicContact CG2-CZ2 4.35Å
450	E	96.2	Very high	93.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.6	177	-63.3	175.4	-116.6	0	0	109.1	S419 V420 R422 Y435 A436 W459 E460 F461	S419-E450 WeakPolarHBondContact CA-OE2 3.2Å; S419-E450 WeakPolarHBondContact CB-OE2 3.38Å; S419-E450 PolarHBondContact N-OE2 2.85Å; S419-E450 PolarHBondContact OG-OE2 3.11Å; V420-E450 PolarHBondContact N-OE1 2.9Å; R422-E450 IonicContact CZ-OE1 3.54Å; R422-E450 IonicContact NE-OE1 2.8Å; R422-E450 PolarHBondContact NE-OE1 3.35Å; R422-E450 IonicContact NH2-OE1 2.78Å; R422-E450 PolarHBondContact NH2-OE1 3.27Å; Y435-E450 CarbonylContact C-O 3.56Å; Y435-E450 WeakPolarHBondContact CA-O 3.38Å; A436-E450 PolarHBondContact N-O 2.66Å; A436-E450 PolarHBondContact O-N 2.86Å; E450-W459 HydrophobicContact CB-CE3 3.65Å; E450-W459 HydrophobicContact CB-CZ3 4.11Å; E450-E460 CarbonylContact C-O 3.58Å; E450-E460 VanDerWaalsContact CA-O 3.3Å; E450-E460 WeakPolarHBondContact CA-O 3.39Å; E450-F461 HydrophobicContact CG-CD1 3.5Å; E450-F461 VanDerWaalsContact CG-CD1 3.5Å; E450-F461 HydrophobicContact CG-CE1 3.51Å; E450-F461 HydrophobicContact CG-CG 4.32Å; E450-F461 HydrophobicContact CG-CZ 4.35Å
451	R	97	Very high	93.5	Very high	39 Å²	39	58.7 Å²	58.7	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.4	165.8	75.8	179.4	168.5	-134.7	-7.6	110.6	F433 I434 Y435 W459 E460 V462 E504	F433-R451 HydrophobicContact CB-CB 4.47Å; F433-R451 HydrophobicContact CD1-CG 4.09Å; I434-R451 CarbonylContact O-C 3.45Å; I434-R451 WeakPolarHBondContact O-CA 3.45Å; Y435-R451 HydrophobicContact CD1-CB 3.67Å; Y435-R451 HydrophobicContact CE1-CB 3.54Å; Y435-R451 HydrophobicContact CE1-CG 4.29Å; Y435-R451 HydrophobicContact CE2-CB 4.49Å; Y435-R451 HydrophobicContact CG-CB 4.21Å; R451-W459 WeakPolarHBondContact O-CA 3.42Å; R451-E460 HydrophobicContact CG-CG 3.78Å; R451-E460 IonicContact CZ-OE1 2.76Å; R451-E460 PolarHBondContact N-O 2.73Å; R451-E460 IonicContact NE-OE1 2.85Å; R451-E460 PolarHBondContact NE-OE1 3.37Å; R451-E460 IonicContact NH2-OE1 2.72Å; R451-E460 PolarHBondContact NH2-OE1 3.32Å; R451-E460 PolarHBondContact O-N 3.03Å; R451-V462 HydrophobicContact CB-CG1 4.19Å; R451-V462 HydrophobicContact CG-CG1 3.68Å; R451-E504 IonicContact CZ-OE2 3.18Å; R451-E504 IonicContact NH1-OE1 3.81Å; R451-E504 PolarHBondContact NH1-OE1 2.85Å; R451-E504 IonicContact NH1-OE2 2.76Å; R451-E504 PolarHBondContact NH1-OE2 3.46Å; R451-E504 IonicContact NH2-OE2 2.71Å
452	Y	98.1	Very high	93.7	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.4	171.2	176.2	-111.9	0	0	0	109.3	F383 M415 A416 F433 I434 I454 D457 R458 W459	F383-Y452 HydrophobicContact CE1-CE1 4.04Å; M415-Y452 WeakPolarHBondContact CE-OH 3.45Å; A416-Y452 HydrophobicContact CB-CE2 4.49Å; F433-Y452 VanDerWaalsContact CA-O 3.24Å; F433-Y452 WeakPolarHBondContact CA-O 3.49Å; I434-Y452 HydrophobicContact CB-CD1 4.34Å; I434-Y452 HydrophobicContact CD1-CD1 4Å; I434-Y452 HydrophobicContact CD1-CE1 4.47Å; I434-Y452 HydrophobicContact CG1-CD1 4.11Å; I434-Y452 PolarHBondContact N-O 2.75Å; I434-Y452 PolarHBondContact O-N 2.96Å; Y452-I454 HydrophobicContact CD1-CG1 3.75Å; Y452-I454 HydrophobicContact CE1-CB 4.16Å; Y452-I454 HydrophobicContact CE1-CG1 3.72Å; Y452-I454 PolarHBondContact O-N 3.48Å; Y452-D457 WeakPolarHBondContact CE2-OD1 3.41Å; Y452-D457 PolarHBondContact OH-OD1 2.58Å; Y452-R458 CarbonylContact C-O 3.59Å; Y452-R458 WeakPolarHBondContact CA-O 3.38Å; Y452-W459 AromaticContact CD2-CD1 3.86Å; Y452-W459 HydrophobicContact CD2-CD2 4.1Å; Y452-W459 AromaticContact CD2-CE2 3.69Å; Y452-W459 HydrophobicContact CD2-CG 4.22Å; Y452-W459 HydrophobicContact CD2-CZ2 4.19Å; Y452-W459 AromaticContact CD2-NE1 3.5Å; Y452-W459 HydrophobicContact CG-CD2 4.35Å; Y452-W459 AromaticContact CG-CE2 3.96Å; Y452-W459 HydrophobicContact CG-CZ2 4.05Å
453	D	97.4	Very high	94.2	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105.7	171.1	-169.7	-29.9	0	0	0	109.4	K432 F433 T455 E456 D457 R458	K432-D453 WeakPolarHBondContact CE-OD1 3.31Å; K432-D453 WeakPolarHBondContact CE-OD2 3.48Å; K432-D453 IonicContact NZ-OD1 2.92Å; K432-D453 PolarHBondContact NZ-OD1 2.82Å; K432-D453 IonicContact NZ-OD2 3.62Å; K432-D453 PolarHBondContact NZ-OD2 3.16Å; F433-D453 HydrophobicContact CD1-CB 4.04Å; F433-D453 HydrophobicContact CE1-CB 3.81Å; D453-T455 PolarHBondContact O-N 2.98Å; D453-T455 PolarHBondContact OD1-N 3.46Å; D453-T455 PolarHBondContact OD1-OG1 3.05Å; D453-E456 HydrophobicContact CB-CB 4.09Å; D453-E456 PolarHBondContact O-N 3.21Å; D453-E456 PolarHBondContact OD1-N 2.87Å; D453-D457 PolarHBondContact O-N 2.74Å; D453-R458 HydrophobicContact CB-CG 4.23Å; D453-R458 PolarHBondContact N-O 2.74Å
454	I	96.9	Very high	94.7	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.4	-176.8	-61.6	167.1	0	0	0	111.5	N316 P319 L320 V378 F383 K432 I434 Y452	N316-I454 WeakPolarHBondContact O-CG2 3.41Å; P319-I454 HydrophobicContact CB-CG2 4.5Å; P319-I454 HydrophobicContact CG-CG2 4.22Å; L320-I454 HydrophobicContact CD1-CB 4.19Å; L320-I454 HydrophobicContact CD1-CG2 4.12Å; L320-I454 HydrophobicContact CD2-CD1 4.17Å; L320-I454 HydrophobicContact CG-CG2 4.2Å; V378-I454 HydrophobicContact CB-CD1 4.46Å; V378-I454 HydrophobicContact CG1-CD1 3.99Å; V378-I454 HydrophobicContact CG2-CD1 3.92Å; F383-I454 HydrophobicContact CZ-CG2 4.41Å; K432-I454 WeakPolarHBondContact O-CB 3.47Å; K432-I454 WeakPolarHBondContact O-CD1 3.33Å; K432-I454 VanDerWaalsContact O-CG1 3.27Å; K432-I454 WeakPolarHBondContact O-CG1 3.16Å; K432-I454 PolarHBondContact O-N 3.18Å; I434-I454 HydrophobicContact CD1-CD1 4.09Å; I434-I454 HydrophobicContact CD1-CG1 4.15Å; I434-I454 HydrophobicContact CG1-CD1 3.78Å; I434-I454 HydrophobicContact CG1-CG1 3.95Å; Y452-I454 HydrophobicContact CD1-CG1 3.75Å; Y452-I454 HydrophobicContact CE1-CB 4.16Å; Y452-I454 HydrophobicContact CE1-CG1 3.72Å; Y452-I454 PolarHBondContact O-N 3.48Å
455	T	95.4	Very high	94.8	Very high	23 Å²	23	44.6 Å²	44.6	14%	0.141	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-30.2	-178.5	60.3	0	0	0	0	112.9	Q317 L320 K432 D453	Q317-T455 VanDerWaalsContact OE1-CG2 3.22Å; L320-T455 HydrophobicContact CD1-CG2 3.36Å; K432-T455 HydrophobicContact CD-CG2 3.79Å; K432-T455 PolarHBondContact NZ-OG1 3.18Å; D453-T455 PolarHBondContact O-N 2.98Å; D453-T455 PolarHBondContact OD1-N 3.46Å; D453-T455 PolarHBondContact OD1-OG1 3.05Å
456	E	95.8	Very high	94.8	Very high	98 Å²	98	45.7 Å²	45.7	46%	0.458	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-1	-170.6	-64.7	-69.4	153.5	0	0	113.6	D453 R458	D453-E456 HydrophobicContact CB-CB 4.09Å; D453-E456 PolarHBondContact O-N 3.21Å; D453-E456 PolarHBondContact OD1-N 2.87Å; E456-R458 VanDerWaalsContact C-N 3.32Å; E456-R458 HydrophobicContact CB-CG 3.98Å; E456-R458 PolarHBondContact O-N 3Å; E456-R458 IonicContact OE2-CZ 3.18Å; E456-R458 IonicContact OE2-NH2 3.48Å; E456-R458 PolarHBondContact OE2-NH2 3.18Å
457	D	96.9	Very high	94.9	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	54.3	-177	-168.5	24	0	0	0	112.7	N316 A416 Y452 D453	N316-D457 WeakPolarHBondContact ND2-CB 3.43Å; A416-D457 WeakPolarHBondContact CB-O 3.36Å; A416-D457 VanDerWaalsContact CB-OD1 3.25Å; A416-D457 WeakPolarHBondContact CB-OD1 3.39Å; A416-D457 PolarHBondContact N-OD1 3.34Å; Y452-D457 WeakPolarHBondContact CE2-OD1 3.41Å; Y452-D457 PolarHBondContact OH-OD1 2.58Å; D453-D457 PolarHBondContact O-N 2.74Å
458	R	97.5	Very high	94.7	Very high	133 Å²	133	44.3 Å²	44.3	50%	0.502	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.8	-179	72.6	178.8	76.1	168.5	12.2	112	Y452 D453 E456	Y452-R458 CarbonylContact C-O 3.59Å; Y452-R458 WeakPolarHBondContact CA-O 3.38Å; D453-R458 HydrophobicContact CB-CG 4.23Å; D453-R458 PolarHBondContact N-O 2.74Å; E456-R458 VanDerWaalsContact C-N 3.32Å; E456-R458 HydrophobicContact CB-CG 3.98Å; E456-R458 PolarHBondContact O-N 3Å; E456-R458 IonicContact OE2-CZ 3.18Å; E456-R458 IonicContact OE2-NH2 3.48Å; E456-R458 PolarHBondContact OE2-NH2 3.18Å
459	W	98	Very high	94.5	Very high	26 Å²	26	43.2 Å²	43.2	10%	0.098	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.1	169	-68.4	89.7	0	0	0	110.8	L385 V402 A416 D417 M418 A436 E450 R451 Y452	L385-W459 HydrophobicContact CD2-CH2 3.71Å; L385-W459 HydrophobicContact CD2-CZ2 3.9Å; V402-W459 HydrophobicContact CG2-CZ2 3.75Å; A416-W459 PolarHBondContact O-NE1 2.79Å; D417-W459 VanDerWaalsContact C-CD1 3.46Å; M418-W459 HydrophobicContact CB-CD2 4.45Å; M418-W459 HydrophobicContact CG-CD2 3.83Å; M418-W459 VanDerWaalsContact CG-CE2 3.41Å; M418-W459 HydrophobicContact CG-CE3 4.17Å; M418-W459 HydrophobicContact CG-CH2 3.75Å; M418-W459 HydrophobicContact CG-CZ2 3.38Å; M418-W459 HydrophobicContact CG-CZ3 4.13Å; M418-W459 HydrophobicContact SD-CH2 3.99Å; M418-W459 HydrophobicContact SD-CZ2 4.11Å; M418-W459 HydrophobicContact SD-CZ3 4.47Å; A436-W459 HydrophobicContact CB-CH2 3.91Å; A436-W459 HydrophobicContact CB-CZ3 3.69Å; E450-W459 HydrophobicContact CB-CE3 3.65Å; E450-W459 HydrophobicContact CB-CZ3 4.11Å; R451-W459 WeakPolarHBondContact O-CA 3.42Å; Y452-W459 AromaticContact CD2-CD1 3.86Å; Y452-W459 HydrophobicContact CD2-CD2 4.1Å; Y452-W459 AromaticContact CD2-CE2 3.69Å; Y452-W459 HydrophobicContact CD2-CG 4.22Å; Y452-W459 HydrophobicContact CD2-CZ2 4.19Å; Y452-W459 AromaticContact CD2-NE1 3.5Å; Y452-W459 HydrophobicContact CG-CD2 4.35Å; Y452-W459 AromaticContact CG-CE2 3.96Å; Y452-W459 HydrophobicContact CG-CZ2 4.05Å
460	E	97	Very high	94.4	Very high	77 Å²	77	45.6 Å²	45.6	36%	0.36	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.2	168.2	63.4	-179.6	-175.3	0	0	111.2	E450 R451	E450-E460 CarbonylContact C-O 3.58Å; E450-E460 VanDerWaalsContact CA-O 3.3Å; E450-E460 WeakPolarHBondContact CA-O 3.39Å; R451-E460 HydrophobicContact CG-CG 3.78Å; R451-E460 IonicContact CZ-OE1 2.76Å; R451-E460 PolarHBondContact N-O 2.73Å; R451-E460 IonicContact NE-OE1 2.85Å; R451-E460 PolarHBondContact NE-OE1 3.37Å; R451-E460 IonicContact NH2-OE1 2.72Å; R451-E460 PolarHBondContact NH2-OE1 3.32Å; R451-E460 PolarHBondContact O-N 3.03Å
461	F	95.8	Very high	94.2	Very high	118 Å²	118	45.8 Å²	45.8	52%	0.518	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.8	175.4	-69	-74.8	0	0	0	111.1	V420 E450	V420-F461 HydrophobicContact CG2-CE1 4.08Å; V420-F461 HydrophobicContact CG2-CZ 4.02Å; E450-F461 HydrophobicContact CG-CD1 3.5Å; E450-F461 VanDerWaalsContact CG-CD1 3.5Å; E450-F461 HydrophobicContact CG-CE1 3.51Å; E450-F461 HydrophobicContact CG-CG 4.32Å; E450-F461 HydrophobicContact CG-CZ 4.35Å
462	V	94.7	Very high	94.1	Very high	18 Å²	18	44 Å²	44	11%	0.109	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-176.2	174.2	-62.6	0	0	0	0	110.4	Y435 T449 R451 P464 F499	Y435-V462 HydrophobicContact CD1-CG2 4.28Å; Y435-V462 HydrophobicContact CE1-CG2 4.34Å; T449-V462 HydrophobicContact CG2-CG2 3.58Å; T449-V462 PolarHBondContact O-N 2.85Å; R451-V462 HydrophobicContact CB-CG1 4.19Å; R451-V462 HydrophobicContact CG-CG1 3.68Å; V462-P464 WeakPolarHBondContact O-CD 3.42Å; V462-P464 VanDerWaalsContact O-N 3.09Å; V462-F499 HydrophobicContact CG2-CZ 4.36Å
463	D	92.8	Very high	93.9	Very high	47 Å²	47	45.4 Å²	45.4	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-45.6	113.8	177.9	-127.8	39.6	0	0	0	111.3	F499 S530 C531 W532	D463-F499 HydrophobicContact CB-CE2 4.16Å; D463-S530 WeakPolarHBondContact OD2-CA 3.29Å; D463-S530 WeakPolarHBondContact OD2-CB 3.36Å; D463-S530 PolarHBondContact OD2-OG 2.83Å; D463-C531 HydrophobicContact CB-CB 4.12Å; D463-C531 PolarHBondContact OD2-N 2.94Å; D463-W532 PolarHBondContact O-NE1 3.32Å
464	P	93	Very high	93.8	Very high	59 Å²	59	45.1 Å²	45.1	38%	0.383	23%	0.228	S	C	.	.			trans	-73.7	149.8	-169.5	29.7	-35.8	0	0	0	111.7	Y447 V462 W532	Y447-P464 HydrophobicContact CD2-CB 3.83Å; Y447-P464 HydrophobicContact CD2-CG 4.46Å; Y447-P464 HydrophobicContact CE2-CB 3.97Å; Y447-P464 HydrophobicContact CE2-CG 4.22Å; V462-P464 WeakPolarHBondContact O-CD 3.42Å; V462-P464 VanDerWaalsContact O-N 3.09Å; P464-W532 PolarHBondContact O-NE1 3.06Å
465	Y	92.2	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.			trans	-65.1	139.3	179.9	-178.7	-102.4	0	0	0	110.1	V437 A438 Y447 T449 V467 K469 I483 C497 W532	V437-Y465 HydrophobicContact CG1-CD2 3.79Å; V437-Y465 HydrophobicContact CG1-CG 3.9Å; A438-Y465 HydrophobicContact CB-CD1 4.19Å; Y447-Y465 WeakPolarHBondContact CB-O 3.18Å; Y447-Y465 WeakPolarHBondContact CD2-O 3.38Å; Y447-Y465 WeakPolarHBondContact O-CB 3.19Å; Y447-Y465 PolarHBondContact O-N 3.11Å; T449-Y465 PolarHBondContact OG1-N 2.82Å; Y465-V467 VanDerWaalsContact C-N 3.26Å; Y465-V467 WeakPolarHBondContact CD1-O 3.31Å; Y465-V467 HydrophobicContact CE1-CB 4.07Å; Y465-V467 VanDerWaalsContact CE1-O 3.22Å; Y465-V467 WeakPolarHBondContact CE1-O 3.44Å; Y465-V467 PolarHBondContact O-N 3.43Å; Y465-K469 HydrophobicContact CE1-CB 4.14Å; Y465-K469 HydrophobicContact CE1-CD 4.04Å; Y465-K469 PolarHBondContact OH-NZ 2.79Å; Y465-I483 HydrophobicContact CE2-CB 3.95Å; Y465-I483 HydrophobicContact CE2-CG1 4.24Å; Y465-I483 HydrophobicContact CE2-CG2 3.76Å; Y465-C497 HydrophobicContact CE2-CB 3.77Å; Y465-C497 PolarHBondContact OH-SG 3.3Å; Y465-W532 AromaticContact CD2-CD2 4Å; Y465-W532 HydrophobicContact CD2-CD2 4Å; Y465-W532 AromaticContact CD2-CE2 3.99Å; Y465-W532 AromaticContact CD2-CE3 3.77Å; Y465-W532 HydrophobicContact CD2-CE3 3.77Å; Y465-W532 AromaticContact CD2-CH2 3.57Å; Y465-W532 HydrophobicContact CD2-CH2 3.57Å; Y465-W532 AromaticContact CD2-CZ2 3.79Å; Y465-W532 HydrophobicContact CD2-CZ2 3.79Å; Y465-W532 AromaticContact CD2-CZ3 3.55Å; Y465-W532 HydrophobicContact CD2-CZ3 3.55Å; Y465-W532 HydrophobicContact CE2-CE3 4.14Å; Y465-W532 HydrophobicContact CE2-CH2 4.25Å; Y465-W532 AromaticContact CE2-CZ3 3.87Å; Y465-W532 HydrophobicContact CE2-CZ3 3.87Å; Y465-W532 HydrophobicContact CG-CZ2 4.45Å
466	P	89.4	Confident	93.9	Very high	70 Å²	70	46.6 Å²	46.6	46%	0.455	24%	0.237	S	C	.	.	S	Bend	trans	-72.3	-3.1	-167	24.8	-35.4	0	0	0	116.6	W532	P466-W532 HydrophobicContact CG-CB 4.4Å
467	V	88.2	Confident	93.9	Very high	46 Å²	46	42.5 Å²	42.5	28%	0.279	22%	0.218	S	C	.	.	S	Bend	trans	-147.4	126.2	-173.6	-175.2	0	0	0	0	112	Y465 K469 T488	Y465-V467 VanDerWaalsContact C-N 3.26Å; Y465-V467 WeakPolarHBondContact CD1-O 3.31Å; Y465-V467 HydrophobicContact CE1-CB 4.07Å; Y465-V467 VanDerWaalsContact CE1-O 3.22Å; Y465-V467 WeakPolarHBondContact CE1-O 3.44Å; Y465-V467 PolarHBondContact O-N 3.43Å; V467-K469 WeakPolarHBondContact O-CB 3.47Å; V467-K469 PolarHBondContact O-N 2.9Å; V467-K469 VanDerWaalsContact O-N 3.1Å; V467-T488 HydrophobicContact CG1-CG2 4.02Å
468	N	87.9	Confident	93.8	Very high	83 Å²	83	45.2 Å²	45.2	44%	0.444	23%	0.232	S	C	.	.			trans	-53.9	116.6	168.9	-85.6	-17.2	0	0	0	110.9	T445 F446 Y447	T445-N468 HydrophobicContact CG2-CB 4.03Å; T445-N468 PolarHBondContact O-OD1 2.91Å; F446-N468 VanDerWaalsContact C-OD1 3.31Å; Y447-N468 WeakPolarHBondContact CB-OD1 3.33Å; Y447-N468 WeakPolarHBondContact CD1-OD1 3.37Å; Y447-N468 PolarHBondContact N-OD1 3.34Å
469	K	89.9	Confident	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.			trans	-158	146.7	-169.1	-172.5	-179.2	-78.2	-177.2	0	112.4	A438 G439 T445 Y465 V467 H472 G485 I487	A438-K469 WeakPolarHBondContact CB-O 3.47Å; G439-K469 PolarHBondContact N-O 3.05Å; T445-K469 VanDerWaalsContact CG2-N 3.34Å; Y465-K469 HydrophobicContact CE1-CB 4.14Å; Y465-K469 HydrophobicContact CE1-CD 4.04Å; Y465-K469 PolarHBondContact OH-NZ 2.79Å; V467-K469 WeakPolarHBondContact O-CB 3.47Å; V467-K469 PolarHBondContact O-N 2.9Å; V467-K469 VanDerWaalsContact O-N 3.1Å; K469-H472 HydrophobicContact CD-CB 3.92Å; K469-H472 HydrophobicContact CG-CB 4.29Å; K469-H472 PolarHBondContact O-CE1 2.88Å; K469-H472 VanDerWaalsContact O-CE1 3.26Å; K469-G485 VanDerWaalsContact CD-O 3.23Å; K469-G485 WeakPolarHBondContact CD-O 3.22Å; K469-G485 WeakPolarHBondContact CE-O 3.45Å; K469-G485 PolarHBondContact NZ-O 3.17Å; K469-I487 WeakPolarHBondContact CA-O 3.25Å; K469-I487 WeakPolarHBondContact CG-O 3.48Å
470	Y	93.1	Very high	93.6	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.204	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.8	173.6	65.5	-94.7	0	0	0	110.9	E424 R440 T445 H472 G486 I487	E424-Y470 HydrophobicContact CB-CD2 4.45Å; E424-Y470 CarbonylContact O-C 3.55Å; E424-Y470 WeakPolarHBondContact O-CA 3.14Å; E424-Y470 WeakPolarHBondContact OE2-CD2 3.28Å; E424-Y470 WeakPolarHBondContact OE2-CE2 3.39Å; R440-Y470 HydrophobicContact CB-CD1 4.41Å; R440-Y470 HydrophobicContact CB-CG 4.35Å; R440-Y470 HydrophobicContact CG-CD2 4.45Å; R440-Y470 HydrophobicContact CG-CG 4.12Å; T445-Y470 HydrophobicContact CG2-CD1 3.86Å; Y470-H472 WeakPolarHBondContact CA-ND1 3.35Å; Y470-H472 PolarHBondContact O-N 2.89Å; Y470-G486 CarbonylContact O-C 3.58Å; Y470-G486 WeakPolarHBondContact O-CA 3.32Å; Y470-I487 HydrophobicContact CD1-CB 4.47Å; Y470-I487 HydrophobicContact CD2-CB 4.17Å; Y470-I487 HydrophobicContact CD2-CD1 4.1Å; Y470-I487 HydrophobicContact CE1-CB 4.11Å; Y470-I487 HydrophobicContact CE1-CG2 3.87Å; Y470-I487 HydrophobicContact CE2-CB 3.83Å; Y470-I487 HydrophobicContact CE2-CD1 3.43Å; Y470-I487 VanDerWaalsContact CE2-CD1 3.43Å; Y470-I487 HydrophobicContact CE2-CG1 4.19Å; Y470-I487 HydrophobicContact CE2-CG2 4.09Å; Y470-I487 PolarHBondContact N-O 3.27Å; Y470-I487 PolarHBondContact O-N 3.01Å
471	G	91.2	Very high	93.6	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.8	17	-178.5	0	0	0	0	0	113.9	E424 C543 F544	E424-G471 PolarHBondContact O-N 2.97Å; G471-C543 CarbonylContact O-C 3.39Å; G471-C543 VanDerWaalsContact O-CA 3.25Å; G471-C543 WeakPolarHBondContact O-CA 3.21Å; G471-C543 VanDerWaalsContact O-CB 3.28Å; G471-C543 WeakPolarHBondContact O-CB 3.31Å; G471-F544 PolarHBondContact O-N 3.49Å
472	H	94.8	Very high	93.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	162.3	167	50	-75.5	0	0	0	110.7	A426 V437 K469 Y470 I483 T484	A426-H472 WeakPolarHBondContact CB-CD2 3.14Å; V437-H472 PolarHBondContact O-NE2 3.49Å; K469-H472 HydrophobicContact CD-CB 3.92Å; K469-H472 HydrophobicContact CG-CB 4.29Å; K469-H472 PolarHBondContact O-CE1 2.88Å; K469-H472 VanDerWaalsContact O-CE1 3.26Å; Y470-H472 WeakPolarHBondContact CA-ND1 3.35Å; Y470-H472 PolarHBondContact O-N 2.89Å; H472-I483 HydrophobicContact CB-CG2 4.16Å; H472-T484 WeakPolarHBondContact CA-O 3.19Å; H472-T484 WeakPolarHBondContact CB-O 3.42Å
473	E	94.8	Very high	93.8	Very high	30 Å²	30	33 Å²	33	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.6	174.2	-72.7	-72.4	152	0	0	110.7	I483 T484 H545 K546 M547	E473-I483 WeakPolarHBondContact O-CA 3.42Å; E473-T484 PolarHBondContact N-O 3.03Å; E473-T484 PolarHBondContact O-N 2.81Å; E473-H545 WeakPolarHBondContact CG-O 3.13Å; E473-K546 VanDerWaalsContact CD-NZ 3.32Å; E473-K546 WeakPolarHBondContact OE1-CE 3.34Å; E473-K546 IonicContact OE1-NZ 2.61Å; E473-K546 PolarHBondContact OE1-NZ 2.86Å; E473-K546 WeakPolarHBondContact OE2-CD 3.45Å; E473-K546 IonicContact OE2-NZ 2.76Å; E473-K546 PolarHBondContact OE2-NZ 3.26Å; E473-M547 HydrophobicContact CB-CB 4.06Å; E473-M547 WeakPolarHBondContact O-CE 3.25Å
474	G	95.1	Very high	94	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145	177.9	0	0	0	0	0	111.9	Y482	G474-Y482 VanDerWaalsContact CA-O 3.27Å; G474-Y482 WeakPolarHBondContact CA-O 3.1Å
475	T	96.3	Very high	94.1	Very high	23 Å²	23	28 Å²	28	14%	0.141	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.2	169.4	-152.9	0	0	0	0	110.5	L481 Y482 M547 L554	T475-L481 WeakPolarHBondContact O-CD1 3.24Å; T475-Y482 PolarHBondContact N-O 2.97Å; T475-Y482 PolarHBondContact O-N 2.9Å; T475-M547 HydrophobicContact CG2-CE 4.08Å; T475-M547 HydrophobicContact CG2-CG 3.88Å; T475-M547 HydrophobicContact CG2-SD 4.32Å; T475-L554 HydrophobicContact CG2-CD2 3.46Å; T475-L554 VanDerWaalsContact CG2-CD2 3.46Å
476	V	97.1	Very high	94.2	Very high	33 Å²	33	28 Å²	28	20%	0.2	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	-176.7	177.1	0	0	0	0	110.7	V429 I430 K480 L481 S549	V429-V476 WeakPolarHBondContact O-CG2 3.34Å; I430-V476 HydrophobicContact CG1-CG1 4.08Å; I430-V476 HydrophobicContact CG1-CG2 4.04Å; V476-K480 WeakPolarHBondContact CA-O 3.37Å; V476-L481 HydrophobicContact CG2-CB 4.21Å; V476-L481 HydrophobicContact CG2-CD1 4.14Å; V476-S549 VanDerWaalsContact O-CB 3.31Å; V476-S549 WeakPolarHBondContact O-CB 3.4Å; V476-S549 PolarHBondContact O-OG 3.18Å
477	L	97	Very high	94.3	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	133.7	176.3	176	61.5	0	0	0	109	G479 K480 Y482 L554 P581	L477-G479 PolarHBondContact O-N 2.95Å; L477-G479 VanDerWaalsContact O-N 3.11Å; L477-K480 PolarHBondContact N-O 3.49Å; L477-K480 PolarHBondContact O-N 3.42Å; L477-Y482 HydrophobicContact CB-CD2 4.07Å; L477-Y482 HydrophobicContact CB-CE2 3.91Å; L477-Y482 HydrophobicContact CG-CE2 4.48Å; L477-L554 HydrophobicContact CB-CD2 3.76Å; L477-L554 HydrophobicContact CD2-CD2 3.58Å; L477-L554 HydrophobicContact CD2-CG 3.72Å; L477-L554 HydrophobicContact CG-CD2 4.3Å; L477-P581 HydrophobicContact CD2-CB 4.39Å; L477-P581 HydrophobicContact CD2-CG 3.96Å
478	N	94.3	Very high	94.3	Very high	105 Å²	105	24.1 Å²	24.1	56%	0.561	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	38	-179.8	-59.2	-5.6	0	0	0	113.6	K480	N478-K480 VanDerWaalsContact C-N 3.34Å; N478-K480 PolarHBondContact O-N 3.14Å
479	G	94.5	Very high	93.9	Very high	39 Å²	39	25.6 Å²	25.6	40%	0.402	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	8.9	179.8	0	0	0	0	0	115.7	I430 L477	I430-G479 VanDerWaalsContact CG2-O 3.31Å; I430-G479 WeakPolarHBondContact CG2-O 3.44Å; L477-G479 PolarHBondContact O-N 2.95Å; L477-G479 VanDerWaalsContact O-N 3.11Å
480	K	96.4	Very high	93.2	Very high	64 Å²	64	27.6 Å²	27.6	28%	0.278	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.8	-177.8	-50.2	-170.1	-173.8	-161.5	0	111.1	V476 L477 N478 Y482 V498 F499 D500	V476-K480 WeakPolarHBondContact CA-O 3.37Å; L477-K480 PolarHBondContact N-O 3.49Å; L477-K480 PolarHBondContact O-N 3.42Å; N478-K480 VanDerWaalsContact C-N 3.34Å; N478-K480 PolarHBondContact O-N 3.14Å; K480-Y482 HydrophobicContact CB-CE2 4.06Å; K480-V498 HydrophobicContact CB-CG2 3.54Å; K480-V498 HydrophobicContact CD-CG2 4.18Å; K480-V498 HydrophobicContact CG-CG2 4.47Å; K480-F499 WeakPolarHBondContact CA-O 3.12Å; K480-F499 WeakPolarHBondContact CB-O 3.49Å; K480-D500 HydrophobicContact CD-CB 4.06Å; K480-D500 WeakPolarHBondContact CE-OD2 3.34Å; K480-D500 HydrophobicContact CG-CB 4.5Å; K480-D500 IonicContact NZ-OD1 3.25Å; K480-D500 IonicContact NZ-OD2 3.77Å; K480-D500 PolarHBondContact NZ-OD2 2.96Å
481	L	97.6	Very high	93	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.9	-179.5	171.4	52.3	0	0	0	109.9	I430 V437 T475 V476 I483 V498 F499	I430-L481 HydrophobicContact CD1-CB 4.01Å; V437-L481 HydrophobicContact CG2-CD2 3.67Å; T475-L481 WeakPolarHBondContact O-CD1 3.24Å; V476-L481 HydrophobicContact CG2-CB 4.21Å; V476-L481 HydrophobicContact CG2-CD1 4.14Å; L481-I483 HydrophobicContact CD1-CD1 3.9Å; L481-I483 HydrophobicContact CD2-CD1 4.35Å; L481-I483 HydrophobicContact CG-CD1 3.96Å; L481-I483 HydrophobicContact CG-CG1 4.41Å; L481-V498 CarbonylContact O-C 3.51Å; L481-V498 WeakPolarHBondContact O-CA 3.42Å; L481-F499 HydrophobicContact CB-CB 4.34Å; L481-F499 PolarHBondContact N-O 3.43Å; L481-F499 PolarHBondContact O-N 2.71Å
482	Y	97.8	Very high	93	Very high	13 Å²	13	27 Å²	27	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.1	175.6	-68.2	-99.4	0	0	0	110	G474 T475 L477 K480 C497 V498 K535 M547 L554 Y579	G474-Y482 VanDerWaalsContact CA-O 3.27Å; G474-Y482 WeakPolarHBondContact CA-O 3.1Å; T475-Y482 PolarHBondContact N-O 2.97Å; T475-Y482 PolarHBondContact O-N 2.9Å; L477-Y482 HydrophobicContact CB-CD2 4.07Å; L477-Y482 HydrophobicContact CB-CE2 3.91Å; L477-Y482 HydrophobicContact CG-CE2 4.48Å; K480-Y482 HydrophobicContact CB-CE2 4.06Å; Y482-C497 CarbonylContact C-O 3.41Å; Y482-C497 WeakPolarHBondContact CA-O 3.3Å; Y482-V498 HydrophobicContact CD1-CB 3.75Å; Y482-V498 HydrophobicContact CD1-CG2 3.86Å; Y482-V498 HydrophobicContact CD2-CG2 4.02Å; Y482-V498 HydrophobicContact CE1-CB 3.72Å; Y482-V498 HydrophobicContact CE1-CG1 4.44Å; Y482-V498 HydrophobicContact CE1-CG2 3.65Å; Y482-V498 HydrophobicContact CE2-CG2 3.82Å; Y482-V498 HydrophobicContact CG-CB 4.28Å; Y482-V498 HydrophobicContact CG-CG2 4.04Å; Y482-K535 HydrophobicContact CE1-CG 4.47Å; Y482-M547 WeakPolarHBondContact O-CE 3.28Å; Y482-L554 HydrophobicContact CD1-CD1 3.74Å; Y482-L554 HydrophobicContact CD2-CD1 4.05Å; Y482-L554 HydrophobicContact CE1-CD1 4.41Å; Y482-L554 HydrophobicContact CG-CD1 3.53Å; Y482-Y579 HydrophobicContact CD1-CE1 4.34Å; Y482-Y579 AromaticContact CE1-CE1 3.83Å; Y482-Y579 HydrophobicContact CE1-CE1 3.83Å
483	I	97.3	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127	179.4	-58.1	-61.6	0	0	0	109.2	A426 V437 Y465 H472 E473 L481 V496 C497 W532	A426-I483 HydrophobicContact CB-CD1 3.8Å; V437-I483 HydrophobicContact CB-CD1 4.22Å; V437-I483 HydrophobicContact CG1-CD1 4.28Å; V437-I483 HydrophobicContact CG1-CG1 4.25Å; V437-I483 HydrophobicContact CG2-CD1 4.16Å; Y465-I483 HydrophobicContact CE2-CB 3.95Å; Y465-I483 HydrophobicContact CE2-CG1 4.24Å; Y465-I483 HydrophobicContact CE2-CG2 3.76Å; H472-I483 HydrophobicContact CB-CG2 4.16Å; E473-I483 WeakPolarHBondContact O-CA 3.42Å; L481-I483 HydrophobicContact CD1-CD1 3.9Å; L481-I483 HydrophobicContact CD2-CD1 4.35Å; L481-I483 HydrophobicContact CG-CD1 3.96Å; L481-I483 HydrophobicContact CG-CG1 4.41Å; I483-V496 WeakPolarHBondContact O-CA 3.37Å; I483-C497 PolarHBondContact N-O 2.93Å; I483-C497 PolarHBondContact O-N 2.87Å; I483-W532 HydrophobicContact CB-CZ3 4.43Å; I483-W532 HydrophobicContact CG1-CH2 3.76Å; I483-W532 HydrophobicContact CG1-CZ3 3.68Å
484	T	96.6	Very high	92.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146	-175.7	56.3	0	0	0	0	113.7	H472 E473 V496 M538 H545 M547 W586	H472-T484 WeakPolarHBondContact CA-O 3.19Å; H472-T484 WeakPolarHBondContact CB-O 3.42Å; E473-T484 PolarHBondContact N-O 3.03Å; E473-T484 PolarHBondContact O-N 2.81Å; T484-V496 HydrophobicContact CG2-CG1 4.03Å; T484-V496 HydrophobicContact CG2-CG2 4.13Å; T484-M538 HydrophobicContact CG2-SD 4.29Å; T484-H545 PolarHBondContact O-CE1 2.84Å; T484-H545 PolarHBondContact O-NE2 2.96Å; T484-H545 PolarHBondContact OG1-NE2 3.13Å; T484-M547 HydrophobicContact CG2-CE 3.84Å; T484-M547 HydrophobicContact CG2-SD 3.35Å; T484-M547 WeakPolarHBondContact CG2-SD 3.25Å; T484-M547 WeakPolarHBondContact OG1-CE 3.43Å; T484-M547 PolarHBondContact OG1-SD 2.95Å; T484-W586 HydrophobicContact CG2-CH2 4.18Å; T484-W586 HydrophobicContact CG2-CZ2 4.18Å
485	G	95.2	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.8	-132.3	168.3	0	0	0	0	0	113.6	K469 S493 Q495 M538 R542	K469-G485 VanDerWaalsContact CD-O 3.23Å; K469-G485 WeakPolarHBondContact CD-O 3.22Å; K469-G485 WeakPolarHBondContact CE-O 3.45Å; K469-G485 PolarHBondContact NZ-O 3.17Å; G485-S493 WeakPolarHBondContact CA-O 3.36Å; G485-Q495 PolarHBondContact N-O 3.31Å; G485-Q495 VanDerWaalsContact N-O 3.13Å; G485-M538 VanDerWaalsContact CA-CE 3.45Å; G485-R542 CarbonylContact C-O 3.58Å; G485-R542 VanDerWaalsContact CA-O 3.25Å; G485-R542 WeakPolarHBondContact CA-O 3.37Å
486	G	93.7	Very high	92.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.2	163.2	177.2	0	0	0	0	0	114.9	Y470 T492 S493 R542	Y470-G486 CarbonylContact O-C 3.58Å; Y470-G486 WeakPolarHBondContact O-CA 3.32Å; G486-T492 CarbonylContact O-C 3.6Å; G486-T492 WeakPolarHBondContact O-CA 3.47Å; G486-S493 PolarHBondContact O-N 3Å; G486-R542 PolarHBondContact N-O 3.15Å
487	I	90.9	Very high	92.8	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.062	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.2	175.7	-61.8	163.3	0	0	0	109.7	K469 Y470 T492 C543 F544 L564	K469-I487 WeakPolarHBondContact CA-O 3.25Å; K469-I487 WeakPolarHBondContact CG-O 3.48Å; Y470-I487 HydrophobicContact CD1-CB 4.47Å; Y470-I487 HydrophobicContact CD2-CB 4.17Å; Y470-I487 HydrophobicContact CD2-CD1 4.1Å; Y470-I487 HydrophobicContact CE1-CB 4.11Å; Y470-I487 HydrophobicContact CE1-CG2 3.87Å; Y470-I487 HydrophobicContact CE2-CB 3.83Å; Y470-I487 HydrophobicContact CE2-CD1 3.43Å; Y470-I487 VanDerWaalsContact CE2-CD1 3.43Å; Y470-I487 HydrophobicContact CE2-CG1 4.19Å; Y470-I487 HydrophobicContact CE2-CG2 4.09Å; Y470-I487 PolarHBondContact N-O 3.27Å; Y470-I487 PolarHBondContact O-N 3.01Å; I487-T492 HydrophobicContact CG1-CG2 3.91Å; I487-C543 HydrophobicContact CD1-CB 4.19Å; I487-C543 HydrophobicContact CG1-CB 3.7Å; I487-C543 VanDerWaalsContact CG1-SG 3.54Å; I487-F544 HydrophobicContact CD1-CE2 3.82Å; I487-F544 HydrophobicContact CD1-CZ 4.07Å; I487-L564 HydrophobicContact CG2-CD1 4.13Å
488	T	88.5	Confident	92.8	Very high	23 Å²	23	29 Å²	29	14%	0.141	17%	0.173	C	C	.	.			trans	-122.9	173.8	170	62.7	0	0	0	0	109.2	V467 S490 S491	V467-T488 HydrophobicContact CG1-CG2 4.02Å; T488-S490 PolarHBondContact O-N 3.21Å; T488-S491 PolarHBondContact N-O 3.23Å; T488-S491 PolarHBondContact O-N 3.32Å; T488-S491 PolarHBondContact OG1-O 3.19Å
489	S	80.6	Confident	92.9	Very high	115 Å²	115	24 Å²	24	80%	0.804	15%	0.146	S	C	*	.	S	Bend	trans	-63.3	7.3	-176.3	59.9	0	0	0	0	116.8
490	S	75.4	Confident	92.9	Very high	41 Å²	41	23.2 Å²	23.2	29%	0.287	13%	0.133	S	C	.	.	S	Bend	trans	-131.7	-36.4	174	55.4	0	0	0	0	113.9	T488 L564	T488-S490 PolarHBondContact O-N 3.21Å; S490-L564 PolarHBondContact O-N 2.99Å
491	S	87.3	Confident	92.6	Very high	37 Å²	37	21.5 Å²	21.5	26%	0.259	13%	0.128	S	C	.	.	B	Isolated β-bridge	trans	-167.5	174	-176.8	66.5	0	0	0	0	112.2	T488 V562	T488-S491 PolarHBondContact N-O 3.23Å; T488-S491 PolarHBondContact O-N 3.32Å; T488-S491 PolarHBondContact OG1-O 3.19Å; S491-V562 CarbonylContact C-O 3.53Å; S491-V562 VanDerWaalsContact CA-O 3.28Å; S491-V562 WeakPolarHBondContact CA-O 3.32Å; S491-V562 WeakPolarHBondContact CB-O 3.45Å
492	T	91.1	Very high	92.1	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.031	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-59.3	152.1	156.8	46.3	0	0	0	0	112	G486 I487 C543 C561 V562	G486-T492 CarbonylContact O-C 3.6Å; G486-T492 WeakPolarHBondContact O-CA 3.47Å; I487-T492 HydrophobicContact CG1-CG2 3.91Å; T492-C543 HydrophobicContact CG2-CB 3.89Å; T492-C543 WeakPolarHBondContact CG2-SG 3.36Å; T492-C561 WeakPolarHBondContact OG1-CA 3.3Å; T492-V562 HydrophobicContact CG2-CB 4Å; T492-V562 HydrophobicContact CG2-CG2 4.15Å; T492-V562 PolarHBondContact N-O 3.11Å; T492-V562 PolarHBondContact OG1-N 2.87Å; T492-V562 PolarHBondContact OG1-O 2.78Å
493	S	92.8	Very high	91.3	Very high	23 Å²	23	27.4 Å²	27.4	16%	0.161	17%	0.165	C	C	.	.			trans	-112.2	156.5	-173.6	-167.4	0	0	0	0	113.3	G485 G486 Q495 A541 R542	G485-S493 WeakPolarHBondContact CA-O 3.36Å; G486-S493 PolarHBondContact O-N 3Å; S493-Q495 VanDerWaalsContact OG-CB 3.31Å; S493-Q495 WeakPolarHBondContact OG-CB 3.37Å; S493-Q495 PolarHBondContact OG-N 2.97Å; S493-Q495 VanDerWaalsContact OG-N 3.15Å; S493-A541 WeakPolarHBondContact O-CA 3.36Å; S493-R542 PolarHBondContact O-N 2.91Å
494	K	94.6	Very high	89.8	Confident	96 Å²	96	30.9 Å²	30.9	42%	0.417	18%	0.181	S	C	.	.			trans	-100	-2.3	167.6	-56.6	-167.7	177.4	-163.9	0	112.9	K537 M538 N539 A541	K494-K537 HydrophobicContact CB-CB 4.08Å; K494-K537 WeakPolarHBondContact O-CA 3.47Å; K494-K537 WeakPolarHBondContact O-CB 3.39Å; K494-M538 WeakPolarHBondContact CD-O 3.21Å; K494-M538 PolarHBondContact O-N 3.46Å; K494-N539 WeakPolarHBondContact CE-O 3.22Å; K494-N539 PolarHBondContact NZ-O 2.96Å; K494-A541 HydrophobicContact CG-CB 3.73Å
495	Q	95.1	Very high	87.8	Confident	30 Å²	30	34.7 Å²	34.7	14%	0.14	21%	0.213	C	C	.	.			trans	-65.3	141.3	-171.1	-174.3	-175.5	22.6	0	0	111.6	G485 S493 C497 N534	G485-Q495 PolarHBondContact N-O 3.31Å; G485-Q495 VanDerWaalsContact N-O 3.13Å; S493-Q495 VanDerWaalsContact OG-CB 3.31Å; S493-Q495 WeakPolarHBondContact OG-CB 3.37Å; S493-Q495 PolarHBondContact OG-N 2.97Å; S493-Q495 VanDerWaalsContact OG-N 3.15Å; Q495-C497 VanDerWaalsContact CD-SG 3.59Å; Q495-C497 PolarHBondContact NE2-SG 2.82Å; Q495-C497 VanDerWaalsContact NE2-SG 3.42Å; Q495-N534 PolarHBondContact NE2-OD1 2.68Å
496	V	96.8	Very high	85.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.2	170.4	-173.3	0	0	0	0	107	I483 T484 K535 S536 M538 W586	I483-V496 WeakPolarHBondContact O-CA 3.37Å; T484-V496 HydrophobicContact CG2-CG1 4.03Å; T484-V496 HydrophobicContact CG2-CG2 4.13Å; V496-K535 HydrophobicContact CB-CB 4.06Å; V496-K535 HydrophobicContact CG1-CB 3.88Å; V496-K535 PolarHBondContact O-N 2.84Å; V496-S536 WeakPolarHBondContact CB-O 3.36Å; V496-S536 WeakPolarHBondContact CG2-O 3.41Å; V496-M538 HydrophobicContact CG2-CG 3.97Å; V496-W586 HydrophobicContact CG1-CZ2 4.39Å; V496-W586 HydrophobicContact CG2-CZ2 3.63Å
497	C	96	Very high	83.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.5	172	-53.3	0	0	0	0	109.2	Y465 Y482 I483 Q495 W532 E533	Y465-C497 HydrophobicContact CE2-CB 3.77Å; Y465-C497 PolarHBondContact OH-SG 3.3Å; Y482-C497 CarbonylContact C-O 3.41Å; Y482-C497 WeakPolarHBondContact CA-O 3.3Å; I483-C497 PolarHBondContact N-O 2.93Å; I483-C497 PolarHBondContact O-N 2.87Å; Q495-C497 VanDerWaalsContact CD-SG 3.59Å; Q495-C497 PolarHBondContact NE2-SG 2.82Å; Q495-C497 VanDerWaalsContact NE2-SG 3.42Å; C497-W532 HydrophobicContact CB-CE3 3.84Å; C497-W532 HydrophobicContact CB-CZ3 4.18Å; C497-E533 CarbonylContact C-O 3.57Å; C497-E533 WeakPolarHBondContact CA-O 3.41Å
498	V	96.6	Very high	80.9	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.8	170.9	62.8	0	0	0	0	110	K480 L481 Y482 W532 E533 K535	K480-V498 HydrophobicContact CB-CG2 3.54Å; K480-V498 HydrophobicContact CD-CG2 4.18Å; K480-V498 HydrophobicContact CG-CG2 4.47Å; L481-V498 CarbonylContact O-C 3.51Å; L481-V498 WeakPolarHBondContact O-CA 3.42Å; Y482-V498 HydrophobicContact CD1-CB 3.75Å; Y482-V498 HydrophobicContact CD1-CG2 3.86Å; Y482-V498 HydrophobicContact CD2-CG2 4.02Å; Y482-V498 HydrophobicContact CE1-CB 3.72Å; Y482-V498 HydrophobicContact CE1-CG1 4.44Å; Y482-V498 HydrophobicContact CE1-CG2 3.65Å; Y482-V498 HydrophobicContact CE2-CG2 3.82Å; Y482-V498 HydrophobicContact CG-CB 4.28Å; Y482-V498 HydrophobicContact CG-CG2 4.04Å; V498-W532 WeakPolarHBondContact O-CA 3.07Å; V498-E533 HydrophobicContact CG1-CB 3.86Å; V498-E533 PolarHBondContact N-O 3.33Å; V498-E533 PolarHBondContact O-N 2.94Å; V498-K535 HydrophobicContact CB-CG 4.39Å; V498-K535 HydrophobicContact CG1-CD 4.38Å; V498-K535 HydrophobicContact CG1-CG 3.88Å
499	F	96.3	Very high	78.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.1	170.8	178.6	-99.8	0	0	0	110.3	I430 Y435 V462 D463 K480 L481 P501 C531 W532	I430-F499 HydrophobicContact CD1-CD1 4.46Å; Y435-F499 HydrophobicContact CD1-CD1 4.35Å; Y435-F499 AromaticContact CD1-CE1 3.75Å; Y435-F499 HydrophobicContact CD1-CE1 3.75Å; Y435-F499 HydrophobicContact CD1-CZ 4.29Å; Y435-F499 HydrophobicContact CE1-CD1 4.32Å; Y435-F499 AromaticContact CE1-CE1 3.36Å; Y435-F499 HydrophobicContact CE1-CE1 3.36Å; Y435-F499 AromaticContact CE1-CZ 3.83Å; Y435-F499 HydrophobicContact CE1-CZ 3.83Å; Y435-F499 AromaticContact CZ-CE1 3.92Å; V462-F499 HydrophobicContact CG2-CZ 4.36Å; D463-F499 HydrophobicContact CB-CE2 4.16Å; K480-F499 WeakPolarHBondContact CA-O 3.12Å; K480-F499 WeakPolarHBondContact CB-O 3.49Å; L481-F499 HydrophobicContact CB-CB 4.34Å; L481-F499 PolarHBondContact N-O 3.43Å; L481-F499 PolarHBondContact O-N 2.71Å; F499-P501 HydrophobicContact CD1-CG 4.5Å; F499-P501 HydrophobicContact CE1-CB 3.76Å; F499-P501 HydrophobicContact CE1-CG 4.07Å; F499-P501 HydrophobicContact CZ-CB 4.24Å; F499-C531 WeakPolarHBondContact CA-O 3.14Å; F499-C531 HydrophobicContact CD2-CB 3.78Å; F499-C531 HydrophobicContact CE2-CB 3.48Å; F499-C531 VanDerWaalsContact CE2-CB 3.48Å; F499-C531 HydrophobicContact CZ-CB 4.26Å; F499-W532 HydrophobicContact CB-CD2 3.96Å; F499-W532 HydrophobicContact CB-CE3 3.73Å; F499-W532 HydrophobicContact CB-CH2 3.59Å; F499-W532 HydrophobicContact CB-CZ2 3.83Å; F499-W532 HydrophobicContact CB-CZ3 3.54Å; F499-W532 AromaticContact CD2-CD2 4Å; F499-W532 HydrophobicContact CD2-CD2 4Å; F499-W532 AromaticContact CD2-CE2 3.58Å; F499-W532 HydrophobicContact CD2-CG 4.3Å; F499-W532 AromaticContact CD2-CZ2 3.9Å; F499-W532 HydrophobicContact CD2-CZ2 3.9Å; F499-W532 AromaticContact CD2-NE1 3.63Å; F499-W532 HydrophobicContact CG-CD2 4.47Å; F499-W532 HydrophobicContact CG-CH2 4.32Å; F499-W532 HydrophobicContact CG-CZ2 4.09Å
500	D	94.6	Very high	76	Confident	24 Å²	24	44.3 Å²	44.3	13%	0.128	34%	0.338	C	S	.	.			trans	-125.8	93.2	-176	-175.5	-3.5	0	0	0	109.7	K480 G502 R503 C531	K480-D500 HydrophobicContact CD-CB 4.06Å; K480-D500 WeakPolarHBondContact CE-OD2 3.34Å; K480-D500 HydrophobicContact CG-CB 4.5Å; K480-D500 IonicContact NZ-OD1 3.25Å; K480-D500 IonicContact NZ-OD2 3.77Å; K480-D500 PolarHBondContact NZ-OD2 2.96Å; D500-G502 PolarHBondContact O-N 3.27Å; D500-G502 VanDerWaalsContact O-N 3.09Å; D500-G502 PolarHBondContact OD1-N 2.88Å; D500-R503 HydrophobicContact CB-CG 4.07Å; D500-R503 WeakPolarHBondContact O-CB 3.4Å; D500-R503 WeakPolarHBondContact O-CG 3.46Å; D500-R503 PolarHBondContact O-N 3.28Å; D500-R503 IonicContact OD2-CZ 3.53Å; D500-R503 IonicContact OD2-NE 3.41Å; D500-R503 PolarHBondContact OD2-NE 2.88Å; D500-R503 IonicContact OD2-NH2 2.85Å; D500-C531 PolarHBondContact N-O 2.81Å
501	P	90.3	Very high	74.1	Confident	27 Å²	27	48 Å²	48	18%	0.175	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.2	-176.5	24.3	-31.5	0	0	0	113.3	I430 F499 R503 E504	I430-P501 HydrophobicContact CD1-CG 4.04Å; I430-P501 HydrophobicContact CG2-CG 4.09Å; F499-P501 HydrophobicContact CD1-CG 4.5Å; F499-P501 HydrophobicContact CE1-CB 3.76Å; F499-P501 HydrophobicContact CE1-CG 4.07Å; F499-P501 HydrophobicContact CZ-CB 4.24Å; P501-R503 PolarHBondContact O-N 2.91Å; P501-E504 PolarHBondContact O-N 3.33Å
502	G	86	Confident	71.5	Confident	48 Å²	48	53.8 Å²	53.8	50%	0.495	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-21	171.1	0	0	0	0	0	113.2	D500 A505 G506	D500-G502 PolarHBondContact O-N 3.27Å; D500-G502 VanDerWaalsContact O-N 3.09Å; D500-G502 PolarHBondContact OD1-N 2.88Å; G502-A505 PolarHBondContact O-N 3.31Å; G502-G506 PolarHBondContact O-N 2.79Å
503	R	81	Confident	68.9	Low	89 Å²	89	57.7 Å²	57.7	34%	0.336	42%	0.419	S	S	.	.	H	α-helix	trans	-73	-30	179	-63.8	-179	-177.3	-158.2	-5	113.1	D500 P501 A505 G506 C531 E533	D500-R503 HydrophobicContact CB-CG 4.07Å; D500-R503 WeakPolarHBondContact O-CB 3.4Å; D500-R503 WeakPolarHBondContact O-CG 3.46Å; D500-R503 PolarHBondContact O-N 3.28Å; D500-R503 IonicContact OD2-CZ 3.53Å; D500-R503 IonicContact OD2-NE 3.41Å; D500-R503 PolarHBondContact OD2-NE 2.88Å; D500-R503 IonicContact OD2-NH2 2.85Å; P501-R503 PolarHBondContact O-N 2.91Å; R503-A505 VanDerWaalsContact C-N 3.28Å; R503-A505 PolarHBondContact O-N 2.92Å; R503-G506 PolarHBondContact O-N 2.91Å; R503-C531 HydrophobicContact CB-CB 4.3Å; R503-E533 IonicContact CZ-OE2 3.55Å; R503-E533 IonicContact NH1-OE2 3.4Å; R503-E533 PolarHBondContact NH1-OE2 3.24Å; R503-E533 IonicContact NH2-OE2 2.71Å; R503-E533 PolarHBondContact NH2-OE2 3.17Å
504	E	66.8	Low	66.3	Low	73 Å²	73	65.1 Å²	65.1	34%	0.341	45%	0.451	S	S	.	.	H	α-helix	trans	-57.9	-43.5	173	-63.2	-173.1	-178.6	0	0	110.8	R451 P501 C531	R451-E504 IonicContact CZ-OE2 3.18Å; R451-E504 IonicContact NH1-OE1 3.81Å; R451-E504 PolarHBondContact NH1-OE1 2.85Å; R451-E504 IonicContact NH1-OE2 2.76Å; R451-E504 PolarHBondContact NH1-OE2 3.46Å; R451-E504 IonicContact NH2-OE2 2.71Å; P501-E504 PolarHBondContact O-N 3.33Å; E504-C531 WeakPolarHBondContact CG-SG 3.43Å
505	A	54.6	Low	63.3	Low	80 Å²	80	72.4 Å²	72.4	66%	0.661	48%	0.476	S	S	*	.	H	α-helix	trans	-77.4	-28.9	-178.8	0	0	0	0	0	113.7	G502 R503 G507 G508	G502-A505 PolarHBondContact O-N 3.31Å; R503-A505 VanDerWaalsContact C-N 3.28Å; R503-A505 PolarHBondContact O-N 2.92Å; A505-G507 PolarHBondContact O-N 2.83Å; A505-G508 PolarHBondContact O-N 2.97Å
506	G	47.5	Very low	60.1	Low	59 Å²	59	77.1 Å²	77.1	61%	0.608	51%	0.507	S	S	*	.	H	α-helix	trans	-63.6	-22.5	-176.1	0	0	0	0	0	115	G502 R503 G508	G502-G506 PolarHBondContact O-N 2.79Å; R503-G506 PolarHBondContact O-N 2.91Å; G506-G508 PolarHBondContact O-N 3.01Å
507	G	44.1	Very low	57.4	Low	72 Å²	72	89.1 Å²	89.1	74%	0.742	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-3.8	-178.1	0	0	0	0	0	116.2	A505	A505-G507 PolarHBondContact O-N 2.83Å
508	G	42.8	Very low	54.3	Low	66 Å²	66	94.8 Å²	94.8	68%	0.68	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	16.5	-171.1	0	0	0	0	0	116.2	A505 G506 G510	A505-G508 PolarHBondContact O-N 2.97Å; G506-G508 PolarHBondContact O-N 3.01Å; G508-G510 VanDerWaalsContact C-N 3.32Å; G508-G510 PolarHBondContact O-N 2.82Å
509	G	34.8	Very low	51.7	Low	84 Å²	84	99.2 Å²	99.2	87%	0.866	63%	0.628	S	S	*	*			trans	-76.9	59.8	-172.4	0	0	0	0	0	116.1
510	G	31.5	Very low	48.7	Very low	71 Å²	71	109.6 Å²	109.6	73%	0.732	67%	0.668	S	S	*	*			trans	-122	111.9	174.3	0	0	0	0	0	112.4	G508	G508-G510 VanDerWaalsContact C-N 3.32Å; G508-G510 PolarHBondContact O-N 2.82Å
511	S	35.5	Very low	45.8	Very low	120 Å²	120	111.1 Å²	111.1	84%	0.839	69%	0.689	S	S	*	*			trans	-80.1	119.8	-178.3	56.9	0	0	0	0	113.1
512	D	32.3	Very low	43.5	Very low	157 Å²	157	116.5 Å²	116.5	84%	0.84	72%	0.724	S	S	*	*				-160.8	177.8	125.4	-139.1	-45.9	0	0	0	111.7
513	S	37.8	Very low	41.1	Very low	88 Å²	88	120.8 Å²	120.8	62%	0.615	74%	0.735	S	S	*	*			trans	-86.7	160.4	-166.4	54.6	0	0	0	0	114.9
514	H	36.6	Very low	38.9	Very low	178 Å²	178	124.2 Å²	124.2	82%	0.824	76%	0.759	S	S	*	*			trans	39.5	105.7	163.5	-69	-57	0	0	0	119.2
515	R	31.7	Very low	37.6	Very low	250 Å²	250	127 Å²	127	94%	0.943	78%	0.783	S	S	*	*				-159.7	151.3	127.9	-106.9	144.3	-165.6	-165.9	4.3	116
516	T	28.8	Very low	36.8	Very low	128 Å²	128	125.9 Å²	125.9	79%	0.785	78%	0.78	S	S	*	*			trans	-44.2	149.5	-178.8	45.4	0	0	0	0	118.1	S518	T516-S518 PolarHBondContact O-N 2.83Å
517	R	40.5	Very low	36.7	Very low	254 Å²	254	130 Å²	130	96%	0.958	79%	0.793	S	S	*	*			trans	-53	125.3	164.9	-62.9	163	82.7	171.5	6.4	111.3
518	S	30.9	Very low	37.3	Very low	119 Å²	119	134.5 Å²	134.5	83%	0.832	80%	0.795	S	S	*	*			trans	-156.8	168.2	152.2	-163.2	0	0	0	0	110.3	T516	T516-S518 PolarHBondContact O-N 2.83Å
519	A	40.8	Very low	38.4	Very low	96 Å²	96	135.4 Å²	135.4	79%	0.793	80%	0.796	S	S	*	*			trans	-55.7	147.3	-166.4	0	0	0	0	0	115.7
520	R	34.4	Very low	40.7	Very low	219 Å²	219	134.1 Å²	134.1	83%	0.826	77%	0.773	S	S	*	*			trans	-121.8	133.1	154	-75.1	-172.2	173.5	-176.1	-1.6	109
521	G	33.9	Very low	43.5	Very low	56 Å²	56	130.9 Å²	130.9	58%	0.577	74%	0.74	S	S	*	*			trans	-77.4	-172.6	168.5	0	0	0	0	0	112	L523	G521-L523 PolarHBondContact O-N 3.48Å
522	P	40.8	Very low	46.3	Very low	140 Å²	140	126 Å²	126	91%	0.909	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.6	-178.4	26.1	-34	0	0	0	111.2
523	L	36	Very low	49.3	Very low	137 Å²	137	121.3 Å²	121.3	72%	0.717	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-82.6	139.9	173.9	-73.2	164.4	0	0	0	110	G521	G521-L523 PolarHBondContact O-N 3.48Å
524	L	35.2	Very low	52	Low	162 Å²	162	121.9 Å²	121.9	85%	0.848	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-70.9	148.5	168.5	-70.2	166.7	0	0	0	109.9	G526	L524-G526 PolarHBondContact O-N 3.02Å
525	P	39	Very low	54.9	Low	131 Å²	131	115.4 Å²	115.4	85%	0.851	64%	0.641	S	S	*	*			trans	-72.5	86.8	-177.8	29.6	-35.1	0	0	0	111.5
526	G	37.3	Very low	58	Low	57 Å²	57	106 Å²	106	59%	0.588	61%	0.614	S	S	*	*			trans	-72.5	147.4	164.9	0	0	0	0	0	111.1	L524 H528	L524-G526 PolarHBondContact O-N 3.02Å; G526-H528 PolarHBondContact O-N 3.41Å
527	T	46.9	Very low	61.2	Low	145 Å²	145	107.3 Å²	107.3	89%	0.89	61%	0.609	S	S	*	*			trans	-66.1	96.3	-175	50.7	0	0	0	0	112.5
528	H	55	Low	63.9	Low	167 Å²	167	95.4 Å²	95.4	77%	0.773	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-67.1	129.4	154.5	-76.3	-102.7	0	0	0	108.2	G526 S530	G526-H528 PolarHBondContact O-N 3.41Å; H528-S530 PolarHBondContact O-N 2.86Å
529	A	65.4	Low	67	Low	85 Å²	85	92.6 Å²	92.6	70%	0.702	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-72.4	125.2	173.4	0	0	0	0	0	108.5
530	S	83.4	Confident	69.5	Low	57 Å²	57	93 Å²	93	40%	0.399	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-63	143	-175.3	-173.4	0	0	0	0	111.8	D463 H528 W532	D463-S530 WeakPolarHBondContact OD2-CA 3.29Å; D463-S530 WeakPolarHBondContact OD2-CB 3.36Å; D463-S530 PolarHBondContact OD2-OG 2.83Å; H528-S530 PolarHBondContact O-N 2.86Å; S530-W532 PolarHBondContact O-N 3.19Å; S530-W532 PolarHBondContact OG-N 2.77Å
531	C	91.1	Very high	72.3	Confident	3 Å²	3	83.2 Å²	83.2	2%	0.02	49%	0.488	C	S	.	.	S	Bend	trans	-72.1	-10.7	175.7	-56.1	0	0	0	0	112.2	D463 F499 D500 R503 E504	D463-C531 HydrophobicContact CB-CB 4.12Å; D463-C531 PolarHBondContact OD2-N 2.94Å; F499-C531 WeakPolarHBondContact CA-O 3.14Å; F499-C531 HydrophobicContact CD2-CB 3.78Å; F499-C531 HydrophobicContact CE2-CB 3.48Å; F499-C531 VanDerWaalsContact CE2-CB 3.48Å; F499-C531 HydrophobicContact CZ-CB 4.26Å; D500-C531 PolarHBondContact N-O 2.81Å; R503-C531 HydrophobicContact CB-CB 4.3Å; E504-C531 WeakPolarHBondContact CG-SG 3.43Å
532	W	94.4	Very high	75.1	Confident	18 Å²	18	80.6 Å²	80.6	7%	0.068	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.5	172.3	-67.7	99.2	0	0	0	112.6	V437 T449 D463 P464 Y465 P466 I483 C497 V498 F499 S530	V437-W532 HydrophobicContact CG1-CH2 3.65Å; V437-W532 HydrophobicContact CG1-CZ2 3.83Å; V437-W532 HydrophobicContact CG2-CH2 4.01Å; V437-W532 HydrophobicContact CG2-CZ2 4.26Å; T449-W532 HydrophobicContact CG2-CZ2 4.35Å; D463-W532 PolarHBondContact O-NE1 3.32Å; P464-W532 PolarHBondContact O-NE1 3.06Å; Y465-W532 AromaticContact CD2-CD2 4Å; Y465-W532 HydrophobicContact CD2-CD2 4Å; Y465-W532 AromaticContact CD2-CE2 3.99Å; Y465-W532 AromaticContact CD2-CE3 3.77Å; Y465-W532 HydrophobicContact CD2-CE3 3.77Å; Y465-W532 AromaticContact CD2-CH2 3.57Å; Y465-W532 HydrophobicContact CD2-CH2 3.57Å; Y465-W532 AromaticContact CD2-CZ2 3.79Å; Y465-W532 HydrophobicContact CD2-CZ2 3.79Å; Y465-W532 AromaticContact CD2-CZ3 3.55Å; Y465-W532 HydrophobicContact CD2-CZ3 3.55Å; Y465-W532 HydrophobicContact CE2-CE3 4.14Å; Y465-W532 HydrophobicContact CE2-CH2 4.25Å; Y465-W532 AromaticContact CE2-CZ3 3.87Å; Y465-W532 HydrophobicContact CE2-CZ3 3.87Å; Y465-W532 HydrophobicContact CG-CZ2 4.45Å; P466-W532 HydrophobicContact CG-CB 4.4Å; I483-W532 HydrophobicContact CB-CZ3 4.43Å; I483-W532 HydrophobicContact CG1-CH2 3.76Å; I483-W532 HydrophobicContact CG1-CZ3 3.68Å; C497-W532 HydrophobicContact CB-CE3 3.84Å; C497-W532 HydrophobicContact CB-CZ3 4.18Å; V498-W532 WeakPolarHBondContact O-CA 3.07Å; F499-W532 HydrophobicContact CB-CD2 3.96Å; F499-W532 HydrophobicContact CB-CE3 3.73Å; F499-W532 HydrophobicContact CB-CH2 3.59Å; F499-W532 HydrophobicContact CB-CZ2 3.83Å; F499-W532 HydrophobicContact CB-CZ3 3.54Å; F499-W532 AromaticContact CD2-CD2 4Å; F499-W532 HydrophobicContact CD2-CD2 4Å; F499-W532 AromaticContact CD2-CE2 3.58Å; F499-W532 HydrophobicContact CD2-CG 4.3Å; F499-W532 AromaticContact CD2-CZ2 3.9Å; F499-W532 HydrophobicContact CD2-CZ2 3.9Å; F499-W532 AromaticContact CD2-NE1 3.63Å; F499-W532 HydrophobicContact CG-CD2 4.47Å; F499-W532 HydrophobicContact CG-CH2 4.32Å; F499-W532 HydrophobicContact CG-CZ2 4.09Å; S530-W532 PolarHBondContact O-N 3.19Å; S530-W532 PolarHBondContact OG-N 2.77Å
533	E	94.3	Very high	77.6	Confident	57 Å²	57	74 Å²	74	27%	0.266	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.9	171.8	-176.3	179.6	126.3	0	0	110.4	C497 V498 R503 K535	C497-E533 CarbonylContact C-O 3.57Å; C497-E533 WeakPolarHBondContact CA-O 3.41Å; V498-E533 HydrophobicContact CG1-CB 3.86Å; V498-E533 PolarHBondContact N-O 3.33Å; V498-E533 PolarHBondContact O-N 2.94Å; R503-E533 IonicContact CZ-OE2 3.55Å; R503-E533 IonicContact NH1-OE2 3.4Å; R503-E533 PolarHBondContact NH1-OE2 3.24Å; R503-E533 IonicContact NH2-OE2 2.71Å; R503-E533 PolarHBondContact NH2-OE2 3.17Å; E533-K535 WeakPolarHBondContact OE1-CE 3.47Å; E533-K535 IonicContact OE1-NZ 2.88Å; E533-K535 PolarHBondContact OE1-NZ 2.86Å
534	N	95.5	Very high	80.2	Confident	100 Å²	100	70.6 Å²	70.6	54%	0.535	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.6	170.4	-69.2	-88.5	0	0	0	109.5	Q495	Q495-N534 PolarHBondContact NE2-OD1 2.68Å
535	K	96.6	Very high	83	Confident	42 Å²	42	62.9 Å²	62.9	18%	0.183	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	173.2	174.7	-70.5	-51.9	-155.4	179.4	0	111.9	Y482 V496 V498 E533 K537 D584	Y482-K535 HydrophobicContact CE1-CG 4.47Å; V496-K535 HydrophobicContact CB-CB 4.06Å; V496-K535 HydrophobicContact CG1-CB 3.88Å; V496-K535 PolarHBondContact O-N 2.84Å; V498-K535 HydrophobicContact CB-CG 4.39Å; V498-K535 HydrophobicContact CG1-CD 4.38Å; V498-K535 HydrophobicContact CG1-CG 3.88Å; E533-K535 WeakPolarHBondContact OE1-CE 3.47Å; E533-K535 IonicContact OE1-NZ 2.88Å; E533-K535 PolarHBondContact OE1-NZ 2.86Å; K535-K537 PolarHBondContact O-N 2.8Å; K535-D584 WeakPolarHBondContact CD-OD2 3.31Å; K535-D584 IonicContact NZ-OD2 2.68Å; K535-D584 PolarHBondContact NZ-OD2 3.12Å
536	S	97.1	Very high	85.6	Confident	54 Å²	54	57.9 Å²	57.9	38%	0.378	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-50.5	137.7	172.9	-82.8	0	0	0	0	111.1	V496 D584 W586	V496-S536 WeakPolarHBondContact CB-O 3.36Å; V496-S536 WeakPolarHBondContact CG2-O 3.41Å; S536-D584 WeakPolarHBondContact CB-O 3.22Å; S536-D584 VanDerWaalsContact CB-OD1 3.25Å; S536-D584 WeakPolarHBondContact CB-OD1 3.41Å; S536-D584 PolarHBondContact N-OD1 3.34Å; S536-D584 PolarHBondContact OG-O 3.1Å; S536-D584 PolarHBondContact OG-OD1 3.26Å; S536-W586 PolarHBondContact O-NE1 2.99Å
537	K	97.3	Very high	88.4	Confident	155 Å²	155	55.7 Å²	55.7	67%	0.674	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-77.2	143	-175.2	-64.9	170.1	-173.6	169	0	109.8	K494 K535 W586	K494-K537 HydrophobicContact CB-CB 4.08Å; K494-K537 WeakPolarHBondContact O-CA 3.47Å; K494-K537 WeakPolarHBondContact O-CB 3.39Å; K535-K537 PolarHBondContact O-N 2.8Å; K537-W586 VanDerWaalsContact O-CD1 3.24Å
538	M	96.9	Very high	90.7	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-56	154.7	169.8	-65.5	-177.4	-60	0	0	110.7	T484 G485 K494 V496 Y540 R542 V556 W586	T484-M538 HydrophobicContact CG2-SD 4.29Å; G485-M538 VanDerWaalsContact CA-CE 3.45Å; K494-M538 WeakPolarHBondContact CD-O 3.21Å; K494-M538 PolarHBondContact O-N 3.46Å; V496-M538 HydrophobicContact CG2-CG 3.97Å; M538-Y540 VanDerWaalsContact C-N 3.33Å; M538-Y540 WeakPolarHBondContact CB-O 3.31Å; M538-Y540 PolarHBondContact O-N 3.41Å; M538-R542 HydrophobicContact CE-CG 3.8Å; M538-R542 HydrophobicContact SD-CG 4.32Å; M538-V556 HydrophobicContact SD-CG1 4.09Å; M538-V556 HydrophobicContact SD-CG2 4.47Å; M538-W586 HydrophobicContact CG-CD2 4.08Å; M538-W586 HydrophobicContact CG-CE3 4.29Å; M538-W586 HydrophobicContact CG-CH2 3.77Å; M538-W586 HydrophobicContact CG-CZ2 3.53Å; M538-W586 HydrophobicContact CG-CZ3 4.14Å; M538-W586 HydrophobicContact SD-CH2 4.26Å; M538-W586 HydrophobicContact SD-CZ2 4.47Å
539	N	95.4	Very high	92.6	Very high	60 Å²	60	44.1 Å²	44.1	32%	0.321	24%	0.238	S	C	.	.	S	Bend	trans	-65.4	-38.2	174.4	-64.9	-86.6	0	0	0	111.1	K494 E577 W586 I588	K494-N539 WeakPolarHBondContact CE-O 3.22Å; K494-N539 PolarHBondContact NZ-O 2.96Å; N539-E577 WeakPolarHBondContact CA-OE2 3.23Å; N539-E577 WeakPolarHBondContact CB-OE2 3.41Å; N539-E577 PolarHBondContact N-OE2 2.92Å; N539-E577 PolarHBondContact ND2-OE2 3.32Å; N539-W586 WeakPolarHBondContact ND2-CB 3.18Å; N539-W586 PolarHBondContact ND2-O 2.82Å; N539-I588 HydrophobicContact CB-CD1 4Å; N539-I588 HydrophobicContact CB-CG1 4.11Å
540	Y	93	Very high	94.1	Very high	104 Å²	104	41 Å²	41	41%	0.408	21%	0.209	S	C	.	.	S	Bend	trans	-113.2	148.6	-179.4	-60.9	-83.7	0	0	0	113.2	M538 C573 S575 E577 I588	M538-Y540 VanDerWaalsContact C-N 3.33Å; M538-Y540 WeakPolarHBondContact CB-O 3.31Å; M538-Y540 PolarHBondContact O-N 3.41Å; Y540-C573 VanDerWaalsContact CB-SG 3.53Å; Y540-S575 WeakPolarHBondContact CD2-OG 3.38Å; Y540-E577 WeakPolarHBondContact CD2-OE1 3.2Å; Y540-E577 PolarHBondContact N-OE1 3.08Å; Y540-E577 VanDerWaalsContact N-OE1 3.12Å; Y540-I588 HydrophobicContact CE2-CD1 3.97Å; Y540-I588 HydrophobicContact CE2-CG1 4.46Å
541	A	92.8	Very high	94.5	Very high	15 Å²	15	43.2 Å²	43.2	12%	0.124	22%	0.216	C	C	.	.			trans	-87.5	129.5	172.7	0	0	0	0	0	108.8	S493 K494 C561	S493-A541 WeakPolarHBondContact O-CA 3.36Å; K494-A541 HydrophobicContact CG-CB 3.73Å; A541-C561 WeakPolarHBondContact O-CB 3.12Å
542	R	93.2	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.			trans	-154.1	152.4	-173.3	59.9	178.1	87	-140.5	9.7	113.6	G485 G486 S493 M538 H545 G558 V560 S575 E577	G485-R542 CarbonylContact C-O 3.58Å; G485-R542 VanDerWaalsContact CA-O 3.25Å; G485-R542 WeakPolarHBondContact CA-O 3.37Å; G486-R542 PolarHBondContact N-O 3.15Å; S493-R542 PolarHBondContact O-N 2.91Å; M538-R542 HydrophobicContact CE-CG 3.8Å; M538-R542 HydrophobicContact SD-CG 4.32Å; R542-H545 HydrophobicContact CG-CB 4.23Å; R542-G558 PolarHBondContact NH1-O 2.95Å; R542-V560 CarbonylContact C-O 3.54Å; R542-V560 VanDerWaalsContact CA-O 3.3Å; R542-V560 WeakPolarHBondContact CA-O 3.48Å; R542-S575 PolarHBondContact NH1-O 2.82Å; R542-S575 PolarHBondContact NH2-O 2.9Å; R542-S575 PolarHBondContact NH2-OG 2.93Å; R542-E577 IonicContact CZ-OE1 2.71Å; R542-E577 IonicContact NE-OE1 3.97Å; R542-E577 IonicContact NH2-OE1 3.77Å; R542-E577 PolarHBondContact NH2-OE1 2.72Å
543	C	92.8	Very high	94.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-138.4	162.8	166.9	65.8	0	0	0	0	110.2	G471 I487 T492 H545 G559 V560	G471-C543 CarbonylContact O-C 3.39Å; G471-C543 VanDerWaalsContact O-CA 3.25Å; G471-C543 WeakPolarHBondContact O-CA 3.21Å; G471-C543 VanDerWaalsContact O-CB 3.28Å; G471-C543 WeakPolarHBondContact O-CB 3.31Å; I487-C543 HydrophobicContact CD1-CB 4.19Å; I487-C543 HydrophobicContact CG1-CB 3.7Å; I487-C543 VanDerWaalsContact CG1-SG 3.54Å; T492-C543 HydrophobicContact CG2-CB 3.89Å; T492-C543 WeakPolarHBondContact CG2-SG 3.36Å; C543-H545 PolarHBondContact O-N 2.83Å; C543-G559 CarbonylContact O-C 3.59Å; C543-G559 WeakPolarHBondContact O-CA 3.47Å; C543-V560 PolarHBondContact N-O 3.03Å; C543-V560 PolarHBondContact O-N 3.2Å; C543-V560 PolarHBondContact SG-O 2.77Å; C543-V560 VanDerWaalsContact SG-O 3.42Å
544	F	91.6	Very high	95	Very high	67 Å²	67	44.7 Å²	44.7	29%	0.294	23%	0.232	S	C	.	.	S	Bend	trans	52.9	26.1	-175.5	-46.6	-60.2	0	0	0	113.6	E424 G471 I487 S597 G598	E424-F544 HydrophobicContact CB-CE1 4.38Å; E424-F544 HydrophobicContact CG-CE1 3.97Å; G471-F544 PolarHBondContact O-N 3.49Å; I487-F544 HydrophobicContact CD1-CE2 3.82Å; I487-F544 HydrophobicContact CD1-CZ 4.07Å; F544-S597 VanDerWaalsContact O-CA 3.31Å; F544-S597 WeakPolarHBondContact O-CA 3.48Å; F544-S597 WeakPolarHBondContact O-CB 3.42Å; F544-G598 PolarHBondContact O-N 3.06Å
545	H	94.3	Very high	95.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.			trans	-72.9	-174.7	164.2	56.3	-76.5	0	0	0	109.6	E473 T484 R542 C543 F557 G558	E473-H545 WeakPolarHBondContact CG-O 3.13Å; T484-H545 PolarHBondContact O-CE1 2.84Å; T484-H545 PolarHBondContact O-NE2 2.96Å; T484-H545 PolarHBondContact OG1-NE2 3.13Å; R542-H545 HydrophobicContact CG-CB 4.23Å; C543-H545 PolarHBondContact O-N 2.83Å; H545-F557 CarbonylContact C-O 3.58Å; H545-F557 VanDerWaalsContact CA-O 3.31Å; H545-F557 WeakPolarHBondContact CA-O 3.31Å; H545-F557 WeakPolarHBondContact CB-O 3.47Å; H545-G558 WeakPolarHBondContact CB-O 3.4Å
546	K	93.9	Very high	95.1	Very high	25 Å²	25	38.8 Å²	38.8	11%	0.109	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.5	159.1	-75.6	-67	170.8	-161.1	0	111	E473 V556 F557 H599 V601	E473-K546 VanDerWaalsContact CD-NZ 3.32Å; E473-K546 WeakPolarHBondContact OE1-CE 3.34Å; E473-K546 IonicContact OE1-NZ 2.61Å; E473-K546 PolarHBondContact OE1-NZ 2.86Å; E473-K546 WeakPolarHBondContact OE2-CD 3.45Å; E473-K546 IonicContact OE2-NZ 2.76Å; E473-K546 PolarHBondContact OE2-NZ 3.26Å; K546-V556 WeakPolarHBondContact O-CA 3.3Å; K546-F557 PolarHBondContact N-O 2.83Å; K546-F557 PolarHBondContact O-N 3.42Å; K546-H599 VanDerWaalsContact CE-O 3.3Å; K546-H599 WeakPolarHBondContact CE-O 3.38Å; K546-H599 WeakPolarHBondContact CG-O 3.47Å; K546-V601 HydrophobicContact CB-CB 4.08Å; K546-V601 HydrophobicContact CB-CG2 3.39Å; K546-V601 HydrophobicContact CG-CB 4.49Å; K546-V601 HydrophobicContact CG-CG2 3.9Å
547	M	95.4	Very high	95	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.054	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.2	177	-176.9	169	57.8	0	0	110.1	E473 T475 Y482 T484 L554 Y555 V556	E473-M547 HydrophobicContact CB-CB 4.06Å; E473-M547 WeakPolarHBondContact O-CE 3.25Å; T475-M547 HydrophobicContact CG2-CE 4.08Å; T475-M547 HydrophobicContact CG2-CG 3.88Å; T475-M547 HydrophobicContact CG2-SD 4.32Å; Y482-M547 WeakPolarHBondContact O-CE 3.28Å; T484-M547 HydrophobicContact CG2-CE 3.84Å; T484-M547 HydrophobicContact CG2-SD 3.35Å; T484-M547 WeakPolarHBondContact CG2-SD 3.25Å; T484-M547 WeakPolarHBondContact OG1-CE 3.43Å; T484-M547 PolarHBondContact OG1-SD 2.95Å; M547-L554 HydrophobicContact SD-CB 4.42Å; M547-L554 HydrophobicContact SD-CD1 4.22Å; M547-Y555 VanDerWaalsContact CA-O 3.28Å; M547-Y555 WeakPolarHBondContact CA-O 3.5Å; M547-V556 HydrophobicContact CB-CG2 4.08Å; M547-V556 HydrophobicContact CG-CG2 3.76Å; M547-V556 HydrophobicContact SD-CG2 3.85Å
548	I	95.6	Very high	94.8	Very high	28 Å²	28	28.9 Å²	28.9	14%	0.144	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.4	177.4	-162.9	159	0	0	0	111.2	Y555 F557 V601 V603 I608	I548-Y555 PolarHBondContact N-O 2.99Å; I548-Y555 PolarHBondContact O-N 3.29Å; I548-F557 HydrophobicContact CG2-CE2 4.08Å; I548-V601 HydrophobicContact CB-CG1 4.07Å; I548-V601 HydrophobicContact CD1-CG1 3.92Å; I548-V601 HydrophobicContact CG2-CG1 3.86Å; I548-V603 HydrophobicContact CD1-CG2 3.84Å; I548-V603 HydrophobicContact CG1-CG2 4.42Å; I548-I608 HydrophobicContact CG2-CD1 4.23Å; I548-I608 HydrophobicContact CG2-CG2 4.06Å
549	S	95.5	Very high	94.6	Very high	42 Å²	42	28.7 Å²	28.7	29%	0.294	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.3	170.7	49.9	0	0	0	0	110.7	V476 K553	V476-S549 VanDerWaalsContact O-CB 3.31Å; V476-S549 WeakPolarHBondContact O-CB 3.4Å; V476-S549 PolarHBondContact O-OG 3.18Å; S549-K553 WeakPolarHBondContact CA-O 3.3Å
550	H	95.2	Very high	94.3	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.093	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140	177.5	-169.8	62.4	0	0	0	110.5	G552 K553 Y555 R606 I608	H550-G552 PolarHBondContact O-N 3.41Å; H550-K553 PolarHBondContact N-O 3.45Å; H550-K553 PolarHBondContact O-N 2.84Å; H550-K553 VanDerWaalsContact O-O 3.13Å; H550-Y555 HydrophobicContact CB-CD2 3.99Å; H550-Y555 HydrophobicContact CB-CE2 3.98Å; H550-R606 PolarHBondContact NE2-O 2.71Å; H550-I608 HydrophobicContact CB-CD1 4.15Å
551	N	93.3	Very high	94	Very high	102 Å²	102	23.1 Å²	23.1	55%	0.545	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	41.7	179.2	-61.5	-11.4	0	0	0	115	K553	N551-K553 VanDerWaalsContact C-N 3.33Å; N551-K553 PolarHBondContact O-N 2.81Å
552	G	94.9	Very high	93.3	Very high	39 Å²	39	23.6 Å²	23.6	40%	0.402	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.2	179.3	0	0	0	0	0	115.7	H550 P581	H550-G552 PolarHBondContact O-N 3.41Å; G552-P581 WeakPolarHBondContact O-CD 3.43Å; G552-P581 WeakPolarHBondContact O-CG 3.43Å
553	K	97.1	Very high	92.1	Very high	70 Å²	70	28 Å²	28	30%	0.304	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	166.5	-176.7	-58	-161	-173.5	-156.2	0	112.2	S549 H550 N551 Y555 V578 Y579 D580	S549-K553 WeakPolarHBondContact CA-O 3.3Å; H550-K553 PolarHBondContact N-O 3.45Å; H550-K553 PolarHBondContact O-N 2.84Å; H550-K553 VanDerWaalsContact O-O 3.13Å; N551-K553 VanDerWaalsContact C-N 3.33Å; N551-K553 PolarHBondContact O-N 2.81Å; K553-Y555 HydrophobicContact CB-CE2 4.02Å; K553-V578 HydrophobicContact CB-CG2 3.76Å; K553-V578 HydrophobicContact CD-CG2 3.94Å; K553-V578 HydrophobicContact CG-CG2 4.48Å; K553-Y579 WeakPolarHBondContact CB-O 3.38Å; K553-D580 HydrophobicContact CD-CB 4.45Å; K553-D580 WeakPolarHBondContact CE-OD2 3.36Å; K553-D580 IonicContact NZ-OD2 3.66Å; K553-D580 PolarHBondContact NZ-OD2 2.8Å
554	L	97.8	Very high	90.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.6	172.5	-54.7	176.8	0	0	0	109.7	T475 L477 Y482 M547 V578 Y579	T475-L554 HydrophobicContact CG2-CD2 3.46Å; T475-L554 VanDerWaalsContact CG2-CD2 3.46Å; L477-L554 HydrophobicContact CB-CD2 3.76Å; L477-L554 HydrophobicContact CD2-CD2 3.58Å; L477-L554 HydrophobicContact CD2-CG 3.72Å; L477-L554 HydrophobicContact CG-CD2 4.3Å; Y482-L554 HydrophobicContact CD1-CD1 3.74Å; Y482-L554 HydrophobicContact CD2-CD1 4.05Å; Y482-L554 HydrophobicContact CE1-CD1 4.41Å; Y482-L554 HydrophobicContact CG-CD1 3.53Å; M547-L554 HydrophobicContact SD-CB 4.42Å; M547-L554 HydrophobicContact SD-CD1 4.22Å; L554-V578 CarbonylContact O-C 3.52Å; L554-V578 VanDerWaalsContact O-CA 3.28Å; L554-V578 WeakPolarHBondContact O-CA 3.49Å; L554-V578 WeakPolarHBondContact O-CG2 3.33Å; L554-Y579 HydrophobicContact CB-CD1 4.48Å; L554-Y579 HydrophobicContact CD1-CD1 3.77Å; L554-Y579 HydrophobicContact CD1-CE1 4.36Å; L554-Y579 HydrophobicContact CG-CD1 4.14Å; L554-Y579 PolarHBondContact N-O 3.26Å; L554-Y579 VanDerWaalsContact N-O 3.15Å; L554-Y579 PolarHBondContact O-N 3.29Å
555	Y	97.6	Very high	88.9	Confident	19 Å²	19	37.5 Å²	37.5	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.7	174	-66.1	-100.8	0	0	0	109.8	M547 I548 H550 K553 F557 V578 L589 I608 F627 P629	M547-Y555 VanDerWaalsContact CA-O 3.28Å; M547-Y555 WeakPolarHBondContact CA-O 3.5Å; I548-Y555 PolarHBondContact N-O 2.99Å; I548-Y555 PolarHBondContact O-N 3.29Å; H550-Y555 HydrophobicContact CB-CD2 3.99Å; H550-Y555 HydrophobicContact CB-CE2 3.98Å; K553-Y555 HydrophobicContact CB-CE2 4.02Å; Y555-F557 HydrophobicContact CG-CZ 4.4Å; Y555-V578 HydrophobicContact CD1-CB 3.99Å; Y555-V578 HydrophobicContact CD1-CG2 3.9Å; Y555-V578 HydrophobicContact CD2-CG2 4.22Å; Y555-V578 HydrophobicContact CE1-CB 3.94Å; Y555-V578 HydrophobicContact CE1-CG2 3.63Å; Y555-V578 HydrophobicContact CE2-CG2 3.96Å; Y555-V578 HydrophobicContact CG-CG2 4.18Å; Y555-L589 HydrophobicContact CD1-CD1 4.04Å; Y555-L589 HydrophobicContact CE1-CD1 3.81Å; Y555-I608 HydrophobicContact CD1-CD1 4.13Å; Y555-I608 HydrophobicContact CD2-CD1 3.9Å; Y555-I608 HydrophobicContact CE2-CD1 4.42Å; Y555-I608 HydrophobicContact CG-CD1 3.75Å; Y555-F627 HydrophobicContact CD1-CE1 4.2Å; Y555-F627 HydrophobicContact CE1-CE1 4.12Å; Y555-P629 HydrophobicContact CE1-CB 4.2Å
556	V	96.9	Very high	86.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	-177	168.8	0	0	0	0	110.4	M538 K546 M547 T576 E577 W586	M538-V556 HydrophobicContact SD-CG1 4.09Å; M538-V556 HydrophobicContact SD-CG2 4.47Å; K546-V556 WeakPolarHBondContact O-CA 3.3Å; M547-V556 HydrophobicContact CB-CG2 4.08Å; M547-V556 HydrophobicContact CG-CG2 3.76Å; M547-V556 HydrophobicContact SD-CG2 3.85Å; V556-T576 WeakPolarHBondContact O-CA 3.16Å; V556-E577 PolarHBondContact N-O 3.32Å; V556-E577 PolarHBondContact O-N 2.93Å; V556-W586 HydrophobicContact CB-CH2 4.5Å; V556-W586 HydrophobicContact CB-CZ3 4.16Å; V556-W586 HydrophobicContact CG2-CH2 3.67Å; V556-W586 HydrophobicContact CG2-CZ3 3.79Å
557	F	95.1	Very high	84.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.2	-171.7	-54.5	-80.8	0	0	0	112.5	H545 K546 I548 Y555 T576 M592 H599 V601 I608 V610 F627 W634	H545-F557 CarbonylContact C-O 3.58Å; H545-F557 VanDerWaalsContact CA-O 3.31Å; H545-F557 WeakPolarHBondContact CA-O 3.31Å; H545-F557 WeakPolarHBondContact CB-O 3.47Å; K546-F557 PolarHBondContact N-O 2.83Å; K546-F557 PolarHBondContact O-N 3.42Å; I548-F557 HydrophobicContact CG2-CE2 4.08Å; Y555-F557 HydrophobicContact CG-CZ 4.4Å; F557-T576 HydrophobicContact CD1-CG2 3.71Å; F557-T576 HydrophobicContact CE1-CG2 3.48Å; F557-T576 VanDerWaalsContact CE1-CG2 3.48Å; F557-T576 HydrophobicContact CZ-CG2 4.43Å; F557-M592 HydrophobicContact CB-CE 4.34Å; F557-H599 PolarHBondContact O-CE1 3.43Å; F557-H599 VanDerWaalsContact O-CE1 3.31Å; F557-H599 PolarHBondContact O-NE2 2.81Å; F557-V601 HydrophobicContact CD2-CG2 4.37Å; F557-V601 HydrophobicContact CE2-CG1 4.42Å; F557-I608 HydrophobicContact CE2-CD1 4.41Å; F557-I608 HydrophobicContact CE2-CG2 3.74Å; F557-I608 HydrophobicContact CZ-CB 4.27Å; F557-I608 HydrophobicContact CZ-CD1 3.94Å; F557-I608 HydrophobicContact CZ-CG2 3.72Å; F557-V610 HydrophobicContact CG-CG2 4.47Å; F557-F627 HydrophobicContact CE1-CB 4.38Å; F557-F627 HydrophobicContact CE1-CD1 4.23Å; F557-F627 HydrophobicContact CE1-CG 4.32Å; F557-F627 HydrophobicContact CZ-CD1 4.4Å; F557-W634 AromaticContact CD1-CH2 3.53Å; F557-W634 HydrophobicContact CD1-CH2 3.53Å; F557-W634 AromaticContact CD1-CZ2 3.56Å; F557-W634 HydrophobicContact CD1-CZ2 3.56Å; F557-W634 AromaticContact CE1-CH2 3.6Å; F557-W634 HydrophobicContact CE1-CH2 3.6Å; F557-W634 AromaticContact CE1-CZ2 3.62Å; F557-W634 HydrophobicContact CE1-CZ2 3.62Å
558	G	93.6	Very high	82.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.			trans	70.3	-147.9	162	0	0	0	0	0	115.2	R542 H545 C573 M592 R596	R542-G558 PolarHBondContact NH1-O 2.95Å; H545-G558 WeakPolarHBondContact CB-O 3.4Å; G558-C573 CarbonylContact C-O 3.5Å; G558-C573 VanDerWaalsContact C-O 3.23Å; G558-C573 WeakPolarHBondContact CA-O 3.49Å; G558-M592 VanDerWaalsContact N-CE 3.33Å; G558-R596 WeakPolarHBondContact CA-O 3.35Å
559	G	91.9	Very high	80.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.			trans	85.1	-175.4	-178.5	0	0	0	0	0	113.9	C543 C573 R596 Y616	C543-G559 CarbonylContact O-C 3.59Å; C543-G559 WeakPolarHBondContact O-CA 3.47Å; G559-C573 WeakPolarHBondContact O-CB 3.49Å; G559-C573 PolarHBondContact O-N 3.34Å; G559-R596 PolarHBondContact N-O 3.06Å; G559-Y616 PolarHBondContact N-OH 3.41Å; G559-Y616 WeakPolarHBondContact O-CE1 3.42Å; G559-Y616 PolarHBondContact O-OH 3.27Å
560	V	89.1	Confident	79.8	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.9	-173	-171	0	0	0	0	109.8	R542 C543 V562	R542-V560 CarbonylContact C-O 3.54Å; R542-V560 VanDerWaalsContact CA-O 3.3Å; R542-V560 WeakPolarHBondContact CA-O 3.48Å; C543-V560 PolarHBondContact N-O 3.03Å; C543-V560 PolarHBondContact O-N 3.2Å; C543-V560 PolarHBondContact SG-O 2.77Å; C543-V560 VanDerWaalsContact SG-O 3.42Å; V560-V562 HydrophobicContact CB-CG2 4.34Å; V560-V562 HydrophobicContact CG1-CG2 3.69Å
561	C	87.4	Confident	79	Confident	28 Å²	28	64.8 Å²	64.8	19%	0.189	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.2	164.2	-176.4	0	0	0	0	108.8	T492 A541 Q571	T492-C561 WeakPolarHBondContact OG1-CA 3.3Å; A541-C561 WeakPolarHBondContact O-CB 3.12Å; C561-Q571 HydrophobicContact CB-CB 4.48Å; C561-Q571 WeakPolarHBondContact CB-O 3.48Å; C561-Q571 PolarHBondContact N-O 2.9Å; C561-Q571 PolarHBondContact O-N 2.8Å
562	V	76.9	Confident	78.5	Confident	24 Å²	24	61 Å²	61	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.1	-177	-172.4	0	0	0	0	109.9	S491 T492 V560 L564	S491-V562 CarbonylContact C-O 3.53Å; S491-V562 VanDerWaalsContact CA-O 3.28Å; S491-V562 WeakPolarHBondContact CA-O 3.32Å; S491-V562 WeakPolarHBondContact CB-O 3.45Å; T492-V562 HydrophobicContact CG2-CB 4Å; T492-V562 HydrophobicContact CG2-CG2 4.15Å; T492-V562 PolarHBondContact N-O 3.11Å; T492-V562 PolarHBondContact OG1-N 2.87Å; T492-V562 PolarHBondContact OG1-O 2.78Å; V560-V562 HydrophobicContact CB-CG2 4.34Å; V560-V562 HydrophobicContact CG1-CG2 3.69Å; V562-L564 HydrophobicContact CG1-CD2 3.82Å; V562-L564 HydrophobicContact CG1-CG 4.28Å
563	I	68	Low	78	Confident	92 Å²	92	59.5 Å²	59.5	47%	0.472	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-119.4	89	-178.8	-54.8	176.6	0	0	0	109.2	R565 A566 S567	I563-R565 PolarHBondContact O-N 3Å; I563-A566 HydrophobicContact CG2-CB 4.45Å; I563-S567 VanDerWaalsContact O-O 3.07Å
564	L	62.6	Low	77.6	Confident	73 Å²	73	58.7 Å²	58.7	38%	0.382	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	8.2	-169.6	-61.4	169.8	0	0	0	115.7	I487 S490 V562	I487-L564 HydrophobicContact CG2-CD1 4.13Å; S490-L564 PolarHBondContact O-N 2.99Å; V562-L564 HydrophobicContact CG1-CD2 3.82Å; V562-L564 HydrophobicContact CG1-CG 4.28Å
565	R	55.7	Low	77.4	Confident	196 Å²	196	59 Å²	59	74%	0.74	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-6.7	-169.4	-68.1	-171.1	176.5	-170.6	-0	116.1	I563	I563-R565 PolarHBondContact O-N 3Å
566	A	47.6	Very low	77.4	Confident	88 Å²	88	58.1 Å²	58.1	73%	0.727	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-41.6	-178.5	0	0	0	0	0	112.1	I563	I563-A566 HydrophobicContact CG2-CB 4.45Å
567	S	51.4	Low	77.4	Confident	41 Å²	41	58.1 Å²	58.1	29%	0.287	31%	0.311	S	S	.	.			trans	-166.1	157.9	-175.8	48.6	0	0	0	0	107.6	I563 E569	I563-S567 VanDerWaalsContact O-O 3.07Å; S567-E569 VanDerWaalsContact CB-OE2 3.26Å; S567-E569 WeakPolarHBondContact CB-OE2 3.37Å; S567-E569 PolarHBondContact O-N 3Å; S567-E569 WeakPolarHBondContact OG-CB 3.34Å; S567-E569 WeakPolarHBondContact OG-CG 3.4Å; S567-E569 PolarHBondContact OG-OE2 2.8Å
568	F	54.1	Low	77.5	Confident	195 Å²	195	58.8 Å²	58.8	86%	0.855	32%	0.315	S	S	*	.	S	Bend	trans	-80.1	39.7	168.7	-79.7	-83.7	0	0	0	111.4	S570	F568-S570 PolarHBondContact O-N 3.18Å
569	E	58.2	Low	77.7	Confident	144 Å²	144	58.8 Å²	58.8	67%	0.673	32%	0.315	S	S	*	.			trans	-86.4	107.1	179.3	-72.4	169.6	143.5	0	0	110	S567	S567-E569 VanDerWaalsContact CB-OE2 3.26Å; S567-E569 WeakPolarHBondContact CB-OE2 3.37Å; S567-E569 PolarHBondContact O-N 3Å; S567-E569 WeakPolarHBondContact OG-CB 3.34Å; S567-E569 WeakPolarHBondContact OG-CG 3.4Å; S567-E569 PolarHBondContact OG-OE2 2.8Å
570	S	70.8	Confident	78	Confident	86 Å²	86	60.5 Å²	60.5	60%	0.601	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	112	168.8	38	0	0	0	0	109.9	F568	F568-S570 PolarHBondContact O-N 3.18Å
571	Q	80.2	Confident	78.3	Confident	145 Å²	145	60.4 Å²	60.4	68%	0.678	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.1	173.1	-168.4	178.6	21.3	0	0	109.9	C561	C561-Q571 HydrophobicContact CB-CB 4.48Å; C561-Q571 WeakPolarHBondContact CB-O 3.48Å; C561-Q571 PolarHBondContact N-O 2.9Å; C561-Q571 PolarHBondContact O-N 2.8Å
572	G	82.4	Confident	78.7	Confident	22 Å²	22	66.4 Å²	66.4	23%	0.227	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.7	174.6	0	0	0	0	0	112.7	P574 Y616	G572-P574 VanDerWaalsContact O-CD 3.24Å; G572-P574 WeakPolarHBondContact O-CD 3.5Å; G572-Y616 VanDerWaalsContact CA-CZ 3.41Å
573	C	84.4	Confident	79.6	Confident	8 Å²	8	69 Å²	69	5%	0.054	37%	0.365	C	S	.	.			trans	-109.4	87.4	-178	-164	0	0	0	0	110.5	Y540 G558 G559 S575 Y616	Y540-C573 VanDerWaalsContact CB-SG 3.53Å; G558-C573 CarbonylContact C-O 3.5Å; G558-C573 VanDerWaalsContact C-O 3.23Å; G558-C573 WeakPolarHBondContact CA-O 3.49Å; G559-C573 WeakPolarHBondContact O-CB 3.49Å; G559-C573 PolarHBondContact O-N 3.34Å; C573-S575 PolarHBondContact O-N 2.96Å; C573-S575 PolarHBondContact SG-OG 2.92Å; C573-Y616 VanDerWaalsContact N-CZ 3.25Å; C573-Y616 PolarHBondContact N-OH 3.08Å; C573-Y616 PolarHBondContact O-OH 3.06Å
574	P	88.8	Confident	81	Confident	53 Å²	53	66.5 Å²	66.5	34%	0.344	35%	0.353	S	S	.	.			trans	-74.9	-6.8	-175.3	31.7	-36.9	0	0	0	113.8	G572 M592 Y616	G572-P574 VanDerWaalsContact O-CD 3.24Å; G572-P574 WeakPolarHBondContact O-CD 3.5Å; P574-M592 PolarHBondContact O-N 3.35Å; P574-Y616 HydrophobicContact CB-CE2 4.19Å
575	S	93	Very high	82.7	Confident	7 Å²	7	68.7 Å²	68.7	5%	0.049	36%	0.361	C	S	.	.			trans	-71.8	141.9	-171.3	56.9	0	0	0	0	112.9	Y540 R542 C573 S591	Y540-S575 WeakPolarHBondContact CD2-OG 3.38Å; R542-S575 PolarHBondContact NH1-O 2.82Å; R542-S575 PolarHBondContact NH2-O 2.9Å; R542-S575 PolarHBondContact NH2-OG 2.93Å; C573-S575 PolarHBondContact O-N 2.96Å; C573-S575 PolarHBondContact SG-OG 2.92Å; S575-S591 WeakPolarHBondContact CA-OG 3.41Å
576	T	96.4	Very high	84.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.8	169.4	-48.7	0	0	0	0	108.2	V556 F557 L589 A590 F627 W634	V556-T576 WeakPolarHBondContact O-CA 3.16Å; F557-T576 HydrophobicContact CD1-CG2 3.71Å; F557-T576 HydrophobicContact CE1-CG2 3.48Å; F557-T576 VanDerWaalsContact CE1-CG2 3.48Å; F557-T576 HydrophobicContact CZ-CG2 4.43Å; T576-L589 HydrophobicContact CG2-CB 3.91Å; T576-L589 HydrophobicContact CG2-CD1 4.3Å; T576-L589 PolarHBondContact O-N 2.91Å; T576-A590 WeakPolarHBondContact CB-O 3.16Å; T576-A590 PolarHBondContact OG1-O 2.86Å; T576-F627 HydrophobicContact CG2-CZ 4.49Å; T576-W634 WeakPolarHBondContact OG1-CZ2 2.8Å; T576-W634 PolarHBondContact OG1-NE1 3.07Å
577	E	96.9	Very high	87.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.7	173.4	-57.6	-173.8	-124	0	0	109.7	N539 Y540 R542 V556 W586 T587	N539-E577 WeakPolarHBondContact CA-OE2 3.23Å; N539-E577 WeakPolarHBondContact CB-OE2 3.41Å; N539-E577 PolarHBondContact N-OE2 2.92Å; N539-E577 PolarHBondContact ND2-OE2 3.32Å; Y540-E577 WeakPolarHBondContact CD2-OE1 3.2Å; Y540-E577 PolarHBondContact N-OE1 3.08Å; Y540-E577 VanDerWaalsContact N-OE1 3.12Å; R542-E577 IonicContact CZ-OE1 2.71Å; R542-E577 IonicContact NE-OE1 3.97Å; R542-E577 IonicContact NH2-OE1 3.77Å; R542-E577 PolarHBondContact NH2-OE1 2.72Å; V556-E577 PolarHBondContact N-O 3.32Å; V556-E577 PolarHBondContact O-N 2.93Å; E577-W586 HydrophobicContact CB-CE3 3.68Å; E577-W586 HydrophobicContact CB-CZ3 3.93Å; E577-T587 WeakPolarHBondContact CA-O 3.32Å
578	V	97.9	Very high	89.3	Confident	14 Å²	14	62.2 Å²	62.2	9%	0.085	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.6	170.4	66.4	0	0	0	0	110.1	K553 L554 Y555 W586 T587 L589	K553-V578 HydrophobicContact CB-CG2 3.76Å; K553-V578 HydrophobicContact CD-CG2 3.94Å; K553-V578 HydrophobicContact CG-CG2 4.48Å; L554-V578 CarbonylContact O-C 3.52Å; L554-V578 VanDerWaalsContact O-CA 3.28Å; L554-V578 WeakPolarHBondContact O-CA 3.49Å; L554-V578 WeakPolarHBondContact O-CG2 3.33Å; Y555-V578 HydrophobicContact CD1-CB 3.99Å; Y555-V578 HydrophobicContact CD1-CG2 3.9Å; Y555-V578 HydrophobicContact CD2-CG2 4.22Å; Y555-V578 HydrophobicContact CE1-CB 3.94Å; Y555-V578 HydrophobicContact CE1-CG2 3.63Å; Y555-V578 HydrophobicContact CE2-CG2 3.96Å; Y555-V578 HydrophobicContact CG-CG2 4.18Å; V578-W586 CarbonylContact O-C 3.53Å; V578-W586 WeakPolarHBondContact O-CA 3.33Å; V578-T587 HydrophobicContact CG1-CG2 4.49Å; V578-T587 PolarHBondContact N-O 2.85Å; V578-T587 PolarHBondContact O-N 2.85Å; V578-L589 HydrophobicContact CB-CD1 3.74Å; V578-L589 HydrophobicContact CB-CG 4.3Å; V578-L589 HydrophobicContact CG1-CD1 3.66Å; V578-L589 HydrophobicContact CG1-CD2 4.05Å; V578-L589 HydrophobicContact CG1-CG 3.83Å
579	Y	98.4	Very high	91.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.3	174.4	170.9	-98.9	0	0	0	110.9	Y482 K553 L554 P581 D584 E585 W586	Y482-Y579 HydrophobicContact CD1-CE1 4.34Å; Y482-Y579 AromaticContact CE1-CE1 3.83Å; Y482-Y579 HydrophobicContact CE1-CE1 3.83Å; K553-Y579 WeakPolarHBondContact CB-O 3.38Å; L554-Y579 HydrophobicContact CB-CD1 4.48Å; L554-Y579 HydrophobicContact CD1-CD1 3.77Å; L554-Y579 HydrophobicContact CD1-CE1 4.36Å; L554-Y579 HydrophobicContact CG-CD1 4.14Å; L554-Y579 PolarHBondContact N-O 3.26Å; L554-Y579 VanDerWaalsContact N-O 3.15Å; L554-Y579 PolarHBondContact O-N 3.29Å; Y579-P581 VanDerWaalsContact CE1-CA 3.49Å; Y579-P581 HydrophobicContact CE1-CB 3.9Å; Y579-D584 WeakPolarHBondContact CE2-OD1 3.39Å; Y579-D584 PolarHBondContact OH-OD1 2.84Å; Y579-E585 WeakPolarHBondContact CA-O 3.26Å; Y579-E585 WeakPolarHBondContact CD2-O 3.41Å; Y579-W586 AromaticContact CD2-CD1 3.81Å; Y579-W586 HydrophobicContact CD2-CD2 4.07Å; Y579-W586 AromaticContact CD2-CE2 3.62Å; Y579-W586 HydrophobicContact CD2-CG 4.18Å; Y579-W586 HydrophobicContact CD2-CZ2 4.06Å; Y579-W586 AromaticContact CD2-NE1 3.44Å; Y579-W586 HydrophobicContact CG-CD2 4.34Å; Y579-W586 AromaticContact CG-CE2 3.93Å; Y579-W586 HydrophobicContact CG-CH2 4.41Å; Y579-W586 AromaticContact CG-CZ2 3.97Å; Y579-W586 HydrophobicContact CG-CZ2 3.97Å
580	D	97.4	Very high	93.2	Very high	35 Å²	35	48.9 Å²	48.9	19%	0.187	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.9	172	-163.2	-42.6	0	0	0	109.8	K553 E582 D584 E585	K553-D580 HydrophobicContact CD-CB 4.45Å; K553-D580 WeakPolarHBondContact CE-OD2 3.36Å; K553-D580 IonicContact NZ-OD2 3.66Å; K553-D580 PolarHBondContact NZ-OD2 2.8Å; D580-E582 PolarHBondContact O-N 3.27Å; D580-E582 WeakPolarHBondContact OD1-CB 3.06Å; D580-E582 PolarHBondContact OD1-N 3.25Å; D580-D584 WeakPolarHBondContact O-CA 3.44Å; D580-D584 PolarHBondContact O-N 2.71Å; D580-E585 PolarHBondContact N-O 2.65Å
581	P	95.8	Very high	94.3	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.117	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.1	-178.5	33.1	-38.6	0	0	0	113.6	L477 G552 Y579	L477-P581 HydrophobicContact CD2-CB 4.39Å; L477-P581 HydrophobicContact CD2-CG 3.96Å; G552-P581 WeakPolarHBondContact O-CD 3.43Å; G552-P581 WeakPolarHBondContact O-CG 3.43Å; Y579-P581 VanDerWaalsContact CE1-CA 3.49Å; Y579-P581 HydrophobicContact CE1-CB 3.9Å
582	E	95.6	Very high	94.9	Very high	154 Å²	154	41 Å²	41	72%	0.72	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-29.2	-177.2	-55.3	-59.2	135.9	0	0	111.8	D580	D580-E582 PolarHBondContact O-N 3.27Å; D580-E582 WeakPolarHBondContact OD1-CB 3.06Å; D580-E582 PolarHBondContact OD1-N 3.25Å
583	T	96.9	Very high	95.2	Very high	77 Å²	77	43.3 Å²	43.3	47%	0.472	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-15.8	173.7	69	0	0	0	0	113.9	E585	T583-E585 WeakPolarHBondContact OG1-CB 3.39Å; T583-E585 PolarHBondContact OG1-OE2 2.95Å; T583-E585 VanDerWaalsContact OG1-OE2 3.12Å
584	D	97.5	Very high	95.2	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	42.6	-173	-152.9	-20.2	0	0	0	111.8	K535 S536 Y579 D580	K535-D584 WeakPolarHBondContact CD-OD2 3.31Å; K535-D584 IonicContact NZ-OD2 2.68Å; K535-D584 PolarHBondContact NZ-OD2 3.12Å; S536-D584 WeakPolarHBondContact CB-O 3.22Å; S536-D584 VanDerWaalsContact CB-OD1 3.25Å; S536-D584 WeakPolarHBondContact CB-OD1 3.41Å; S536-D584 PolarHBondContact N-OD1 3.34Å; S536-D584 PolarHBondContact OG-O 3.1Å; S536-D584 PolarHBondContact OG-OD1 3.26Å; Y579-D584 WeakPolarHBondContact CE2-OD1 3.39Å; Y579-D584 PolarHBondContact OH-OD1 2.84Å; D580-D584 WeakPolarHBondContact O-CA 3.44Å; D580-D584 PolarHBondContact O-N 2.71Å
585	E	97.7	Very high	95	Very high	120 Å²	120	44.1 Å²	44.1	56%	0.561	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.8	-176.7	-64.4	180	129.2	0	0	113.1	Y579 D580 T583	Y579-E585 WeakPolarHBondContact CA-O 3.26Å; Y579-E585 WeakPolarHBondContact CD2-O 3.41Å; D580-E585 PolarHBondContact N-O 2.65Å; T583-E585 WeakPolarHBondContact OG1-CB 3.39Å; T583-E585 PolarHBondContact OG1-OE2 2.95Å; T583-E585 VanDerWaalsContact OG1-OE2 3.12Å
586	W	98.2	Very high	94.9	Very high	26 Å²	26	43.8 Å²	43.8	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.2	177.1	-75.6	93.2	0	0	0	111.8	T484 V496 S536 K537 M538 N539 V556 E577 V578 Y579	T484-W586 HydrophobicContact CG2-CH2 4.18Å; T484-W586 HydrophobicContact CG2-CZ2 4.18Å; V496-W586 HydrophobicContact CG1-CZ2 4.39Å; V496-W586 HydrophobicContact CG2-CZ2 3.63Å; S536-W586 PolarHBondContact O-NE1 2.99Å; K537-W586 VanDerWaalsContact O-CD1 3.24Å; M538-W586 HydrophobicContact CG-CD2 4.08Å; M538-W586 HydrophobicContact CG-CE3 4.29Å; M538-W586 HydrophobicContact CG-CH2 3.77Å; M538-W586 HydrophobicContact CG-CZ2 3.53Å; M538-W586 HydrophobicContact CG-CZ3 4.14Å; M538-W586 HydrophobicContact SD-CH2 4.26Å; M538-W586 HydrophobicContact SD-CZ2 4.47Å; N539-W586 WeakPolarHBondContact ND2-CB 3.18Å; N539-W586 PolarHBondContact ND2-O 2.82Å; V556-W586 HydrophobicContact CB-CH2 4.5Å; V556-W586 HydrophobicContact CB-CZ3 4.16Å; V556-W586 HydrophobicContact CG2-CH2 3.67Å; V556-W586 HydrophobicContact CG2-CZ3 3.79Å; E577-W586 HydrophobicContact CB-CE3 3.68Å; E577-W586 HydrophobicContact CB-CZ3 3.93Å; V578-W586 CarbonylContact O-C 3.53Å; V578-W586 WeakPolarHBondContact O-CA 3.33Å; Y579-W586 AromaticContact CD2-CD1 3.81Å; Y579-W586 HydrophobicContact CD2-CD2 4.07Å; Y579-W586 AromaticContact CD2-CE2 3.62Å; Y579-W586 HydrophobicContact CD2-CG 4.18Å; Y579-W586 HydrophobicContact CD2-CZ2 4.06Å; Y579-W586 AromaticContact CD2-NE1 3.44Å; Y579-W586 HydrophobicContact CG-CD2 4.34Å; Y579-W586 AromaticContact CG-CE2 3.93Å; Y579-W586 HydrophobicContact CG-CH2 4.41Å; Y579-W586 AromaticContact CG-CZ2 3.97Å; Y579-W586 HydrophobicContact CG-CZ2 3.97Å
587	T	97.8	Very high	94.6	Very high	81 Å²	81	44.5 Å²	44.5	50%	0.497	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.4	174.7	-62.8	0	0	0	0	110.7	E577 V578 L589	E577-T587 WeakPolarHBondContact CA-O 3.32Å; V578-T587 HydrophobicContact CG1-CG2 4.49Å; V578-T587 PolarHBondContact N-O 2.85Å; V578-T587 PolarHBondContact O-N 2.85Å; T587-L589 HydrophobicContact CG2-CD2 4.14Å
588	I	97.2	Very high	94.2	Very high	81 Å²	81	45.4 Å²	45.4	42%	0.415	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.3	172.9	-58.5	172.8	0	0	0	109	N539 Y540	N539-I588 HydrophobicContact CB-CD1 4Å; N539-I588 HydrophobicContact CB-CG1 4.11Å; Y540-I588 HydrophobicContact CE2-CD1 3.97Å; Y540-I588 HydrophobicContact CE2-CG1 4.46Å
589	L	97.3	Very high	93.9	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.141	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	179	179.8	-64.8	-174	0	0	0	111.3	Y555 T576 V578 T587 S591 F627 N632	Y555-L589 HydrophobicContact CD1-CD1 4.04Å; Y555-L589 HydrophobicContact CE1-CD1 3.81Å; T576-L589 HydrophobicContact CG2-CB 3.91Å; T576-L589 HydrophobicContact CG2-CD1 4.3Å; T576-L589 PolarHBondContact O-N 2.91Å; V578-L589 HydrophobicContact CB-CD1 3.74Å; V578-L589 HydrophobicContact CB-CG 4.3Å; V578-L589 HydrophobicContact CG1-CD1 3.66Å; V578-L589 HydrophobicContact CG1-CD2 4.05Å; V578-L589 HydrophobicContact CG1-CG 3.83Å; T587-L589 HydrophobicContact CG2-CD2 4.14Å; L589-S591 PolarHBondContact O-N 2.81Å; L589-F627 HydrophobicContact CB-CZ 4.22Å; L589-F627 HydrophobicContact CD1-CE1 3.96Å; L589-F627 HydrophobicContact CD1-CZ 3.84Å; L589-N632 WeakPolarHBondContact CB-OD1 3.47Å
590	A	95.9	Very high	93.5	Very high	32 Å²	32	44.8 Å²	44.8	26%	0.264	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-54.9	125.8	175.1	0	0	0	0	0	110.3	T576 F627 N632 W634	T576-A590 WeakPolarHBondContact CB-O 3.16Å; T576-A590 PolarHBondContact OG1-O 2.86Å; A590-F627 HydrophobicContact CB-CE2 4.41Å; A590-N632 VanDerWaalsContact CB-O 3.3Å; A590-N632 WeakPolarHBondContact CB-O 3.44Å; A590-N632 PolarHBondContact N-OD1 2.93Å; A590-W634 PolarHBondContact O-NE1 2.75Å
591	S	94.5	Very high	93.3	Very high	60 Å²	60	43.9 Å²	43.9	42%	0.42	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-75.6	152	-177.9	-61.6	0	0	0	0	111.3	S575 L589 W634	S575-S591 WeakPolarHBondContact CA-OG 3.41Å; L589-S591 PolarHBondContact O-N 2.81Å; S591-W634 PolarHBondContact O-NE1 2.97Å
592	M	93	Very high	93.1	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.034	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-60.4	136.7	176.6	-77.3	-173	-72.6	0	0	111.2	F557 G558 P574 I594 R596 V610 L625 W634	F557-M592 HydrophobicContact CB-CE 4.34Å; G558-M592 VanDerWaalsContact N-CE 3.33Å; P574-M592 PolarHBondContact O-N 3.35Å; M592-I594 VanDerWaalsContact C-N 3.29Å; M592-I594 PolarHBondContact O-N 3.31Å; M592-R596 HydrophobicContact CE-CG 4.15Å; M592-R596 HydrophobicContact SD-CG 4.14Å; M592-V610 HydrophobicContact SD-CG1 4.11Å; M592-V610 HydrophobicContact SD-CG2 4.37Å; M592-L625 HydrophobicContact CB-CD1 4.23Å; M592-L625 HydrophobicContact CG-CD1 4.09Å; M592-L625 HydrophobicContact SD-CD1 4.01Å; M592-W634 HydrophobicContact CB-CZ2 4.48Å; M592-W634 HydrophobicContact CG-CD2 4.16Å; M592-W634 HydrophobicContact CG-CE3 4.36Å; M592-W634 HydrophobicContact CG-CH2 3.55Å; M592-W634 HydrophobicContact CG-CZ2 3.32Å; M592-W634 HydrophobicContact CG-CZ3 4.07Å; M592-W634 HydrophobicContact SD-CH2 4.11Å; M592-W634 HydrophobicContact SD-CZ2 4.39Å
593	P	89.1	Confident	92.9	Very high	69 Å²	69	37.9 Å²	37.9	45%	0.448	22%	0.224	S	C	.	.	S	Bend	trans	-57.3	-40.1	176.3	-26.8	34.9	0	0	0	113.3	W634 E636	P593-W634 HydrophobicContact CG-CB 3.96Å; P593-W634 HydrophobicContact CG-CG 4.44Å; P593-E636 WeakPolarHBondContact CB-OE1 3.4Å; P593-E636 HydrophobicContact CG-CG 4.44Å; P593-E636 VanDerWaalsContact CG-OE1 3.31Å; P593-E636 WeakPolarHBondContact CG-OE1 3.46Å
594	I	83.5	Confident	92.2	Very high	73 Å²	73	35.4 Å²	35.4	37%	0.374	21%	0.207	S	C	.	.	S	Bend	trans	-127.5	102	171.4	-53.4	178	0	0	0	108.7	M592 R596 C615	M592-I594 VanDerWaalsContact C-N 3.29Å; M592-I594 PolarHBondContact O-N 3.31Å; I594-R596 PolarHBondContact O-NE 2.82Å; I594-R596 VanDerWaalsContact O-NE 3.08Å; I594-C615 HydrophobicContact CG2-CB 3.9Å
595	G	85.4	Confident	91.2	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	22%	0.219	C	C	.	.			trans	-67.3	149.7	175.7	0	0	0	0	0	113.3	Y616	G595-Y616 WeakPolarHBondContact O-CD2 3.48Å; G595-Y616 PolarHBondContact O-N 3.23Å
596	R	91.1	Very high	90.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	158	-163.6	54.2	-177.2	80.5	-170.7	5.2	112.7	G558 G559 M592 I594 H599 G612 L614 Y616 S623	G558-R596 WeakPolarHBondContact CA-O 3.35Å; G559-R596 PolarHBondContact N-O 3.06Å; M592-R596 HydrophobicContact CE-CG 4.15Å; M592-R596 HydrophobicContact SD-CG 4.14Å; I594-R596 PolarHBondContact O-NE 2.82Å; I594-R596 VanDerWaalsContact O-NE 3.08Å; R596-H599 HydrophobicContact CG-CB 4.25Å; R596-H599 PolarHBondContact O-CE1 3.32Å; R596-H599 PolarHBondContact O-ND1 3.23Å; R596-G612 WeakPolarHBondContact CD-O 3.37Å; R596-G612 PolarHBondContact NH1-O 2.87Å; R596-L614 CarbonylContact C-O 3.58Å; R596-L614 WeakPolarHBondContact CA-O 3.31Å; R596-L614 WeakPolarHBondContact CB-O 3.28Å; R596-Y616 VanDerWaalsContact N-CE1 3.33Å; R596-Y616 PolarHBondContact N-OH 2.9Å; R596-Y616 PolarHBondContact O-OH 2.93Å; R596-S623 PolarHBondContact NH1-O 2.93Å; R596-S623 PolarHBondContact NH1-OG 2.97Å; R596-S623 PolarHBondContact NH2-OG 2.81Å
597	S	90.6	Very high	90.1	Very high	15 Å²	15	41.2 Å²	41.2	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.7	173.9	52.5	0	0	0	0	111.5	F544 H599 G613 L614	F544-S597 VanDerWaalsContact O-CA 3.31Å; F544-S597 WeakPolarHBondContact O-CA 3.48Å; F544-S597 WeakPolarHBondContact O-CB 3.42Å; S597-H599 PolarHBondContact O-N 3.44Å; S597-H599 VanDerWaalsContact O-N 3.11Å; S597-G613 WeakPolarHBondContact O-CA 3.37Å; S597-L614 PolarHBondContact N-O 3.48Å; S597-L614 PolarHBondContact O-N 3.07Å
598	G	86.7	Confident	89.9	Confident	19 Å²	19	37.4 Å²	37.4	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	61.8	20.3	-179.5	0	0	0	0	0	114.4	F544 D647 G648 L649	F544-G598 PolarHBondContact O-N 3.06Å; G598-D647 CarbonylContact O-C 3.55Å; G598-D647 WeakPolarHBondContact O-CA 3.49Å; G598-G648 PolarHBondContact O-N 2.68Å; G598-L649 PolarHBondContact O-N 3.33Å
599	H	91.6	Very high	89.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.			trans	-79	161.6	175.6	55.7	-88.7	0	0	0	110.6	K546 F557 R596 S597 V610 L611	K546-H599 VanDerWaalsContact CE-O 3.3Å; K546-H599 WeakPolarHBondContact CE-O 3.38Å; K546-H599 WeakPolarHBondContact CG-O 3.47Å; F557-H599 PolarHBondContact O-CE1 3.43Å; F557-H599 VanDerWaalsContact O-CE1 3.31Å; F557-H599 PolarHBondContact O-NE2 2.81Å; R596-H599 HydrophobicContact CG-CB 4.25Å; R596-H599 PolarHBondContact O-CE1 3.32Å; R596-H599 PolarHBondContact O-ND1 3.23Å; S597-H599 PolarHBondContact O-N 3.44Å; S597-H599 VanDerWaalsContact O-N 3.11Å; H599-V610 HydrophobicContact CB-CG1 4.12Å; H599-L611 WeakPolarHBondContact CA-O 3.36Å; H599-L611 WeakPolarHBondContact CB-O 3.3Å
600	G	91.4	Very high	89.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.7	172.5	0	0	0	0	0	111.3	V610 L611	G600-V610 WeakPolarHBondContact O-CA 3.39Å; G600-L611 PolarHBondContact N-O 3.21Å; G600-L611 PolarHBondContact O-N 3.15Å
601	V	93.1	Very high	89.4	Confident	15 Å²	15	30.7 Å²	30.7	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.8	173.5	177.9	0	0	0	0	110.8	K546 I548 F557 I608 M609 V610	K546-V601 HydrophobicContact CB-CB 4.08Å; K546-V601 HydrophobicContact CB-CG2 3.39Å; K546-V601 HydrophobicContact CG-CB 4.49Å; K546-V601 HydrophobicContact CG-CG2 3.9Å; I548-V601 HydrophobicContact CB-CG1 4.07Å; I548-V601 HydrophobicContact CD1-CG1 3.92Å; I548-V601 HydrophobicContact CG2-CG1 3.86Å; F557-V601 HydrophobicContact CD2-CG2 4.37Å; F557-V601 HydrophobicContact CE2-CG1 4.42Å; V601-I608 HydrophobicContact CG1-CG2 3.6Å; V601-M609 VanDerWaalsContact CA-O 3.28Å; V601-M609 WeakPolarHBondContact CA-O 3.38Å; V601-V610 HydrophobicContact CG2-CG2 4.13Å
602	A	92.1	Very high	89.2	Confident	4 Å²	4	27.9 Å²	27.9	3%	0.033	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.1	173.2	0	0	0	0	0	111.1	T335 M609 V651	T335-A602 HydrophobicContact CG2-CB 4.19Å; A602-M609 PolarHBondContact N-O 2.8Å; A602-M609 VanDerWaalsContact N-O 3.16Å; A602-M609 PolarHBondContact O-N 2.72Å; A602-V651 HydrophobicContact CB-CG1 3.96Å
603	V	89.3	Confident	89.1	Confident	43 Å²	43	27.5 Å²	27.5	26%	0.261	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.9	170	179	0	0	0	0	109.3	I548 Q607 I608 S653	I548-V603 HydrophobicContact CD1-CG2 3.84Å; I548-V603 HydrophobicContact CG1-CG2 4.42Å; V603-Q607 WeakPolarHBondContact CA-O 3.22Å; V603-I608 HydrophobicContact CG2-CG1 4.41Å; V603-S653 PolarHBondContact O-OG 3.12Å; V603-S653 VanDerWaalsContact O-OG 3.05Å
604	L	82.4	Confident	89	Confident	25 Å²	25	26.7 Å²	26.7	13%	0.131	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.3	172.1	-168.2	71.9	0	0	0	108.5	R606 Q607 M609 Y639	L604-R606 PolarHBondContact O-N 2.83Å; L604-R606 VanDerWaalsContact O-N 3.08Å; L604-Q607 PolarHBondContact N-O 2.88Å; L604-Q607 PolarHBondContact O-N 3.35Å; L604-Q607 VanDerWaalsContact O-O 3.08Å; L604-M609 HydrophobicContact CB-CG 4.21Å; L604-M609 HydrophobicContact CB-SD 3.59Å; L604-M609 VanDerWaalsContact CB-SD 3.59Å; L604-M609 HydrophobicContact CD2-SD 3.69Å; L604-M609 HydrophobicContact CG-SD 4.28Å; L604-Y639 HydrophobicContact CD2-CE1 4.12Å
605	D	77.9	Confident	89.3	Confident	85 Å²	85	23.5 Å²	23.5	46%	0.455	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	31.8	176.4	-59.3	-56.7	0	0	0	115.7	R356 Q607	R356-D605 IonicContact CZ-OD1 3.62Å; R356-D605 IonicContact CZ-OD2 2.79Å; R356-D605 IonicContact NH2-OD1 2.66Å; R356-D605 PolarHBondContact NH2-OD1 2.76Å; R356-D605 IonicContact NH2-OD2 2.83Å; R356-D605 PolarHBondContact NH2-OD2 2.82Å; D605-Q607 PolarHBondContact O-N 2.83Å
606	R	83.9	Confident	89.2	Confident	195 Å²	195	27 Å²	27	74%	0.736	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-0.2	-172	-47.7	179	179.8	-170.3	-0.2	115.7	H550 L604	H550-R606 PolarHBondContact NE2-O 2.71Å; L604-R606 PolarHBondContact O-N 2.83Å; L604-R606 VanDerWaalsContact O-N 3.08Å
607	Q	89	Confident	88.7	Confident	28 Å²	28	31.9 Å²	31.9	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	153.2	169	-64	-179.8	-34.4	0	0	110.4	V603 L604 D605 T626	V603-Q607 WeakPolarHBondContact CA-O 3.22Å; L604-Q607 PolarHBondContact N-O 2.88Å; L604-Q607 PolarHBondContact O-N 3.35Å; L604-Q607 VanDerWaalsContact O-O 3.08Å; D605-Q607 PolarHBondContact O-N 2.83Å; Q607-T626 HydrophobicContact CB-CG2 4.45Å
608	I	93.8	Very high	88.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.4	172.5	-56.1	174.5	0	0	0	108.1	I548 H550 Y555 F557 V601 V603 F627 P629	I548-I608 HydrophobicContact CG2-CD1 4.23Å; I548-I608 HydrophobicContact CG2-CG2 4.06Å; H550-I608 HydrophobicContact CB-CD1 4.15Å; Y555-I608 HydrophobicContact CD1-CD1 4.13Å; Y555-I608 HydrophobicContact CD2-CD1 3.9Å; Y555-I608 HydrophobicContact CE2-CD1 4.42Å; Y555-I608 HydrophobicContact CG-CD1 3.75Å; F557-I608 HydrophobicContact CE2-CD1 4.41Å; F557-I608 HydrophobicContact CE2-CG2 3.74Å; F557-I608 HydrophobicContact CZ-CB 4.27Å; F557-I608 HydrophobicContact CZ-CD1 3.94Å; F557-I608 HydrophobicContact CZ-CG2 3.72Å; V601-I608 HydrophobicContact CG1-CG2 3.6Å; V603-I608 HydrophobicContact CG2-CG1 4.41Å; I608-F627 HydrophobicContact CB-CB 4.38Å; I608-F627 PolarHBondContact N-O 2.9Å; I608-F627 PolarHBondContact O-N 2.78Å; I608-P629 HydrophobicContact CD1-CG 4.17Å; I608-P629 HydrophobicContact CG1-CG 4.3Å
609	M	92.9	Very high	88.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.8	178.9	-54.5	-174.2	73.8	0	0	110.3	L354 V601 A602 L604 L611 I624 T626 Y639	L354-M609 HydrophobicContact CD2-CE 3.75Å; V601-M609 VanDerWaalsContact CA-O 3.28Å; V601-M609 WeakPolarHBondContact CA-O 3.38Å; A602-M609 PolarHBondContact N-O 2.8Å; A602-M609 VanDerWaalsContact N-O 3.16Å; A602-M609 PolarHBondContact O-N 2.72Å; L604-M609 HydrophobicContact CB-CG 4.21Å; L604-M609 HydrophobicContact CB-SD 3.59Å; L604-M609 VanDerWaalsContact CB-SD 3.59Å; L604-M609 HydrophobicContact CD2-SD 3.69Å; L604-M609 HydrophobicContact CG-SD 4.28Å; M609-L611 HydrophobicContact CB-CD1 3.71Å; M609-I624 HydrophobicContact CE-CG2 3.6Å; M609-T626 HydrophobicContact CG-CG2 4.13Å; M609-Y639 HydrophobicContact CE-CD1 3.89Å; M609-Y639 HydrophobicContact CE-CD2 3.98Å; M609-Y639 HydrophobicContact CE-CE1 3.94Å; M609-Y639 HydrophobicContact CE-CE2 4.05Å; M609-Y639 HydrophobicContact CE-CG 3.91Å
610	V	93.6	Very high	88	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.9	168	171.9	0	0	0	0	108.3	F557 M592 H599 G600 V601 I624 L625 W634	F557-V610 HydrophobicContact CG-CG2 4.47Å; M592-V610 HydrophobicContact SD-CG1 4.11Å; M592-V610 HydrophobicContact SD-CG2 4.37Å; H599-V610 HydrophobicContact CB-CG1 4.12Å; G600-V610 WeakPolarHBondContact O-CA 3.39Å; V601-V610 HydrophobicContact CG2-CG2 4.13Å; V610-I624 CarbonylContact O-C 3.52Å; V610-I624 WeakPolarHBondContact O-CA 3.39Å; V610-L625 HydrophobicContact CB-CB 4.27Å; V610-L625 PolarHBondContact N-O 3.4Å; V610-L625 PolarHBondContact O-N 2.76Å; V610-W634 HydrophobicContact CB-CZ3 4.23Å; V610-W634 HydrophobicContact CG2-CH2 3.6Å; V610-W634 HydrophobicContact CG2-CZ3 3.71Å
611	L	92.4	Very high	87.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.7	-174.8	-63.9	86.2	0	0	0	110.9	T335 V337 W360 H599 G600 M609 I624 M642 L649 V651	T335-L611 HydrophobicContact CG2-CD2 4.46Å; V337-L611 HydrophobicContact CG2-CD2 4Å; W360-L611 HydrophobicContact CH2-CD2 3.87Å; W360-L611 HydrophobicContact CZ2-CD2 4.1Å; H599-L611 WeakPolarHBondContact CA-O 3.36Å; H599-L611 WeakPolarHBondContact CB-O 3.3Å; G600-L611 PolarHBondContact N-O 3.21Å; G600-L611 PolarHBondContact O-N 3.15Å; M609-L611 HydrophobicContact CB-CD1 3.71Å; L611-I624 HydrophobicContact CG-CG1 4.31Å; L611-I624 HydrophobicContact CG-CG2 4.42Å; L611-M642 HydrophobicContact CB-SD 4.08Å; L611-M642 HydrophobicContact CD2-SD 4.42Å; L611-L649 WeakPolarHBondContact O-CD1 3.32Å; L611-V651 HydrophobicContact CD1-CG1 4.21Å; L611-V651 HydrophobicContact CD2-CG1 4.37Å
612	G	91.1	Very high	87.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.			trans	57.1	-137.1	169.7	0	0	0	0	0	114.4	R596 S621 S623 M642	R596-G612 WeakPolarHBondContact CD-O 3.37Å; R596-G612 PolarHBondContact NH1-O 2.87Å; G612-S621 WeakPolarHBondContact CA-O 3.09Å; G612-S623 PolarHBondContact N-O 2.96Å; G612-M642 VanDerWaalsContact CA-CE 3.46Å
613	G	89.8	Confident	87.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.			trans	87.9	170.1	-177.4	0	0	0	0	0	114.2	S597 S621 L646	S597-G613 WeakPolarHBondContact O-CA 3.37Å; G613-S621 WeakPolarHBondContact O-CB 3.46Å; G613-S621 PolarHBondContact O-N 2.95Å; G613-L646 WeakPolarHBondContact CA-O 3.3Å; G613-L646 PolarHBondContact N-O 3.21Å
614	L	88.3	Confident	87.7	Confident	51 Å²	51	42.5 Å²	42.5	27%	0.267	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	115.1	172.9	178.9	60.3	0	0	0	109.7	R596 S597 Y620 D647	R596-L614 CarbonylContact C-O 3.58Å; R596-L614 WeakPolarHBondContact CA-O 3.31Å; R596-L614 WeakPolarHBondContact CB-O 3.28Å; S597-L614 PolarHBondContact N-O 3.48Å; S597-L614 PolarHBondContact O-N 3.07Å; L614-Y620 HydrophobicContact CB-CD1 4.44Å; L614-Y620 HydrophobicContact CB-CE1 4.48Å; L614-Y620 HydrophobicContact CD1-CD1 4.15Å; L614-Y620 HydrophobicContact CD1-CE1 4.08Å; L614-Y620 HydrophobicContact CD1-CG 4.43Å; L614-D647 HydrophobicContact CB-CB 4.5Å
615	C	88.1	Confident	88.2	Confident	6 Å²	6	41.3 Å²	41.3	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	151	175.2	-66.8	0	0	0	0	111.4	I594 N617 G618 H619	I594-C615 HydrophobicContact CG2-CB 3.9Å; C615-N617 WeakPolarHBondContact CB-OD1 3.28Å; C615-N617 PolarHBondContact O-N 2.83Å; C615-G618 PolarHBondContact O-N 2.88Å; C615-H619 WeakPolarHBondContact CB-O 3.17Å; C615-H619 PolarHBondContact N-O 2.92Å
616	Y	84.1	Confident	89	Confident	80 Å²	80	37.3 Å²	37.3	31%	0.314	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6	-176.5	-48.3	-35.8	0	0	0	115.1	G559 G572 C573 P574 G595 R596 G618	G559-Y616 PolarHBondContact N-OH 3.41Å; G559-Y616 WeakPolarHBondContact O-CE1 3.42Å; G559-Y616 PolarHBondContact O-OH 3.27Å; G572-Y616 VanDerWaalsContact CA-CZ 3.41Å; C573-Y616 VanDerWaalsContact N-CZ 3.25Å; C573-Y616 PolarHBondContact N-OH 3.08Å; C573-Y616 PolarHBondContact O-OH 3.06Å; P574-Y616 HydrophobicContact CB-CE2 4.19Å; G595-Y616 WeakPolarHBondContact O-CD2 3.48Å; G595-Y616 PolarHBondContact O-N 3.23Å; R596-Y616 VanDerWaalsContact N-CE1 3.33Å; R596-Y616 PolarHBondContact N-OH 2.9Å; R596-Y616 PolarHBondContact O-OH 2.93Å; Y616-G618 VanDerWaalsContact C-N 3.25Å
617	N	81.8	Confident	89.5	Confident	102 Å²	102	28 Å²	28	55%	0.545	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	7	168.6	63.1	-2	0	0	0	113.4	C615 H619	C615-N617 WeakPolarHBondContact CB-OD1 3.28Å; C615-N617 PolarHBondContact O-N 2.83Å; N617-H619 PolarHBondContact OD1-N 2.99Å
618	G	80.1	Confident	89.8	Confident	52 Å²	52	27.8 Å²	27.8	54%	0.536	15%	0.148	S	C	.	.	S	Bend	trans	82.4	13.4	178.9	0	0	0	0	0	114.6	C615 Y616	C615-G618 PolarHBondContact O-N 2.88Å; Y616-G618 VanDerWaalsContact C-N 3.25Å
619	H	85.1	Confident	89.8	Confident	125 Å²	125	28.7 Å²	28.7	58%	0.579	15%	0.154	S	C	*	.			trans	-112	128.9	-179.8	-62.3	-34.5	0	0	0	112.3	C615 N617	C615-H619 WeakPolarHBondContact CB-O 3.17Å; C615-H619 PolarHBondContact N-O 2.92Å; N617-H619 PolarHBondContact OD1-N 2.99Å
620	Y	86.9	Confident	89.8	Confident	82 Å²	82	35.1 Å²	35.1	32%	0.322	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-61.9	137.4	165	-56.6	-81.5	0	0	0	110	L614 K645 D647	L614-Y620 HydrophobicContact CB-CD1 4.44Å; L614-Y620 HydrophobicContact CB-CE1 4.48Å; L614-Y620 HydrophobicContact CD1-CD1 4.15Å; L614-Y620 HydrophobicContact CD1-CE1 4.08Å; L614-Y620 HydrophobicContact CD1-CG 4.43Å; Y620-K645 WeakPolarHBondContact O-CD 3.21Å; Y620-D647 HydrophobicContact CD1-CB 4.01Å; Y620-D647 HydrophobicContact CE1-CB 4.28Å; Y620-D647 WeakPolarHBondContact CE1-OD1 3.35Å
621	S	88.3	Confident	89.8	Confident	14 Å²	14	39.3 Å²	39.3	10%	0.098	21%	0.207	C	C	.	.			trans	-101.6	144.6	-174.1	-147.9	0	0	0	0	113	G612 G613 S623 M642 K645 L646	G612-S621 WeakPolarHBondContact CA-O 3.09Å; G613-S621 WeakPolarHBondContact O-CB 3.46Å; G613-S621 PolarHBondContact O-N 2.95Å; S621-S623 PolarHBondContact OG-N 2.71Å; S621-S623 PolarHBondContact OG-OG 2.85Å; S621-M642 WeakPolarHBondContact O-CE 3.41Å; S621-K645 WeakPolarHBondContact O-CA 3.3Å; S621-L646 PolarHBondContact O-N 2.72Å
622	D	89.5	Confident	89.9	Confident	29 Å²	29	42.4 Å²	42.4	16%	0.155	22%	0.224	C	C	.	.			trans	-101.5	-5.8	163.7	50.1	41.3	0	0	0	111.6	R641 M642 K645	D622-R641 HydrophobicContact CB-CB 4.18Å; D622-R641 CarbonylContact O-C 3.52Å; D622-R641 WeakPolarHBondContact O-CA 3.35Å; D622-R641 WeakPolarHBondContact OD1-CD 3.04Å; D622-R641 IonicContact OD1-CZ 3.47Å; D622-R641 IonicContact OD1-NH1 2.71Å; D622-R641 PolarHBondContact OD1-NH1 3.33Å; D622-M642 PolarHBondContact O-N 2.71Å; D622-K645 HydrophobicContact CB-CG 3.8Å; D622-K645 WeakPolarHBondContact OD2-CE 3.07Å; D622-K645 IonicContact OD2-NZ 2.68Å
623	S	91.3	Very high	90.1	Very high	10 Å²	10	47.2 Å²	47.2	7%	0.07	25%	0.245	C	C	.	.			trans	-75.9	146.1	-173.1	66	0	0	0	0	112.8	R596 G612 S621	R596-S623 PolarHBondContact NH1-O 2.93Å; R596-S623 PolarHBondContact NH1-OG 2.97Å; R596-S623 PolarHBondContact NH2-OG 2.81Å; G612-S623 PolarHBondContact N-O 2.96Å; S621-S623 PolarHBondContact OG-N 2.71Å; S621-S623 PolarHBondContact OG-OG 2.85Å
624	I	91.8	Very high	90.4	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.6	169.2	-56.3	173.9	0	0	0	106.6	L354 W360 M609 V610 L611 P640 M642	L354-I624 HydrophobicContact CD2-CD1 4.21Å; W360-I624 HydrophobicContact CZ2-CD1 3.77Å; M609-I624 HydrophobicContact CE-CG2 3.6Å; V610-I624 CarbonylContact O-C 3.52Å; V610-I624 WeakPolarHBondContact O-CA 3.39Å; L611-I624 HydrophobicContact CG-CG1 4.31Å; L611-I624 HydrophobicContact CG-CG2 4.42Å; I624-P640 WeakPolarHBondContact CD1-O 3.28Å; I624-M642 HydrophobicContact CG1-CG 4.42Å
625	L	93.1	Very high	90.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.4	167.7	-49.2	175.9	0	0	0	108.5	M592 V610 W634 E636	M592-L625 HydrophobicContact CB-CD1 4.23Å; M592-L625 HydrophobicContact CG-CD1 4.09Å; M592-L625 HydrophobicContact SD-CD1 4.01Å; V610-L625 HydrophobicContact CB-CB 4.27Å; V610-L625 PolarHBondContact N-O 3.4Å; V610-L625 PolarHBondContact O-N 2.76Å; L625-W634 HydrophobicContact CB-CE3 3.65Å; L625-W634 HydrophobicContact CB-CZ3 3.74Å; L625-W634 HydrophobicContact CD1-CE3 4.31Å; L625-W634 HydrophobicContact CD1-CZ3 4.38Å; L625-E636 HydrophobicContact CD2-CG 3.79Å
626	T	93.9	Very high	90.6	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.8	171.7	27.4	0	0	0	0	110	Q607 M609 W634 K635 E638 Y639	Q607-T626 HydrophobicContact CB-CG2 4.45Å; M609-T626 HydrophobicContact CG-CG2 4.13Å; T626-W634 CarbonylContact O-C 3.55Å; T626-W634 WeakPolarHBondContact O-CA 3.47Å; T626-K635 PolarHBondContact N-O 3.41Å; T626-K635 PolarHBondContact O-N 3Å; T626-K635 WeakPolarHBondContact OG1-CB 3.47Å; T626-K635 PolarHBondContact OG1-O 3.25Å; T626-E638 WeakPolarHBondContact CB-OE2 3.39Å; T626-E638 PolarHBondContact OG1-OE2 3.12Å; T626-Y639 HydrophobicContact CG2-CD2 4.02Å; T626-Y639 HydrophobicContact CG2-CE2 3.71Å
627	F	95.4	Very high	90.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.1	170.3	-172.5	-114.2	0	0	0	110.1	Y555 F557 T576 L589 A590 I608 P629 K633 W634	Y555-F627 HydrophobicContact CD1-CE1 4.2Å; Y555-F627 HydrophobicContact CE1-CE1 4.12Å; F557-F627 HydrophobicContact CE1-CB 4.38Å; F557-F627 HydrophobicContact CE1-CD1 4.23Å; F557-F627 HydrophobicContact CE1-CG 4.32Å; F557-F627 HydrophobicContact CZ-CD1 4.4Å; T576-F627 HydrophobicContact CG2-CZ 4.49Å; L589-F627 HydrophobicContact CB-CZ 4.22Å; L589-F627 HydrophobicContact CD1-CE1 3.96Å; L589-F627 HydrophobicContact CD1-CZ 3.84Å; A590-F627 HydrophobicContact CB-CE2 4.41Å; I608-F627 HydrophobicContact CB-CB 4.38Å; I608-F627 PolarHBondContact N-O 2.9Å; I608-F627 PolarHBondContact O-N 2.78Å; F627-P629 HydrophobicContact CD1-CG 4.31Å; F627-P629 HydrophobicContact CE1-CB 4.38Å; F627-P629 WeakPolarHBondContact O-CD 3.37Å; F627-K633 VanDerWaalsContact CD2-O 3.28Å; F627-K633 WeakPolarHBondContact CD2-O 3.4Å; F627-W634 HydrophobicContact CB-CD2 4.12Å; F627-W634 HydrophobicContact CB-CE3 3.86Å; F627-W634 HydrophobicContact CB-CH2 3.67Å; F627-W634 HydrophobicContact CB-CZ2 3.89Å; F627-W634 HydrophobicContact CB-CZ3 3.65Å; F627-W634 AromaticContact CD2-CD1 3.96Å; F627-W634 AromaticContact CD2-CD2 3.83Å; F627-W634 HydrophobicContact CD2-CD2 3.83Å; F627-W634 AromaticContact CD2-CE2 3.49Å; F627-W634 VanDerWaalsContact CD2-CE2 3.49Å; F627-W634 HydrophobicContact CD2-CE3 4.44Å; F627-W634 HydrophobicContact CD2-CG 4.11Å; F627-W634 HydrophobicContact CD2-CH2 4.48Å; F627-W634 AromaticContact CD2-CZ2 3.84Å; F627-W634 HydrophobicContact CD2-CZ2 3.84Å; F627-W634 AromaticContact CD2-NE1 3.56Å; F627-W634 AromaticContact CE2-NE1 3.93Å; F627-W634 HydrophobicContact CG-CD2 4.42Å; F627-W634 HydrophobicContact CG-CH2 4.28Å; F627-W634 HydrophobicContact CG-CZ2 4.01Å
628	D	94.5	Very high	90.6	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.9	175.6	-164	-56	0	0	0	108.5	D630 E631 N632 K633 K635	D628-D630 VanDerWaalsContact C-N 3.29Å; D628-D630 PolarHBondContact O-N 2.86Å; D628-D630 PolarHBondContact OD1-N 2.87Å; D628-E631 HydrophobicContact CB-CB 4.09Å; D628-E631 PolarHBondContact OD1-N 3.42Å; D628-N632 WeakPolarHBondContact O-CA 3.35Å; D628-N632 PolarHBondContact O-N 2.76Å; D628-K633 PolarHBondContact N-O 2.61Å; D628-K633 PolarHBondContact O-N 2.72Å; D628-K635 IonicContact OD2-NZ 3.7Å; D628-K635 PolarHBondContact OD2-NZ 3.43Å
629	P	93.4	Very high	91	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.123	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.6	-174.6	-20.1	33.6	0	0	0	113.5	Y555 I608 F627	Y555-P629 HydrophobicContact CE1-CB 4.2Å; I608-P629 HydrophobicContact CD1-CG 4.17Å; I608-P629 HydrophobicContact CG1-CG 4.3Å; F627-P629 HydrophobicContact CD1-CG 4.31Å; F627-P629 HydrophobicContact CE1-CB 4.38Å; F627-P629 WeakPolarHBondContact O-CD 3.37Å
630	D	92.8	Very high	91.2	Very high	134 Å²	134	47.3 Å²	47.3	72%	0.717	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-38.8	-177.4	-64.3	-26.5	0	0	0	110.8	D628	D628-D630 VanDerWaalsContact C-N 3.29Å; D628-D630 PolarHBondContact O-N 2.86Å; D628-D630 PolarHBondContact OD1-N 2.87Å
631	E	94.1	Very high	91.3	Very high	88 Å²	88	49 Å²	49	41%	0.411	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.9	172.9	-66.2	-157.4	103	0	0	114.4	D628 K633 K635	D628-E631 HydrophobicContact CB-CB 4.09Å; D628-E631 PolarHBondContact OD1-N 3.42Å; E631-K633 HydrophobicContact CB-CB 4.24Å; E631-K633 HydrophobicContact CB-CD 3.92Å; E631-K633 HydrophobicContact CB-CG 4.13Å; E631-K633 IonicContact OE1-NZ 2.75Å; E631-K633 PolarHBondContact OE1-NZ 2.8Å; E631-K633 IonicContact OE2-NZ 3.17Å; E631-K635 WeakPolarHBondContact OE2-CE 3.43Å; E631-K635 IonicContact OE2-NZ 3.77Å; E631-K635 PolarHBondContact OE2-NZ 2.88Å
632	N	95.4	Very high	91.4	Very high	65 Å²	65	48.8 Å²	48.8	35%	0.348	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	51.2	-168.2	-174.1	18.4	0	0	0	112.5	L589 A590 D628	L589-N632 WeakPolarHBondContact CB-OD1 3.47Å; A590-N632 VanDerWaalsContact CB-O 3.3Å; A590-N632 WeakPolarHBondContact CB-O 3.44Å; A590-N632 PolarHBondContact N-OD1 2.93Å; D628-N632 WeakPolarHBondContact O-CA 3.35Å; D628-N632 PolarHBondContact O-N 2.76Å
633	K	95.1	Very high	91.2	Very high	102 Å²	102	50.3 Å²	50.3	44%	0.443	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.4	-175.8	-70.4	171.7	-155.2	160.8	0	112.4	F627 D628 E631	F627-K633 VanDerWaalsContact CD2-O 3.28Å; F627-K633 WeakPolarHBondContact CD2-O 3.4Å; D628-K633 PolarHBondContact N-O 2.61Å; D628-K633 PolarHBondContact O-N 2.72Å; E631-K633 HydrophobicContact CB-CB 4.24Å; E631-K633 HydrophobicContact CB-CD 3.92Å; E631-K633 HydrophobicContact CB-CG 4.13Å; E631-K633 IonicContact OE1-NZ 2.75Å; E631-K633 PolarHBondContact OE1-NZ 2.8Å; E631-K633 IonicContact OE2-NZ 3.17Å
634	W	94.8	Very high	90.8	Very high	34 Å²	34	51.3 Å²	51.3	13%	0.129	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.4	163.4	-68.4	91.8	0	0	0	110.7	F557 T576 A590 S591 M592 P593 V610 L625 T626 F627	F557-W634 AromaticContact CD1-CH2 3.53Å; F557-W634 HydrophobicContact CD1-CH2 3.53Å; F557-W634 AromaticContact CD1-CZ2 3.56Å; F557-W634 HydrophobicContact CD1-CZ2 3.56Å; F557-W634 AromaticContact CE1-CH2 3.6Å; F557-W634 HydrophobicContact CE1-CH2 3.6Å; F557-W634 AromaticContact CE1-CZ2 3.62Å; F557-W634 HydrophobicContact CE1-CZ2 3.62Å; T576-W634 WeakPolarHBondContact OG1-CZ2 2.8Å; T576-W634 PolarHBondContact OG1-NE1 3.07Å; A590-W634 PolarHBondContact O-NE1 2.75Å; S591-W634 PolarHBondContact O-NE1 2.97Å; M592-W634 HydrophobicContact CB-CZ2 4.48Å; M592-W634 HydrophobicContact CG-CD2 4.16Å; M592-W634 HydrophobicContact CG-CE3 4.36Å; M592-W634 HydrophobicContact CG-CH2 3.55Å; M592-W634 HydrophobicContact CG-CZ2 3.32Å; M592-W634 HydrophobicContact CG-CZ3 4.07Å; M592-W634 HydrophobicContact SD-CH2 4.11Å; M592-W634 HydrophobicContact SD-CZ2 4.39Å; P593-W634 HydrophobicContact CG-CB 3.96Å; P593-W634 HydrophobicContact CG-CG 4.44Å; V610-W634 HydrophobicContact CB-CZ3 4.23Å; V610-W634 HydrophobicContact CG2-CH2 3.6Å; V610-W634 HydrophobicContact CG2-CZ3 3.71Å; L625-W634 HydrophobicContact CB-CE3 3.65Å; L625-W634 HydrophobicContact CB-CZ3 3.74Å; L625-W634 HydrophobicContact CD1-CE3 4.31Å; L625-W634 HydrophobicContact CD1-CZ3 4.38Å; T626-W634 CarbonylContact O-C 3.55Å; T626-W634 WeakPolarHBondContact O-CA 3.47Å; F627-W634 HydrophobicContact CB-CD2 4.12Å; F627-W634 HydrophobicContact CB-CE3 3.86Å; F627-W634 HydrophobicContact CB-CH2 3.67Å; F627-W634 HydrophobicContact CB-CZ2 3.89Å; F627-W634 HydrophobicContact CB-CZ3 3.65Å; F627-W634 AromaticContact CD2-CD1 3.96Å; F627-W634 AromaticContact CD2-CD2 3.83Å; F627-W634 HydrophobicContact CD2-CD2 3.83Å; F627-W634 AromaticContact CD2-CE2 3.49Å; F627-W634 VanDerWaalsContact CD2-CE2 3.49Å; F627-W634 HydrophobicContact CD2-CE3 4.44Å; F627-W634 HydrophobicContact CD2-CG 4.11Å; F627-W634 HydrophobicContact CD2-CH2 4.48Å; F627-W634 AromaticContact CD2-CZ2 3.84Å; F627-W634 HydrophobicContact CD2-CZ2 3.84Å; F627-W634 AromaticContact CD2-NE1 3.56Å; F627-W634 AromaticContact CE2-NE1 3.93Å; F627-W634 HydrophobicContact CG-CD2 4.42Å; F627-W634 HydrophobicContact CG-CH2 4.28Å; F627-W634 HydrophobicContact CG-CZ2 4.01Å
635	K	93	Very high	90.6	Very high	51 Å²	51	56.3 Å²	56.3	22%	0.222	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.8	174.4	-65.7	164.3	-174.2	174.6	0	107.6	T626 D628 E631 E638	T626-K635 PolarHBondContact N-O 3.41Å; T626-K635 PolarHBondContact O-N 3Å; T626-K635 WeakPolarHBondContact OG1-CB 3.47Å; T626-K635 PolarHBondContact OG1-O 3.25Å; D628-K635 IonicContact OD2-NZ 3.7Å; D628-K635 PolarHBondContact OD2-NZ 3.43Å; E631-K635 WeakPolarHBondContact OE2-CE 3.43Å; E631-K635 IonicContact OE2-NZ 3.77Å; E631-K635 PolarHBondContact OE2-NZ 2.88Å; K635-E638 HydrophobicContact CB-CG 4.02Å; K635-E638 WeakPolarHBondContact CB-OE2 3.4Å
636	E	87.9	Confident	90.1	Very high	92 Å²	92	56.5 Å²	56.5	43%	0.43	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.2	-177	-68.9	-165.3	-126.7	0	0	110.5	P593 L625 E638	P593-E636 WeakPolarHBondContact CB-OE1 3.4Å; P593-E636 HydrophobicContact CG-CG 4.44Å; P593-E636 VanDerWaalsContact CG-OE1 3.31Å; P593-E636 WeakPolarHBondContact CG-OE1 3.46Å; L625-E636 HydrophobicContact CD2-CG 3.79Å; E636-E638 PolarHBondContact O-N 2.7Å
637	D	81.6	Confident	89.6	Confident	104 Å²	104	57.4 Å²	57.4	56%	0.556	28%	0.282	S	S	*	.	S	Bend	trans	51.6	14.5	179.4	-64.4	-45.7	0	0	0	115.8	Y639 R641	D637-Y639 PolarHBondContact O-N 3.47Å; D637-Y639 VanDerWaalsContact O-N 3.17Å; D637-R641 IonicContact OD1-CZ 2.72Å; D637-R641 IonicContact OD1-NE 3.51Å; D637-R641 PolarHBondContact OD1-NE 3Å; D637-R641 IonicContact OD1-NH2 3.56Å; D637-R641 PolarHBondContact OD1-NH2 3.26Å; D637-R641 IonicContact OD2-NH2 2.69Å
638	E	84.9	Confident	88.9	Confident	74 Å²	74	58.7 Å²	58.7	35%	0.346	30%	0.295	S	S	.	.	S	Bend	trans	-61.3	-20.9	171.9	-76.8	-163.2	115.9	0	0	113.2	K358 T626 K635 E636	K358-E638 WeakPolarHBondContact CD-O 3.18Å; K358-E638 WeakPolarHBondContact CE-O 3.48Å; K358-E638 PolarHBondContact NZ-O 2.89Å; T626-E638 WeakPolarHBondContact CB-OE2 3.39Å; T626-E638 PolarHBondContact OG1-OE2 3.12Å; K635-E638 HydrophobicContact CB-CG 4.02Å; K635-E638 WeakPolarHBondContact CB-OE2 3.4Å; E636-E638 PolarHBondContact O-N 2.7Å
639	Y	87.3	Confident	88.5	Confident	18 Å²	18	57.7 Å²	57.7	7%	0.071	29%	0.29	C	S	.	.	S	Bend	trans	-131.8	150.8	-176.3	-71.7	-96	0	0	0	110.1	L354 K358 L604 M609 T626 D637	L354-Y639 HydrophobicContact CD2-CD1 3.83Å; L354-Y639 HydrophobicContact CD2-CE1 4.35Å; K358-Y639 HydrophobicContact CB-CD1 4.29Å; K358-Y639 HydrophobicContact CD-CD1 3.45Å; K358-Y639 VanDerWaalsContact CD-CD1 3.45Å; K358-Y639 HydrophobicContact CD-CD2 4.5Å; K358-Y639 HydrophobicContact CD-CE1 3.63Å; K358-Y639 HydrophobicContact CD-CG 3.93Å; K358-Y639 VanDerWaalsContact CE-CE1 3.41Å; K358-Y639 HydrophobicContact CG-CD1 3.86Å; K358-Y639 HydrophobicContact CG-CE1 3.97Å; K358-Y639 VanDerWaalsContact NZ-CZ 3.26Å; L604-Y639 HydrophobicContact CD2-CE1 4.12Å; M609-Y639 HydrophobicContact CE-CD1 3.89Å; M609-Y639 HydrophobicContact CE-CD2 3.98Å; M609-Y639 HydrophobicContact CE-CE1 3.94Å; M609-Y639 HydrophobicContact CE-CE2 4.05Å; M609-Y639 HydrophobicContact CE-CG 3.91Å; T626-Y639 HydrophobicContact CG2-CD2 4.02Å; T626-Y639 HydrophobicContact CG2-CE2 3.71Å; D637-Y639 PolarHBondContact O-N 3.47Å; D637-Y639 VanDerWaalsContact O-N 3.17Å
640	P	89.2	Confident	88.2	Confident	44 Å²	44	57.5 Å²	57.5	29%	0.286	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-61.8	140.2	177.3	30.3	-39.1	0	0	0	110.8	L354 K358 W360 I624	L354-P640 HydrophobicContact CD1-CG 3.91Å; K358-P640 HydrophobicContact CB-CG 4.41Å; K358-P640 WeakPolarHBondContact O-CG 3.33Å; W360-P640 PolarHBondContact NE1-O 2.59Å; I624-P640 WeakPolarHBondContact CD1-O 3.28Å
641	R	90.1	Very high	88.1	Confident	119 Å²	119	51.8 Å²	51.8	45%	0.449	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-55.3	146.3	170.6	-71.5	171	-175.5	-92.7	-10.9	110.8	W360 D622 D637	W360-R641 PolarHBondContact NE1-O 2.7Å; D622-R641 HydrophobicContact CB-CB 4.18Å; D622-R641 CarbonylContact O-C 3.52Å; D622-R641 WeakPolarHBondContact O-CA 3.35Å; D622-R641 WeakPolarHBondContact OD1-CD 3.04Å; D622-R641 IonicContact OD1-CZ 3.47Å; D622-R641 IonicContact OD1-NH1 2.71Å; D622-R641 PolarHBondContact OD1-NH1 3.33Å; D637-R641 IonicContact OD1-CZ 2.72Å; D637-R641 IonicContact OD1-NE 3.51Å; D637-R641 PolarHBondContact OD1-NE 3Å; D637-R641 IonicContact OD1-NH2 3.56Å; D637-R641 PolarHBondContact OD1-NH2 3.26Å; D637-R641 IonicContact OD2-NH2 2.69Å
642	M	89.6	Confident	88	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.039	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-60	148.8	177.3	-59.3	-167.4	-51.7	0	0	110.5	W360 L611 G612 S621 D622 I624 C644 L646 L649	W360-M642 HydrophobicContact CH2-CG 4.39Å; W360-M642 HydrophobicContact CZ2-CG 3.74Å; L611-M642 HydrophobicContact CB-SD 4.08Å; L611-M642 HydrophobicContact CD2-SD 4.42Å; G612-M642 VanDerWaalsContact CA-CE 3.46Å; S621-M642 WeakPolarHBondContact O-CE 3.41Å; D622-M642 PolarHBondContact O-N 2.71Å; I624-M642 HydrophobicContact CG1-CG 4.42Å; M642-C644 WeakPolarHBondContact CB-O 3.47Å; M642-C644 PolarHBondContact O-N 2.8Å; M642-C644 VanDerWaalsContact O-N 3.08Å; M642-L646 HydrophobicContact CE-CB 4.12Å; M642-L649 HydrophobicContact CE-CD1 4.06Å; M642-L649 HydrophobicContact SD-CD1 4.47Å
643	P	86.7	Confident	87.8	Confident	61 Å²	61	47 Å²	47	40%	0.396	24%	0.238	S	C	.	.	S	Bend	trans	-59.2	-22.4	178.8	-23.9	34.3	0	0	0	114.1	W360 C667	W360-P643 HydrophobicContact CB-CG 3.62Å; W360-P643 HydrophobicContact CD2-CG 4.45Å; W360-P643 HydrophobicContact CG-CG 3.94Å; P643-C667 HydrophobicContact CB-CB 3.9Å; P643-C667 HydrophobicContact CG-CB 3.62Å; P643-C667 WeakPolarHBondContact CG-SG 3.33Å
644	C	83.1	Confident	87.6	Confident	32 Å²	32	42.1 Å²	42.1	22%	0.216	22%	0.217	C	C	.	.	S	Bend	trans	-144	155.5	179.9	48.1	0	0	0	0	110.4	I342 M642 L646	I342-C644 HydrophobicContact CD1-CB 4.43Å; M642-C644 WeakPolarHBondContact CB-O 3.47Å; M642-C644 PolarHBondContact O-N 2.8Å; M642-C644 VanDerWaalsContact O-N 3.08Å; C644-L646 HydrophobicContact CB-CD2 4.42Å; C644-L646 HydrophobicContact CB-CG 4.43Å
645	K	86.6	Confident	87.6	Confident	113 Å²	113	43.3 Å²	43.3	49%	0.491	22%	0.224	S	C	.	.			trans	-85.5	120.3	176.8	-68	172.2	172.1	-178.5	0	108.4	I342 Y620 S621 D622	I342-K645 WeakPolarHBondContact CG1-O 3.33Å; Y620-K645 WeakPolarHBondContact O-CD 3.21Å; S621-K645 WeakPolarHBondContact O-CA 3.3Å; D622-K645 HydrophobicContact CB-CG 3.8Å; D622-K645 WeakPolarHBondContact OD2-CE 3.07Å; D622-K645 IonicContact OD2-NZ 2.68Å
646	L	82.6	Confident	87.5	Confident	4 Å²	4	41 Å²	41	2%	0.021	21%	0.214	C	C	.	.			trans	-138	145.5	-167.8	-64.8	179.7	0	0	0	112.2	M341 I342 V347 L352 G613 S621 M642 C644 L649	M341-L646 WeakPolarHBondContact O-CA 3.35Å; M341-L646 WeakPolarHBondContact O-CD2 3.28Å; I342-L646 HydrophobicContact CG1-CD2 4.11Å; V347-L646 HydrophobicContact CB-CD2 4.37Å; V347-L646 HydrophobicContact CG2-CD2 3.75Å; L352-L646 HydrophobicContact CD1-CD1 3.98Å; G613-L646 WeakPolarHBondContact CA-O 3.3Å; G613-L646 PolarHBondContact N-O 3.21Å; S621-L646 PolarHBondContact O-N 2.72Å; M642-L646 HydrophobicContact CE-CB 4.12Å; C644-L646 HydrophobicContact CB-CD2 4.42Å; C644-L646 HydrophobicContact CB-CG 4.43Å; L646-L649 HydrophobicContact CB-CD1 4.18Å; L646-L649 HydrophobicContact CB-CD2 3.64Å; L646-L649 HydrophobicContact CB-CG 4.03Å; L646-L649 HydrophobicContact CD1-CD2 3.86Å; L646-L649 HydrophobicContact CG-CD2 4.43Å; L646-L649 WeakPolarHBondContact O-CD1 3.35Å
647	D	82.6	Confident	87.6	Confident	20 Å²	20	36.8 Å²	36.8	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-177.3	161.9	74.1	-37.8	0	0	0	111.2	G340 M341 G598 L614 Y620 L649	G340-D647 CarbonylContact C-O 3.59Å; G340-D647 WeakPolarHBondContact CA-O 3.28Å; M341-D647 WeakPolarHBondContact CE-OD1 3.42Å; M341-D647 WeakPolarHBondContact CE-OD2 3.47Å; M341-D647 PolarHBondContact N-O 2.78Å; G598-D647 CarbonylContact O-C 3.55Å; G598-D647 WeakPolarHBondContact O-CA 3.49Å; L614-D647 HydrophobicContact CB-CB 4.5Å; Y620-D647 HydrophobicContact CD1-CB 4.01Å; Y620-D647 HydrophobicContact CE1-CB 4.28Å; Y620-D647 WeakPolarHBondContact CE1-OD1 3.35Å; D647-L649 PolarHBondContact O-N 3.05Å
648	G	81.1	Confident	87.9	Confident	27 Å²	27	36 Å²	36	28%	0.278	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	66	25.7	-169	0	0	0	0	0	112.7	G598 Q650	G598-G648 PolarHBondContact O-N 2.68Å; G648-Q650 PolarHBondContact O-N 2.81Å
649	L	85.5	Confident	88.1	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.9	-162.2	-79.1	169.1	0	0	0	113.4	V337 R339 G598 L611 M642 L646 D647 V651	V337-L649 HydrophobicContact CG1-CD2 3.5Å; R339-L649 WeakPolarHBondContact O-CD2 3.18Å; G598-L649 PolarHBondContact O-N 3.33Å; L611-L649 WeakPolarHBondContact O-CD1 3.32Å; M642-L649 HydrophobicContact CE-CD1 4.06Å; M642-L649 HydrophobicContact SD-CD1 4.47Å; L646-L649 HydrophobicContact CB-CD1 4.18Å; L646-L649 HydrophobicContact CB-CD2 3.64Å; L646-L649 HydrophobicContact CB-CG 4.03Å; L646-L649 HydrophobicContact CD1-CD2 3.86Å; L646-L649 HydrophobicContact CG-CD2 4.43Å; L646-L649 WeakPolarHBondContact O-CD1 3.35Å; D647-L649 PolarHBondContact O-N 3.05Å; L649-V651 HydrophobicContact CB-CG2 4.34Å
650	Q	88.1	Confident	88	Confident	15 Å²	15	34.9 Å²	34.9	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117	170.4	-56.7	-56.9	-33.9	0	0	109.5	F338 P372 D373 L375 G648	F338-Q650 PolarHBondContact N-O 3.02Å; P372-Q650 WeakPolarHBondContact O-CG 3.35Å; P372-Q650 PolarHBondContact O-NE2 3.43Å; D373-Q650 PolarHBondContact O-NE2 3.37Å; L375-Q650 HydrophobicContact CB-CB 4.03Å; L375-Q650 HydrophobicContact CB-CG 4.39Å; L375-Q650 HydrophobicContact CD2-CB 4.04Å; G648-Q650 PolarHBondContact O-N 2.81Å
651	V	90.4	Very high	87.8	Confident	15 Å²	15	33.1 Å²	33.1	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.6	-172.3	-168.7	0	0	0	0	110.3	T335 A336 V337 A602 L611 L649	T335-V651 HydrophobicContact CG2-CG1 3.49Å; T335-V651 VanDerWaalsContact CG2-CG1 3.49Å; A336-V651 WeakPolarHBondContact O-CA 3.47Å; V337-V651 HydrophobicContact CB-CG2 4.37Å; V337-V651 HydrophobicContact CG1-CG2 4.18Å; V337-V651 HydrophobicContact CG2-CG1 4.11Å; V337-V651 HydrophobicContact CG2-CG2 3.96Å; A602-V651 HydrophobicContact CB-CG1 3.96Å; L611-V651 HydrophobicContact CD1-CG1 4.21Å; L611-V651 HydrophobicContact CD2-CG1 4.37Å; L649-V651 HydrophobicContact CB-CG2 4.34Å
652	C	91.3	Very high	87.1	Confident	11 Å²	11	33 Å²	33	7%	0.074	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	177.2	175.8	62.5	0	0	0	0	110.8	T335 A336 F338 L375 I377	T335-C652 CarbonylContact C-O 3.6Å; T335-C652 WeakPolarHBondContact CA-O 3.28Å; A336-C652 PolarHBondContact N-O 2.61Å; A336-C652 PolarHBondContact O-N 2.56Å; F338-C652 VanDerWaalsContact CE2-SG 3.59Å; L375-C652 HydrophobicContact CD2-CB 3.87Å; I377-C652 HydrophobicContact CD1-CB 3.75Å; I377-C652 HydrophobicContact CG1-CB 3.86Å
653	S	91.4	Very high	86	Confident	40 Å²	40	40.4 Å²	40.4	28%	0.28	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.5	173.5	-53.7	0	0	0	0	108.8	Q334 V603	Q334-S653 WeakPolarHBondContact O-CA 3.24Å; V603-S653 PolarHBondContact O-OG 3.12Å; V603-S653 VanDerWaalsContact O-OG 3.05Å
654	L	92.3	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.9	-178.5	-70.7	178.1	0	0	0	112	P333 Q334 A336 F338 I377 N380 A382 F656	P333-L654 CarbonylContact C-O 3.36Å; P333-L654 WeakPolarHBondContact CA-O 3.33Å; Q334-L654 PolarHBondContact N-O 2.83Å; Q334-L654 PolarHBondContact O-N 3.34Å; A336-L654 HydrophobicContact CB-CD1 4.47Å; F338-L654 HydrophobicContact CE2-CD1 3.64Å; F338-L654 HydrophobicContact CZ-CD1 3.64Å; I377-L654 HydrophobicContact CD1-CD2 4.42Å; I377-L654 HydrophobicContact CG2-CD2 4.17Å; N380-L654 HydrophobicContact CB-CD2 4.46Å; A382-L654 HydrophobicContact CB-CD1 4.19Å; L654-F656 HydrophobicContact CB-CD2 4.31Å; L654-F656 HydrophobicContact CB-CE2 3.69Å; L654-F656 HydrophobicContact CB-CZ 4.22Å; L654-F656 HydrophobicContact CD1-CZ 4.31Å; L654-F656 WeakPolarHBondContact O-CD2 3.14Å
655	H	93.2	Very high	85.2	Confident	60 Å²	60	45.2 Å²	45.2	28%	0.278	22%	0.217	S	C	.	.			trans	-76.8	136.2	164.1	-70.3	-90.3	0	0	0	110.7	I328 S330 N380	I328-H655 HydrophobicContact CB-CB 4.42Å; I328-H655 HydrophobicContact CD1-CB 4.34Å; I328-H655 WeakPolarHBondContact CD1-O 3.39Å; I328-H655 HydrophobicContact CG2-CB 4.5Å; S330-H655 WeakPolarHBondContact CB-ND1 3.5Å; S330-H655 PolarHBondContact O-CE1 3.39Å; S330-H655 PolarHBondContact O-ND1 3.16Å; S330-H655 VanDerWaalsContact O-ND1 3.09Å; S330-H655 PolarHBondContact OG-ND1 3.42Å; N380-H655 PolarHBondContact ND2-O 3.42Å; N380-H655 WeakPolarHBondContact OD1-CB 3.33Å; N380-H655 PolarHBondContact OD1-N 2.92Å
656	F	91.4	Very high	84.7	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	23%	0.225	C	C	.	.			trans	-125.8	142.4	172.3	-67.4	-96.6	0	0	0	108.5	S330 Q334 A336 L353 L363 Y405 P407 L654 L661	S330-F656 WeakPolarHBondContact CB-O 3.28Å; S330-F656 PolarHBondContact OG-O 2.98Å; S330-F656 VanDerWaalsContact OG-O 3.11Å; Q334-F656 HydrophobicContact CB-CD2 4.33Å; Q334-F656 HydrophobicContact CG-CD2 4.49Å; A336-F656 HydrophobicContact CB-CE2 4.22Å; A336-F656 HydrophobicContact CB-CZ 4.26Å; L353-F656 HydrophobicContact CD2-CD2 4.43Å; L353-F656 HydrophobicContact CD2-CE1 4.43Å; L353-F656 HydrophobicContact CD2-CE2 3.6Å; L353-F656 HydrophobicContact CD2-CZ 3.61Å; L363-F656 HydrophobicContact CD2-CD1 4.38Å; L363-F656 HydrophobicContact CD2-CE1 3.9Å; Y405-F656 AromaticContact CE1-CE1 3.91Å; Y405-F656 HydrophobicContact CE1-CE1 3.91Å; Y405-F656 HydrophobicContact CE1-CZ 4.34Å; P407-F656 HydrophobicContact CB-CD1 3.53Å; P407-F656 HydrophobicContact CB-CE1 3.58Å; P407-F656 HydrophobicContact CB-CG 4.18Å; P407-F656 HydrophobicContact CB-CZ 4.25Å; L654-F656 HydrophobicContact CB-CD2 4.31Å; L654-F656 HydrophobicContact CB-CE2 3.69Å; L654-F656 HydrophobicContact CB-CZ 4.22Å; L654-F656 HydrophobicContact CD1-CZ 4.31Å; L654-F656 WeakPolarHBondContact O-CD2 3.14Å; F656-L661 HydrophobicContact CB-CD1 3.94Å; F656-L661 HydrophobicContact CB-CD2 4.15Å; F656-L661 HydrophobicContact CB-CG 4.14Å; F656-L661 HydrophobicContact CD1-CD2 4.35Å; F656-L661 HydrophobicContact CG-CD2 4.29Å
657	P	90.5	Very high	84.1	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.013	23%	0.233	C	C	.	.			trans	-69.1	146.2	162.2	0.2	15.4	0	0	0	109.4	I328 P407 R408 Y659 V660	I328-P657 HydrophobicContact CG2-CB 4.27Å; I328-P657 HydrophobicContact CG2-CG 3.85Å; P407-P657 VanDerWaalsContact O-CD 3.3Å; P407-P657 WeakPolarHBondContact O-CD 3.39Å; R408-P657 HydrophobicContact CB-CG 4.43Å; R408-P657 HydrophobicContact CG-CG 4.47Å; P657-Y659 HydrophobicContact CB-CD1 3.69Å; P657-Y659 HydrophobicContact CB-CE1 3.25Å; P657-Y659 HydrophobicContact CB-CE2 4.24Å; P657-Y659 HydrophobicContact CB-CG 4.33Å; P657-Y659 HydrophobicContact CG-CE1 4.01Å; P657-Y659 HydrophobicContact CG-CE2 4.42Å; P657-V660 HydrophobicContact CB-CG2 4.05Å; P657-V660 HydrophobicContact CG-CG2 3.66Å; P657-V660 WeakPolarHBondContact O-CB 3.45Å; P657-V660 PolarHBondContact O-N 2.97Å
658	E	89	Confident	82.7	Confident	88 Å²	88	57.6 Å²	57.6	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-79.2	-27.2	-173.7	-175.7	175.2	-168.7	0	0	112.5	S243 R244 V660 L661 E662	S243-E658 WeakPolarHBondContact O-CB 3.44Å; S243-E658 PolarHBondContact O-N 2.86Å; S243-E658 PolarHBondContact OG-OE2 3.19Å; R244-E658 HydrophobicContact CB-CG 4.4Å; E658-V660 PolarHBondContact O-N 3.26Å; E658-L661 CarbonylContact O-C 3.59Å; E658-L661 WeakPolarHBondContact O-CA 3.26Å; E658-L661 WeakPolarHBondContact O-CB 3.45Å; E658-L661 PolarHBondContact O-N 3.37Å; E658-E662 PolarHBondContact O-N 3.18Å; E658-E662 VanDerWaalsContact O-N 3.14Å
659	Y	87.4	Confident	82.8	Confident	50 Å²	50	59.1 Å²	59.1	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-29	168.7	65.6	-100.7	0	0	0	113.1	S243 R244 P246 P657 L661	S243-Y659 PolarHBondContact O-N 3.48Å; R244-Y659 WeakPolarHBondContact O-CB 3.4Å; P246-Y659 HydrophobicContact CG-CD1 4.28Å; P246-Y659 HydrophobicContact CG-CD2 4.24Å; P246-Y659 HydrophobicContact CG-CG 3.97Å; P657-Y659 HydrophobicContact CB-CD1 3.69Å; P657-Y659 HydrophobicContact CB-CE1 3.25Å; P657-Y659 HydrophobicContact CB-CE2 4.24Å; P657-Y659 HydrophobicContact CB-CG 4.33Å; P657-Y659 HydrophobicContact CG-CE1 4.01Å; P657-Y659 HydrophobicContact CG-CE2 4.42Å; Y659-L661 VanDerWaalsContact C-N 3.26Å
660	V	86.3	Confident	82.7	Confident	18 Å²	18	62.1 Å²	62.1	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-71.4	-28.2	172.9	-176.6	0	0	0	0	110.6	R408 N410 P657 E658	R408-V660 WeakPolarHBondContact O-CG2 3.21Å; N410-V660 HydrophobicContact CB-CG1 3.85Å; P657-V660 HydrophobicContact CB-CG2 4.05Å; P657-V660 HydrophobicContact CG-CG2 3.66Å; P657-V660 WeakPolarHBondContact O-CB 3.45Å; P657-V660 PolarHBondContact O-N 2.97Å; E658-V660 PolarHBondContact O-N 3.26Å
661	L	85	Confident	82.4	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-86.8	-12	-177.1	-58.8	173.4	0	0	0	113.7	L353 F656 E658 Y659 H663 V664	L353-L661 HydrophobicContact CD1-CD2 3.51Å; F656-L661 HydrophobicContact CB-CD1 3.94Å; F656-L661 HydrophobicContact CB-CD2 4.15Å; F656-L661 HydrophobicContact CB-CG 4.14Å; F656-L661 HydrophobicContact CD1-CD2 4.35Å; F656-L661 HydrophobicContact CG-CD2 4.29Å; E658-L661 CarbonylContact O-C 3.59Å; E658-L661 WeakPolarHBondContact O-CA 3.26Å; E658-L661 WeakPolarHBondContact O-CB 3.45Å; E658-L661 PolarHBondContact O-N 3.37Å; Y659-L661 VanDerWaalsContact C-N 3.26Å; L661-H663 PolarHBondContact O-N 2.99Å; L661-H663 VanDerWaalsContact O-N 3.12Å; L661-V664 HydrophobicContact CB-CG2 4.3Å; L661-V664 HydrophobicContact CD2-CG2 3.92Å; L661-V664 WeakPolarHBondContact O-CB 3.48Å; L661-V664 WeakPolarHBondContact O-CG2 3.46Å; L661-V664 PolarHBondContact O-N 2.81Å
662	E	74.2	Confident	81.9	Confident	116 Å²	116	67.6 Å²	67.6	54%	0.542	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.4	178.8	-69.9	-163.1	145.1	0	0	113.7	R244 E658	R244-E662 IonicContact CZ-OE1 3.39Å; R244-E662 IonicContact NE-OE1 3.52Å; R244-E662 PolarHBondContact NE-OE1 3.1Å; R244-E662 IonicContact NH2-OE1 2.74Å; E658-E662 PolarHBondContact O-N 3.18Å; E658-E662 VanDerWaalsContact O-N 3.14Å
663	H	68.3	Low	81.3	Confident	165 Å²	165	71.2 Å²	71.2	76%	0.764	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7	176.2	-68	80.9	0	0	0	113.8	L661	L661-H663 PolarHBondContact O-N 2.99Å; L661-H663 VanDerWaalsContact O-N 3.12Å
664	V	75.9	Confident	80.7	Confident	16 Å²	16	73.3 Å²	73.3	10%	0.097	36%	0.355	C	S	.	.			trans	-78.3	144	-174.6	179	0	0	0	0	110.6	W361 E362 L363 L661	W361-V664 HydrophobicContact CB-CG1 3.68Å; W361-V664 HydrophobicContact CD2-CG1 4.15Å; W361-V664 HydrophobicContact CE3-CB 3.75Å; W361-V664 HydrophobicContact CE3-CG1 3.48Å; W361-V664 VanDerWaalsContact CE3-CG1 3.48Å; W361-V664 HydrophobicContact CG-CG1 4.29Å; W361-V664 HydrophobicContact CZ3-CB 4.24Å; W361-V664 HydrophobicContact CZ3-CG1 4.43Å; E362-V664 WeakPolarHBondContact O-CG1 3.42Å; L363-V664 HydrophobicContact CB-CG2 3.89Å; L363-V664 HydrophobicContact CD1-CG2 3.47Å; L363-V664 VanDerWaalsContact CD1-CG2 3.47Å; L363-V664 HydrophobicContact CG-CG2 4.23Å; L661-V664 HydrophobicContact CB-CG2 4.3Å; L661-V664 HydrophobicContact CD2-CG2 3.92Å; L661-V664 WeakPolarHBondContact O-CB 3.48Å; L661-V664 WeakPolarHBondContact O-CG2 3.46Å; L661-V664 PolarHBondContact O-N 2.81Å
665	R	75.3	Confident	79.8	Confident	177 Å²	177	78.5 Å²	78.5	67%	0.668	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.1	-179.7	-62.6	-179	-173.6	164.7	6.7	110.1	W361 E362 C667	W361-R665 CarbonylContact C-O 3.53Å; W361-R665 WeakPolarHBondContact CA-O 3.43Å; E362-R665 PolarHBondContact N-O 2.86Å; E362-R665 PolarHBondContact O-N 3.17Å; R665-C667 PolarHBondContact O-N 2.79Å
666	R	76.9	Confident	78.8	Confident	178 Å²	178	79.9 Å²	79.9	67%	0.672	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	132.4	164.8	173.9	175.8	174.7	163.9	2.9	108.9	V359	V359-R666 HydrophobicContact CG1-CG 3.84Å
667	C	69.6	Low	77.7	Confident	28 Å²	28	86.3 Å²	86.3	19%	0.189	42%	0.419	C	S	.	.			trans	-67.2	138.3	174.8	-53.6	0	0	0	0	110.5	W360 P643 R665	W360-C667 HydrophobicContact CB-CB 4.28Å; W360-C667 PolarHBondContact O-N 2.7Å; P643-C667 HydrophobicContact CB-CB 3.9Å; P643-C667 HydrophobicContact CG-CB 3.62Å; P643-C667 WeakPolarHBondContact CG-SG 3.33Å; R665-C667 PolarHBondContact O-N 2.79Å
668	S	54.7	Low	76.6	Confident	191 Å²	191	94 Å²	94	100%	1.336	46%	0.456	S	S	*	.			trans	-80.8	0	-176.3	60.3	0	0	0	0	113.1

Retrieved 668 of 668 residues in 440.7 ms (Link to these results)

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