A0A087YFM3_POEFO Loading...

Transmembrane protein 63B

AlphaFold DB , UniProt , Accession A0A087YFM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 830 aa.

						>A0A087YFM3_POEFO|A0A087YFM3
MITMGSSLGPQCNNGSCSTNSSKEFCYSGRIRSTVLQGLPFGGVPTVLALDFMCFLLLLFLFSVLRKRAWDYGRLALVADADRKRERDQRYSRLDDREYVNSPLPEPNERYARLTSVSSSMDMDPRDTGFCSWLTAVFRIKEEEIRDKCGEDAVHYLSFQRHIIGLLVVVGVLSVGIILPVNFSGNLLDDTAYSFPRTTIGNLDTENKLLWLHTSFAFLYLLLTVYSMRRHTSKMRYREDDLVKRTLFVNGISQYAEEREIKQHFELAYENCIVLDARICYDVSKLMYLSSERKKAERNKKFFLDLQDKEHEKTMINPKPCGHLCCCIIKGCEQEEAVSYYTKLEVQLRDEYRKEREKINKKPLGMAFVTFQNETTTAKILKDFNACKCKGCSCHREPKSSQFSNRLHTSNWTVTYAPDPQNVYWEHLSVGGIKWWARCFIINCVLFLLLFFLTTPAIIITTMDKFNVTKPVEYLNNPIVTQFFPTLLLWSFSALLPTIVYYSAFFEAHWTRSGENRTTMHKCYTFLIFMVLLLPSLGLSSLDVFFRWLFDKSFLDEATVRFECVFLPDNGAFFVNYVIASAFIGNANDLLRIPGLLMYMIRLSLARSAAERRNVKKHQAYEFQFGAAYAWMMCVFTVVMTYSITCPIIVPFGLMYMLLKHLADRYNMYYAYLPTKLDKKIHYGAVNQVVAAPILCLFWLLFFSTVRSGFTASTSMFTFVVLIITIVICLSHVCFGHFKYLSAHNYKTDQDEVDVMEGGRSASPSSAAKTTQTYICQVLQDPSSEEAGSGNGEDDGQGSSQDEEMIQAGNNMTGDFQSGEASLIENEVRQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	26.2	Very low	242 Å²	242	142.3 Å²	142.3	100%	1.192	85%	0.847	S	S	*	*				0	79.6	0	-163.7	-179.8	-148.3	0	0	108.3
2	I	23.8	Very low	26.4	Very low	171 Å²	171	138.9 Å²	138.9	88%	0.877	83%	0.834	S	S	*	*			trans	-145.4	124.8	163	-60.4	-175.9	0	0	0	105.3
3	T	23.3	Very low	26.7	Very low	136 Å²	136	139.6 Å²	139.6	83%	0.834	83%	0.83	S	S	*	*			trans	-71.2	132.1	-166.2	28.1	0	0	0	0	113	G5	T3-G5 PolarHBondContact O-N 2.93Å
4	M	24.9	Very low	27.1	Very low	190 Å²	190	140.9 Å²	140.9	94%	0.936	83%	0.831	S	S	*	*			trans	-75	117.6	164.5	-73.3	-154.6	-178.1	0	0	109.4
5	G	23.9	Very low	27.7	Very low	80 Å²	80	137.1 Å²	137.1	83%	0.825	83%	0.834	S	S	*	*			trans	-84.9	105.6	164.7	0	0	0	0	0	109.5	T3 S7	T3-G5 PolarHBondContact O-N 2.93Å; G5-S7 PolarHBondContact O-N 2.99Å
6	S	23.8	Very low	27.9	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	83%	0.829	S	S	*	*			trans	-70.5	110.2	169.5	36.7	0	0	0	0	110.3	L8	S6-L8 PolarHBondContact O-N 2.99Å
7	S	25.2	Very low	28	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	83%	0.825	S	S	*	*			trans	-76.1	112.4	162.3	57.4	0	0	0	0	108.5	G5 G9	G5-S7 PolarHBondContact O-N 2.99Å; S7-G9 PolarHBondContact O-N 3.37Å
8	L	26.1	Very low	28.2	Very low	159 Å²	159	130.7 Å²	130.7	83%	0.832	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-51.6	121.6	175.5	-73.5	119.7	0	0	0	111.5	S6	S6-L8 PolarHBondContact O-N 2.99Å
9	G	27.3	Very low	28.8	Very low	55 Å²	55	130.2 Å²	130.2	57%	0.567	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.8	156.5	156.3	0	0	0	0	0	110.2	S7 Q11	S7-G9 PolarHBondContact O-N 3.37Å; G9-Q11 PolarHBondContact O-N 3.32Å
10	P	27.7	Very low	29.2	Very low	132 Å²	132	128.8 Å²	128.8	86%	0.857	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-67.4	126.4	178.3	27.3	-29.9	0	0	0	109.8
11	Q	26.3	Very low	29.5	Very low	174 Å²	174	126.6 Å²	126.6	81%	0.813	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-72.5	121.7	171.1	-77.5	-178.5	-21.6	0	0	109.8	G9	G9-Q11 PolarHBondContact O-N 3.32Å
12	C	28.3	Very low	29.8	Very low	102 Å²	102	118.1 Å²	118.1	69%	0.689	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-80	117	164.8	-73.1	0	0	0	0	109.3
13	N	29.4	Very low	30.8	Very low	148 Å²	148	115.8 Å²	115.8	79%	0.791	73%	0.73	S	S	*	*			trans	-111.5	124.7	165.4	-113.6	-3	0	0	0	109.1
14	N	33.5	Very low	31.7	Very low	158 Å²	158	116.2 Å²	116.2	85%	0.845	72%	0.722	S	S	*	*	S	Bend	trans	40	101.3	167.6	-74.1	-10.6	0	0	0	118.7
15	G	35	Very low	32.7	Very low	84 Å²	84	112.8 Å²	112.8	87%	0.866	70%	0.702	S	S	*	*	S	Bend	trans	72.1	41.4	134.1	0	0	0	0	0	118.1
16	S	31.5	Very low	33.9	Very low	108 Å²	108	110 Å²	110	76%	0.755	67%	0.67	S	S	*	*			trans	-178.1	85.1	149.1	46.1	0	0	0	0	110.7	S18	S16-S18 PolarHBondContact O-N 3.23Å; S16-S18 VanDerWaalsContact O-N 3.09Å
17	C	30.2	Very low	34.6	Very low	114 Å²	114	109.7 Å²	109.7	77%	0.77	65%	0.653	S	S	*	*			trans	-71.8	103.4	163.2	-87.9	0	0	0	0	108.1
18	S	31.1	Very low	35	Very low	74 Å²	74	108.4 Å²	108.4	52%	0.517	64%	0.643	S	S	.	*			trans	-70.5	145.4	175.6	55.6	0	0	0	0	111.1	S16 N20 S21	S16-S18 PolarHBondContact O-N 3.23Å; S16-S18 VanDerWaalsContact O-N 3.09Å; S18-N20 PolarHBondContact O-N 3.29Å; S18-S21 PolarHBondContact O-N 3.4Å
19	T	39.1	Very low	35.6	Very low	121 Å²	121	104.3 Å²	104.3	74%	0.742	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-4.2	171.7	27.7	0	0	0	0	115.3
20	N	36.4	Very low	36.1	Very low	101 Å²	101	105.4 Å²	105.4	54%	0.54	63%	0.627	S	S	.	*	H	α-helix	trans	-72.9	-28.6	177	-84.8	-7.7	0	0	0	113.7	S18 S22 K23 E24	S18-N20 PolarHBondContact O-N 3.29Å; N20-S22 PolarHBondContact O-N 3.09Å; N20-K23 PolarHBondContact O-N 3.33Å; N20-E24 PolarHBondContact O-N 2.9Å; N20-E24 VanDerWaalsContact O-N 3.1Å
21	S	36.5	Very low	36.4	Very low	84 Å²	84	104 Å²	104	59%	0.587	61%	0.611	S	S	*	*	H	α-helix	trans	-67.6	-37.1	-178.2	-179	0	0	0	0	113	S18 F25	S18-S21 PolarHBondContact O-N 3.4Å; S21-F25 WeakPolarHBondContact O-CB 3.23Å; S21-F25 PolarHBondContact O-N 2.99Å
22	S	43.3	Very low	36.7	Very low	63 Å²	63	107.5 Å²	107.5	44%	0.441	62%	0.617	S	S	.	*	H	α-helix	trans	-70.8	-36.1	177.3	-50.7	0	0	0	0	112.5	N20 F25 C26	N20-S22 PolarHBondContact O-N 3.09Å; S22-F25 PolarHBondContact O-N 3.45Å; S22-C26 PolarHBondContact O-N 2.93Å; S22-C26 VanDerWaalsContact O-N 3.07Å
23	K	44	Very low	37	Very low	123 Å²	123	107.3 Å²	107.3	54%	0.535	62%	0.616	S	S	.	*	H	α-helix	trans	-63.9	-49.5	174.5	-74.3	-176.9	178.3	178.2	0	110.7	N20 F25 C26 Y27	N20-K23 PolarHBondContact O-N 3.33Å; K23-F25 VanDerWaalsContact C-N 3.29Å; K23-F25 PolarHBondContact O-N 3.11Å; K23-C26 PolarHBondContact O-N 3.38Å; K23-Y27 WeakPolarHBondContact O-CD2 3.47Å; K23-Y27 PolarHBondContact O-N 3.41Å; K23-Y27 VanDerWaalsContact O-N 3.1Å
24	E	41.3	Very low	37.5	Very low	144 Å²	144	103.9 Å²	103.9	67%	0.673	60%	0.601	S	S	*	*	H	α-helix	trans	-61.1	-36	176.7	-78.1	-173.7	162	0	0	112.7	N20 Y27 S28	N20-E24 PolarHBondContact O-N 2.9Å; N20-E24 VanDerWaalsContact O-N 3.1Å; E24-Y27 PolarHBondContact O-N 3.1Å; E24-S28 WeakPolarHBondContact O-CB 3.11Å; E24-S28 PolarHBondContact O-N 3.25Å
25	F	47.3	Very low	37.7	Very low	119 Å²	119	102.3 Å²	102.3	52%	0.522	60%	0.597	S	S	.	*	H	α-helix	trans	-65.2	-42.5	175.9	-170.4	-99.4	0	0	0	112.8	S21 S22 K23 G29	S21-F25 WeakPolarHBondContact O-CB 3.23Å; S21-F25 PolarHBondContact O-N 2.99Å; S22-F25 PolarHBondContact O-N 3.45Å; K23-F25 VanDerWaalsContact C-N 3.29Å; K23-F25 PolarHBondContact O-N 3.11Å; F25-G29 PolarHBondContact O-N 3.03Å; F25-G29 VanDerWaalsContact O-N 3.15Å
26	C	47.7	Very low	37.9	Very low	20 Å²	20	101.8 Å²	101.8	14%	0.135	57%	0.574	C	S	.	*	H	α-helix	trans	-64.3	-39.1	175.6	-75.9	0	0	0	0	113.1	S22 K23 C564 L567	S22-C26 PolarHBondContact O-N 2.93Å; S22-C26 VanDerWaalsContact O-N 3.07Å; K23-C26 PolarHBondContact O-N 3.38Å; C26-C564 WeakPolarHBondContact CA-SG 3.28Å; C26-C564 HydrophobicContact CB-CB 3.66Å; C26-C564 WeakPolarHBondContact CB-SG 3.4Å; C26-C564 WeakPolarHBondContact SG-CB 3.19Å; C26-C564 CovalentContact SG-SG 2.03Å; C26-C564 PolarHBondContact SG-SG 3.33Å; C26-L567 HydrophobicContact CB-CD1 4.49Å
27	Y	40.2	Very low	38.3	Very low	104 Å²	104	101.3 Å²	101.3	41%	0.408	56%	0.56	S	S	.	*	H	α-helix	trans	-71.8	-49.8	175.4	-76.6	-73.6	0	0	0	110.6	K23 E24 G29 R30 I31 L567	K23-Y27 WeakPolarHBondContact O-CD2 3.47Å; K23-Y27 PolarHBondContact O-N 3.41Å; K23-Y27 VanDerWaalsContact O-N 3.1Å; E24-Y27 PolarHBondContact O-N 3.1Å; Y27-G29 PolarHBondContact O-N 3.3Å; Y27-R30 PolarHBondContact O-N 3.42Å; Y27-I31 VanDerWaalsContact O-CD1 3.29Å; Y27-I31 WeakPolarHBondContact O-CD1 3.41Å; Y27-I31 WeakPolarHBondContact O-CG1 2.92Å; Y27-I31 PolarHBondContact O-N 3.31Å; Y27-L567 HydrophobicContact CE1-CD2 4.01Å
28	S	33.8	Very low	39.2	Very low	89 Å²	89	99.9 Å²	99.9	62%	0.622	56%	0.564	S	S	*	*	H	α-helix	trans	-65.2	-33.1	-172.4	-155.7	0	0	0	0	114.4	E24 R30	E24-S28 WeakPolarHBondContact O-CB 3.11Å; E24-S28 PolarHBondContact O-N 3.25Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 3.26Å
29	G	37	Very low	40.3	Very low	74 Å²	74	99.8 Å²	99.8	76%	0.763	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-19.9	178.6	0	0	0	0	0	115.6	F25 Y27	F25-G29 PolarHBondContact O-N 3.03Å; F25-G29 VanDerWaalsContact O-N 3.15Å; Y27-G29 PolarHBondContact O-N 3.3Å
30	R	39.4	Very low	41.4	Very low	78 Å²	78	98 Å²	98	29%	0.294	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-9.2	-174.8	-144.6	-177.3	-154.3	140.9	2.8	114.2	Y27 S28 R32 C564	Y27-R30 PolarHBondContact O-N 3.42Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 3.26Å; R30-R32 PolarHBondContact O-N 2.66Å; R30-C564 PolarHBondContact NH1-O 3.15Å
31	I	33.2	Very low	43	Very low	102 Å²	102	95.7 Å²	95.7	52%	0.523	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-6.3	-176.7	-82.9	164	0	0	0	115.1	Y27 Q37	Y27-I31 VanDerWaalsContact O-CD1 3.29Å; Y27-I31 WeakPolarHBondContact O-CD1 3.41Å; Y27-I31 WeakPolarHBondContact O-CG1 2.92Å; Y27-I31 PolarHBondContact O-N 3.31Å; I31-Q37 PolarHBondContact O-OE1 3.47Å
32	R	32.5	Very low	44.3	Very low	248 Å²	248	93 Å²	93	94%	0.936	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.2	-170.8	-87.1	-175	171.2	-180	-2.1	117.9	R30	R30-R32 PolarHBondContact O-N 2.66Å
33	S	35.3	Very low	45.7	Very low	97 Å²	97	90 Å²	90	68%	0.678	50%	0.498	S	S	*	.	S	Bend	trans	-145.5	18.7	-165.1	63.1	0	0	0	0	120.2
34	T	39.1	Very low	47.4	Very low	76 Å²	76	84.4 Å²	84.4	47%	0.466	47%	0.474	S	S	.	.			trans	-126.5	123.5	169	61	0	0	0	0	112.2	L36 Q37	T34-L36 PolarHBondContact O-N 2.88Å; T34-Q37 PolarHBondContact O-N 3.48Å; T34-Q37 VanDerWaalsContact O-N 3.14Å; T34-Q37 VanDerWaalsContact OG1-CG 3.28Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.23Å; T34-Q37 PolarHBondContact OG1-OE1 3.2Å
35	V	38.4	Very low	49.5	Very low	126 Å²	126	81 Å²	81	76%	0.764	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.1	-177.5	176	0	0	0	0	113.2	T486	V35-T486 HydrophobicContact CG2-CG2 4.19Å
36	L	38.9	Very low	51	Low	73 Å²	73	78 Å²	78	38%	0.382	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	2.3	-178.2	-64.8	169.4	0	0	0	114.1	T34 G38 L39 V47	T34-L36 PolarHBondContact O-N 2.88Å; L36-G38 PolarHBondContact O-N 3.01Å; L36-L39 HydrophobicContact CD2-CD1 4.22Å; L36-V47 HydrophobicContact CD1-CG2 4.11Å; L36-V47 HydrophobicContact CD2-CG2 4.25Å
37	Q	40.2	Very low	52.5	Low	98 Å²	98	77.9 Å²	77.9	46%	0.458	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	116.3	179.4	-93.6	165	-26.3	0	0	111.2	I31 T34	I31-Q37 PolarHBondContact O-OE1 3.47Å; T34-Q37 PolarHBondContact O-N 3.48Å; T34-Q37 VanDerWaalsContact O-N 3.14Å; T34-Q37 VanDerWaalsContact OG1-CG 3.28Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.23Å; T34-Q37 PolarHBondContact OG1-OE1 3.2Å
38	G	48.9	Very low	54.6	Low	84 Å²	84	75.5 Å²	75.5	87%	0.866	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	129	-11.1	178.8	0	0	0	0	0	114.9	L36	L36-G38 PolarHBondContact O-N 3.01Å
39	L	54.3	Low	57.1	Low	72 Å²	72	73.9 Å²	73.9	38%	0.377	44%	0.441	S	S	.	.	S	Bend	trans	-87.7	141.8	177.7	-69.1	168.6	0	0	0	111.7	L36 T46	L36-L39 HydrophobicContact CD2-CD1 4.22Å; L39-T46 HydrophobicContact CD1-CG2 4.24Å
40	P	62.5	Low	59.2	Low	83 Å²	83	75.9 Å²	75.9	54%	0.539	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-58.3	144.6	176.5	25.2	-33.6	0	0	0	110.9	G42 G43	P40-G42 VanDerWaalsContact C-N 3.35Å; P40-G42 PolarHBondContact O-N 3.35Å; P40-G43 PolarHBondContact O-N 3.14Å
41	F	68.6	Low	61.4	Low	52 Å²	52	73 Å²	73	23%	0.228	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	57.5	38.1	177.1	-156.6	-100.5	0	0	0	114.9	G43 V44 P45 Y193 F195 T198 I648	F41-G43 PolarHBondContact O-N 3.29Å; F41-G43 VanDerWaalsContact O-N 3.17Å; F41-V44 HydrophobicContact CD1-CB 4.08Å; F41-V44 HydrophobicContact CD1-CG2 4.37Å; F41-V44 HydrophobicContact CE1-CB 4.45Å; F41-V44 PolarHBondContact O-N 2.81Å; F41-P45 HydrophobicContact CD1-CG 4.48Å; F41-Y193 PolarHBondContact N-O 3.28Å; F41-F195 AromaticContact CD1-CD2 3.87Å; F41-F195 HydrophobicContact CD1-CD2 3.87Å; F41-F195 HydrophobicContact CD2-CB 4.09Å; F41-F195 AromaticContact CE1-CD2 3.61Å; F41-F195 HydrophobicContact CE1-CD2 3.61Å; F41-F195 HydrophobicContact CE1-CE2 4.18Å; F41-F195 HydrophobicContact CE2-CB 4.34Å; F41-F195 HydrophobicContact CE2-CD2 4.29Å; F41-F195 HydrophobicContact CG-CB 4.25Å; F41-F195 HydrophobicContact CG-CD2 4.32Å; F41-F195 AromaticContact CZ-CD2 3.84Å; F41-F195 HydrophobicContact CZ-CD2 3.84Å; F41-T198 HydrophobicContact CE2-CG2 3.94Å; F41-T198 HydrophobicContact CZ-CG2 3.94Å; F41-I648 HydrophobicContact CE1-CD1 4.47Å; F41-I648 HydrophobicContact CZ-CD1 3.85Å
42	G	65.2	Low	64.2	Low	27 Å²	27	72.6 Å²	72.6	28%	0.278	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	65.9	19.1	176.3	0	0	0	0	0	114.5	P40 V44 N576	P40-G42 VanDerWaalsContact C-N 3.35Å; P40-G42 PolarHBondContact O-N 3.35Å; G42-V44 VanDerWaalsContact C-N 3.26Å; G42-V44 PolarHBondContact O-N 3.32Å; G42-N576 PolarHBondContact O-ND2 2.64Å
43	G	71.2	Confident	66.8	Low	0 Å²	0	66.7 Å²	66.7	0%	0	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	76.5	1.5	179.5	0	0	0	0	0	115.4	P40 F41 T46 V47	P40-G43 PolarHBondContact O-N 3.14Å; F41-G43 PolarHBondContact O-N 3.29Å; F41-G43 VanDerWaalsContact O-N 3.17Å; G43-T46 PolarHBondContact O-N 3.4Å; G43-T46 VanDerWaalsContact O-N 3.17Å; G43-V47 WeakPolarHBondContact O-CG2 3.38Å; G43-V47 PolarHBondContact O-N 2.78Å
44	V	80.4	Confident	69.3	Low	6 Å²	6	64.5 Å²	64.5	4%	0.036	39%	0.387	C	S	.	.	H	α-helix	trans	-56.2	-48.1	-174.4	177.8	0	0	0	0	113.3	F41 G42 T46 V47 L48 F195 V575 N576 I579 F652	F41-V44 HydrophobicContact CD1-CB 4.08Å; F41-V44 HydrophobicContact CD1-CG2 4.37Å; F41-V44 HydrophobicContact CE1-CB 4.45Å; F41-V44 PolarHBondContact O-N 2.81Å; G42-V44 VanDerWaalsContact C-N 3.26Å; G42-V44 PolarHBondContact O-N 3.32Å; V44-T46 VanDerWaalsContact C-N 3.32Å; V44-T46 PolarHBondContact O-N 3.18Å; V44-V47 PolarHBondContact O-N 3.2Å; V44-L48 VanDerWaalsContact O-CB 3.25Å; V44-L48 WeakPolarHBondContact O-CB 3.33Å; V44-L48 PolarHBondContact O-N 2.98Å; V44-F195 HydrophobicContact CG2-CD2 4.28Å; V44-F195 HydrophobicContact CG2-CE2 4.07Å; V44-V575 HydrophobicContact CG1-CG1 3.79Å; V44-V575 HydrophobicContact CG2-CB 4.44Å; V44-V575 HydrophobicContact CG2-CG1 3.96Å; V44-N576 VanDerWaalsContact CA-OD1 3.32Å; V44-N576 WeakPolarHBondContact CA-OD1 3.31Å; V44-N576 WeakPolarHBondContact CG2-OD1 3.17Å; V44-I579 HydrophobicContact CG1-CD1 3.68Å; V44-F652 HydrophobicContact CG1-CE2 4.42Å; V44-F652 HydrophobicContact CG1-CZ 4.5Å
45	P	84.9	Confident	71.7	Confident	72 Å²	72	62 Å²	62	47%	0.468	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-36.7	179.7	-21.2	34.8	0	0	0	112.7	F41 A49	F41-P45 HydrophobicContact CD1-CG 4.48Å; P45-A49 WeakPolarHBondContact O-CB 3.5Å; P45-A49 PolarHBondContact O-N 3.44Å
46	T	79	Confident	74.2	Confident	57 Å²	57	59.8 Å²	59.8	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-67.5	-47.5	178.2	-51.5	0	0	0	0	111.1	L39 G43 V44 A49 L50	L39-T46 HydrophobicContact CD1-CG2 4.24Å; G43-T46 PolarHBondContact O-N 3.4Å; G43-T46 VanDerWaalsContact O-N 3.17Å; V44-T46 VanDerWaalsContact C-N 3.32Å; V44-T46 PolarHBondContact O-N 3.18Å; T46-A49 PolarHBondContact O-N 3.02Å; T46-L50 HydrophobicContact CG2-CD1 4.2Å; T46-L50 WeakPolarHBondContact O-CG 3.35Å; T46-L50 PolarHBondContact O-N 2.78Å
47	V	78.6	Confident	76.7	Confident	18 Å²	18	61.7 Å²	61.7	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-45.6	176.9	172.2	0	0	0	0	110.2	L36 G43 V44 A49 L50 D51 N576 I579	L36-V47 HydrophobicContact CD1-CG2 4.11Å; L36-V47 HydrophobicContact CD2-CG2 4.25Å; G43-V47 WeakPolarHBondContact O-CG2 3.38Å; G43-V47 PolarHBondContact O-N 2.78Å; V44-V47 PolarHBondContact O-N 3.2Å; V47-A49 VanDerWaalsContact C-N 3.35Å; V47-A49 PolarHBondContact O-N 3.5Å; V47-L50 PolarHBondContact O-N 2.94Å; V47-D51 VanDerWaalsContact CG1-OD2 3.28Å; V47-D51 WeakPolarHBondContact CG1-OD2 3.24Å; V47-D51 VanDerWaalsContact O-CB 3.31Å; V47-D51 WeakPolarHBondContact O-CB 3.24Å; V47-D51 VanDerWaalsContact O-CG 3.31Å; V47-D51 PolarHBondContact O-N 3.08Å; V47-N576 HydrophobicContact CG1-CB 4.23Å; V47-I579 HydrophobicContact CG1-CG2 4.42Å
48	L	85.3	Confident	79	Confident	54 Å²	54	58 Å²	58	28%	0.283	35%	0.346	S	S	.	.	H	α-helix	trans	-56.1	-47.1	175.8	180	64.8	0	0	0	112.5	V44 F52 I579 F583 F652	V44-L48 VanDerWaalsContact O-CB 3.25Å; V44-L48 WeakPolarHBondContact O-CB 3.33Å; V44-L48 PolarHBondContact O-N 2.98Å; L48-F52 WeakPolarHBondContact O-CB 3.37Å; L48-F52 PolarHBondContact O-N 3.16Å; L48-I579 HydrophobicContact CB-CD1 4.44Å; L48-I579 HydrophobicContact CB-CG2 4.31Å; L48-I579 HydrophobicContact CD1-CG2 3.82Å; L48-F583 HydrophobicContact CD1-CD2 4.48Å; L48-F583 HydrophobicContact CD1-CE2 3.59Å; L48-F583 HydrophobicContact CD1-CZ 4.27Å; L48-F652 HydrophobicContact CD1-CE1 3.96Å; L48-F652 HydrophobicContact CD2-CE1 4.08Å; L48-F652 HydrophobicContact CD2-CZ 4.38Å
49	A	85.4	Confident	80.9	Confident	55 Å²	55	55.6 Å²	55.6	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-44.9	179.1	0	0	0	0	0	111.8	P45 T46 V47 F52 M53	P45-A49 WeakPolarHBondContact O-CB 3.5Å; P45-A49 PolarHBondContact O-N 3.44Å; T46-A49 PolarHBondContact O-N 3.02Å; V47-A49 VanDerWaalsContact C-N 3.35Å; V47-A49 PolarHBondContact O-N 3.5Å; A49-F52 PolarHBondContact O-N 2.84Å; A49-M53 WeakPolarHBondContact O-CB 3.47Å; A49-M53 VanDerWaalsContact O-CG 3.24Å; A49-M53 WeakPolarHBondContact O-CG 3.46Å; A49-M53 PolarHBondContact O-N 3.23Å
50	L	82.6	Confident	82.5	Confident	115 Å²	115	58.2 Å²	58.2	60%	0.602	32%	0.322	S	S	*	.	H	α-helix	trans	-63.8	-46.8	178.2	-71.8	174.6	0	0	0	112	T46 V47 F52 M53 C54	T46-L50 HydrophobicContact CG2-CD1 4.2Å; T46-L50 WeakPolarHBondContact O-CG 3.35Å; T46-L50 PolarHBondContact O-N 2.78Å; V47-L50 PolarHBondContact O-N 2.94Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-F52 PolarHBondContact O-N 3.42Å; L50-M53 PolarHBondContact O-N 2.95Å; L50-C54 WeakPolarHBondContact O-CB 3.47Å; L50-C54 PolarHBondContact O-N 3.07Å
51	D	85.8	Confident	83.6	Confident	18 Å²	18	57.7 Å²	57.7	10%	0.096	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-38.5	179.9	-73.1	-17.9	0	0	0	111.4	V47 C54 F55 I579 A580 F583 I584	V47-D51 VanDerWaalsContact CG1-OD2 3.28Å; V47-D51 WeakPolarHBondContact CG1-OD2 3.24Å; V47-D51 VanDerWaalsContact O-CB 3.31Å; V47-D51 WeakPolarHBondContact O-CB 3.24Å; V47-D51 VanDerWaalsContact O-CG 3.31Å; V47-D51 PolarHBondContact O-N 3.08Å; D51-C54 PolarHBondContact O-N 3.04Å; D51-F55 VanDerWaalsContact O-CB 3.23Å; D51-F55 WeakPolarHBondContact O-CB 3.47Å; D51-F55 PolarHBondContact O-N 3.24Å; D51-I579 HydrophobicContact CB-CG2 4.26Å; D51-A580 WeakPolarHBondContact OD2-CA 3.35Å; D51-A580 WeakPolarHBondContact OD2-CB 3.34Å; D51-A580 PolarHBondContact OD2-N 3.31Å; D51-F583 HydrophobicContact CB-CB 4.13Å; D51-F583 HydrophobicContact CB-CD2 4.16Å; D51-F583 HydrophobicContact CB-CG 4.48Å; D51-I584 VanDerWaalsContact OD1-CD1 3.27Å; D51-I584 WeakPolarHBondContact OD1-CD1 3.48Å
52	F	90.4	Very high	84.4	Confident	93 Å²	93	55.4 Å²	55.4	41%	0.408	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-43.1	174.2	-177.3	-104.2	0	0	0	112.2	L48 A49 L50 F55 L56 F583	L48-F52 WeakPolarHBondContact O-CB 3.37Å; L48-F52 PolarHBondContact O-N 3.16Å; A49-F52 PolarHBondContact O-N 2.84Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-F52 PolarHBondContact O-N 3.42Å; F52-F55 WeakPolarHBondContact O-CB 3.47Å; F52-F55 PolarHBondContact O-N 3.27Å; F52-L56 HydrophobicContact CD1-CD1 4.13Å; F52-L56 HydrophobicContact CE1-CD1 3.6Å; F52-L56 HydrophobicContact CE1-CG 4.18Å; F52-L56 HydrophobicContact CZ-CD1 4.02Å; F52-L56 HydrophobicContact CZ-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CG 4.25Å; F52-L56 WeakPolarHBondContact O-CG 3.13Å; F52-L56 PolarHBondContact O-N 2.81Å; F52-F583 HydrophobicContact CD2-CD1 4.44Å; F52-F583 AromaticContact CD2-CE1 3.87Å; F52-F583 HydrophobicContact CD2-CE1 3.87Å; F52-F583 HydrophobicContact CD2-CZ 4.23Å
53	M	88.9	Confident	85.3	Confident	125 Å²	125	54.3 Å²	54.3	62%	0.616	29%	0.292	S	S	*	.	H	α-helix	trans	-64.2	-42.6	175.4	-71.2	-61	-68.1	0	0	111.7	A49 L50 F55 L56 L57	A49-M53 WeakPolarHBondContact O-CB 3.47Å; A49-M53 VanDerWaalsContact O-CG 3.24Å; A49-M53 WeakPolarHBondContact O-CG 3.46Å; A49-M53 PolarHBondContact O-N 3.23Å; L50-M53 PolarHBondContact O-N 2.95Å; M53-F55 VanDerWaalsContact C-N 3.32Å; M53-F55 PolarHBondContact O-N 2.91Å; M53-L56 PolarHBondContact O-N 2.82Å; M53-L57 PolarHBondContact O-N 2.79Å; M53-L57 VanDerWaalsContact O-N 3.09Å
54	C	86.2	Confident	85.9	Confident	51 Å²	51	56.6 Å²	56.6	35%	0.345	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-42	174.1	-172.7	0	0	0	0	111.3	L50 D51 L56 L57 L58	L50-C54 WeakPolarHBondContact O-CB 3.47Å; L50-C54 PolarHBondContact O-N 3.07Å; D51-C54 PolarHBondContact O-N 3.04Å; C54-L56 PolarHBondContact O-N 3.33Å; C54-L57 WeakPolarHBondContact O-CB 3.24Å; C54-L57 PolarHBondContact O-N 3.05Å; C54-L58 WeakPolarHBondContact O-CG 3.49Å; C54-L58 PolarHBondContact O-N 3.26Å
55	F	90.1	Very high	85.7	Confident	24 Å²	24	59.3 Å²	59.3	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-46.5	175.6	178	-107.6	0	0	0	112.5	D51 F52 M53 L57 L58 L59 F583 A587 L659	D51-F55 VanDerWaalsContact O-CB 3.23Å; D51-F55 WeakPolarHBondContact O-CB 3.47Å; D51-F55 PolarHBondContact O-N 3.24Å; F52-F55 WeakPolarHBondContact O-CB 3.47Å; F52-F55 PolarHBondContact O-N 3.27Å; M53-F55 VanDerWaalsContact C-N 3.32Å; M53-F55 PolarHBondContact O-N 2.91Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 2.97Å; F55-L58 PolarHBondContact O-N 2.99Å; F55-L59 HydrophobicContact CD1-CD1 4Å; F55-L59 HydrophobicContact CD1-CG 4.38Å; F55-L59 HydrophobicContact CE1-CD1 3.4Å; F55-L59 HydrophobicContact CE1-CG 4.06Å; F55-L59 HydrophobicContact CE2-CD1 4.33Å; F55-L59 HydrophobicContact CE2-CD2 4.24Å; F55-L59 HydrophobicContact CE2-CG 4.2Å; F55-L59 HydrophobicContact CZ-CD1 3.59Å; F55-L59 HydrophobicContact CZ-CD2 4.15Å; F55-L59 HydrophobicContact CZ-CG 3.96Å; F55-L59 WeakPolarHBondContact O-CG 3.27Å; F55-L59 PolarHBondContact O-N 3.35Å; F55-F583 HydrophobicContact CB-CB 3.99Å; F55-F583 HydrophobicContact CB-CD1 4Å; F55-F583 HydrophobicContact CB-CG 4.35Å; F55-F583 AromaticContact CD1-CD1 3.95Å; F55-F583 HydrophobicContact CD1-CD1 3.95Å; F55-F583 HydrophobicContact CD1-CE1 4.48Å; F55-F583 HydrophobicContact CD2-CB 4.29Å; F55-F583 HydrophobicContact CD2-CD1 4.15Å; F55-F583 WeakPolarHBondContact CD2-O 3.5Å; F55-F583 HydrophobicContact CE1-CD1 4.45Å; F55-F583 HydrophobicContact CG-CB 4.31Å; F55-F583 AromaticContact CG-CD1 3.78Å; F55-F583 HydrophobicContact CG-CD1 3.78Å; F55-F583 HydrophobicContact CG-CG 4.5Å; F55-A587 HydrophobicContact CD2-CB 3.8Å; F55-A587 HydrophobicContact CE2-CB 4.11Å; F55-L659 HydrophobicContact CZ-CD2 4.26Å
56	L	91.1	Very high	85.3	Confident	79 Å²	79	57.4 Å²	57.4	41%	0.414	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-40.7	175.9	-68.8	178.9	0	0	0	112	F52 M53 C54 L59 F60	F52-L56 HydrophobicContact CD1-CD1 4.13Å; F52-L56 HydrophobicContact CE1-CD1 3.6Å; F52-L56 HydrophobicContact CE1-CG 4.18Å; F52-L56 HydrophobicContact CZ-CD1 4.02Å; F52-L56 HydrophobicContact CZ-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CG 4.25Å; F52-L56 WeakPolarHBondContact O-CG 3.13Å; F52-L56 PolarHBondContact O-N 2.81Å; M53-L56 PolarHBondContact O-N 2.82Å; C54-L56 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 3.28Å; L56-F60 WeakPolarHBondContact O-CB 3.08Å; L56-F60 PolarHBondContact O-N 3.37Å
57	L	91.1	Very high	85	Confident	112 Å²	112	61.9 Å²	61.9	59%	0.586	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-42.9	175.2	-175.8	148.5	0	0	0	111.6	M53 C54 F55 F60 L61	M53-L57 PolarHBondContact O-N 2.79Å; M53-L57 VanDerWaalsContact O-N 3.09Å; C54-L57 WeakPolarHBondContact O-CB 3.24Å; C54-L57 PolarHBondContact O-N 3.05Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 2.97Å; L57-F60 WeakPolarHBondContact O-CB 3.3Å; L57-F60 PolarHBondContact O-N 2.93Å; L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 PolarHBondContact O-N 3.25Å
58	L	88.3	Confident	84.6	Confident	22 Å²	22	71 Å²	71	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-38.9	176.4	-71.1	173.4	0	0	0	111.9	C54 F55 F60 L61 F62 A587 L591	C54-L58 WeakPolarHBondContact O-CG 3.49Å; C54-L58 PolarHBondContact O-N 3.26Å; F55-L58 PolarHBondContact O-N 2.99Å; L58-F60 VanDerWaalsContact C-N 3.34Å; L58-L61 HydrophobicContact CD2-CD2 4.47Å; L58-L61 PolarHBondContact O-N 3.25Å; L58-F62 WeakPolarHBondContact O-CB 3.27Å; L58-F62 PolarHBondContact O-N 3.35Å; L58-A587 HydrophobicContact CB-CB 3.86Å; L58-A587 HydrophobicContact CD1-CB 3.62Å; L58-A587 HydrophobicContact CG-CB 4.4Å; L58-L591 HydrophobicContact CB-CD1 4.18Å
59	L	88.3	Confident	83.4	Confident	32 Å²	32	70.1 Å²	70.1	17%	0.168	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-37	173.7	-71.8	-171.5	0	0	0	112.4	F55 L56 F62 S63 W133 L590	F55-L59 HydrophobicContact CD1-CD1 4Å; F55-L59 HydrophobicContact CD1-CG 4.38Å; F55-L59 HydrophobicContact CE1-CD1 3.4Å; F55-L59 HydrophobicContact CE1-CG 4.06Å; F55-L59 HydrophobicContact CE2-CD1 4.33Å; F55-L59 HydrophobicContact CE2-CD2 4.24Å; F55-L59 HydrophobicContact CE2-CG 4.2Å; F55-L59 HydrophobicContact CZ-CD1 3.59Å; F55-L59 HydrophobicContact CZ-CD2 4.15Å; F55-L59 HydrophobicContact CZ-CG 3.96Å; F55-L59 WeakPolarHBondContact O-CG 3.27Å; F55-L59 PolarHBondContact O-N 3.35Å; L56-L59 PolarHBondContact O-N 3.28Å; L59-F62 PolarHBondContact O-N 3.15Å; L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.21Å; L59-S63 PolarHBondContact O-OG 2.94Å; L59-W133 HydrophobicContact CD2-CH2 3.84Å; L59-W133 HydrophobicContact CD2-CZ2 3.93Å; L59-L590 HydrophobicContact CD2-CD2 3.73Å
60	F	87.9	Confident	82.1	Confident	127 Å²	127	69.6 Å²	69.6	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-48.4	172.3	178.7	-97.6	0	0	0	110.6	L56 L57 L58 F62 S63 V64 F130	L56-F60 WeakPolarHBondContact O-CB 3.08Å; L56-F60 PolarHBondContact O-N 3.37Å; L57-F60 WeakPolarHBondContact O-CB 3.3Å; L57-F60 PolarHBondContact O-N 2.93Å; L58-F60 VanDerWaalsContact C-N 3.34Å; F60-F62 VanDerWaalsContact C-N 3.31Å; F60-F62 PolarHBondContact O-N 3.19Å; F60-S63 WeakPolarHBondContact O-CB 3.3Å; F60-S63 PolarHBondContact O-N 2.92Å; F60-S63 VanDerWaalsContact O-N 3.08Å; F60-V64 HydrophobicContact CD1-CG2 4.25Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CE2-CG2 4.43Å; F60-V64 HydrophobicContact CZ-CG2 3.92Å; F60-V64 WeakPolarHBondContact O-CG2 3.09Å; F60-V64 PolarHBondContact O-N 3.24Å; F60-F130 AromaticContact CD2-CE1 3.74Å; F60-F130 HydrophobicContact CD2-CE1 3.74Å; F60-F130 AromaticContact CD2-CZ 3.79Å; F60-F130 HydrophobicContact CD2-CZ 3.79Å; F60-F130 AromaticContact CE2-CE1 3.82Å; F60-F130 HydrophobicContact CE2-CE1 3.82Å; F60-F130 AromaticContact CE2-CZ 3.59Å; F60-F130 HydrophobicContact CE2-CZ 3.59Å; F60-F130 HydrophobicContact CZ-CZ 4.32Å
61	L	86.9	Confident	80.7	Confident	72 Å²	72	67.9 Å²	67.9	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-44.4	175.2	-179.8	65.8	0	0	0	111.2	L57 L58 S63 V64 L65 L591	L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 PolarHBondContact O-N 3.25Å; L58-L61 HydrophobicContact CD2-CD2 4.47Å; L58-L61 PolarHBondContact O-N 3.25Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.04Å; L61-V64 PolarHBondContact O-N 3.1Å; L61-L65 HydrophobicContact CD1-CD1 4.16Å; L61-L65 HydrophobicContact CD1-CG 4.13Å; L61-L65 HydrophobicContact CD2-CD1 4.38Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.23Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.11Å; L61-L65 PolarHBondContact O-N 3.31Å; L61-L591 HydrophobicContact CD2-CD2 3.9Å; L61-L591 HydrophobicContact CG-CD2 4.16Å
62	F	85.7	Confident	79	Confident	5 Å²	5	69.6 Å²	69.6	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-44.6	174.1	173.4	-103.3	0	0	0	111.4	L58 L59 F60 V64 L65 R66 W70 W133 L590 L591 Y666	L58-F62 WeakPolarHBondContact O-CB 3.27Å; L58-F62 PolarHBondContact O-N 3.35Å; L59-F62 PolarHBondContact O-N 3.15Å; F60-F62 VanDerWaalsContact C-N 3.31Å; F60-F62 PolarHBondContact O-N 3.19Å; F62-V64 VanDerWaalsContact C-N 3.35Å; F62-V64 PolarHBondContact O-N 3.49Å; F62-L65 PolarHBondContact O-N 3.48Å; F62-R66 WeakPolarHBondContact O-CA 3.34Å; F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.37Å; F62-W70 HydrophobicContact CE2-CZ3 4.23Å; F62-W133 HydrophobicContact CD1-CD2 4.37Å; F62-W133 AromaticContact CD1-CE2 3.91Å; F62-W133 HydrophobicContact CD1-CZ2 4.05Å; F62-W133 AromaticContact CE1-CD2 3.74Å; F62-W133 HydrophobicContact CE1-CD2 3.74Å; F62-W133 AromaticContact CE1-CE2 3.76Å; F62-W133 HydrophobicContact CE1-CE3 4.12Å; F62-W133 HydrophobicContact CE1-CG 4.08Å; F62-W133 HydrophobicContact CE1-CZ2 4.19Å; F62-W133 HydrophobicContact CE1-CZ3 4.5Å; F62-L590 HydrophobicContact CD1-CD2 3.97Å; F62-L590 HydrophobicContact CD1-CG 4.47Å; F62-L590 HydrophobicContact CD2-CD2 4.41Å; F62-L590 HydrophobicContact CD2-CG 4.14Å; F62-L590 HydrophobicContact CE1-CD2 4.08Å; F62-L590 HydrophobicContact CE1-CG 4.33Å; F62-L590 HydrophobicContact CE2-CD1 4.47Å; F62-L590 HydrophobicContact CE2-CG 3.98Å; F62-L590 HydrophobicContact CG-CD2 4.15Å; F62-L590 HydrophobicContact CG-CG 4.38Å; F62-L590 HydrophobicContact CZ-CD1 4.25Å; F62-L590 HydrophobicContact CZ-CD2 4.34Å; F62-L590 HydrophobicContact CZ-CG 4.09Å; F62-L591 HydrophobicContact CB-CD1 3.91Å; F62-L591 HydrophobicContact CB-CD2 4.42Å; F62-L591 HydrophobicContact CB-CG 3.94Å; F62-L591 HydrophobicContact CD2-CG 4.17Å; F62-Y666 HydrophobicContact CE1-CE1 4.46Å; F62-Y666 HydrophobicContact CE2-CE1 4.44Å; F62-Y666 HydrophobicContact CZ-CD1 4.38Å; F62-Y666 AromaticContact CZ-CE1 3.6Å; F62-Y666 HydrophobicContact CZ-CE1 3.6Å
63	S	83.7	Confident	77.2	Confident	3 Å²	3	66 Å²	66	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-37.3	179.6	-57.2	0	0	0	0	112	L59 F60 L61 K67 W133	L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.21Å; L59-S63 PolarHBondContact O-OG 2.94Å; F60-S63 WeakPolarHBondContact O-CB 3.3Å; F60-S63 PolarHBondContact O-N 2.92Å; F60-S63 VanDerWaalsContact O-N 3.08Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.04Å; S63-K67 PolarHBondContact O-N 3.49Å; S63-W133 PolarHBondContact OG-NE1 3.23Å
64	V	82.8	Confident	75.8	Confident	48 Å²	48	64.4 Å²	64.4	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-51.1	173.9	175.5	0	0	0	0	111.6	F60 L61 F62 R66 K67 R68 F130	F60-V64 HydrophobicContact CD1-CG2 4.25Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CE2-CG2 4.43Å; F60-V64 HydrophobicContact CZ-CG2 3.92Å; F60-V64 WeakPolarHBondContact O-CG2 3.09Å; F60-V64 PolarHBondContact O-N 3.24Å; L61-V64 PolarHBondContact O-N 3.1Å; F62-V64 VanDerWaalsContact C-N 3.35Å; F62-V64 PolarHBondContact O-N 3.49Å; V64-R66 PolarHBondContact O-N 2.9Å; V64-K67 PolarHBondContact O-N 2.9Å; V64-K67 VanDerWaalsContact O-N 3.12Å; V64-R68 PolarHBondContact O-N 3.23Å; V64-F130 HydrophobicContact CG2-CE2 3.96Å; V64-F130 HydrophobicContact CG2-CZ 3.79Å
65	L	77.8	Confident	74.2	Confident	64 Å²	64	65.5 Å²	65.5	34%	0.335	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-36.8	177.2	-73.6	175.8	0	0	0	110.7	L61 F62 K67 R68 A69 W70 L591	L61-L65 HydrophobicContact CD1-CD1 4.16Å; L61-L65 HydrophobicContact CD1-CG 4.13Å; L61-L65 HydrophobicContact CD2-CD1 4.38Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.23Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.11Å; L61-L65 PolarHBondContact O-N 3.31Å; F62-L65 PolarHBondContact O-N 3.48Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 2.97Å; L65-R68 PolarHBondContact O-N 3.39Å; L65-A69 CarbonylContact O-C 3.6Å; L65-A69 VanDerWaalsContact O-CA 3.29Å; L65-A69 WeakPolarHBondContact O-CA 3.49Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 3.09Å; L65-W70 PolarHBondContact O-N 3.35Å; L65-L591 HydrophobicContact CD1-CD2 4.19Å
66	R	75.8	Confident	72.5	Confident	31 Å²	31	64.4 Å²	64.4	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-45.4	176	-171.4	-177.3	66.1	101.5	6.3	110.4	F62 V64 W70 D127 G129 F130 Y666	F62-R66 WeakPolarHBondContact O-CA 3.34Å; F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.37Å; V64-R66 PolarHBondContact O-N 2.9Å; R66-W70 HydrophobicContact CB-CB 4.47Å; R66-W70 HydrophobicContact CG-CB 3.94Å; R66-W70 HydrophobicContact CG-CD2 4.2Å; R66-W70 HydrophobicContact CG-CE3 4.46Å; R66-W70 HydrophobicContact CG-CG 3.98Å; R66-W70 WeakPolarHBondContact O-CB 3.43Å; R66-W70 PolarHBondContact O-N 3.38Å; R66-D127 PolarHBondContact NH1-O 2.98Å; R66-D127 VanDerWaalsContact NH1-O 3.08Å; R66-D127 IonicContact NH1-OD1 3.49Å; R66-D127 PolarHBondContact NH1-OD1 3.39Å; R66-D127 IonicContact NH1-OD2 2.86Å; R66-D127 PolarHBondContact NH1-OD2 2.96Å; R66-G129 PolarHBondContact NH2-O 3.01Å; R66-F130 PolarHBondContact NH2-O 2.98Å; R66-Y666 WeakPolarHBondContact CD-OH 3.11Å
67	K	73.7	Confident	70.8	Confident	152 Å²	152	62.4 Å²	62.4	66%	0.661	30%	0.297	S	S	*	.	H	α-helix	trans	-72.7	-32.5	-179	-165.9	172.3	-177.9	176.9	0	113.8	S63 V64 L65	S63-K67 PolarHBondContact O-N 3.49Å; V64-K67 PolarHBondContact O-N 2.9Å; V64-K67 VanDerWaalsContact O-N 3.12Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 2.97Å
68	R	68.9	Low	69.2	Low	210 Å²	210	58.9 Å²	58.9	79%	0.792	28%	0.28	S	S	*	.	H	α-helix	trans	-97.8	-25	-176.1	-71.8	-145.3	179.6	171.3	1	115.4	V64 L65	V64-R68 PolarHBondContact O-N 3.23Å; L65-R68 PolarHBondContact O-N 3.39Å
69	A	61.1	Low	67.6	Low	34 Å²	34	58.7 Å²	58.7	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-135.4	1.8	-169	0	0	0	0	0	113.8	L65 D71 Y72	L65-A69 CarbonylContact O-C 3.6Å; L65-A69 VanDerWaalsContact O-CA 3.29Å; L65-A69 WeakPolarHBondContact O-CA 3.49Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 3.09Å; A69-D71 VanDerWaalsContact C-N 3.3Å; A69-D71 PolarHBondContact O-N 2.79Å; A69-Y72 HydrophobicContact CB-CD2 3.91Å; A69-Y72 HydrophobicContact CB-CE2 3.75Å; A69-Y72 WeakPolarHBondContact O-CD2 3.34Å
70	W	56.8	Low	66.2	Low	45 Å²	45	59.6 Å²	59.6	17%	0.17	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.4	177.9	-161.6	-102.1	0	0	0	114.2	F62 L65 R66 Y72 G73 R74 Y666 A671	F62-W70 HydrophobicContact CE2-CZ3 4.23Å; L65-W70 PolarHBondContact O-N 3.35Å; R66-W70 HydrophobicContact CB-CB 4.47Å; R66-W70 HydrophobicContact CG-CB 3.94Å; R66-W70 HydrophobicContact CG-CD2 4.2Å; R66-W70 HydrophobicContact CG-CE3 4.46Å; R66-W70 HydrophobicContact CG-CG 3.98Å; R66-W70 WeakPolarHBondContact O-CB 3.43Å; R66-W70 PolarHBondContact O-N 3.38Å; W70-Y72 PolarHBondContact O-N 2.57Å; W70-G73 PolarHBondContact O-N 3.04Å; W70-G73 VanDerWaalsContact O-N 3.11Å; W70-R74 PolarHBondContact O-N 3.43Å; W70-R74 VanDerWaalsContact O-N 3.1Å; W70-Y666 HydrophobicContact CH2-CE1 4.37Å; W70-Y666 HydrophobicContact CZ2-CE1 4.47Å; W70-A671 HydrophobicContact CH2-CB 3.93Å; W70-A671 HydrophobicContact CZ2-CB 4.05Å
71	D	52.9	Low	64.7	Low	78 Å²	78	54.9 Å²	54.9	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-54.7	-27.8	172.7	-72	-40.5	0	0	0	111.1	A69 R74 L75	A69-D71 VanDerWaalsContact C-N 3.3Å; A69-D71 PolarHBondContact O-N 2.79Å; D71-R74 IonicContact OD1-CZ 2.72Å; D71-R74 IonicContact OD1-NH1 2.76Å; D71-R74 PolarHBondContact OD1-NH1 3.27Å; D71-L75 VanDerWaalsContact O-CB 3.24Å; D71-L75 WeakPolarHBondContact O-CB 3.42Å; D71-L75 PolarHBondContact O-N 3.25Å
72	Y	51.6	Low	63.3	Low	55 Å²	55	55.2 Å²	55.2	22%	0.216	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-48.5	174.5	-53.8	-51.2	0	0	0	114.4	A69 W70 R74 L75 A76 K616 E820	A69-Y72 HydrophobicContact CB-CD2 3.91Å; A69-Y72 HydrophobicContact CB-CE2 3.75Å; A69-Y72 WeakPolarHBondContact O-CD2 3.34Å; W70-Y72 PolarHBondContact O-N 2.57Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-L75 PolarHBondContact O-N 3.38Å; Y72-A76 PolarHBondContact O-N 2.85Å; Y72-A76 VanDerWaalsContact O-N 3.17Å; Y72-K616 HydrophobicContact CD1-CD 4.25Å; Y72-K616 HydrophobicContact CD1-CG 4.35Å; Y72-K616 HydrophobicContact CE1-CD 4.21Å; Y72-E820 WeakPolarHBondContact CE1-OE1 3.47Å
73	G	52.6	Low	61.9	Low	16 Å²	16	59 Å²	59	17%	0.165	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-36.7	178.3	0	0	0	0	0	111.6	W70 L77	W70-G73 PolarHBondContact O-N 3.04Å; W70-G73 VanDerWaalsContact O-N 3.11Å; G73-L77 PolarHBondContact O-N 3.46Å
74	R	59.4	Low	60.6	Low	93 Å²	93	64 Å²	64	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-46.8	174.4	-164.6	175.6	98	-135	2.1	111.5	W70 D71 Y72 A76 L77 V78	W70-R74 PolarHBondContact O-N 3.43Å; W70-R74 VanDerWaalsContact O-N 3.1Å; D71-R74 IonicContact OD1-CZ 2.72Å; D71-R74 IonicContact OD1-NH1 2.76Å; D71-R74 PolarHBondContact OD1-NH1 3.27Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; R74-A76 PolarHBondContact O-N 2.9Å; R74-L77 PolarHBondContact O-N 2.96Å; R74-L77 VanDerWaalsContact O-N 3.16Å; R74-V78 HydrophobicContact CG-CG2 4.28Å; R74-V78 WeakPolarHBondContact O-CG2 3.24Å; R74-V78 PolarHBondContact O-N 3.02Å
75	L	52.2	Low	59.2	Low	73 Å²	73	69.1 Å²	69.1	38%	0.382	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-37.1	179.4	-155.3	87.2	0	0	0	111.9	D71 Y72 A79 K617	D71-L75 VanDerWaalsContact O-CB 3.24Å; D71-L75 WeakPolarHBondContact O-CB 3.42Å; D71-L75 PolarHBondContact O-N 3.25Å; Y72-L75 PolarHBondContact O-N 3.38Å; L75-A79 WeakPolarHBondContact O-CB 3.21Å; L75-A79 PolarHBondContact O-N 2.62Å; L75-K617 HydrophobicContact CD2-CG 4.13Å
76	A	53.2	Low	58.1	Low	1 Å²	1	72.2 Å²	72.2	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-70.1	-36.2	178.8	0	0	0	0	0	112.6	Y72 R74 D80 Q619 A620	Y72-A76 PolarHBondContact O-N 2.85Å; Y72-A76 VanDerWaalsContact O-N 3.17Å; R74-A76 PolarHBondContact O-N 2.9Å; A76-D80 PolarHBondContact O-N 3.22Å; A76-Q619 HydrophobicContact CB-CB 4.25Å; A76-A620 HydrophobicContact CB-CB 3.77Å
77	L	57.2	Low	57	Low	37 Å²	37	75.9 Å²	75.9	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-72	-41	174	-69.7	173.5	0	0	0	112.2	G73 R74 D80 A81 A620 Y670	G73-L77 PolarHBondContact O-N 3.46Å; R74-L77 PolarHBondContact O-N 2.96Å; R74-L77 VanDerWaalsContact O-N 3.16Å; L77-D80 PolarHBondContact O-N 2.85Å; L77-A81 PolarHBondContact O-N 3.27Å; L77-A620 HydrophobicContact CD2-CB 4.48Å; L77-Y670 WeakPolarHBondContact CD1-O 3.47Å
78	V	57.4	Low	55.9	Low	38 Å²	38	71.9 Å²	71.9	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-47.5	174.3	177	0	0	0	0	110	R74 D80 A81 D82 M121	R74-V78 HydrophobicContact CG-CG2 4.28Å; R74-V78 WeakPolarHBondContact O-CG2 3.24Å; R74-V78 PolarHBondContact O-N 3.02Å; V78-D80 PolarHBondContact O-N 2.83Å; V78-A81 WeakPolarHBondContact O-CB 3.22Å; V78-A81 PolarHBondContact O-N 2.73Å; V78-A81 VanDerWaalsContact O-N 3.14Å; V78-D82 PolarHBondContact O-N 2.98Å; V78-M121 HydrophobicContact CB-SD 4.34Å; V78-M121 HydrophobicContact CG1-SD 4.4Å; V78-M121 HydrophobicContact CG2-CE 3.57Å; V78-M121 HydrophobicContact CG2-SD 3.63Å
79	A	54	Low	55.1	Low	19 Å²	19	66 Å²	66	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-29.4	179	0	0	0	0	0	113.1	L75 R83 K617	L75-A79 WeakPolarHBondContact O-CB 3.21Å; L75-A79 PolarHBondContact O-N 2.62Å; A79-R83 WeakPolarHBondContact O-CG 3.32Å; A79-R83 PolarHBondContact O-N 3.24Å; A79-R83 VanDerWaalsContact O-N 3.11Å; A79-K617 HydrophobicContact CB-CB 4.5Å
80	D	58.8	Low	54.5	Low	50 Å²	50	70.8 Å²	70.8	27%	0.267	33%	0.328	S	S	.	.	H	α-helix	trans	-75.4	-40.8	172.5	-164.3	68.7	0	0	0	112.6	A76 L77 V78 D82 R83 K84 L673	A76-D80 PolarHBondContact O-N 3.22Å; L77-D80 PolarHBondContact O-N 2.85Å; V78-D80 PolarHBondContact O-N 2.83Å; D80-D82 VanDerWaalsContact C-N 3.31Å; D80-D82 PolarHBondContact O-N 2.85Å; D80-R83 WeakPolarHBondContact O-CB 3.48Å; D80-R83 PolarHBondContact O-N 2.77Å; D80-R83 IonicContact OD1-NE 3.55Å; D80-K84 WeakPolarHBondContact O-CB 3.45Å; D80-K84 PolarHBondContact O-N 2.8Å; D80-L673 HydrophobicContact CB-CD2 4.11Å; D80-L673 VanDerWaalsContact CG-CD2 3.45Å; D80-L673 VanDerWaalsContact OD2-CD2 3.24Å; D80-L673 WeakPolarHBondContact OD2-CD2 3.35Å
81	A	56.7	Low	54.1	Low	28 Å²	28	73.6 Å²	73.6	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-43.3	172.5	0	0	0	0	0	111.4	L77 V78 K84 R85	L77-A81 PolarHBondContact O-N 3.27Å; V78-A81 WeakPolarHBondContact O-CB 3.22Å; V78-A81 PolarHBondContact O-N 2.73Å; V78-A81 VanDerWaalsContact O-N 3.14Å; A81-K84 PolarHBondContact O-N 3.04Å; A81-R85 WeakPolarHBondContact O-CB 3.41Å; A81-R85 PolarHBondContact O-N 3.4Å
82	D	56.7	Low	53.9	Low	80 Å²	80	73 Å²	73	43%	0.428	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-44.1	174	-71.9	-25.1	0	0	0	111.4	V78 D80 K84 R85 E86	V78-D82 PolarHBondContact O-N 2.98Å; D80-D82 VanDerWaalsContact C-N 3.31Å; D80-D82 PolarHBondContact O-N 2.85Å; D82-K84 VanDerWaalsContact C-N 3.31Å; D82-K84 PolarHBondContact O-N 2.73Å; D82-R85 WeakPolarHBondContact O-CB 3.48Å; D82-R85 PolarHBondContact O-N 2.94Å; D82-E86 WeakPolarHBondContact O-CG 3.37Å; D82-E86 PolarHBondContact O-N 2.87Å
83	R	56.9	Low	53.7	Low	85 Å²	85	78.8 Å²	78.8	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-39.5	173.8	-87	-171.9	-76.7	-125.4	-8	113	A79 D80 R87 K617 H618	A79-R83 WeakPolarHBondContact O-CG 3.32Å; A79-R83 PolarHBondContact O-N 3.24Å; A79-R83 VanDerWaalsContact O-N 3.11Å; D80-R83 WeakPolarHBondContact O-CB 3.48Å; D80-R83 PolarHBondContact O-N 2.77Å; D80-R83 IonicContact OD1-NE 3.55Å; R83-R87 WeakPolarHBondContact O-CB 3.4Å; R83-R87 PolarHBondContact O-N 2.84Å; R83-K617 PolarHBondContact NH2-O 3.29Å; R83-H618 PolarHBondContact NH1-CD2 3.39Å; R83-H618 PolarHBondContact NH1-CE1 2.74Å; R83-H618 PolarHBondContact NH1-NE2 3.27Å
84	K	56.8	Low	53.4	Low	108 Å²	108	82 Å²	82	47%	0.47	38%	0.375	S	S	.	.	H	α-helix	trans	-68.4	-39.3	177.7	-162.7	177.2	-179.7	-175.9	0	110.4	D80 A81 D82 R87 D88	D80-K84 WeakPolarHBondContact O-CB 3.45Å; D80-K84 PolarHBondContact O-N 2.8Å; A81-K84 PolarHBondContact O-N 3.04Å; D82-K84 VanDerWaalsContact C-N 3.31Å; D82-K84 PolarHBondContact O-N 2.73Å; K84-R87 WeakPolarHBondContact O-CB 3.07Å; K84-R87 PolarHBondContact O-N 3.08Å; K84-D88 WeakPolarHBondContact O-CB 3.16Å; K84-D88 PolarHBondContact O-N 3.08Å
85	R	53.9	Low	52.7	Low	155 Å²	155	82 Å²	82	59%	0.585	38%	0.382	S	S	*	.	H	α-helix	trans	-63.4	-46.2	173.2	-174	-177.4	-177.7	-176.3	3.3	112.4	A81 D82 R87 D88 Q89	A81-R85 WeakPolarHBondContact O-CB 3.41Å; A81-R85 PolarHBondContact O-N 3.4Å; D82-R85 WeakPolarHBondContact O-CB 3.48Å; D82-R85 PolarHBondContact O-N 2.94Å; R85-R87 PolarHBondContact O-N 2.8Å; R85-D88 PolarHBondContact O-N 2.83Å; R85-Q89 HydrophobicContact CG-CG 4.42Å; R85-Q89 WeakPolarHBondContact O-CB 3.32Å; R85-Q89 WeakPolarHBondContact O-CG 3.45Å; R85-Q89 PolarHBondContact O-N 2.93Å
86	E	53.3	Low	52.4	Low	129 Å²	129	83.7 Å²	83.7	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-58.1	-40.9	174.4	-75.8	177.9	174.4	0	0	111	D82 R90	D82-E86 WeakPolarHBondContact O-CG 3.37Å; D82-E86 PolarHBondContact O-N 2.87Å; E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 PolarHBondContact O-N 3.05Å
87	R	52.7	Low	51.9	Low	107 Å²	107	94 Å²	94	40%	0.404	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-51.6	174.5	-176.2	-171.3	-61.6	169.6	3.5	111.3	R83 K84 R85 Q89 R90 Y91	R83-R87 WeakPolarHBondContact O-CB 3.4Å; R83-R87 PolarHBondContact O-N 2.84Å; K84-R87 WeakPolarHBondContact O-CB 3.07Å; K84-R87 PolarHBondContact O-N 3.08Å; R85-R87 PolarHBondContact O-N 2.8Å; R87-Q89 PolarHBondContact O-N 3.38Å; R87-R90 WeakPolarHBondContact O-CB 3.49Å; R87-R90 PolarHBondContact O-N 2.87Å; R87-R90 VanDerWaalsContact O-N 3.16Å; R87-Y91 HydrophobicContact CG-CD2 3.85Å; R87-Y91 HydrophobicContact CG-CE2 3.67Å; R87-Y91 VanDerWaalsContact O-CD2 3.24Å; R87-Y91 WeakPolarHBondContact O-CD2 3.48Å; R87-Y91 PolarHBondContact O-N 3.28Å
88	D	51	Low	51.2	Low	69 Å²	69	100 Å²	100	37%	0.369	46%	0.457	S	S	.	.	H	α-helix	trans	-67.3	-37.7	-176	-66.5	-14.2	0	0	0	111.8	K84 R85 R90 Y91 S92	K84-D88 WeakPolarHBondContact O-CB 3.16Å; K84-D88 PolarHBondContact O-N 3.08Å; R85-D88 PolarHBondContact O-N 2.83Å; D88-R90 VanDerWaalsContact C-N 3.34Å; D88-Y91 PolarHBondContact O-N 3.35Å; D88-S92 WeakPolarHBondContact O-CB 3.24Å; D88-S92 PolarHBondContact O-N 3.45Å; D88-S92 PolarHBondContact O-OG 3.01Å
89	Q	52.4	Low	50.4	Low	87 Å²	87	105.7 Å²	105.7	41%	0.407	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-38.3	171.5	-76.2	-177.9	-10.9	0	0	112	R85 R87 S92 R93	R85-Q89 HydrophobicContact CG-CG 4.42Å; R85-Q89 WeakPolarHBondContact O-CB 3.32Å; R85-Q89 WeakPolarHBondContact O-CG 3.45Å; R85-Q89 PolarHBondContact O-N 2.93Å; R87-Q89 PolarHBondContact O-N 3.38Å; Q89-S92 PolarHBondContact O-N 3.42Å; Q89-R93 WeakPolarHBondContact O-CG 3.27Å; Q89-R93 PolarHBondContact O-N 3.5Å
90	R	47.1	Very low	49.7	Very low	134 Å²	134	110.3 Å²	110.3	51%	0.506	50%	0.502	S	S	.	.	H	α-helix	trans	-67.6	-39.8	176.8	-173.9	-175.9	-78.8	-164.2	-12.2	112	E86 R87 D88 L94 E785	E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 PolarHBondContact O-N 3.05Å; R87-R90 WeakPolarHBondContact O-CB 3.49Å; R87-R90 PolarHBondContact O-N 2.87Å; R87-R90 VanDerWaalsContact O-N 3.16Å; D88-R90 VanDerWaalsContact C-N 3.34Å; R90-L94 WeakPolarHBondContact O-CG 3.4Å; R90-L94 PolarHBondContact O-N 3.44Å; R90-E785 IonicContact CZ-OE1 3.81Å; R90-E785 IonicContact NH1-OE1 2.73Å; R90-E785 PolarHBondContact NH1-OE1 3.22Å; R90-E785 IonicContact NH2-OE1 3.05Å; R90-E785 PolarHBondContact NH2-OE1 3.29Å
91	Y	50.4	Low	48.7	Very low	103 Å²	103	115.5 Å²	115.5	40%	0.404	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-42.6	173.1	-84.1	-74.8	0	0	0	111.9	R87 D88 R93 L94 D95	R87-Y91 HydrophobicContact CG-CD2 3.85Å; R87-Y91 HydrophobicContact CG-CE2 3.67Å; R87-Y91 VanDerWaalsContact O-CD2 3.24Å; R87-Y91 WeakPolarHBondContact O-CD2 3.48Å; R87-Y91 PolarHBondContact O-N 3.28Å; D88-Y91 PolarHBondContact O-N 3.35Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.95Å; Y91-L94 WeakPolarHBondContact O-CB 3.38Å; Y91-L94 PolarHBondContact O-N 3.22Å; Y91-L94 VanDerWaalsContact O-N 3.1Å; Y91-D95 PolarHBondContact O-N 3.41Å; Y91-D95 VanDerWaalsContact O-N 3.08Å
92	S	47.8	Very low	47.6	Very low	65 Å²	65	118.4 Å²	118.4	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-40.9	178.3	-53.4	0	0	0	0	111.9	D88 Q89 L94 D95 D96	D88-S92 WeakPolarHBondContact O-CB 3.24Å; D88-S92 PolarHBondContact O-N 3.45Å; D88-S92 PolarHBondContact O-OG 3.01Å; Q89-S92 PolarHBondContact O-N 3.42Å; S92-L94 VanDerWaalsContact C-N 3.26Å; S92-L94 PolarHBondContact O-N 3.08Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D96 PolarHBondContact O-N 3Å
93	R	47.7	Very low	46.7	Very low	178 Å²	178	120.5 Å²	120.5	67%	0.672	57%	0.566	S	S	*	*	H	α-helix	trans	-66	-25.1	175.3	-74.8	-176.8	-165	161.6	5.2	114.2	Q89 Y91	Q89-R93 WeakPolarHBondContact O-CG 3.27Å; Q89-R93 PolarHBondContact O-N 3.5Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.95Å
94	L	45.9	Very low	45.8	Very low	82 Å²	82	123.8 Å²	123.8	43%	0.429	59%	0.589	S	S	.	*	H	α-helix	trans	-78	-41.4	175.6	-75.8	162.1	0	0	0	110.6	R90 Y91 S92 R97 E98	R90-L94 WeakPolarHBondContact O-CG 3.4Å; R90-L94 PolarHBondContact O-N 3.44Å; Y91-L94 WeakPolarHBondContact O-CB 3.38Å; Y91-L94 PolarHBondContact O-N 3.22Å; Y91-L94 VanDerWaalsContact O-N 3.1Å; S92-L94 VanDerWaalsContact C-N 3.26Å; S92-L94 PolarHBondContact O-N 3.08Å; L94-R97 PolarHBondContact O-N 2.95Å; L94-E98 PolarHBondContact O-N 2.76Å
95	D	45.8	Very low	44.8	Very low	93 Å²	93	124.5 Å²	124.5	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-63.4	-43.1	173.7	-106.8	-10.7	0	0	0	111.8	Y91 S92 R97 E98 Y99	Y91-D95 PolarHBondContact O-N 3.41Å; Y91-D95 VanDerWaalsContact O-N 3.08Å; S92-D95 PolarHBondContact O-N 3.36Å; D95-R97 PolarHBondContact O-N 2.75Å; D95-E98 PolarHBondContact O-N 3.44Å; D95-E98 VanDerWaalsContact O-N 3.09Å; D95-Y99 PolarHBondContact O-N 3.18Å
96	D	44.5	Very low	43.7	Very low	110 Å²	110	125.2 Å²	125.2	59%	0.588	62%	0.615	S	S	*	*	H	α-helix	trans	-63	-28	178.5	-75.4	-25.5	0	0	0	112.4	S92 V100	S92-D96 PolarHBondContact O-N 3Å; D96-V100 VanDerWaalsContact O-CG2 3.23Å; D96-V100 WeakPolarHBondContact O-CG2 3.28Å
97	R	43.7	Very low	42.7	Very low	217 Å²	217	124.8 Å²	124.8	82%	0.819	62%	0.623	S	S	*	*	H	α-helix	trans	-81.4	-18.1	178.8	-158.7	166	177.2	161	-1.9	112.6	L94 D95	L94-R97 PolarHBondContact O-N 2.95Å; D95-R97 PolarHBondContact O-N 2.75Å
98	E	41.7	Very low	41.8	Very low	163 Å²	163	125.7 Å²	125.7	76%	0.762	64%	0.636	S	S	*	*	H	α-helix	trans	-90.2	-14.4	175.7	-134.7	170.8	-168.8	0	0	112.5	L94 D95	L94-E98 PolarHBondContact O-N 2.76Å; D95-E98 PolarHBondContact O-N 3.44Å; D95-E98 VanDerWaalsContact O-N 3.09Å
99	Y	41.4	Very low	40.8	Very low	157 Å²	157	130.6 Å²	130.6	62%	0.616	66%	0.657	S	S	*	*			trans	-113.1	17.6	-174.3	-94.8	-86.2	0	0	0	116.5	D95 N101	D95-Y99 PolarHBondContact O-N 3.18Å; Y99-N101 PolarHBondContact O-N 3.21Å
100	V	39.3	Very low	39.8	Very low	117 Å²	117	136.3 Å²	136.3	71%	0.709	68%	0.675	S	S	*	*			trans	-81	50.6	174.2	-163.9	0	0	0	0	112.1	D96	D96-V100 VanDerWaalsContact O-CG2 3.23Å; D96-V100 WeakPolarHBondContact O-CG2 3.28Å
101	N	37.5	Very low	39	Very low	158 Å²	158	137.1 Å²	137.1	85%	0.845	68%	0.679	S	S	*	*	S	Bend	trans	-155.9	49.3	169.9	-90.3	-28.7	0	0	0	112	Y99	Y99-N101 PolarHBondContact O-N 3.21Å
102	S	32.4	Very low	37.9	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	68%	0.681	S	S	*	*	S	Bend	trans	-165.4	150.1	158.2	-9.9	0	0	0	0	111.5
103	P	38.8	Very low	37.1	Very low	125 Å²	125	140.8 Å²	140.8	81%	0.812	69%	0.694	S	S	*	*			trans	-74.1	141.6	175.3	31.2	-30.6	0	0	0	110.8
104	L	38.7	Very low	36.4	Very low	154 Å²	154	138.4 Å²	138.4	81%	0.806	69%	0.693	S	S	*	*			trans	-22.6	146.2	-176.4	-82.5	100.6	0	0	0	118.6
105	P	33.9	Very low	35.8	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	70%	0.698	S	S	*	*				-124.1	155.5	112.1	13.1	6.6	0	0	0	112.5
106	E	32.1	Very low	35.2	Very low	170 Å²	170	136.7 Å²	136.7	79%	0.794	69%	0.693	S	S	*	*			trans	-48	145.5	-176.1	-70.9	-165.8	141.5	0	0	115	N108	E106-N108 PolarHBondContact O-N 3.45Å
107	P	32.6	Very low	34.7	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	69%	0.69	S	S	*	*			trans	-66.8	128.8	175.5	4.3	6.4	0	0	0	110.7	E109	P107-E109 PolarHBondContact O-N 3.2Å
108	N	32.7	Very low	34.1	Very low	126 Å²	126	128.6 Å²	128.6	67%	0.674	67%	0.674	S	S	*	*			trans	-50.5	106.1	174	-85.9	-47.1	0	0	0	112.2	E106 R110 Y111	E106-N108 PolarHBondContact O-N 3.45Å; N108-R110 PolarHBondContact O-N 2.72Å; N108-Y111 HydrophobicContact CB-CD2 4.42Å; N108-Y111 PolarHBondContact O-N 2.98Å
109	E	30.1	Very low	33.7	Very low	172 Å²	172	125.2 Å²	125.2	80%	0.804	67%	0.668	S	S	*	*	H	α-helix	trans	-50.3	-22.4	174.2	-73.8	-172.3	137.5	0	0	114	P107 Y111 A112 R113	P107-E109 PolarHBondContact O-N 3.2Å; E109-Y111 VanDerWaalsContact C-N 3.34Å; E109-Y111 PolarHBondContact O-N 3.28Å; E109-A112 PolarHBondContact O-N 3.36Å; E109-R113 PolarHBondContact O-N 2.78Å
110	R	30.8	Very low	33.4	Very low	208 Å²	208	120.5 Å²	120.5	79%	0.785	66%	0.658	S	S	*	*	H	α-helix	trans	-68.6	-29	179.8	-162	179.4	-95.6	-173.6	-5.8	113.1	N108	N108-R110 PolarHBondContact O-N 2.72Å
111	Y	31.2	Very low	33.5	Very low	150 Å²	150	119.9 Å²	119.9	59%	0.588	65%	0.649	S	S	*	*	H	α-helix	trans	-83.9	-33.1	174.5	-85.1	-90	0	0	0	112.3	N108 E109 R113 L114 T115	N108-Y111 HydrophobicContact CB-CD2 4.42Å; N108-Y111 PolarHBondContact O-N 2.98Å; E109-Y111 VanDerWaalsContact C-N 3.34Å; E109-Y111 PolarHBondContact O-N 3.28Å; Y111-R113 PolarHBondContact O-N 2.84Å; Y111-L114 PolarHBondContact O-N 2.98Å; Y111-T115 PolarHBondContact O-N 3.1Å; Y111-T115 PolarHBondContact O-OG1 3.3Å
112	A	27.8	Very low	33.5	Very low	55 Å²	55	118.6 Å²	118.6	46%	0.455	64%	0.642	S	S	.	*	H	α-helix	trans	-62.9	-30.7	169.6	0	0	0	0	0	111.8	E109 T115 S116	E109-A112 PolarHBondContact O-N 3.36Å; A112-T115 VanDerWaalsContact CA-OG1 3.28Å; A112-T115 WeakPolarHBondContact CA-OG1 3.49Å; A112-T115 PolarHBondContact O-OG1 3.37Å; A112-S116 WeakPolarHBondContact O-CB 3.38Å; A112-S116 PolarHBondContact O-N 3.2Å; A112-S116 PolarHBondContact O-OG 2.88Å
113	R	29.8	Very low	34.1	Very low	191 Å²	191	119.4 Å²	119.4	72%	0.721	64%	0.637	S	S	*	*	H	α-helix	trans	-68.5	-38.8	174.5	-122.9	-178.3	-152	176.9	9.4	113.8	E109 Y111 S116 V117	E109-R113 PolarHBondContact O-N 2.78Å; Y111-R113 PolarHBondContact O-N 2.84Å; R113-S116 WeakPolarHBondContact CA-OG 3.33Å; R113-S116 PolarHBondContact O-OG 3.48Å; R113-V117 WeakPolarHBondContact O-CB 3.45Å; R113-V117 WeakPolarHBondContact O-CG2 3.43Å; R113-V117 PolarHBondContact O-N 2.76Å
114	L	33.3	Very low	34.3	Very low	127 Å²	127	115.3 Å²	115.3	67%	0.665	61%	0.608	S	S	*	*	H	α-helix	trans	-71.4	-33.8	177.2	-75.7	158.8	0	0	0	112	Y111 S118	Y111-L114 PolarHBondContact O-N 2.98Å; L114-S118 PolarHBondContact O-N 2.94Å
115	T	32.8	Very low	34.7	Very low	84 Å²	84	112.4 Å²	112.4	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-80.4	-30.2	176.7	41.2	0	0	0	0	113.1	Y111 A112 S119	Y111-T115 PolarHBondContact O-N 3.1Å; Y111-T115 PolarHBondContact O-OG1 3.3Å; A112-T115 VanDerWaalsContact CA-OG1 3.28Å; A112-T115 WeakPolarHBondContact CA-OG1 3.49Å; A112-T115 PolarHBondContact O-OG1 3.37Å; T115-S119 PolarHBondContact O-N 2.82Å
116	S	33.1	Very low	35.5	Very low	56 Å²	56	112.5 Å²	112.5	39%	0.392	58%	0.583	S	S	.	*	H	α-helix	trans	-82.2	-26.3	172.6	59	0	0	0	0	113.9	A112 R113 S118 S119 S120	A112-S116 WeakPolarHBondContact O-CB 3.38Å; A112-S116 PolarHBondContact O-N 3.2Å; A112-S116 PolarHBondContact O-OG 2.88Å; R113-S116 WeakPolarHBondContact CA-OG 3.33Å; R113-S116 PolarHBondContact O-OG 3.48Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.24Å; S116-S119 VanDerWaalsContact C-OG 3.32Å; S116-S119 VanDerWaalsContact CA-OG 3.3Å; S116-S119 WeakPolarHBondContact CA-OG 3.32Å; S116-S119 CarbonylContact O-C 3.51Å; S116-S119 WeakPolarHBondContact O-CA 3.28Å; S116-S119 VanDerWaalsContact O-CB 3.3Å; S116-S119 WeakPolarHBondContact O-CB 3.36Å; S116-S119 PolarHBondContact O-N 2.98Å; S116-S119 PolarHBondContact O-OG 3.22Å; S116-S120 PolarHBondContact O-N 3.45Å; S116-S120 VanDerWaalsContact O-N 3.09Å
117	V	34.2	Very low	36.6	Very low	89 Å²	89	105.6 Å²	105.6	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-70.5	-26	168.7	173.8	0	0	0	0	111.1	R113 S119 S120	R113-V117 WeakPolarHBondContact O-CB 3.45Å; R113-V117 WeakPolarHBondContact O-CG2 3.43Å; R113-V117 PolarHBondContact O-N 2.76Å; V117-S119 VanDerWaalsContact C-N 3.29Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 PolarHBondContact O-OG 3Å
118	S	32.4	Very low	37.7	Very low	68 Å²	68	105.4 Å²	105.4	48%	0.476	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.2	165.3	-164.2	0	0	0	0	113	L114 S116 S120	L114-S118 PolarHBondContact O-N 2.94Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.24Å; S118-S120 VanDerWaalsContact C-N 3.31Å
119	S	33.8	Very low	39.2	Very low	91 Å²	91	100.9 Å²	100.9	64%	0.636	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-19.2	170.8	81.9	0	0	0	0	112.7	T115 S116 V117 M121	T115-S119 PolarHBondContact O-N 2.82Å; S116-S119 VanDerWaalsContact C-OG 3.32Å; S116-S119 VanDerWaalsContact CA-OG 3.3Å; S116-S119 WeakPolarHBondContact CA-OG 3.32Å; S116-S119 CarbonylContact O-C 3.51Å; S116-S119 WeakPolarHBondContact O-CA 3.28Å; S116-S119 VanDerWaalsContact O-CB 3.3Å; S116-S119 WeakPolarHBondContact O-CB 3.36Å; S116-S119 PolarHBondContact O-N 2.98Å; S116-S119 PolarHBondContact O-OG 3.22Å; V117-S119 VanDerWaalsContact C-N 3.29Å; S119-M121 PolarHBondContact O-N 3.45Å
120	S	34.4	Very low	40.8	Very low	58 Å²	58	96.5 Å²	96.5	41%	0.406	51%	0.51	S	S	.	.			trans	-82.5	60.9	163.3	66.7	0	0	0	0	110.9	S116 V117 S118 D122	S116-S120 PolarHBondContact O-N 3.45Å; S116-S120 VanDerWaalsContact O-N 3.09Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 PolarHBondContact O-OG 3Å; S118-S120 VanDerWaalsContact C-N 3.31Å; S120-D122 VanDerWaalsContact CA-N 3.32Å; S120-D122 PolarHBondContact O-N 3.37Å
121	M	41.7	Very low	42.7	Very low	105 Å²	105	90.3 Å²	90.3	52%	0.517	50%	0.498	S	S	.	.			trans	-76	41.2	134.4	-63.6	-157.2	84.8	0	0	109.1	V78 S119 M123	V78-M121 HydrophobicContact CB-SD 4.34Å; V78-M121 HydrophobicContact CG1-SD 4.4Å; V78-M121 HydrophobicContact CG2-CE 3.57Å; V78-M121 HydrophobicContact CG2-SD 3.63Å; S119-M121 PolarHBondContact O-N 3.45Å; M121-M123 PolarHBondContact O-N 3.12Å
122	D	37.4	Very low	44.7	Very low	131 Å²	131	84.1 Å²	84.1	70%	0.701	48%	0.477	S	S	*	.			trans	-54.7	106.8	153.1	-82	-30.2	0	0	0	104.2	S120 D124	S120-D122 VanDerWaalsContact CA-N 3.32Å; S120-D122 PolarHBondContact O-N 3.37Å; D122-D124 VanDerWaalsContact C-N 3.34Å; D122-D124 PolarHBondContact O-N 3.47Å
123	M	43.5	Very low	47	Very low	106 Å²	106	82.4 Å²	82.4	52%	0.522	46%	0.459	S	S	.	.			trans	-29	112.6	138	-57.2	-76.9	-79.7	0	0	104.4	M121 P125 F816	M121-M123 PolarHBondContact O-N 3.12Å; M123-P125 WeakPolarHBondContact O-CD 2.88Å; M123-F816 HydrophobicContact CE-CZ 4.3Å
124	D	44.8	Very low	49.2	Very low	39 Å²	39	77.6 Å²	77.6	21%	0.209	45%	0.447	C	S	.	.			cis	65.1	13.8	48	-54	2.9	0	0	0	113.4	D122 R126 D127	D122-D124 VanDerWaalsContact C-N 3.34Å; D122-D124 PolarHBondContact O-N 3.47Å; D124-R126 HydrophobicContact CB-CB 4.14Å; D124-R126 VanDerWaalsContact CG-CB 3.42Å; D124-R126 VanDerWaalsContact CG-CD 3.43Å; D124-R126 VanDerWaalsContact CG-CG 3.43Å; D124-R126 PolarHBondContact O-N 3.19Å; D124-R126 VanDerWaalsContact OD1-CD 3.27Å; D124-R126 WeakPolarHBondContact OD1-CD 3.24Å; D124-R126 WeakPolarHBondContact OD1-CG 3.39Å; D124-R126 IonicContact OD1-CZ 3.49Å; D124-R126 IonicContact OD1-NE 2.79Å; D124-R126 PolarHBondContact OD1-NE 3.22Å; D124-R126 IonicContact OD1-NH2 2.76Å; D124-R126 PolarHBondContact OD1-NH2 2.87Å; D124-R126 WeakPolarHBondContact OD2-CB 3.47Å; D124-R126 WeakPolarHBondContact OD2-CD 3.48Å; D124-R126 WeakPolarHBondContact OD2-CG 3.29Å; D124-R126 IonicContact OD2-CZ 3.04Å; D124-R126 IonicContact OD2-NE 3.79Å; D124-R126 PolarHBondContact OD2-NE 3.11Å; D124-R126 IonicContact OD2-NH1 2.73Å; D124-R126 PolarHBondContact OD2-NH1 2.89Å; D124-R126 IonicContact OD2-NH2 3.07Å; D124-R126 PolarHBondContact OD2-NH2 3.49Å; D124-D127 PolarHBondContact O-N 3.49Å; D124-D127 VanDerWaalsContact O-N 3.11Å
125	P	47.3	Very low	51.3	Low	93 Å²	93	76 Å²	76	60%	0.604	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-58.9	-13.7	177.9	29.5	-38.2	0	0	0	111	M123 D127	M123-P125 WeakPolarHBondContact O-CD 2.88Å; P125-D127 PolarHBondContact O-N 3.4Å; P125-D127 VanDerWaalsContact O-N 3.16Å
126	R	50.5	Low	53.4	Low	124 Å²	124	72.5 Å²	72.5	47%	0.468	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-58.7	-13.1	174.1	-59.9	179.2	-118.7	148.9	36.6	114.6	D124	D124-R126 HydrophobicContact CB-CB 4.14Å; D124-R126 VanDerWaalsContact CG-CB 3.42Å; D124-R126 VanDerWaalsContact CG-CD 3.43Å; D124-R126 VanDerWaalsContact CG-CG 3.43Å; D124-R126 PolarHBondContact O-N 3.19Å; D124-R126 VanDerWaalsContact OD1-CD 3.27Å; D124-R126 WeakPolarHBondContact OD1-CD 3.24Å; D124-R126 WeakPolarHBondContact OD1-CG 3.39Å; D124-R126 IonicContact OD1-CZ 3.49Å; D124-R126 IonicContact OD1-NE 2.79Å; D124-R126 PolarHBondContact OD1-NE 3.22Å; D124-R126 IonicContact OD1-NH2 2.76Å; D124-R126 PolarHBondContact OD1-NH2 2.87Å; D124-R126 WeakPolarHBondContact OD2-CB 3.47Å; D124-R126 WeakPolarHBondContact OD2-CD 3.48Å; D124-R126 WeakPolarHBondContact OD2-CG 3.29Å; D124-R126 IonicContact OD2-CZ 3.04Å; D124-R126 IonicContact OD2-NE 3.79Å; D124-R126 PolarHBondContact OD2-NE 3.11Å; D124-R126 IonicContact OD2-NH1 2.73Å; D124-R126 PolarHBondContact OD2-NH1 2.89Å; D124-R126 IonicContact OD2-NH2 3.07Å; D124-R126 PolarHBondContact OD2-NH2 3.49Å
127	D	53.9	Low	55.7	Low	25 Å²	25	70 Å²	70	13%	0.134	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-130.2	29.2	-171.1	-143.6	7.4	0	0	0	117.7	R66 D124 P125 S132 W133	R66-D127 PolarHBondContact NH1-O 2.98Å; R66-D127 VanDerWaalsContact NH1-O 3.08Å; R66-D127 IonicContact NH1-OD1 3.49Å; R66-D127 PolarHBondContact NH1-OD1 3.39Å; R66-D127 IonicContact NH1-OD2 2.86Å; R66-D127 PolarHBondContact NH1-OD2 2.96Å; D124-D127 PolarHBondContact O-N 3.49Å; D124-D127 VanDerWaalsContact O-N 3.11Å; P125-D127 PolarHBondContact O-N 3.4Å; P125-D127 VanDerWaalsContact O-N 3.16Å; D127-S132 WeakPolarHBondContact CA-OG 3.11Å; D127-S132 PolarHBondContact O-OG 3.09Å; D127-S132 VanDerWaalsContact OD1-CB 3.29Å; D127-S132 WeakPolarHBondContact OD1-CB 3.39Å; D127-S132 PolarHBondContact OD1-OG 3.42Å; D127-W133 VanDerWaalsContact OD1-CA 3.25Å; D127-W133 WeakPolarHBondContact OD1-CA 3.43Å; D127-W133 PolarHBondContact OD1-N 3.37Å
128	T	56.8	Low	57.9	Low	115 Å²	115	72.1 Å²	72.1	71%	0.706	41%	0.406	S	S	*	.			trans	-84.5	-15.7	-179.7	58.4	0	0	0	0	115
129	G	63.4	Low	60.3	Low	32 Å²	32	77.2 Å²	77.2	33%	0.33	42%	0.415	S	S	.	.	S	Bend	trans	-78	159.6	-178.8	0	0	0	0	0	113.4	R66 C131 S132	R66-G129 PolarHBondContact NH2-O 3.01Å; G129-C131 VanDerWaalsContact C-N 3.34Å; G129-C131 PolarHBondContact O-N 3.27Å; G129-S132 PolarHBondContact N-OG 3.04Å; G129-S132 PolarHBondContact O-OG 2.89Å
130	F	64.7	Low	62.6	Low	80 Å²	80	73.2 Å²	73.2	35%	0.351	39%	0.386	S	S	.	.	S	Bend	trans	-61.4	-40.7	-178.7	-166.9	-105.2	0	0	0	112.5	F60 V64 R66	F60-F130 AromaticContact CD2-CE1 3.74Å; F60-F130 HydrophobicContact CD2-CE1 3.74Å; F60-F130 AromaticContact CD2-CZ 3.79Å; F60-F130 HydrophobicContact CD2-CZ 3.79Å; F60-F130 AromaticContact CE2-CE1 3.82Å; F60-F130 HydrophobicContact CE2-CE1 3.82Å; F60-F130 AromaticContact CE2-CZ 3.59Å; F60-F130 HydrophobicContact CE2-CZ 3.59Å; F60-F130 HydrophobicContact CZ-CZ 4.32Å; V64-F130 HydrophobicContact CG2-CE2 3.96Å; V64-F130 HydrophobicContact CG2-CZ 3.79Å; R66-F130 PolarHBondContact NH2-O 2.98Å
131	C	69.6	Low	65	Low	78 Å²	78	76.7 Å²	76.7	53%	0.527	39%	0.394	S	S	.	.	S	Bend	trans	-114.2	15.1	178.4	-59.9	0	0	0	0	114.1	G129 W133 L134	G129-C131 VanDerWaalsContact C-N 3.34Å; G129-C131 PolarHBondContact O-N 3.27Å; C131-W133 PolarHBondContact O-N 2.74Å; C131-L134 PolarHBondContact O-N 2.89Å
132	S	73.8	Confident	67.1	Low	20 Å²	20	75.6 Å²	75.6	14%	0.14	39%	0.388	C	S	.	.	H	α-helix	trans	-60.6	-28.5	-179.7	51.5	0	0	0	0	112.6	D127 G129 L134 T135 A136	D127-S132 WeakPolarHBondContact CA-OG 3.11Å; D127-S132 PolarHBondContact O-OG 3.09Å; D127-S132 VanDerWaalsContact OD1-CB 3.29Å; D127-S132 WeakPolarHBondContact OD1-CB 3.39Å; D127-S132 PolarHBondContact OD1-OG 3.42Å; G129-S132 PolarHBondContact N-OG 3.04Å; G129-S132 PolarHBondContact O-OG 2.89Å; S132-L134 PolarHBondContact O-N 2.82Å; S132-L134 VanDerWaalsContact O-N 3.16Å; S132-T135 PolarHBondContact O-N 3.08Å; S132-T135 PolarHBondContact O-OG1 2.84Å; S132-A136 PolarHBondContact O-N 3.49Å
133	W	76.1	Confident	69.4	Low	19 Å²	19	75.2 Å²	75.2	7%	0.072	38%	0.382	C	S	.	.	H	α-helix	trans	-55.9	-35.9	179.5	71.3	-93.9	0	0	0	111.8	L59 F62 S63 D127 C131 T135 A136 V137 L590 Y666	L59-W133 HydrophobicContact CD2-CH2 3.84Å; L59-W133 HydrophobicContact CD2-CZ2 3.93Å; F62-W133 HydrophobicContact CD1-CD2 4.37Å; F62-W133 AromaticContact CD1-CE2 3.91Å; F62-W133 HydrophobicContact CD1-CZ2 4.05Å; F62-W133 AromaticContact CE1-CD2 3.74Å; F62-W133 HydrophobicContact CE1-CD2 3.74Å; F62-W133 AromaticContact CE1-CE2 3.76Å; F62-W133 HydrophobicContact CE1-CE3 4.12Å; F62-W133 HydrophobicContact CE1-CG 4.08Å; F62-W133 HydrophobicContact CE1-CZ2 4.19Å; F62-W133 HydrophobicContact CE1-CZ3 4.5Å; S63-W133 PolarHBondContact OG-NE1 3.23Å; D127-W133 VanDerWaalsContact OD1-CA 3.25Å; D127-W133 WeakPolarHBondContact OD1-CA 3.43Å; D127-W133 PolarHBondContact OD1-N 3.37Å; C131-W133 PolarHBondContact O-N 2.74Å; W133-T135 VanDerWaalsContact C-N 3.33Å; W133-T135 PolarHBondContact O-N 3.2Å; W133-A136 WeakPolarHBondContact O-CB 3.48Å; W133-A136 PolarHBondContact O-N 3.4Å; W133-V137 HydrophobicContact CE3-CG2 4.41Å; W133-V137 WeakPolarHBondContact O-CG2 3.22Å; W133-V137 PolarHBondContact O-N 3.19Å; W133-V137 VanDerWaalsContact O-N 3.14Å; W133-L590 HydrophobicContact CH2-CD2 3.69Å; W133-L590 HydrophobicContact CZ2-CD2 4.38Å; W133-L590 HydrophobicContact CZ3-CD2 3.93Å; W133-Y666 HydrophobicContact CB-CE2 3.81Å; W133-Y666 HydrophobicContact CE3-CD2 4.35Å; W133-Y666 HydrophobicContact CE3-CE2 4.41Å
134	L	75.4	Confident	71.4	Confident	90 Å²	90	73 Å²	73	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-39.9	179	-173.2	68.1	0	0	0	111.5	C131 S132 F138	C131-L134 PolarHBondContact O-N 2.89Å; S132-L134 PolarHBondContact O-N 2.82Å; S132-L134 VanDerWaalsContact O-N 3.16Å; L134-F138 VanDerWaalsContact O-CD2 3.31Å; L134-F138 WeakPolarHBondContact O-CD2 3.39Å
135	T	77.9	Confident	73.3	Confident	93 Å²	93	71.3 Å²	71.3	57%	0.571	36%	0.361	S	S	*	.	H	α-helix	trans	-75.8	-30.5	176	62.7	0	0	0	0	112.4	S132 W133 V137 F138 R139	S132-T135 PolarHBondContact O-N 3.08Å; S132-T135 PolarHBondContact O-OG1 2.84Å; W133-T135 VanDerWaalsContact C-N 3.33Å; W133-T135 PolarHBondContact O-N 3.2Å; T135-V137 PolarHBondContact O-N 2.95Å; T135-F138 PolarHBondContact O-N 3.44Å; T135-R139 PolarHBondContact O-N 2.86Å
136	A	76.1	Confident	75.1	Confident	10 Å²	10	71.6 Å²	71.6	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-63.2	-40.5	177	0	0	0	0	0	111.6	S132 W133 F138 R139 I140	S132-A136 PolarHBondContact O-N 3.49Å; W133-A136 WeakPolarHBondContact O-CB 3.48Å; W133-A136 PolarHBondContact O-N 3.4Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-F138 PolarHBondContact O-N 2.81Å; A136-R139 PolarHBondContact O-N 2.86Å; A136-I140 WeakPolarHBondContact O-CG1 3.48Å; A136-I140 PolarHBondContact O-N 3.42Å; A136-I140 VanDerWaalsContact O-N 3.15Å
137	V	81.8	Confident	76.5	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-54.3	-42.2	179.1	179.3	0	0	0	0	112.8	W133 T135 R139 L662 Y666	W133-V137 HydrophobicContact CE3-CG2 4.41Å; W133-V137 WeakPolarHBondContact O-CG2 3.22Å; W133-V137 PolarHBondContact O-N 3.19Å; W133-V137 VanDerWaalsContact O-N 3.14Å; T135-V137 PolarHBondContact O-N 2.95Å; V137-R139 VanDerWaalsContact C-N 3.3Å; V137-R139 PolarHBondContact O-N 2.86Å; V137-L662 HydrophobicContact CG1-CB 4.27Å; V137-L662 HydrophobicContact CG1-CD2 3.75Å; V137-Y666 HydrophobicContact CG2-CD2 3.61Å; V137-Y666 HydrophobicContact CG2-CG 4.04Å
138	F	81.8	Confident	77.8	Confident	134 Å²	134	75.1 Å²	75.1	59%	0.588	37%	0.374	S	S	*	.	H	α-helix	trans	-76.2	-19.6	-179.5	-68.3	-74.4	0	0	0	113.2	L134 T135 A136 L662	L134-F138 VanDerWaalsContact O-CD2 3.31Å; L134-F138 WeakPolarHBondContact O-CD2 3.39Å; T135-F138 PolarHBondContact O-N 3.44Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-F138 PolarHBondContact O-N 2.81Å; F138-L662 HydrophobicContact CD1-CD2 4.26Å; F138-L662 HydrophobicContact CE1-CD1 4.5Å; F138-L662 HydrophobicContact CE1-CD2 3.54Å; F138-L662 HydrophobicContact CE2-CD2 4.35Å; F138-L662 HydrophobicContact CZ-CD1 3.89Å; F138-L662 HydrophobicContact CZ-CD2 3.59Å; F138-L662 HydrophobicContact CZ-CG 4.42Å
139	R	80.9	Confident	78.9	Confident	175 Å²	175	70.1 Å²	70.1	66%	0.66	34%	0.343	S	S	*	.	H	α-helix	trans	-92.6	-23.1	-174.6	-160.3	173.7	-179	179.2	0.1	113.7	T135 A136 V137 K141	T135-R139 PolarHBondContact O-N 2.86Å; A136-R139 PolarHBondContact O-N 2.86Å; V137-R139 VanDerWaalsContact C-N 3.3Å; V137-R139 PolarHBondContact O-N 2.86Å; R139-K141 PolarHBondContact O-N 3.46Å
140	I	83	Confident	79.8	Confident	8 Å²	8	69.8 Å²	69.8	4%	0.041	34%	0.34	C	S	.	.			trans	-60.3	129.7	177.5	-66.3	160.5	0	0	0	109.9	A136 I145 R665 Y669 Y670	A136-I140 WeakPolarHBondContact O-CG1 3.48Å; A136-I140 PolarHBondContact O-N 3.42Å; A136-I140 VanDerWaalsContact O-N 3.15Å; I140-I145 HydrophobicContact CG2-CD1 3.78Å; I140-I145 HydrophobicContact CG2-CG1 3.59Å; I140-R665 PolarHBondContact O-NH2 3.27Å; I140-Y669 HydrophobicContact CD1-CD1 3.97Å; I140-Y669 HydrophobicContact CD1-CG 3.96Å; I140-Y669 HydrophobicContact CG1-CD1 4.46Å; I140-Y669 HydrophobicContact CG2-CD2 3.8Å; I140-Y669 HydrophobicContact CG2-CE2 3.97Å; I140-Y669 HydrophobicContact CG2-CG 4.29Å; I140-Y670 HydrophobicContact CD1-CE2 3.9Å
141	K	85.9	Confident	80.7	Confident	131 Å²	131	69.6 Å²	69.6	57%	0.57	34%	0.34	S	S	*	.			trans	-87.6	152.6	178.2	-66.3	177.7	-178.2	174.8	0	112	R139 E143 E144 I145	R139-K141 PolarHBondContact O-N 3.46Å; K141-E143 VanDerWaalsContact C-N 3.25Å; K141-E143 PolarHBondContact O-N 3.02Å; K141-E144 HydrophobicContact CB-CG 4.15Å; K141-E144 PolarHBondContact O-N 3.09Å; K141-I145 PolarHBondContact O-N 3.29Å
142	E	84.9	Confident	81.6	Confident	82 Å²	82	66.3 Å²	66.3	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-34.2	177.1	-172.6	168	175.1	0	0	112	I145 R146 V154 R161	E142-I145 PolarHBondContact O-N 2.89Å; E142-R146 PolarHBondContact O-N 3.39Å; E142-V154 HydrophobicContact CG-CG1 3.89Å; E142-V154 WeakPolarHBondContact OE1-CG1 3.33Å; E142-R161 IonicContact OE1-CZ 3Å; E142-R161 IonicContact OE1-NH1 2.81Å; E142-R161 IonicContact OE1-NH2 2.69Å; E142-R161 PolarHBondContact OE1-NH2 3.26Å; E142-R161 IonicContact OE2-CZ 3.93Å; E142-R161 IonicContact OE2-NH1 3.15Å; E142-R161 PolarHBondContact OE2-NH1 3.13Å; E142-R161 IonicContact OE2-NH2 3.23Å; E142-R161 PolarHBondContact OE2-NH2 2.86Å; E142-R161 VanDerWaalsContact OE2-NH2 3.13Å
143	E	85.3	Confident	82.3	Confident	123 Å²	123	65.4 Å²	65.4	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-64.4	-40.2	175.5	-59.1	-177.6	160.6	0	0	112.1	K141 I145 R146 D147	K141-E143 VanDerWaalsContact C-N 3.25Å; K141-E143 PolarHBondContact O-N 3.02Å; E143-I145 VanDerWaalsContact C-N 3.32Å; E143-I145 PolarHBondContact O-N 3.16Å; E143-R146 WeakPolarHBondContact O-CB 3.2Å; E143-R146 PolarHBondContact O-N 3.42Å; E143-D147 VanDerWaalsContact O-CG 3.31Å; E143-D147 PolarHBondContact O-N 2.91Å
144	E	85.4	Confident	82.9	Confident	60 Å²	60	65.2 Å²	65.2	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-36.6	176.4	-65.2	170.5	-161.4	0	0	111.6	K141 K148 Y669	K141-E144 HydrophobicContact CB-CG 4.15Å; K141-E144 PolarHBondContact O-N 3.09Å; E144-K148 VanDerWaalsContact O-CB 3.29Å; E144-K148 WeakPolarHBondContact O-CB 3.11Å; E144-K148 PolarHBondContact O-N 3.25Å; E144-K148 VanDerWaalsContact O-N 3.12Å; E144-Y669 HydrophobicContact CB-CE2 4.21Å
145	I	84.9	Confident	83.5	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-41.8	174.6	-63.4	171.5	0	0	0	110.3	I140 K141 E142 E143 D147 K148 C149 A153 V154 L157 R665 Y669	I140-I145 HydrophobicContact CG2-CD1 3.78Å; I140-I145 HydrophobicContact CG2-CG1 3.59Å; K141-I145 PolarHBondContact O-N 3.29Å; E142-I145 PolarHBondContact O-N 2.89Å; E143-I145 VanDerWaalsContact C-N 3.32Å; E143-I145 PolarHBondContact O-N 3.16Å; I145-D147 PolarHBondContact O-N 3.32Å; I145-K148 PolarHBondContact O-N 3.3Å; I145-C149 HydrophobicContact CG2-CB 4.17Å; I145-C149 WeakPolarHBondContact O-CA 3.24Å; I145-C149 VanDerWaalsContact O-CB 3.25Å; I145-C149 WeakPolarHBondContact O-CB 3.5Å; I145-C149 PolarHBondContact O-N 3.27Å; I145-A153 HydrophobicContact CG2-CB 4.15Å; I145-V154 HydrophobicContact CG2-CG2 4.46Å; I145-L157 HydrophobicContact CD1-CD1 3.81Å; I145-L157 HydrophobicContact CG2-CD1 4.14Å; I145-R665 HydrophobicContact CD1-CG 3.91Å; I145-Y669 HydrophobicContact CG1-CD2 4.07Å
146	R	85.3	Confident	84.2	Confident	100 Å²	100	57.1 Å²	57.1	38%	0.377	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-48.1	177	-175	174.7	55.4	-167.1	-3	111.6	E142 E143 K148 G150 E151 V154	E142-R146 PolarHBondContact O-N 3.39Å; E143-R146 WeakPolarHBondContact O-CB 3.2Å; E143-R146 PolarHBondContact O-N 3.42Å; R146-K148 PolarHBondContact O-N 3.24Å; R146-G150 CarbonylContact O-C 3.53Å; R146-G150 VanDerWaalsContact O-CA 3.22Å; R146-G150 WeakPolarHBondContact O-CA 3.48Å; R146-G150 PolarHBondContact O-N 3.36Å; R146-E151 WeakPolarHBondContact CD-OE1 3.37Å; R146-V154 HydrophobicContact CB-CG2 3.71Å; R146-V154 HydrophobicContact CG-CG2 4.24Å
147	D	80.7	Confident	85	Confident	127 Å²	127	57 Å²	57	68%	0.679	26%	0.263	S	S	*	.	H	α-helix	trans	-70.6	-33.9	-175.1	-65.9	-11	0	0	0	111.9	E143 I145	E143-D147 VanDerWaalsContact O-CG 3.31Å; E143-D147 PolarHBondContact O-N 2.91Å; I145-D147 PolarHBondContact O-N 3.32Å
148	K	80.5	Confident	85.4	Confident	96 Å²	96	57.7 Å²	57.7	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-86.1	-46.9	-179.1	-170.7	179.3	-173.2	179.2	0	113.9	E144 I145 R146 Y669	E144-K148 VanDerWaalsContact O-CB 3.29Å; E144-K148 WeakPolarHBondContact O-CB 3.11Å; E144-K148 PolarHBondContact O-N 3.25Å; E144-K148 VanDerWaalsContact O-N 3.12Å; I145-K148 PolarHBondContact O-N 3.3Å; R146-K148 PolarHBondContact O-N 3.24Å; K148-Y669 HydrophobicContact CD-CD2 4.04Å; K148-Y669 HydrophobicContact CD-CE2 3.9Å; K148-Y669 HydrophobicContact CD-CG 4.49Å; K148-Y669 VanDerWaalsContact CE-O 3.24Å; K148-Y669 WeakPolarHBondContact CE-O 3.4Å; K148-Y669 PolarHBondContact NZ-O 3.31Å
149	C	79.8	Confident	86	Confident	10 Å²	10	51.3 Å²	51.3	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-102.8	-15.1	-169.1	-55.6	0	0	0	0	113.1	I145 A153 M668 P674	I145-C149 HydrophobicContact CG2-CB 4.17Å; I145-C149 WeakPolarHBondContact O-CA 3.24Å; I145-C149 VanDerWaalsContact O-CB 3.25Å; I145-C149 WeakPolarHBondContact O-CB 3.5Å; I145-C149 PolarHBondContact O-N 3.27Å; C149-A153 HydrophobicContact CB-CB 3.6Å; C149-M668 PolarHBondContact SG-O 3.16Å; C149-P674 WeakPolarHBondContact O-CB 3.37Å
150	G	82.7	Confident	86.6	Confident	25 Å²	25	43 Å²	43	26%	0.258	21%	0.209	S	C	.	.			trans	93.4	174.4	-177.1	0	0	0	0	0	114.2	R146 A153	R146-G150 CarbonylContact O-C 3.53Å; R146-G150 VanDerWaalsContact O-CA 3.22Å; R146-G150 WeakPolarHBondContact O-CA 3.48Å; R146-G150 PolarHBondContact O-N 3.36Å; G150-A153 WeakPolarHBondContact O-CB 3.25Å
151	E	83.8	Confident	87.1	Confident	75 Å²	75	47.3 Å²	47.3	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-67.6	-35.2	-177.6	-67.4	-69.3	172.5	0	0	113.1	R146 A153 V154 H155	R146-E151 WeakPolarHBondContact CD-OE1 3.37Å; E151-A153 PolarHBondContact O-N 3.38Å; E151-V154 WeakPolarHBondContact O-CB 3.11Å; E151-V154 PolarHBondContact O-N 3.45Å; E151-H155 PolarHBondContact O-N 3.11Å; E151-H155 PolarHBondContact O-ND1 3.04Å
152	D	86.9	Confident	87.5	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-35.2	-178.9	-62.5	-38.6	0	0	0	112.1	H155 Y156 F625 L677 H682	D152-H155 PolarHBondContact O-N 2.85Å; D152-Y156 WeakPolarHBondContact O-CB 3.15Å; D152-Y156 PolarHBondContact O-N 3.16Å; D152-F625 HydrophobicContact CB-CE1 4.4Å; D152-F625 HydrophobicContact CB-CZ 4.09Å; D152-L677 PolarHBondContact OD2-N 2.93Å; D152-H682 PolarHBondContact O-CE1 2.91Å; D152-H682 IonicContact OD1-NE2 2.68Å; D152-H682 PolarHBondContact OD1-NE2 3.17Å
153	A	88.6	Confident	88	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-44.9	174.4	0	0	0	0	0	111.9	I145 C149 G150 E151 Y156 L157 M668	I145-A153 HydrophobicContact CG2-CB 4.15Å; C149-A153 HydrophobicContact CB-CB 3.6Å; G150-A153 WeakPolarHBondContact O-CB 3.25Å; E151-A153 PolarHBondContact O-N 3.38Å; A153-Y156 PolarHBondContact O-N 3.43Å; A153-L157 WeakPolarHBondContact O-CG 3.3Å; A153-L157 PolarHBondContact O-N 3.38Å; A153-M668 HydrophobicContact CB-CE 3.2Å
154	V	89.2	Confident	88.5	Confident	14 Å²	14	33.6 Å²	33.6	9%	0.085	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-42.5	178.3	179.8	0	0	0	0	110.6	E142 I145 R146 E151 Y156 L157 S158	E142-V154 HydrophobicContact CG-CG1 3.89Å; E142-V154 WeakPolarHBondContact OE1-CG1 3.33Å; I145-V154 HydrophobicContact CG2-CG2 4.46Å; R146-V154 HydrophobicContact CB-CG2 3.71Å; R146-V154 HydrophobicContact CG-CG2 4.24Å; E151-V154 WeakPolarHBondContact O-CB 3.11Å; E151-V154 PolarHBondContact O-N 3.45Å; V154-Y156 VanDerWaalsContact C-N 3.35Å; V154-Y156 PolarHBondContact O-N 2.86Å; V154-L157 PolarHBondContact O-N 2.59Å; V154-S158 WeakPolarHBondContact O-CB 3.21Å; V154-S158 PolarHBondContact O-N 2.9Å
155	H	89.1	Confident	89	Confident	13 Å²	13	32.6 Å²	32.6	6%	0.06	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-42.8	175.5	-71.8	138.8	0	0	0	112.3	E151 D152 S158 F159 M235 Y237	E151-H155 PolarHBondContact O-N 3.11Å; E151-H155 PolarHBondContact O-ND1 3.04Å; D152-H155 PolarHBondContact O-N 2.85Å; H155-S158 PolarHBondContact O-N 3.09Å; H155-F159 WeakPolarHBondContact O-CB 3.3Å; H155-F159 PolarHBondContact O-N 2.9Å; H155-M235 HydrophobicContact CB-CE 3.85Å; H155-Y237 AromaticContact CE1-CE1 3.69Å; H155-Y237 AromaticContact CE1-CE2 3.64Å; H155-Y237 AromaticContact CE1-CZ 3.39Å; H155-Y237 AromaticContact ND1-CE1 3.84Å; H155-Y237 AromaticContact ND1-CE2 3.98Å; H155-Y237 AromaticContact ND1-CZ 3.4Å; H155-Y237 PolarHBondContact ND1-OH 2.87Å; H155-Y237 VanDerWaalsContact ND1-OH 3.16Å
156	Y	91.8	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-48.4	174.8	179.6	-95.1	0	0	0	112.7	D152 A153 V154 S158 F159 Q160 F623 F625 A628 Y629 M632 D664 M668	D152-Y156 WeakPolarHBondContact O-CB 3.15Å; D152-Y156 PolarHBondContact O-N 3.16Å; A153-Y156 PolarHBondContact O-N 3.43Å; V154-Y156 VanDerWaalsContact C-N 3.35Å; V154-Y156 PolarHBondContact O-N 2.86Å; Y156-S158 VanDerWaalsContact C-N 3.33Å; Y156-S158 PolarHBondContact O-N 2.92Å; Y156-F159 WeakPolarHBondContact O-CB 3.42Å; Y156-F159 PolarHBondContact O-N 3.13Å; Y156-Q160 HydrophobicContact CE1-CG 4.45Å; Y156-Q160 PolarHBondContact O-N 3.33Å; Y156-Q160 VanDerWaalsContact O-N 3.13Å; Y156-Q160 PolarHBondContact OH-NE2 2.94Å; Y156-F623 HydrophobicContact CD1-CE1 4.32Å; Y156-F623 HydrophobicContact CE1-CE1 4.15Å; Y156-F623 HydrophobicContact CE1-CZ 4.04Å; Y156-F623 HydrophobicContact CE2-CE1 4.43Å; Y156-F625 AromaticContact CD2-CD1 3.94Å; Y156-F625 HydrophobicContact CD2-CD1 3.94Å; Y156-F625 HydrophobicContact CD2-CE1 4.36Å; Y156-F625 HydrophobicContact CG-CD1 4.14Å; Y156-F625 HydrophobicContact CG-CE1 4.09Å; Y156-A628 HydrophobicContact CE2-CB 4.17Å; Y156-Y629 WeakPolarHBondContact CA-OH 3.32Å; Y156-Y629 HydrophobicContact CD2-CD1 4.1Å; Y156-Y629 HydrophobicContact CD2-CD2 4.1Å; Y156-Y629 AromaticContact CD2-CE1 3.61Å; Y156-Y629 HydrophobicContact CD2-CE1 3.61Å; Y156-Y629 AromaticContact CD2-CE2 3.61Å; Y156-Y629 HydrophobicContact CD2-CE2 3.61Å; Y156-Y629 HydrophobicContact CD2-CG 4.31Å; Y156-Y629 AromaticContact CD2-CZ 3.34Å; Y156-Y629 AromaticContact CE2-CD1 3.93Å; Y156-Y629 HydrophobicContact CE2-CD1 3.93Å; Y156-Y629 HydrophobicContact CE2-CD2 4.2Å; Y156-Y629 AromaticContact CE2-CE1 3.9Å; Y156-Y629 HydrophobicContact CE2-CE1 3.9Å; Y156-Y629 HydrophobicContact CE2-CE2 4.18Å; Y156-Y629 HydrophobicContact CE2-CG 4.06Å; Y156-M632 HydrophobicContact CE2-CE 3.89Å; Y156-D664 HydrophobicContact CE1-CB 4.19Å; Y156-D664 PolarHBondContact OH-OD2 3.08Å; Y156-M668 HydrophobicContact CD1-CE 4.39Å; Y156-M668 HydrophobicContact CD1-SD 3.93Å; Y156-M668 HydrophobicContact CE1-SD 4.34Å
157	L	92.2	Very high	90	Very high	9 Å²	9	28 Å²	28	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-33.1	177.7	-66.6	175.9	0	0	0	112.3	I145 A153 V154 R161 R665 M668	I145-L157 HydrophobicContact CD1-CD1 3.81Å; I145-L157 HydrophobicContact CG2-CD1 4.14Å; A153-L157 WeakPolarHBondContact O-CG 3.3Å; A153-L157 PolarHBondContact O-N 3.38Å; V154-L157 PolarHBondContact O-N 2.59Å; L157-R161 WeakPolarHBondContact O-CG 3.06Å; L157-R161 PolarHBondContact O-N 3.11Å; L157-R665 HydrophobicContact CD1-CG 4.35Å; L157-R665 HydrophobicContact CD2-CB 4.17Å; L157-M668 HydrophobicContact CD2-SD 4.18Å; L157-M668 HydrophobicContact CG-SD 4.33Å
158	S	91.4	Very high	90.8	Very high	17 Å²	17	25.2 Å²	25.2	12%	0.119	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-42.7	171.5	-176.7	0	0	0	0	111.5	V154 H155 Y156 Q160 R161 H162	V154-S158 WeakPolarHBondContact O-CB 3.21Å; V154-S158 PolarHBondContact O-N 2.9Å; H155-S158 PolarHBondContact O-N 3.09Å; Y156-S158 VanDerWaalsContact C-N 3.33Å; Y156-S158 PolarHBondContact O-N 2.92Å; S158-Q160 PolarHBondContact O-N 3.16Å; S158-R161 PolarHBondContact O-N 3.45Å; S158-H162 PolarHBondContact O-N 3.1Å; S158-H162 PolarHBondContact O-ND1 3.14Å
159	F	92.8	Very high	91.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-47.1	176.5	176.6	-96.7	0	0	0	111.6	H155 Y156 R161 H162 I163 M228 H231 Y629 M632 M633 A685 V686 V689	H155-F159 WeakPolarHBondContact O-CB 3.3Å; H155-F159 PolarHBondContact O-N 2.9Å; Y156-F159 WeakPolarHBondContact O-CB 3.42Å; Y156-F159 PolarHBondContact O-N 3.13Å; F159-R161 VanDerWaalsContact C-N 3.35Å; F159-R161 PolarHBondContact O-N 3.12Å; F159-H162 PolarHBondContact O-N 2.62Å; F159-H162 VanDerWaalsContact O-N 3.15Å; F159-I163 HydrophobicContact CD1-CD1 3.78Å; F159-I163 HydrophobicContact CE1-CD1 3.24Å; F159-I163 HydrophobicContact CE1-CG1 4.33Å; F159-I163 HydrophobicContact CE2-CD1 4.31Å; F159-I163 HydrophobicContact CZ-CD1 3.6Å; F159-I163 PolarHBondContact O-N 2.9Å; F159-I163 VanDerWaalsContact O-N 3.1Å; F159-M228 HydrophobicContact CE2-SD 4.07Å; F159-H231 WeakPolarHBondContact CA-CE1 3.34Å; F159-H231 AromaticContact CD2-CD2 3.82Å; F159-H231 AromaticContact CD2-NE2 3.61Å; F159-H231 PolarHBondContact N-CE1 3.26Å; F159-H231 VanDerWaalsContact N-CE1 3.26Å; F159-Y629 HydrophobicContact CB-CE1 4.45Å; F159-Y629 HydrophobicContact CD1-CD1 4.13Å; F159-Y629 AromaticContact CD1-CE1 3.61Å; F159-Y629 HydrophobicContact CD1-CE1 3.61Å; F159-Y629 AromaticContact CE1-CD1 3.85Å; F159-Y629 HydrophobicContact CE1-CD1 3.85Å; F159-Y629 AromaticContact CE1-CE1 3.76Å; F159-Y629 HydrophobicContact CE1-CE1 3.76Å; F159-Y629 AromaticContact CG-CE1 3.99Å; F159-Y629 HydrophobicContact CG-CE1 3.99Å; F159-Y629 HydrophobicContact CZ-CD1 4.34Å; F159-Y629 HydrophobicContact CZ-CE1 4.26Å; F159-M632 HydrophobicContact CD1-CE 3.62Å; F159-M632 HydrophobicContact CD1-SD 4.31Å; F159-M632 HydrophobicContact CE1-CE 3.42Å; F159-M632 VanDerWaalsContact CE1-CE 3.42Å; F159-M632 HydrophobicContact CE1-SD 4.28Å; F159-M633 HydrophobicContact CE1-CG 4.44Å; F159-M633 HydrophobicContact CZ-CG 4.32Å; F159-M633 HydrophobicContact CZ-SD 4.26Å; F159-A685 HydrophobicContact CE2-CB 4.34Å; F159-A685 HydrophobicContact CZ-CB 4.19Å; F159-V686 HydrophobicContact CD2-CG2 4.28Å; F159-V686 HydrophobicContact CE2-CG2 4.12Å; F159-V689 HydrophobicContact CE1-CG2 4.43Å; F159-V689 HydrophobicContact CE2-CG2 4.07Å; F159-V689 HydrophobicContact CZ-CG2 3.46Å; F159-V689 VanDerWaalsContact CZ-CG2 3.46Å
160	Q	94.8	Very high	92.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55.4	-45.9	174.8	-75.7	-179.7	-15.7	0	0	112.8	Y156 S158 H162 I163 I164 M632 H661 D664	Y156-Q160 HydrophobicContact CE1-CG 4.45Å; Y156-Q160 PolarHBondContact O-N 3.33Å; Y156-Q160 VanDerWaalsContact O-N 3.13Å; Y156-Q160 PolarHBondContact OH-NE2 2.94Å; S158-Q160 PolarHBondContact O-N 3.16Å; Q160-H162 VanDerWaalsContact C-N 3.31Å; Q160-H162 PolarHBondContact O-N 3.15Å; Q160-I163 PolarHBondContact O-N 2.96Å; Q160-I164 WeakPolarHBondContact O-CG1 3.49Å; Q160-I164 PolarHBondContact O-N 3.32Å; Q160-M632 HydrophobicContact CG-CE 4.34Å; Q160-M632 HydrophobicContact CG-SD 3.45Å; Q160-M632 WeakPolarHBondContact CG-SD 3.25Å; Q160-H661 PolarHBondContact OE1-ND1 2.63Å; Q160-D664 PolarHBondContact NE2-OD2 3.41Å
161	R	93.9	Very high	92.9	Very high	98 Å²	98	22.6 Å²	22.6	37%	0.37	13%	0.128	S	C	.	.	H	α-helix	trans	-59.7	-38.8	177.8	-73	-179	-69	177.4	-2.2	112.7	E142 L157 S158 F159 I164 G165	E142-R161 IonicContact OE1-CZ 3Å; E142-R161 IonicContact OE1-NH1 2.81Å; E142-R161 IonicContact OE1-NH2 2.69Å; E142-R161 PolarHBondContact OE1-NH2 3.26Å; E142-R161 IonicContact OE2-CZ 3.93Å; E142-R161 IonicContact OE2-NH1 3.15Å; E142-R161 PolarHBondContact OE2-NH1 3.13Å; E142-R161 IonicContact OE2-NH2 3.23Å; E142-R161 PolarHBondContact OE2-NH2 2.86Å; E142-R161 VanDerWaalsContact OE2-NH2 3.13Å; L157-R161 WeakPolarHBondContact O-CG 3.06Å; L157-R161 PolarHBondContact O-N 3.11Å; S158-R161 PolarHBondContact O-N 3.45Å; F159-R161 VanDerWaalsContact C-N 3.35Å; F159-R161 PolarHBondContact O-N 3.12Å; R161-I164 PolarHBondContact O-N 3.44Å; R161-G165 PolarHBondContact O-N 3.46Å
162	H	93.6	Very high	93.5	Very high	27 Å²	27	23.8 Å²	23.8	13%	0.125	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-34.7	177.9	-70.9	80.9	0	0	0	112.2	S158 F159 Q160 L166 S227 M228 H231	S158-H162 PolarHBondContact O-N 3.1Å; S158-H162 PolarHBondContact O-ND1 3.14Å; F159-H162 PolarHBondContact O-N 2.62Å; F159-H162 VanDerWaalsContact O-N 3.15Å; Q160-H162 VanDerWaalsContact C-N 3.31Å; Q160-H162 PolarHBondContact O-N 3.15Å; H162-L166 WeakPolarHBondContact O-CB 3.32Å; H162-L166 PolarHBondContact O-N 2.71Å; H162-S227 PolarHBondContact O-OG 2.88Å; H162-M228 HydrophobicContact CB-CE 4.45Å; H162-H231 HydrophobicContact CB-CB 4.25Å; H162-H231 AromaticContact CE1-ND1 3.72Å; H162-H231 AromaticContact ND1-ND1 3.44Å; H162-H231 PolarHBondContact ND1-ND1 3.27Å
163	I	94.8	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.8	-42.3	172.7	-65.9	179.9	0	0	0	111.3	F159 Q160 G165 L166 L167 M228 F636 M657 V689	F159-I163 HydrophobicContact CD1-CD1 3.78Å; F159-I163 HydrophobicContact CE1-CD1 3.24Å; F159-I163 HydrophobicContact CE1-CG1 4.33Å; F159-I163 HydrophobicContact CE2-CD1 4.31Å; F159-I163 HydrophobicContact CZ-CD1 3.6Å; F159-I163 PolarHBondContact O-N 2.9Å; F159-I163 VanDerWaalsContact O-N 3.1Å; Q160-I163 PolarHBondContact O-N 2.96Å; I163-G165 VanDerWaalsContact C-N 3.34Å; I163-G165 PolarHBondContact O-N 2.96Å; I163-L166 WeakPolarHBondContact O-CB 3.2Å; I163-L166 PolarHBondContact O-N 3.37Å; I163-L167 HydrophobicContact CG2-CD1 4.27Å; I163-L167 HydrophobicContact CG2-CG 4.45Å; I163-L167 PolarHBondContact O-N 2.66Å; I163-M228 HydrophobicContact CG1-CE 4.21Å; I163-F636 HydrophobicContact CG2-CD2 3.45Å; I163-F636 VanDerWaalsContact CG2-CD2 3.45Å; I163-F636 HydrophobicContact CG2-CE2 3.75Å; I163-F636 HydrophobicContact CG2-CG 4.15Å; I163-M657 HydrophobicContact CB-CE 3.85Å; I163-M657 HydrophobicContact CD1-CE 4.37Å; I163-M657 HydrophobicContact CG2-CE 3.48Å; I163-M657 VanDerWaalsContact CG2-CE 3.48Å; I163-M657 HydrophobicContact CG2-CG 4.34Å; I163-M657 HydrophobicContact CG2-SD 4.26Å; I163-V689 HydrophobicContact CD1-CG2 4.31Å
164	I	96.4	Very high	94.1	Very high	22 Å²	22	25 Å²	25	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-48.9	174.7	-69.6	162.5	0	0	0	109.8	Q160 R161 L166 L167 V168 L654 M657 L658 H661	Q160-I164 WeakPolarHBondContact O-CG1 3.49Å; Q160-I164 PolarHBondContact O-N 3.32Å; R161-I164 PolarHBondContact O-N 3.44Å; I164-L166 VanDerWaalsContact C-N 3.29Å; I164-L166 PolarHBondContact O-N 3.31Å; I164-L167 PolarHBondContact O-N 3.45Å; I164-V168 WeakPolarHBondContact O-CG2 3.39Å; I164-V168 PolarHBondContact O-N 3.16Å; I164-L654 HydrophobicContact CG2-CD1 4.07Å; I164-M657 HydrophobicContact CG1-CB 3.79Å; I164-L658 HydrophobicContact CD1-CD2 4.25Å; I164-L658 HydrophobicContact CG2-CD2 3.89Å; I164-H661 HydrophobicContact CD1-CB 3.82Å
165	G	95.9	Very high	94.3	Very high	39 Å²	39	26.9 Å²	26.9	40%	0.402	16%	0.158	S	C	.	.	H	α-helix	trans	-58.5	-39.9	176.4	0	0	0	0	0	113	R161 I163 V169	R161-G165 PolarHBondContact O-N 3.46Å; I163-G165 VanDerWaalsContact C-N 3.34Å; I163-G165 PolarHBondContact O-N 2.96Å; G165-V169 WeakPolarHBondContact O-CG2 3.2Å; G165-V169 PolarHBondContact O-N 3.25Å
166	L	95.7	Very high	94.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-47.3	174.3	176	62.6	0	0	0	112	H162 I163 I164 V168 V169 V170 L223 T224 F636	H162-L166 WeakPolarHBondContact O-CB 3.32Å; H162-L166 PolarHBondContact O-N 2.71Å; I163-L166 WeakPolarHBondContact O-CB 3.2Å; I163-L166 PolarHBondContact O-N 3.37Å; I164-L166 VanDerWaalsContact C-N 3.29Å; I164-L166 PolarHBondContact O-N 3.31Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 2.77Å; L166-V169 PolarHBondContact O-N 3.37Å; L166-V170 HydrophobicContact CD1-CG2 4.26Å; L166-V170 WeakPolarHBondContact O-CG2 3.44Å; L166-V170 PolarHBondContact O-N 3.48Å; L166-L223 HydrophobicContact CD1-CB 4.12Å; L166-L223 HydrophobicContact CD1-CD2 3.52Å; L166-L223 HydrophobicContact CD1-CG 3.46Å; L166-L223 VanDerWaalsContact CD1-CG 3.46Å; L166-T224 HydrophobicContact CD2-CG2 4.01Å; L166-F636 HydrophobicContact CD2-CE2 4.03Å; L166-F636 HydrophobicContact CD2-CZ 3.61Å
167	L	95.9	Very high	94.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-31.5	178.7	-78.6	177	0	0	0	113.2	I163 I164 G171 F636 V639 M640 V650 L654 M657	I163-L167 HydrophobicContact CG2-CD1 4.27Å; I163-L167 HydrophobicContact CG2-CG 4.45Å; I163-L167 PolarHBondContact O-N 2.66Å; I164-L167 PolarHBondContact O-N 3.45Å; L167-G171 WeakPolarHBondContact O-CA 3.13Å; L167-G171 PolarHBondContact O-N 3.16Å; L167-F636 HydrophobicContact CD1-CD2 4.23Å; L167-F636 HydrophobicContact CD2-CD2 4.1Å; L167-F636 HydrophobicContact CD2-CE2 3.95Å; L167-F636 HydrophobicContact CG-CD2 4.12Å; L167-F636 HydrophobicContact CG-CE2 4.03Å; L167-V639 HydrophobicContact CD2-CG1 3.81Å; L167-M640 HydrophobicContact CD2-SD 4.37Å; L167-V650 HydrophobicContact CD2-CG1 4.43Å; L167-L654 HydrophobicContact CB-CD1 4.1Å; L167-M657 HydrophobicContact CD1-CB 4.16Å; L167-M657 HydrophobicContact CD1-CG 3.46Å; L167-M657 VanDerWaalsContact CD1-CG 3.46Å
168	V	97.1	Very high	94.5	Very high	68 Å²	68	31.5 Å²	31.5	41%	0.412	19%	0.194	S	C	.	.	H	α-helix	trans	-62.2	-48.5	173	169.9	0	0	0	0	110.2	I164 L166 G171 V172 L654	I164-V168 WeakPolarHBondContact O-CG2 3.39Å; I164-V168 PolarHBondContact O-N 3.16Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 2.77Å; V168-G171 PolarHBondContact O-N 3.22Å; V168-V172 WeakPolarHBondContact O-CG2 3.47Å; V168-V172 PolarHBondContact O-N 3.3Å; V168-L654 HydrophobicContact CG2-CD1 3.7Å; V168-L654 HydrophobicContact CG2-CD2 4Å
169	V	96.6	Very high	94.5	Very high	64 Å²	64	31.9 Å²	31.9	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-47	179.1	177.5	0	0	0	0	110.7	G165 L166 G171 V172 L173 L223	G165-V169 WeakPolarHBondContact O-CG2 3.2Å; G165-V169 PolarHBondContact O-N 3.25Å; L166-V169 PolarHBondContact O-N 3.37Å; V169-G171 VanDerWaalsContact C-N 3.28Å; V169-G171 PolarHBondContact O-N 2.82Å; V169-V172 PolarHBondContact O-N 3.47Å; V169-L173 HydrophobicContact CG1-CD1 4.18Å; V169-L173 WeakPolarHBondContact O-CG 3.28Å; V169-L173 PolarHBondContact O-N 3.38Å; V169-L173 VanDerWaalsContact O-N 3.14Å; V169-L223 HydrophobicContact CB-CD2 3.85Å; V169-L223 HydrophobicContact CG1-CD1 4.2Å; V169-L223 HydrophobicContact CG1-CD2 3.44Å; V169-L223 VanDerWaalsContact CG1-CD2 3.44Å; V169-L223 HydrophobicContact CG1-CG 4.47Å
170	V	95.4	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-39.5	175	169	0	0	0	0	111.3	L166 L173 S174 Y220 L223 M640 V650	L166-V170 HydrophobicContact CD1-CG2 4.26Å; L166-V170 WeakPolarHBondContact O-CG2 3.44Å; L166-V170 PolarHBondContact O-N 3.48Å; V170-L173 PolarHBondContact O-N 3.48Å; V170-S174 VanDerWaalsContact O-CB 3.27Å; V170-S174 WeakPolarHBondContact O-CB 3.4Å; V170-S174 PolarHBondContact O-N 3.38Å; V170-S174 PolarHBondContact O-OG 2.92Å; V170-Y220 HydrophobicContact CB-CE1 4.47Å; V170-Y220 HydrophobicContact CG1-CD2 4.14Å; V170-Y220 HydrophobicContact CG1-CE1 4.31Å; V170-Y220 HydrophobicContact CG1-CE2 3.6Å; V170-Y220 HydrophobicContact CG2-CD1 4.08Å; V170-Y220 HydrophobicContact CG2-CD2 4.42Å; V170-Y220 HydrophobicContact CG2-CE1 4.15Å; V170-Y220 HydrophobicContact CG2-CE2 4.48Å; V170-Y220 HydrophobicContact CG2-CG 4.23Å; V170-Y220 PolarHBondContact O-OH 2.89Å; V170-L223 HydrophobicContact CG2-CD2 4.06Å; V170-M640 HydrophobicContact CG1-SD 4.29Å; V170-M640 HydrophobicContact CG2-CE 4.33Å; V170-M640 HydrophobicContact CG2-SD 4.31Å; V170-V650 HydrophobicContact CG1-CG1 4.13Å; V170-V650 HydrophobicContact CG1-CG2 4.38Å
171	G	95	Very high	94.2	Very high	13 Å²	13	36.2 Å²	36.2	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-44.4	178.3	0	0	0	0	0	112.9	L167 V168 V169 L173 V175 V650	L167-G171 WeakPolarHBondContact O-CA 3.13Å; L167-G171 PolarHBondContact O-N 3.16Å; V168-G171 PolarHBondContact O-N 3.22Å; V169-G171 VanDerWaalsContact C-N 3.28Å; V169-G171 PolarHBondContact O-N 2.82Å; G171-L173 VanDerWaalsContact C-N 3.32Å; G171-L173 PolarHBondContact O-N 3.29Å; G171-V175 VanDerWaalsContact O-CB 3.32Å; G171-V175 WeakPolarHBondContact O-CB 3.34Å; G171-V175 WeakPolarHBondContact O-CG2 3.27Å; G171-V175 PolarHBondContact O-N 3.07Å; G171-V650 VanDerWaalsContact CA-CG1 3.45Å
172	V	95.8	Very high	93.9	Very high	100 Å²	100	31.5 Å²	31.5	61%	0.606	21%	0.205	S	C	*	.	H	α-helix	trans	-61.8	-42	175.5	172.9	0	0	0	0	111	V168 V169 G176	V168-V172 WeakPolarHBondContact O-CG2 3.47Å; V168-V172 PolarHBondContact O-N 3.3Å; V169-V172 PolarHBondContact O-N 3.47Å; V172-G176 VanDerWaalsContact O-CA 3.22Å; V172-G176 WeakPolarHBondContact O-CA 2.98Å; V172-G176 PolarHBondContact O-N 2.95Å
173	L	95.2	Very high	93.5	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.188	22%	0.222	C	C	.	.	H	α-helix	trans	-71.4	-45.8	179.8	-63.7	176	0	0	0	112.2	V169 V170 G171 I177 I178 F216 L219 Y220	V169-L173 HydrophobicContact CG1-CD1 4.18Å; V169-L173 WeakPolarHBondContact O-CG 3.28Å; V169-L173 PolarHBondContact O-N 3.38Å; V169-L173 VanDerWaalsContact O-N 3.14Å; V170-L173 PolarHBondContact O-N 3.48Å; G171-L173 VanDerWaalsContact C-N 3.32Å; G171-L173 PolarHBondContact O-N 3.29Å; L173-I177 HydrophobicContact CD2-CD1 4.11Å; L173-I177 WeakPolarHBondContact O-CB 3.17Å; L173-I177 PolarHBondContact O-N 2.8Å; L173-I177 VanDerWaalsContact O-N 3.07Å; L173-I178 PolarHBondContact O-N 2.96Å; L173-F216 HydrophobicContact CB-CD1 4.15Å; L173-F216 HydrophobicContact CB-CE1 3.81Å; L173-F216 HydrophobicContact CD1-CD1 4.48Å; L173-F216 HydrophobicContact CD1-CE1 4.23Å; L173-F216 HydrophobicContact CD2-CE1 3.98Å; L173-F216 HydrophobicContact CG-CE1 4.19Å; L173-L219 HydrophobicContact CD1-CD2 3.89Å; L173-Y220 HydrophobicContact CB-CE1 4.03Å; L173-Y220 HydrophobicContact CD1-CE1 3.87Å
174	S	93.3	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-66.5	-50.2	179.4	-81.2	0	0	0	0	112.2	V170 I178 L179 Y220 S643	V170-S174 VanDerWaalsContact O-CB 3.27Å; V170-S174 WeakPolarHBondContact O-CB 3.4Å; V170-S174 PolarHBondContact O-N 3.38Å; V170-S174 PolarHBondContact O-OG 2.92Å; S174-I178 WeakPolarHBondContact O-CB 3.49Å; S174-I178 PolarHBondContact O-N 3.37Å; S174-L179 PolarHBondContact O-N 2.75Å; S174-Y220 PolarHBondContact N-OH 3.13Å; S174-Y220 PolarHBondContact OG-OH 2.71Å; S174-S643 PolarHBondContact OG-O 2.97Å
175	V	93.6	Very high	92.3	Very high	53 Å²	53	38.1 Å²	38.1	32%	0.321	24%	0.244	S	C	.	.	I	π-helix	trans	-80.7	-34.6	-176.9	-179.9	0	0	0	0	111.7	G171 L179 P180 P651	G171-V175 VanDerWaalsContact O-CB 3.32Å; G171-V175 WeakPolarHBondContact O-CB 3.34Å; G171-V175 WeakPolarHBondContact O-CG2 3.27Å; G171-V175 PolarHBondContact O-N 3.07Å; V175-L179 HydrophobicContact CG1-CD2 4.09Å; V175-P180 VanDerWaalsContact O-CD 3.31Å; V175-P180 WeakPolarHBondContact O-CD 3.33Å; V175-P651 HydrophobicContact CG2-CG 3.68Å
176	G	92.7	Very high	91.4	Very high	51 Å²	51	42.4 Å²	42.4	53%	0.526	26%	0.257	S	S	.	.	I	π-helix	trans	-79.3	-29.4	-177.8	0	0	0	0	0	114.4	V172	V172-G176 VanDerWaalsContact O-CA 3.22Å; V172-G176 WeakPolarHBondContact O-CA 2.98Å; V172-G176 PolarHBondContact O-N 2.95Å
177	I	93.3	Very high	90.2	Very high	68 Å²	68	45.8 Å²	45.8	35%	0.349	28%	0.275	S	S	.	.	I	π-helix	trans	-119.9	-55.3	-174.6	-53.7	173.5	0	0	0	111.2	L173 P180 V181 L212 F216	L173-I177 HydrophobicContact CD2-CD1 4.11Å; L173-I177 WeakPolarHBondContact O-CB 3.17Å; L173-I177 PolarHBondContact O-N 2.8Å; L173-I177 VanDerWaalsContact O-N 3.07Å; I177-P180 WeakPolarHBondContact O-CD 3.18Å; I177-V181 VanDerWaalsContact O-CG2 3.23Å; I177-V181 WeakPolarHBondContact O-CG2 3.47Å; I177-V181 PolarHBondContact O-N 3.45Å; I177-L212 HydrophobicContact CG2-CD1 4.21Å; I177-L212 HydrophobicContact CG2-CD2 4.29Å; I177-F216 HydrophobicContact CB-CZ 4.27Å; I177-F216 HydrophobicContact CD1-CE1 4.18Å; I177-F216 HydrophobicContact CD1-CZ 3.67Å; I177-F216 HydrophobicContact CG2-CE2 4.13Å; I177-F216 HydrophobicContact CG2-CZ 4Å
178	I	91.7	Very high	89	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-68	-42.2	-173	-54.5	-180	0	0	0	111.4	L173 S174 V181 N182 L212 F216 I644 P647	L173-I178 PolarHBondContact O-N 2.96Å; S174-I178 WeakPolarHBondContact O-CB 3.49Å; S174-I178 PolarHBondContact O-N 3.37Å; I178-V181 WeakPolarHBondContact O-CB 3.24Å; I178-V181 PolarHBondContact O-N 2.94Å; I178-N182 PolarHBondContact O-N 3.43Å; I178-L212 HydrophobicContact CG1-CD2 4.14Å; I178-F216 HydrophobicContact CD1-CB 4.05Å; I178-F216 HydrophobicContact CD1-CD1 4.4Å; I178-F216 HydrophobicContact CD1-CG 4.13Å; I178-F216 HydrophobicContact CG1-CG 4.43Å; I178-I644 HydrophobicContact CD1-CG1 4.06Å; I178-I644 HydrophobicContact CD1-CG2 4.48Å; I178-P647 HydrophobicContact CB-CG 4.03Å; I178-P647 HydrophobicContact CG2-CG 3.65Å
179	L	90.5	Very high	87.2	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.131	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-48.6	-178.3	179.5	68.9	0	0	0	113.2	S174 V175 V181 N182 F183 T198 P647 I648	S174-L179 PolarHBondContact O-N 2.75Å; V175-L179 HydrophobicContact CG1-CD2 4.09Å; L179-V181 VanDerWaalsContact C-N 3.27Å; L179-V181 PolarHBondContact O-N 3.38Å; L179-N182 PolarHBondContact O-N 3.23Å; L179-F183 HydrophobicContact CD1-CD2 4.11Å; L179-F183 HydrophobicContact CD1-CE2 3.69Å; L179-F183 HydrophobicContact CD1-CZ 4.47Å; L179-F183 HydrophobicContact CD2-CE2 4.24Å; L179-F183 HydrophobicContact CG-CD2 4Å; L179-F183 HydrophobicContact CG-CE2 3.75Å; L179-F183 VanDerWaalsContact O-CD2 3.31Å; L179-F183 WeakPolarHBondContact O-CD2 3.33Å; L179-F183 PolarHBondContact O-N 2.83Å; L179-T198 HydrophobicContact CD1-CG2 4.5Å; L179-P647 HydrophobicContact CB-CB 4.03Å; L179-P647 HydrophobicContact CB-CG 4.34Å; L179-I648 HydrophobicContact CD1-CD1 4.35Å; L179-I648 HydrophobicContact CD1-CG1 4.07Å; L179-I648 HydrophobicContact CD2-CG1 4.45Å
180	P	91.5	Very high	85.4	Confident	69 Å²	69	55.3 Å²	55.3	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-37.9	171.9	-27.5	34.7	0	0	0	113.5	V175 I177 F183 S184	V175-P180 VanDerWaalsContact O-CD 3.31Å; V175-P180 WeakPolarHBondContact O-CD 3.33Å; I177-P180 WeakPolarHBondContact O-CD 3.18Å; P180-F183 PolarHBondContact O-N 3.45Å; P180-S184 PolarHBondContact O-N 3.4Å; P180-S184 VanDerWaalsContact O-N 3.11Å
181	V	89.9	Confident	83.8	Confident	22 Å²	22	59.4 Å²	59.4	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-43.5	175.5	169.3	0	0	0	0	110.6	I177 I178 L179 F183 S184 L203 L209 L212	I177-V181 VanDerWaalsContact O-CG2 3.23Å; I177-V181 WeakPolarHBondContact O-CG2 3.47Å; I177-V181 PolarHBondContact O-N 3.45Å; I178-V181 WeakPolarHBondContact O-CB 3.24Å; I178-V181 PolarHBondContact O-N 2.94Å; L179-V181 VanDerWaalsContact C-N 3.27Å; L179-V181 PolarHBondContact O-N 3.38Å; V181-F183 VanDerWaalsContact C-N 3.33Å; V181-F183 PolarHBondContact O-N 3.05Å; V181-S184 WeakPolarHBondContact O-CB 3.46Å; V181-S184 PolarHBondContact O-N 2.94Å; V181-S184 VanDerWaalsContact O-N 3.15Å; V181-S184 PolarHBondContact O-OG 2.87Å; V181-L203 HydrophobicContact CG1-CD1 4.2Å; V181-L209 HydrophobicContact CG1-CB 4.02Å; V181-L209 HydrophobicContact CG1-CD1 4.21Å; V181-L209 HydrophobicContact CG1-CD2 4.27Å; V181-L209 HydrophobicContact CG1-CG 4.39Å; V181-L212 HydrophobicContact CG2-CD1 4.37Å
182	N	87.6	Confident	82	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.8	-39.9	175.5	-70.1	-12.7	0	0	0	112.5	I178 L179 S184 G185 T198 I200 N202 H213	I178-N182 PolarHBondContact O-N 3.43Å; L179-N182 PolarHBondContact O-N 3.23Å; N182-S184 VanDerWaalsContact C-N 3.25Å; N182-S184 PolarHBondContact O-N 3.43Å; N182-G185 PolarHBondContact O-N 3.25Å; N182-T198 PolarHBondContact ND2-O 3.26Å; N182-T198 VanDerWaalsContact ND2-O 3.08Å; N182-I200 PolarHBondContact ND2-N 2.92Å; N182-N202 PolarHBondContact O-ND2 2.92Å; N182-H213 PolarHBondContact OD1-NE2 3.22Å
183	F	86.3	Confident	80.4	Confident	109 Å²	109	66.9 Å²	66.9	48%	0.478	38%	0.379	S	S	.	.	H	α-helix	trans	-66.4	-24.5	176.1	-82	-61.9	0	0	0	113.9	L179 P180 V181 G185 R197 T198	L179-F183 HydrophobicContact CD1-CD2 4.11Å; L179-F183 HydrophobicContact CD1-CE2 3.69Å; L179-F183 HydrophobicContact CD1-CZ 4.47Å; L179-F183 HydrophobicContact CD2-CE2 4.24Å; L179-F183 HydrophobicContact CG-CD2 4Å; L179-F183 HydrophobicContact CG-CE2 3.75Å; L179-F183 VanDerWaalsContact O-CD2 3.31Å; L179-F183 WeakPolarHBondContact O-CD2 3.33Å; L179-F183 PolarHBondContact O-N 2.83Å; P180-F183 PolarHBondContact O-N 3.45Å; V181-F183 VanDerWaalsContact C-N 3.33Å; V181-F183 PolarHBondContact O-N 3.05Å; F183-G185 PolarHBondContact O-N 3.5Å; F183-R197 HydrophobicContact CD1-CB 4.24Å; F183-R197 HydrophobicContact CE1-CB 4.15Å; F183-T198 HydrophobicContact CE1-CG2 3.97Å; F183-T198 HydrophobicContact CE2-CG2 4.39Å; F183-T198 HydrophobicContact CZ-CG2 3.62Å
184	S	85.4	Confident	79.2	Confident	72 Å²	72	66.4 Å²	66.4	50%	0.503	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-11.7	176.4	75.8	0	0	0	0	114	P180 V181 N182	P180-S184 PolarHBondContact O-N 3.4Å; P180-S184 VanDerWaalsContact O-N 3.11Å; V181-S184 WeakPolarHBondContact O-CB 3.46Å; V181-S184 PolarHBondContact O-N 2.94Å; V181-S184 VanDerWaalsContact O-N 3.15Å; V181-S184 PolarHBondContact O-OG 2.87Å; N182-S184 VanDerWaalsContact C-N 3.25Å; N182-S184 PolarHBondContact O-N 3.43Å
185	G	80	Confident	78.4	Confident	7 Å²	7	66.6 Å²	66.6	7%	0.072	38%	0.38	C	S	.	.			trans	-68.3	150.2	176.4	0	0	0	0	0	113.4	N182 F183 N202	N182-G185 PolarHBondContact O-N 3.25Å; F183-G185 PolarHBondContact O-N 3.5Å; G185-N202 VanDerWaalsContact C-ND2 3.33Å; G185-N202 CarbonylContact C-O 3.55Å; G185-N202 WeakPolarHBondContact CA-ND2 3.31Å; G185-N202 VanDerWaalsContact CA-O 3.28Å; G185-N202 WeakPolarHBondContact CA-O 3.45Å; G185-N202 PolarHBondContact O-ND2 3.01Å
186	N	77.1	Confident	77.4	Confident	128 Å²	128	65 Å²	65	68%	0.684	37%	0.37	S	S	*	.			trans	-119	12.3	-172.4	62	-21.8	0	0	0	113.7	N202	N186-N202 PolarHBondContact N-O 3.34Å
187	L	71.3	Confident	76.8	Confident	75 Å²	75	64.2 Å²	64.2	39%	0.393	35%	0.352	S	S	.	.	S	Bend	trans	-84.9	-21.4	-170.2	-160.2	76.3	0	0	0	114.4	N202	L187-N202 WeakPolarHBondContact CB-O 3.19Å; L187-N202 PolarHBondContact N-O 3.37Å
188	L	69	Low	76.3	Confident	48 Å²	48	61 Å²	61	25%	0.251	34%	0.335	S	S	.	.	S	Bend	trans	-115.3	143.3	-176.6	-68.2	154	0	0	0	111.4	P196 R197 N202	L188-P196 HydrophobicContact CD1-CB 3.57Å; L188-P196 HydrophobicContact CD2-CB 4.26Å; L188-P196 HydrophobicContact CG-CB 4.47Å; L188-R197 PolarHBondContact O-NH2 2.86Å; L188-N202 HydrophobicContact CD1-CB 3.92Å; L188-N202 PolarHBondContact N-OD1 3.06Å
189	D	60.8	Low	76	Confident	141 Å²	141	61.4 Å²	61.4	75%	0.754	34%	0.337	S	S	*	.			trans	-50	148.4	-173.5	-75.1	-26.3	0	0	0	115.1	T191 R197	D189-T191 PolarHBondContact O-N 3.25Å; D189-R197 PolarHBondContact O-NE 2.84Å; D189-R197 PolarHBondContact O-NH2 3.19Å; D189-R197 VanDerWaalsContact O-NH2 3.12Å
190	D	57.4	Low	75.5	Confident	144 Å²	144	60.6 Å²	60.6	77%	0.77	33%	0.333	S	S	*	.	S	Bend	trans	-69.6	16.5	-169.2	-117	-3.4	0	0	0	118.2	A192 R197	D190-A192 PolarHBondContact O-N 3.3Å; D190-R197 VanDerWaalsContact CA-CZ 3.44Å; D190-R197 IonicContact OD1-CZ 3.97Å; D190-R197 IonicContact OD1-NH1 2.77Å; D190-R197 PolarHBondContact OD1-NH1 3.5Å; D190-R197 IonicContact OD1-NH2 3.75Å; D190-R197 PolarHBondContact OD1-NH2 3.33Å
191	T	63	Low	74.9	Confident	87 Å²	87	57.9 Å²	57.9	53%	0.534	32%	0.318	S	S	.	.			trans	-78.2	116.3	176.6	54.8	0	0	0	0	110.9	D189 Y193 S194	D189-T191 PolarHBondContact O-N 3.25Å; T191-Y193 PolarHBondContact O-N 3.33Å; T191-S194 PolarHBondContact O-N 2.9Å; T191-S194 PolarHBondContact O-OG 3.1Å
192	A	57	Low	74.5	Confident	85 Å²	85	56.9 Å²	56.9	70%	0.702	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-14.6	-179.2	0	0	0	0	0	115	D190	D190-A192 PolarHBondContact O-N 3.3Å
193	Y	62.2	Low	74.1	Confident	184 Å²	184	57 Å²	57	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.3	-176.5	-60	-76.1	0	0	0	114.5	F41 T191 F195	F41-Y193 PolarHBondContact N-O 3.28Å; T191-Y193 PolarHBondContact O-N 3.33Å; Y193-F195 PolarHBondContact O-N 3.16Å
194	S	69.7	Low	73.7	Confident	26 Å²	26	54.5 Å²	54.5	18%	0.182	30%	0.304	C	S	.	.			trans	-84.7	109.9	-177.8	58.8	0	0	0	0	111.6	T191 P196 R197	T191-S194 PolarHBondContact O-N 2.9Å; T191-S194 PolarHBondContact O-OG 3.1Å; S194-P196 VanDerWaalsContact C-N 3.26Å; S194-R197 WeakPolarHBondContact O-CB 3.24Å; S194-R197 PolarHBondContact O-N 3.49Å; S194-R197 WeakPolarHBondContact OG-CD 3.46Å; S194-R197 WeakPolarHBondContact OG-CG 3.44Å
195	F	75.7	Confident	73	Confident	4 Å²	4	54 Å²	54	2%	0.018	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-48.5	-40.1	171.9	-178.5	-86.7	0	0	0	113.7	F41 V44 Y193 R197 T198 T199 P568 A572 V575 C646	F41-F195 AromaticContact CD1-CD2 3.87Å; F41-F195 HydrophobicContact CD1-CD2 3.87Å; F41-F195 HydrophobicContact CD2-CB 4.09Å; F41-F195 AromaticContact CE1-CD2 3.61Å; F41-F195 HydrophobicContact CE1-CD2 3.61Å; F41-F195 HydrophobicContact CE1-CE2 4.18Å; F41-F195 HydrophobicContact CE2-CB 4.34Å; F41-F195 HydrophobicContact CE2-CD2 4.29Å; F41-F195 HydrophobicContact CG-CB 4.25Å; F41-F195 HydrophobicContact CG-CD2 4.32Å; F41-F195 AromaticContact CZ-CD2 3.84Å; F41-F195 HydrophobicContact CZ-CD2 3.84Å; V44-F195 HydrophobicContact CG2-CD2 4.28Å; V44-F195 HydrophobicContact CG2-CE2 4.07Å; Y193-F195 PolarHBondContact O-N 3.16Å; F195-R197 PolarHBondContact O-N 2.74Å; F195-T198 PolarHBondContact O-N 3.35Å; F195-T198 PolarHBondContact O-OG1 2.95Å; F195-T199 HydrophobicContact CD1-CG2 4.43Å; F195-T199 HydrophobicContact CE1-CG2 3.98Å; F195-P568 WeakPolarHBondContact CD1-O 3.2Å; F195-P568 WeakPolarHBondContact CE1-O 3.14Å; F195-A572 HydrophobicContact CD1-CB 3.83Å; F195-A572 HydrophobicContact CD2-CB 4.18Å; F195-A572 HydrophobicContact CE1-CB 3.7Å; F195-A572 HydrophobicContact CE2-CB 4.05Å; F195-A572 HydrophobicContact CG-CB 4.09Å; F195-A572 VanDerWaalsContact CZ-CA 3.42Å; F195-A572 HydrophobicContact CZ-CB 3.8Å; F195-A572 VanDerWaalsContact CZ-N 3.28Å; F195-V575 HydrophobicContact CE2-CG2 4.48Å; F195-V575 HydrophobicContact CZ-CG2 4.21Å; F195-C646 VanDerWaalsContact CZ-SG 3.55Å
196	P	74.3	Confident	72.4	Confident	19 Å²	19	61.9 Å²	61.9	12%	0.123	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-48.1	-32.2	176.3	-33.8	37.1	0	0	0	116.8	L188 S194 T198 T199 P568	L188-P196 HydrophobicContact CD1-CB 3.57Å; L188-P196 HydrophobicContact CD2-CB 4.26Å; L188-P196 HydrophobicContact CG-CB 4.47Å; S194-P196 VanDerWaalsContact C-N 3.26Å; P196-T198 PolarHBondContact O-N 3.33Å; P196-T199 PolarHBondContact O-N 3.41Å; P196-T199 PolarHBondContact O-OG1 2.76Å; P196-P568 VanDerWaalsContact CA-CB 3.5Å; P196-P568 HydrophobicContact CB-CB 3.71Å; P196-P568 HydrophobicContact CB-CG 3.82Å; P196-P568 HydrophobicContact CG-CB 3.88Å; P196-P568 HydrophobicContact CG-CG 4.29Å
197	R	78.7	Confident	72.5	Confident	36 Å²	36	58.6 Å²	58.6	14%	0.136	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.6	-179.8	-74.1	-179	163	-127.4	-42.8	114.7	F183 L188 D189 D190 S194 F195 T199	F183-R197 HydrophobicContact CD1-CB 4.24Å; F183-R197 HydrophobicContact CE1-CB 4.15Å; L188-R197 PolarHBondContact O-NH2 2.86Å; D189-R197 PolarHBondContact O-NE 2.84Å; D189-R197 PolarHBondContact O-NH2 3.19Å; D189-R197 VanDerWaalsContact O-NH2 3.12Å; D190-R197 VanDerWaalsContact CA-CZ 3.44Å; D190-R197 IonicContact OD1-CZ 3.97Å; D190-R197 IonicContact OD1-NH1 2.77Å; D190-R197 PolarHBondContact OD1-NH1 3.5Å; D190-R197 IonicContact OD1-NH2 3.75Å; D190-R197 PolarHBondContact OD1-NH2 3.33Å; S194-R197 WeakPolarHBondContact O-CB 3.24Å; S194-R197 PolarHBondContact O-N 3.49Å; S194-R197 WeakPolarHBondContact OG-CD 3.46Å; S194-R197 WeakPolarHBondContact OG-CG 3.44Å; F195-R197 PolarHBondContact O-N 2.74Å; R197-T199 PolarHBondContact O-N 3.5Å
198	T	83.6	Confident	72.9	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-81.7	-8.9	-177.6	67.7	0	0	0	0	112.6	F41 L179 N182 F183 F195 P196 I648	F41-T198 HydrophobicContact CE2-CG2 3.94Å; F41-T198 HydrophobicContact CZ-CG2 3.94Å; L179-T198 HydrophobicContact CD1-CG2 4.5Å; N182-T198 PolarHBondContact ND2-O 3.26Å; N182-T198 VanDerWaalsContact ND2-O 3.08Å; F183-T198 HydrophobicContact CE1-CG2 3.97Å; F183-T198 HydrophobicContact CE2-CG2 4.39Å; F183-T198 HydrophobicContact CZ-CG2 3.62Å; F195-T198 PolarHBondContact O-N 3.35Å; F195-T198 PolarHBondContact O-OG1 2.95Å; P196-T198 PolarHBondContact O-N 3.33Å; T198-I648 VanDerWaalsContact CB-CD1 3.49Å; T198-I648 HydrophobicContact CG2-CD1 3.44Å; T198-I648 VanDerWaalsContact CG2-CD1 3.44Å
199	T	84.3	Confident	73.5	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.043	34%	0.336	C	S	.	.	S	Bend	trans	-104.6	161.9	-173	72.7	0	0	0	0	111.8	F195 P196 R197 G201 N202 P568 T645 C646	F195-T199 HydrophobicContact CD1-CG2 4.43Å; F195-T199 HydrophobicContact CE1-CG2 3.98Å; P196-T199 PolarHBondContact O-N 3.41Å; P196-T199 PolarHBondContact O-OG1 2.76Å; R197-T199 PolarHBondContact O-N 3.5Å; T199-G201 PolarHBondContact O-N 3.06Å; T199-G201 PolarHBondContact OG1-N 3.3Å; T199-N202 PolarHBondContact O-N 2.9Å; T199-N202 VanDerWaalsContact O-N 3.13Å; T199-P568 HydrophobicContact CG2-CB 4.07Å; T199-T645 VanDerWaalsContact CA-O 3.23Å; T199-T645 WeakPolarHBondContact CA-O 3.21Å; T199-T645 WeakPolarHBondContact CB-O 3.37Å; T199-C646 HydrophobicContact CG2-CB 4.23Å
200	I	81.8	Confident	74.5	Confident	8 Å²	8	57.9 Å²	57.9	4%	0.041	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-55.7	-20.5	173.6	-168.2	170.6	0	0	0	112.7	N182 N202 L203 H213 T645 F703	N182-I200 PolarHBondContact ND2-N 2.92Å; I200-N202 PolarHBondContact O-N 2.95Å; I200-L203 PolarHBondContact O-N 3Å; I200-H213 HydrophobicContact CD1-CB 4.13Å; I200-T645 HydrophobicContact CG2-CG2 4.1Å; I200-T645 PolarHBondContact N-O 3.48Å; I200-F703 HydrophobicContact CB-CE1 4.39Å; I200-F703 HydrophobicContact CB-CZ 4.46Å; I200-F703 HydrophobicContact CD1-CD1 4.14Å; I200-F703 HydrophobicContact CD1-CE1 3.78Å; I200-F703 HydrophobicContact CG1-CE1 3.87Å; I200-F703 HydrophobicContact CG1-CZ 4.34Å; I200-F703 HydrophobicContact CG2-CD1 4.31Å; I200-F703 HydrophobicContact CG2-CE1 3.69Å; I200-F703 HydrophobicContact CG2-CE2 4.03Å; I200-F703 HydrophobicContact CG2-CZ 3.54Å
201	G	77.7	Confident	75.9	Confident	13 Å²	13	55.8 Å²	55.8	13%	0.134	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.2	-17.3	177.3	0	0	0	0	0	115	T199	T199-G201 PolarHBondContact O-N 3.06Å; T199-G201 PolarHBondContact OG1-N 3.3Å
202	N	80.9	Confident	77.1	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-79.6	-15.8	177.4	-166.9	39	0	0	0	114	N182 G185 N186 L187 L188 T199 I200	N182-N202 PolarHBondContact O-ND2 2.92Å; G185-N202 VanDerWaalsContact C-ND2 3.33Å; G185-N202 CarbonylContact C-O 3.55Å; G185-N202 WeakPolarHBondContact CA-ND2 3.31Å; G185-N202 VanDerWaalsContact CA-O 3.28Å; G185-N202 WeakPolarHBondContact CA-O 3.45Å; G185-N202 PolarHBondContact O-ND2 3.01Å; N186-N202 PolarHBondContact N-O 3.34Å; L187-N202 WeakPolarHBondContact CB-O 3.19Å; L187-N202 PolarHBondContact N-O 3.37Å; L188-N202 HydrophobicContact CD1-CB 3.92Å; L188-N202 PolarHBondContact N-OD1 3.06Å; T199-N202 PolarHBondContact O-N 2.9Å; T199-N202 VanDerWaalsContact O-N 3.13Å; I200-N202 PolarHBondContact O-N 2.95Å
203	L	81.2	Confident	78.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.237	C	C	.	.	S	Bend	trans	-86.1	133.2	-179	-70.6	169.8	0	0	0	111.5	V181 I200 L209 L210 H213 R707	V181-L203 HydrophobicContact CG1-CD1 4.2Å; I200-L203 PolarHBondContact O-N 3Å; L203-L209 HydrophobicContact CD2-CB 4.47Å; L203-L209 HydrophobicContact CD2-CD1 4.23Å; L203-L210 HydrophobicContact CB-CD1 4.42Å; L203-H213 WeakPolarHBondContact CD1-CE1 3.44Å; L203-R707 PolarHBondContact O-NH2 3.46Å
204	D	76.4	Confident	79.8	Confident	58 Å²	58	41.4 Å²	41.4	31%	0.31	21%	0.205	S	C	.	.			trans	-66.7	151	175.4	-165.1	16.3	0	0	0	112.8	E206 N207 L210	D204-E206 VanDerWaalsContact C-N 3.29Å; D204-E206 PolarHBondContact O-N 3.44Å; D204-N207 WeakPolarHBondContact O-CB 3.5Å; D204-N207 PolarHBondContact O-N 2.95Å; D204-L210 WeakPolarHBondContact O-CD1 3.39Å
205	T	71.1	Confident	80.8	Confident	60 Å²	60	43.2 Å²	43.2	37%	0.368	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.9	-173.5	54.9	0	0	0	0	113.7	N207 R707	T205-N207 VanDerWaalsContact C-N 3.34Å; T205-R707 HydrophobicContact CG2-CG 3.59Å
206	E	68.1	Low	81.5	Confident	174 Å²	174	44.4 Å²	44.4	81%	0.813	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-5.3	178	-60.5	-168.4	171.3	0	0	113.3	D204	D204-E206 VanDerWaalsContact C-N 3.29Å; D204-E206 PolarHBondContact O-N 3.44Å
207	N	77.9	Confident	82.3	Confident	59 Å²	59	43.6 Å²	43.6	32%	0.316	22%	0.218	S	C	.	.			trans	-78.3	130.1	-172.7	-160.1	-25.5	0	0	0	112.1	D204 T205 L209 L210	D204-N207 WeakPolarHBondContact O-CB 3.5Å; D204-N207 PolarHBondContact O-N 2.95Å; T205-N207 VanDerWaalsContact C-N 3.34Å; N207-L209 PolarHBondContact O-N 2.94Å; N207-L209 WeakPolarHBondContact OD1-CG 3.47Å; N207-L209 PolarHBondContact OD1-N 3.04Å; N207-L210 HydrophobicContact CB-CD1 4.39Å; N207-L210 VanDerWaalsContact O-CD1 3.28Å; N207-L210 WeakPolarHBondContact O-CD1 3.25Å; N207-L210 PolarHBondContact O-N 3Å
208	K	80.6	Confident	82.8	Confident	183 Å²	183	45.8 Å²	45.8	80%	0.796	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.2	177.3	-65.3	-177.6	-177.9	177.8	0	113.1	L210 W211	K208-L210 PolarHBondContact O-N 3.15Å; K208-W211 WeakPolarHBondContact O-CB 3.43Å; K208-W211 PolarHBondContact O-N 2.9Å; K208-W211 VanDerWaalsContact O-N 3.15Å
209	L	82.2	Confident	83.3	Confident	55 Å²	55	49.2 Å²	49.2	29%	0.288	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.1	178	-65.4	172.5	0	0	0	114.1	V181 L203 N207 W211 L212 H213	V181-L209 HydrophobicContact CG1-CB 4.02Å; V181-L209 HydrophobicContact CG1-CD1 4.21Å; V181-L209 HydrophobicContact CG1-CD2 4.27Å; V181-L209 HydrophobicContact CG1-CG 4.39Å; L203-L209 HydrophobicContact CD2-CB 4.47Å; L203-L209 HydrophobicContact CD2-CD1 4.23Å; N207-L209 PolarHBondContact O-N 2.94Å; N207-L209 WeakPolarHBondContact OD1-CG 3.47Å; N207-L209 PolarHBondContact OD1-N 3.04Å; L209-W211 PolarHBondContact O-N 3.05Å; L209-L212 VanDerWaalsContact O-CB 3.3Å; L209-L212 WeakPolarHBondContact O-CB 3.25Å; L209-L212 PolarHBondContact O-N 2.82Å; L209-H213 PolarHBondContact O-ND1 3.12Å; L209-H213 VanDerWaalsContact O-ND1 3.09Å
210	L	80.6	Confident	83.7	Confident	11 Å²	11	49 Å²	49	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-27.3	172	-81.1	93.1	0	0	0	112.9	L203 D204 N207 K208 L212 H213 T214 T714	L203-L210 HydrophobicContact CB-CD1 4.42Å; D204-L210 WeakPolarHBondContact O-CD1 3.39Å; N207-L210 HydrophobicContact CB-CD1 4.39Å; N207-L210 VanDerWaalsContact O-CD1 3.28Å; N207-L210 WeakPolarHBondContact O-CD1 3.25Å; N207-L210 PolarHBondContact O-N 3Å; K208-L210 PolarHBondContact O-N 3.15Å; L210-L212 PolarHBondContact O-N 3.17Å; L210-H213 WeakPolarHBondContact O-CB 3.27Å; L210-H213 PolarHBondContact O-N 2.83Å; L210-T214 PolarHBondContact O-N 2.94Å; L210-T714 HydrophobicContact CB-CG2 4.26Å
211	W	86.7	Confident	84.1	Confident	100 Å²	100	49.2 Å²	49.2	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-26.4	175.2	-81	92.2	0	0	0	113.5	K208 L209 T214 S215 T714 F717	K208-W211 WeakPolarHBondContact O-CB 3.43Å; K208-W211 PolarHBondContact O-N 2.9Å; K208-W211 VanDerWaalsContact O-N 3.15Å; L209-W211 PolarHBondContact O-N 3.05Å; W211-T214 WeakPolarHBondContact CA-OG1 3.49Å; W211-T214 PolarHBondContact O-OG1 2.91Å; W211-T214 VanDerWaalsContact O-OG1 3.04Å; W211-S215 WeakPolarHBondContact O-CB 3.27Å; W211-S215 PolarHBondContact O-N 3.03Å; W211-S215 VanDerWaalsContact O-N 3.08Å; W211-S215 PolarHBondContact O-OG 3.25Å; W211-T714 HydrophobicContact CD2-CG2 4.05Å; W211-T714 HydrophobicContact CG-CG2 4.05Å; W211-T714 HydrophobicContact CZ2-CG2 4.38Å; W211-F717 HydrophobicContact CH2-CB 4.03Å; W211-F717 HydrophobicContact CH2-CG 4.3Å; W211-F717 HydrophobicContact CZ3-CB 4.02Å; W211-F717 HydrophobicContact CZ3-CD1 4.08Å; W211-F717 HydrophobicContact CZ3-CD2 4.23Å; W211-F717 AromaticContact CZ3-CG 3.84Å; W211-F717 HydrophobicContact CZ3-CG 3.84Å
212	L	89.6	Confident	84.8	Confident	43 Å²	43	53 Å²	53	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-48.1	176.1	-170.9	140.3	0	0	0	109.5	I177 I178 V181 L209 L210 T214 S215 F216	I177-L212 HydrophobicContact CG2-CD1 4.21Å; I177-L212 HydrophobicContact CG2-CD2 4.29Å; I178-L212 HydrophobicContact CG1-CD2 4.14Å; V181-L212 HydrophobicContact CG2-CD1 4.37Å; L209-L212 VanDerWaalsContact O-CB 3.3Å; L209-L212 WeakPolarHBondContact O-CB 3.25Å; L209-L212 PolarHBondContact O-N 2.82Å; L210-L212 PolarHBondContact O-N 3.17Å; L212-T214 VanDerWaalsContact C-N 3.34Å; L212-T214 PolarHBondContact O-N 3.48Å; L212-S215 PolarHBondContact O-N 3.01Å; L212-S215 VanDerWaalsContact O-N 3.16Å; L212-F216 HydrophobicContact CD1-CE2 4.17Å; L212-F216 HydrophobicContact CD2-CD2 3.47Å; L212-F216 VanDerWaalsContact CD2-CD2 3.47Å; L212-F216 HydrophobicContact CD2-CE2 3.56Å; L212-F216 HydrophobicContact CG-CD2 3.69Å; L212-F216 HydrophobicContact CG-CE2 3.62Å; L212-F216 VanDerWaalsContact O-CD2 3.27Å; L212-F216 WeakPolarHBondContact O-CD2 3.41Å; L212-F216 PolarHBondContact O-N 3.18Å
213	H	88.6	Confident	85.4	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-43.7	-179	-62.8	76.8	0	0	0	112.6	N182 I200 L203 L209 L210 F216 A217 I644	N182-H213 PolarHBondContact OD1-NE2 3.22Å; I200-H213 HydrophobicContact CD1-CB 4.13Å; L203-H213 WeakPolarHBondContact CD1-CE1 3.44Å; L209-H213 PolarHBondContact O-ND1 3.12Å; L209-H213 VanDerWaalsContact O-ND1 3.09Å; L210-H213 WeakPolarHBondContact O-CB 3.27Å; L210-H213 PolarHBondContact O-N 2.83Å; H213-F216 PolarHBondContact O-N 2.96Å; H213-A217 PolarHBondContact O-N 2.69Å; H213-I644 HydrophobicContact CB-CG2 3.72Å
214	T	87.1	Confident	85.8	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-35.4	178.9	51.3	0	0	0	0	112.4	L210 W211 L212 A217 F218 T718	L210-T214 PolarHBondContact O-N 2.94Å; W211-T214 WeakPolarHBondContact CA-OG1 3.49Å; W211-T214 PolarHBondContact O-OG1 2.91Å; W211-T214 VanDerWaalsContact O-OG1 3.04Å; L212-T214 VanDerWaalsContact C-N 3.34Å; L212-T214 PolarHBondContact O-N 3.48Å; T214-A217 PolarHBondContact O-N 3.1Å; T214-F218 PolarHBondContact O-N 3.45Å; T214-T718 HydrophobicContact CG2-CG2 3.13Å
215	S	89.1	Confident	86.5	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-43.2	173.7	-57.8	0	0	0	0	112.1	W211 L212 A217 F218 L219	W211-S215 WeakPolarHBondContact O-CB 3.27Å; W211-S215 PolarHBondContact O-N 3.03Å; W211-S215 VanDerWaalsContact O-N 3.08Å; W211-S215 PolarHBondContact O-OG 3.25Å; L212-S215 PolarHBondContact O-N 3.01Å; L212-S215 VanDerWaalsContact O-N 3.16Å; S215-A217 VanDerWaalsContact C-N 3.34Å; S215-A217 PolarHBondContact O-N 3.03Å; S215-F218 PolarHBondContact O-N 3.05Å; S215-L219 PolarHBondContact O-N 3.03Å
216	F	91.8	Very high	87.3	Confident	29 Å²	29	58.2 Å²	58.2	13%	0.127	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-34.4	176.5	-87.9	-86.9	0	0	0	112.5	L173 I177 I178 L212 H213 F218 L219 Y220	L173-F216 HydrophobicContact CB-CD1 4.15Å; L173-F216 HydrophobicContact CB-CE1 3.81Å; L173-F216 HydrophobicContact CD1-CD1 4.48Å; L173-F216 HydrophobicContact CD1-CE1 4.23Å; L173-F216 HydrophobicContact CD2-CE1 3.98Å; L173-F216 HydrophobicContact CG-CE1 4.19Å; I177-F216 HydrophobicContact CB-CZ 4.27Å; I177-F216 HydrophobicContact CD1-CE1 4.18Å; I177-F216 HydrophobicContact CD1-CZ 3.67Å; I177-F216 HydrophobicContact CG2-CE2 4.13Å; I177-F216 HydrophobicContact CG2-CZ 4Å; I178-F216 HydrophobicContact CD1-CB 4.05Å; I178-F216 HydrophobicContact CD1-CD1 4.4Å; I178-F216 HydrophobicContact CD1-CG 4.13Å; I178-F216 HydrophobicContact CG1-CG 4.43Å; L212-F216 HydrophobicContact CD1-CE2 4.17Å; L212-F216 HydrophobicContact CD2-CD2 3.47Å; L212-F216 VanDerWaalsContact CD2-CD2 3.47Å; L212-F216 HydrophobicContact CD2-CE2 3.56Å; L212-F216 HydrophobicContact CG-CD2 3.69Å; L212-F216 HydrophobicContact CG-CE2 3.62Å; L212-F216 VanDerWaalsContact O-CD2 3.27Å; L212-F216 WeakPolarHBondContact O-CD2 3.41Å; L212-F216 PolarHBondContact O-N 3.18Å; H213-F216 PolarHBondContact O-N 2.96Å; F216-F218 VanDerWaalsContact C-N 3.33Å; F216-F218 PolarHBondContact O-N 2.76Å; F216-L219 HydrophobicContact CD1-CD2 4.17Å; F216-L219 HydrophobicContact CE1-CD2 4.22Å; F216-L219 WeakPolarHBondContact O-CB 3.33Å; F216-L219 PolarHBondContact O-N 3.47Å; F216-Y220 HydrophobicContact CD1-CE1 4.08Å; F216-Y220 VanDerWaalsContact O-CD1 3.31Å; F216-Y220 WeakPolarHBondContact O-CD1 3.17Å; F216-Y220 PolarHBondContact O-N 2.99Å
217	A	90.2	Very high	88.4	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-42.9	174.2	0	0	0	0	0	112.3	H213 T214 S215 Y220 L221 I644 L697 L700	H213-A217 PolarHBondContact O-N 2.69Å; T214-A217 PolarHBondContact O-N 3.1Å; S215-A217 VanDerWaalsContact C-N 3.34Å; S215-A217 PolarHBondContact O-N 3.03Å; A217-Y220 PolarHBondContact O-N 3.16Å; A217-L221 PolarHBondContact O-N 2.56Å; A217-L221 VanDerWaalsContact O-N 3.14Å; A217-I644 HydrophobicContact CB-CD1 3.5Å; A217-L697 HydrophobicContact CB-CD2 3.54Å; A217-L697 HydrophobicContact CB-CG 4.41Å; A217-L700 HydrophobicContact CB-CD1 3.45Å; A217-L700 VanDerWaalsContact CB-CD1 3.45Å
218	F	90.1	Very high	88.9	Confident	82 Å²	82	47.9 Å²	47.9	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-66.3	-40.6	174.4	-177.7	-111.7	0	0	0	112	T214 S215 F216 Y220 L221 L222 V721	T214-F218 PolarHBondContact O-N 3.45Å; S215-F218 PolarHBondContact O-N 3.05Å; F216-F218 VanDerWaalsContact C-N 3.33Å; F216-F218 PolarHBondContact O-N 2.76Å; F218-Y220 VanDerWaalsContact C-N 3.33Å; F218-Y220 PolarHBondContact O-N 2.98Å; F218-L221 WeakPolarHBondContact O-CB 3.49Å; F218-L221 PolarHBondContact O-N 3.36Å; F218-L222 HydrophobicContact CD1-CD1 4.09Å; F218-L222 HydrophobicContact CE1-CD1 3.61Å; F218-L222 HydrophobicContact CE1-CG 4.17Å; F218-L222 HydrophobicContact CZ-CD1 4.03Å; F218-L222 HydrophobicContact CZ-CD2 4.23Å; F218-L222 HydrophobicContact CZ-CG 4.19Å; F218-L222 PolarHBondContact O-N 2.94Å; F218-L222 VanDerWaalsContact O-N 3.08Å; F218-V721 HydrophobicContact CD2-CG1 3.69Å; F218-V721 HydrophobicContact CE2-CG1 4.35Å
219	L	92.9	Very high	89.1	Confident	74 Å²	74	47.7 Å²	47.7	39%	0.387	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-41.4	174	-179.7	62.6	0	0	0	112	L173 S215 F216 L221 L222 L223	L173-L219 HydrophobicContact CD1-CD2 3.89Å; S215-L219 PolarHBondContact O-N 3.03Å; F216-L219 HydrophobicContact CD1-CD2 4.17Å; F216-L219 HydrophobicContact CE1-CD2 4.22Å; F216-L219 WeakPolarHBondContact O-CB 3.33Å; F216-L219 PolarHBondContact O-N 3.47Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 2.72Å; L219-L222 PolarHBondContact O-N 3.35Å; L219-L223 WeakPolarHBondContact O-CB 3.5Å; L219-L223 PolarHBondContact O-N 3.08Å
220	Y	93.5	Very high	89.3	Confident	1 Å²	1	51 Å²	51	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-37.1	178.2	-73.3	4.9	0	0	0	112	V170 L173 S174 F216 A217 F218 T224 M640 S643 I644	V170-Y220 HydrophobicContact CB-CE1 4.47Å; V170-Y220 HydrophobicContact CG1-CD2 4.14Å; V170-Y220 HydrophobicContact CG1-CE1 4.31Å; V170-Y220 HydrophobicContact CG1-CE2 3.6Å; V170-Y220 HydrophobicContact CG2-CD1 4.08Å; V170-Y220 HydrophobicContact CG2-CD2 4.42Å; V170-Y220 HydrophobicContact CG2-CE1 4.15Å; V170-Y220 HydrophobicContact CG2-CE2 4.48Å; V170-Y220 HydrophobicContact CG2-CG 4.23Å; V170-Y220 PolarHBondContact O-OH 2.89Å; L173-Y220 HydrophobicContact CB-CE1 4.03Å; L173-Y220 HydrophobicContact CD1-CE1 3.87Å; S174-Y220 PolarHBondContact N-OH 3.13Å; S174-Y220 PolarHBondContact OG-OH 2.71Å; F216-Y220 HydrophobicContact CD1-CE1 4.08Å; F216-Y220 VanDerWaalsContact O-CD1 3.31Å; F216-Y220 WeakPolarHBondContact O-CD1 3.17Å; F216-Y220 PolarHBondContact O-N 2.99Å; A217-Y220 PolarHBondContact O-N 3.16Å; F218-Y220 VanDerWaalsContact C-N 3.33Å; F218-Y220 PolarHBondContact O-N 2.98Å; Y220-T224 WeakPolarHBondContact O-CB 3.27Å; Y220-T224 PolarHBondContact O-N 3.49Å; Y220-T224 PolarHBondContact O-OG1 3.46Å; Y220-M640 HydrophobicContact CD2-CE 4.09Å; Y220-M640 HydrophobicContact CG-CE 4.33Å; Y220-S643 WeakPolarHBondContact CE2-OG 3.5Å; Y220-I644 HydrophobicContact CD2-CD1 3.94Å; Y220-I644 HydrophobicContact CD2-CG1 4.1Å; Y220-I644 HydrophobicContact CE2-CD1 4.07Å; Y220-I644 HydrophobicContact CE2-CG1 3.76Å
221	L	91.1	Very high	89.5	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-50.9	171.5	179.4	70.2	0	0	0	111.3	A217 F218 L219 L223 T224 V225 P693 I694 L697 T725	A217-L221 PolarHBondContact O-N 2.56Å; A217-L221 VanDerWaalsContact O-N 3.14Å; F218-L221 WeakPolarHBondContact O-CB 3.49Å; F218-L221 PolarHBondContact O-N 3.36Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 2.72Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.76Å; L221-T224 PolarHBondContact O-N 2.79Å; L221-V225 HydrophobicContact CD1-CG2 4.47Å; L221-V225 WeakPolarHBondContact O-CG2 3.29Å; L221-V225 PolarHBondContact O-N 3.44Å; L221-P693 HydrophobicContact CB-CB 4.13Å; L221-P693 HydrophobicContact CD1-CB 3.84Å; L221-P693 HydrophobicContact CD1-CG 3.58Å; L221-I694 HydrophobicContact CD1-CG1 4.27Å; L221-L697 HydrophobicContact CD2-CD1 4.18Å; L221-T725 HydrophobicContact CD2-CG2 3.22Å
222	L	90.8	Very high	89.3	Confident	92 Å²	92	47.6 Å²	47.6	48%	0.482	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-44.5	179.4	-69.5	179	0	0	0	111.9	F218 L219 V225 Y226	F218-L222 HydrophobicContact CD1-CD1 4.09Å; F218-L222 HydrophobicContact CE1-CD1 3.61Å; F218-L222 HydrophobicContact CE1-CG 4.17Å; F218-L222 HydrophobicContact CZ-CD1 4.03Å; F218-L222 HydrophobicContact CZ-CD2 4.23Å; F218-L222 HydrophobicContact CZ-CG 4.19Å; F218-L222 PolarHBondContact O-N 2.94Å; F218-L222 VanDerWaalsContact O-N 3.08Å; L219-L222 PolarHBondContact O-N 3.35Å; L222-V225 PolarHBondContact O-N 2.89Å; L222-Y226 WeakPolarHBondContact O-CB 3.42Å; L222-Y226 PolarHBondContact O-N 3.49Å
223	L	93.3	Very high	88.8	Confident	41 Å²	41	49.6 Å²	49.6	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-40.8	178.8	-172.9	70.6	0	0	0	111.8	L166 V169 V170 L219 L221 Y226 S227	L166-L223 HydrophobicContact CD1-CB 4.12Å; L166-L223 HydrophobicContact CD1-CD2 3.52Å; L166-L223 HydrophobicContact CD1-CG 3.46Å; L166-L223 VanDerWaalsContact CD1-CG 3.46Å; V169-L223 HydrophobicContact CB-CD2 3.85Å; V169-L223 HydrophobicContact CG1-CD1 4.2Å; V169-L223 HydrophobicContact CG1-CD2 3.44Å; V169-L223 VanDerWaalsContact CG1-CD2 3.44Å; V169-L223 HydrophobicContact CG1-CG 4.47Å; V170-L223 HydrophobicContact CG2-CD2 4.06Å; L219-L223 WeakPolarHBondContact O-CB 3.5Å; L219-L223 PolarHBondContact O-N 3.08Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.76Å; L223-Y226 PolarHBondContact O-N 3.2Å; L223-S227 WeakPolarHBondContact O-CB 3.46Å; L223-S227 PolarHBondContact O-N 2.85Å
224	T	91.2	Very high	88.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-48.8	176.3	-57.6	0	0	0	0	110.7	L166 Y220 L221 Y226 S227 M228 V689 P693	L166-T224 HydrophobicContact CD2-CG2 4.01Å; Y220-T224 WeakPolarHBondContact O-CB 3.27Å; Y220-T224 PolarHBondContact O-N 3.49Å; Y220-T224 PolarHBondContact O-OG1 3.46Å; L221-T224 PolarHBondContact O-N 2.79Å; T224-Y226 VanDerWaalsContact C-N 3.34Å; T224-Y226 PolarHBondContact O-N 3.1Å; T224-S227 PolarHBondContact O-N 3.43Å; T224-M228 HydrophobicContact CG2-CG 4.37Å; T224-M228 WeakPolarHBondContact O-CB 3.45Å; T224-M228 VanDerWaalsContact O-CG 3.29Å; T224-M228 WeakPolarHBondContact O-CG 3.31Å; T224-M228 PolarHBondContact O-N 3.22Å; T224-V689 HydrophobicContact CG2-CG1 4.11Å; T224-P693 HydrophobicContact CG2-CG 4.05Å
225	V	89.3	Confident	87.6	Confident	45 Å²	45	55.5 Å²	55.5	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-42.3	177.5	173	0	0	0	0	111.2	L221 L222 M228 R229 V690	L221-V225 HydrophobicContact CD1-CG2 4.47Å; L221-V225 WeakPolarHBondContact O-CG2 3.29Å; L221-V225 PolarHBondContact O-N 3.44Å; L222-V225 PolarHBondContact O-N 2.89Å; V225-M228 PolarHBondContact O-N 3.37Å; V225-R229 HydrophobicContact CG1-CG 4.44Å; V225-R229 WeakPolarHBondContact O-CB 3.48Å; V225-R229 WeakPolarHBondContact O-CG 3.5Å; V225-R229 PolarHBondContact O-N 2.96Å; V225-V690 HydrophobicContact CG2-CG1 4.26Å
226	Y	89.8	Confident	86.4	Confident	144 Å²	144	63.1 Å²	63.1	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-61.2	-50	176.1	172.7	-97.8	0	0	0	111.9	L222 L223 T224 M228 R229 R230	L222-Y226 WeakPolarHBondContact O-CB 3.42Å; L222-Y226 PolarHBondContact O-N 3.49Å; L223-Y226 PolarHBondContact O-N 3.2Å; T224-Y226 VanDerWaalsContact C-N 3.34Å; T224-Y226 PolarHBondContact O-N 3.1Å; Y226-M228 VanDerWaalsContact C-N 3.34Å; Y226-M228 PolarHBondContact O-N 3.5Å; Y226-R229 PolarHBondContact O-N 3.22Å; Y226-R230 WeakPolarHBondContact O-CB 3.49Å; Y226-R230 PolarHBondContact O-N 3.28Å
227	S	91.1	Very high	84.9	Confident	14 Å²	14	63.8 Å²	63.8	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-44.3	179.1	-173.8	0	0	0	0	111.5	H162 L223 T224 R230 H231	H162-S227 PolarHBondContact O-OG 2.88Å; L223-S227 WeakPolarHBondContact O-CB 3.46Å; L223-S227 PolarHBondContact O-N 2.85Å; T224-S227 PolarHBondContact O-N 3.43Å; S227-R230 PolarHBondContact O-N 3.16Å; S227-H231 PolarHBondContact O-N 3.16Å
228	M	87.3	Confident	83.2	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-40.6	178.8	-74.8	-49	101.3	0	0	112.9	F159 H162 I163 T224 V225 Y226 H231 T232 V686 V689 V690	F159-M228 HydrophobicContact CE2-SD 4.07Å; H162-M228 HydrophobicContact CB-CE 4.45Å; I163-M228 HydrophobicContact CG1-CE 4.21Å; T224-M228 HydrophobicContact CG2-CG 4.37Å; T224-M228 WeakPolarHBondContact O-CB 3.45Å; T224-M228 VanDerWaalsContact O-CG 3.29Å; T224-M228 WeakPolarHBondContact O-CG 3.31Å; T224-M228 PolarHBondContact O-N 3.22Å; V225-M228 PolarHBondContact O-N 3.37Å; Y226-M228 VanDerWaalsContact C-N 3.34Å; Y226-M228 PolarHBondContact O-N 3.5Å; M228-H231 PolarHBondContact O-N 3.29Å; M228-T232 WeakPolarHBondContact O-CB 3.37Å; M228-T232 PolarHBondContact O-N 3.17Å; M228-T232 PolarHBondContact O-OG1 3.17Å; M228-V686 HydrophobicContact CB-CG1 3.8Å; M228-V686 HydrophobicContact CG-CG1 4.18Å; M228-V686 HydrophobicContact SD-CG1 4.22Å; M228-V686 HydrophobicContact SD-CG2 4.41Å; M228-V689 HydrophobicContact CE-CG1 4.35Å; M228-V689 HydrophobicContact CG-CG1 4.1Å; M228-V689 HydrophobicContact SD-CB 4.22Å; M228-V689 HydrophobicContact SD-CG1 3.87Å; M228-V690 HydrophobicContact CG-CG2 4.34Å
229	R	84.7	Confident	81.3	Confident	179 Å²	179	73.6 Å²	73.6	68%	0.675	33%	0.328	S	S	*	.	H	α-helix	trans	-63.5	-41.7	173	-79.4	-172.5	177.1	-174.5	1.2	111.8	V225 Y226 T232 S233	V225-R229 HydrophobicContact CG1-CG 4.44Å; V225-R229 WeakPolarHBondContact O-CB 3.48Å; V225-R229 WeakPolarHBondContact O-CG 3.5Å; V225-R229 PolarHBondContact O-N 2.96Å; Y226-R229 PolarHBondContact O-N 3.22Å; R229-T232 PolarHBondContact O-N 3.44Å; R229-S233 WeakPolarHBondContact O-CB 3.37Å; R229-S233 PolarHBondContact O-N 3.45Å
230	R	86.2	Confident	79.1	Confident	124 Å²	124	75.2 Å²	75.2	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-45.8	175.9	-174.6	174.4	-173.5	172.7	-1.4	111.5	Y226 S227 T232 S233 K234	Y226-R230 WeakPolarHBondContact O-CB 3.49Å; Y226-R230 PolarHBondContact O-N 3.28Å; S227-R230 PolarHBondContact O-N 3.16Å; R230-T232 VanDerWaalsContact C-N 3.35Å; R230-T232 PolarHBondContact O-N 3.03Å; R230-S233 PolarHBondContact O-N 2.85Å; R230-S233 PolarHBondContact O-OG 3.48Å; R230-K234 PolarHBondContact O-N 3.2Å
231	H	85.6	Confident	77	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-57.9	-48.8	175	176	61.5	0	0	0	111.4	F159 H162 S227 M228 S233 K234 M235	F159-H231 WeakPolarHBondContact CA-CE1 3.34Å; F159-H231 AromaticContact CD2-CD2 3.82Å; F159-H231 AromaticContact CD2-NE2 3.61Å; F159-H231 PolarHBondContact N-CE1 3.26Å; F159-H231 VanDerWaalsContact N-CE1 3.26Å; H162-H231 HydrophobicContact CB-CB 4.25Å; H162-H231 AromaticContact CE1-ND1 3.72Å; H162-H231 AromaticContact ND1-ND1 3.44Å; H162-H231 PolarHBondContact ND1-ND1 3.27Å; S227-H231 PolarHBondContact O-N 3.16Å; M228-H231 PolarHBondContact O-N 3.29Å; H231-S233 VanDerWaalsContact C-N 3.32Å; H231-S233 PolarHBondContact O-N 3.32Å; H231-K234 PolarHBondContact O-N 3.1Å; H231-K234 VanDerWaalsContact O-N 3.1Å; H231-M235 WeakPolarHBondContact CE1-CE 3.27Å; H231-M235 WeakPolarHBondContact NE2-CE 3.27Å; H231-M235 PolarHBondContact O-N 3.39Å
232	T	82.4	Confident	75.3	Confident	39 Å²	39	81.6 Å²	81.6	24%	0.239	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-40.2	179.4	-55.6	0	0	0	0	112.2	M228 R229 R230 K234 M235 Y683	M228-T232 WeakPolarHBondContact O-CB 3.37Å; M228-T232 PolarHBondContact O-N 3.17Å; M228-T232 PolarHBondContact O-OG1 3.17Å; R229-T232 PolarHBondContact O-N 3.44Å; R230-T232 VanDerWaalsContact C-N 3.35Å; R230-T232 PolarHBondContact O-N 3.03Å; T232-K234 VanDerWaalsContact C-N 3.25Å; T232-K234 PolarHBondContact O-N 3.49Å; T232-M235 WeakPolarHBondContact O-CB 3.5Å; T232-M235 PolarHBondContact O-N 3.21Å; T232-Y683 HydrophobicContact CG2-CD1 3.99Å; T232-Y683 HydrophobicContact CG2-CE1 3.45Å; T232-Y683 VanDerWaalsContact CG2-CE1 3.45Å
233	S	79.1	Confident	73.9	Confident	86 Å²	86	78.3 Å²	78.3	60%	0.601	35%	0.354	S	S	*	.	H	α-helix	trans	-66.8	-24.8	178.6	72.8	0	0	0	0	114	R229 R230 H231	R229-S233 WeakPolarHBondContact O-CB 3.37Å; R229-S233 PolarHBondContact O-N 3.45Å; R230-S233 PolarHBondContact O-N 2.85Å; R230-S233 PolarHBondContact O-OG 3.48Å; H231-S233 VanDerWaalsContact C-N 3.32Å; H231-S233 PolarHBondContact O-N 3.32Å
234	K	77.1	Confident	72.9	Confident	123 Å²	123	78.7 Å²	78.7	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-86.3	-15.2	177.9	-73.5	-175.9	172.1	-173.5	0	113.1	R230 H231 T232 R236	R230-K234 PolarHBondContact O-N 3.2Å; H231-K234 PolarHBondContact O-N 3.1Å; H231-K234 VanDerWaalsContact O-N 3.1Å; T232-K234 VanDerWaalsContact C-N 3.25Å; T232-K234 PolarHBondContact O-N 3.49Å; K234-R236 PolarHBondContact O-N 3.07Å
235	M	73.5	Confident	72.5	Confident	11 Å²	11	83.1 Å²	83.1	5%	0.054	37%	0.371	C	S	.	.			trans	-74.7	87.5	173.8	-69.7	174.1	144.8	0	0	109.5	H155 H231 T232 Y237 H682	H155-M235 HydrophobicContact CB-CE 3.85Å; H231-M235 WeakPolarHBondContact CE1-CE 3.27Å; H231-M235 WeakPolarHBondContact NE2-CE 3.27Å; H231-M235 PolarHBondContact O-N 3.39Å; T232-M235 WeakPolarHBondContact O-CB 3.5Å; T232-M235 PolarHBondContact O-N 3.21Å; M235-Y237 HydrophobicContact CB-CE2 4.46Å; M235-H682 HydrophobicContact CE-CB 3.61Å; M235-H682 HydrophobicContact SD-CB 4.31Å
236	R	62.7	Low	72.5	Confident	223 Å²	223	81.1 Å²	81.1	84%	0.842	36%	0.359	S	S	*	.			trans	-95.2	97.9	168	-67.4	-173.3	-168.9	-176.8	2.6	108.1	K234	K234-R236 PolarHBondContact O-N 3.07Å
237	Y	61.7	Low	72.5	Confident	43 Å²	43	74.3 Å²	74.3	17%	0.169	33%	0.332	C	S	.	.			trans	-68.4	132.8	165.3	-78.8	-93	0	0	0	108.4	H155 M235 E239 K679 H682	H155-Y237 AromaticContact CE1-CE1 3.69Å; H155-Y237 AromaticContact CE1-CE2 3.64Å; H155-Y237 AromaticContact CE1-CZ 3.39Å; H155-Y237 AromaticContact ND1-CE1 3.84Å; H155-Y237 AromaticContact ND1-CE2 3.98Å; H155-Y237 AromaticContact ND1-CZ 3.4Å; H155-Y237 PolarHBondContact ND1-OH 2.87Å; H155-Y237 VanDerWaalsContact ND1-OH 3.16Å; M235-Y237 HydrophobicContact CB-CE2 4.46Å; Y237-E239 PolarHBondContact O-N 3.46Å; Y237-K679 HydrophobicContact CD1-CB 4.12Å; Y237-K679 HydrophobicContact CD2-CB 3.82Å; Y237-K679 HydrophobicContact CD2-CD 4.36Å; Y237-K679 HydrophobicContact CE1-CB 3.75Å; Y237-K679 HydrophobicContact CE2-CB 3.44Å; Y237-K679 VanDerWaalsContact CE2-CB 3.44Å; Y237-K679 HydrophobicContact CG-CB 4.15Å; Y237-K679 HydrophobicContact CG-CD 4.49Å; Y237-H682 PolarHBondContact OH-CD2 3.11Å
238	R	53.4	Low	72.5	Confident	179 Å²	179	74.8 Å²	74.8	68%	0.675	33%	0.333	S	S	*	.			trans	-70.1	126.9	168.2	-152.8	165.4	81.9	-166.3	-6.4	106.9	D240 D241	R238-D240 IonicContact CZ-OD2 2.62Å; R238-D240 IonicContact NE-OD2 3.69Å; R238-D240 PolarHBondContact NE-OD2 2.91Å; R238-D240 IonicContact NH2-OD2 3.47Å; R238-D240 PolarHBondContact O-N 3.49Å; R238-D241 PolarHBondContact O-N 2.83Å
239	E	49.9	Very low	72.7	Confident	111 Å²	111	74.6 Å²	74.6	52%	0.519	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-61.8	-12.9	-174.6	-70.7	-175	-165.8	0	0	114.4	Y237 D241 K244	Y237-E239 PolarHBondContact O-N 3.46Å; E239-D241 PolarHBondContact O-N 3.15Å; E239-K244 WeakPolarHBondContact O-CE 3.42Å; E239-K244 IonicContact OE2-NZ 2.85Å; E239-K244 PolarHBondContact OE2-NZ 3.3Å
240	D	47.9	Very low	73	Confident	109 Å²	109	68.2 Å²	68.2	58%	0.583	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.8	-12.4	176.2	-61.1	-29.9	0	0	0	114.5	R238	R238-D240 IonicContact CZ-OD2 2.62Å; R238-D240 IonicContact NE-OD2 3.69Å; R238-D240 PolarHBondContact NE-OD2 2.91Å; R238-D240 IonicContact NH2-OD2 3.47Å; R238-D240 PolarHBondContact O-N 3.49Å
241	D	48.5	Very low	73	Confident	74 Å²	74	63.9 Å²	63.9	40%	0.396	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-85.7	-16.6	-174.8	-74.7	-27	0	0	0	114.4	R238 E239	R238-D241 PolarHBondContact O-N 2.83Å; E239-D241 PolarHBondContact O-N 3.15Å
242	L	55.8	Low	73.2	Confident	74 Å²	74	64.5 Å²	64.5	39%	0.387	31%	0.308	S	S	.	.	S	Bend	trans	-88.4	131.6	170.3	-78.7	147.4	0	0	0	108.2	K244	L242-K244 HydrophobicContact CB-CG 4.06Å; L242-K244 PolarHBondContact O-N 3.44Å
243	V	62.5	Low	73.4	Confident	22 Å²	22	64.1 Å²	64.1	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	74.8	170.1	-169.3	0	0	0	0	108.4	R245 T246 Q772 Y774	V243-R245 PolarHBondContact O-N 3Å; V243-R245 VanDerWaalsContact O-N 3.08Å; V243-T246 WeakPolarHBondContact CG1-OG1 3.33Å; V243-T246 PolarHBondContact O-N 3.18Å; V243-T246 VanDerWaalsContact O-N 3.08Å; V243-Q772 VanDerWaalsContact CG2-OE1 3.31Å; V243-Y774 VanDerWaalsContact CB-OH 3.22Å; V243-Y774 WeakPolarHBondContact CB-OH 3.47Å; V243-Y774 HydrophobicContact CG1-CE2 4.03Å; V243-Y774 WeakPolarHBondContact CG2-OH 3.42Å
244	K	71.1	Confident	73.5	Confident	50 Å²	50	66 Å²	66	22%	0.217	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-18.2	-176.6	-69.2	-178.2	179.7	-174.3	0	112.5	E239 L242 E374 T377	E239-K244 WeakPolarHBondContact O-CE 3.42Å; E239-K244 IonicContact OE2-NZ 2.85Å; E239-K244 PolarHBondContact OE2-NZ 3.3Å; L242-K244 HydrophobicContact CB-CG 4.06Å; L242-K244 PolarHBondContact O-N 3.44Å; K244-E374 HydrophobicContact CB-CB 4.26Å; K244-E374 HydrophobicContact CB-CG 3.78Å; K244-E374 VanDerWaalsContact CD-OE2 3.24Å; K244-E374 WeakPolarHBondContact CD-OE2 3.37Å; K244-T377 WeakPolarHBondContact O-CB 3.39Å; K244-T377 WeakPolarHBondContact O-CG2 3.27Å; K244-T377 PolarHBondContact O-OG1 2.7Å
245	R	83.7	Confident	73.8	Confident	93 Å²	93	69.4 Å²	69.4	35%	0.351	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-13.1	179.1	-62.4	175.3	89.1	-174.3	7.5	113.6	V243 F371 Q372 E374	V243-R245 PolarHBondContact O-N 3Å; V243-R245 VanDerWaalsContact O-N 3.08Å; R245-F371 WeakPolarHBondContact O-CD2 3.43Å; R245-F371 PolarHBondContact O-N 3.41Å; R245-Q372 PolarHBondContact NE-O 3.31Å; R245-Q372 PolarHBondContact NH2-O 3.08Å; R245-E374 HydrophobicContact CG-CG 3.42Å; R245-E374 VanDerWaalsContact CG-CG 3.42Å
246	T	88.9	Confident	74.3	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.9	-175.3	-53.4	0	0	0	0	111.6	V243 F368 V369 T370 A417 Y774	V243-T246 WeakPolarHBondContact CG1-OG1 3.33Å; V243-T246 PolarHBondContact O-N 3.18Å; V243-T246 VanDerWaalsContact O-N 3.08Å; T246-F368 HydrophobicContact CG2-CB 4.23Å; T246-F368 HydrophobicContact CG2-CD1 4.48Å; T246-V369 CarbonylContact C-O 3.58Å; T246-V369 VanDerWaalsContact CA-O 3.31Å; T246-V369 WeakPolarHBondContact CA-O 3.34Å; T246-V369 WeakPolarHBondContact CG2-O 3.26Å; T246-T370 WeakPolarHBondContact CG2-OG1 3.35Å; T246-T370 WeakPolarHBondContact OG1-CG2 3.26Å; T246-T370 PolarHBondContact OG1-OG1 3.05Å; T246-A417 HydrophobicContact CG2-CB 3.7Å; T246-A417 WeakPolarHBondContact O-CB 3.17Å; T246-A417 PolarHBondContact O-N 3.48Å; T246-Y774 HydrophobicContact CG2-CD2 3.85Å; T246-Y774 HydrophobicContact CG2-CE2 3.66Å; T246-Y774 HydrophobicContact CG2-CG 4.39Å
247	L	90.3	Very high	75.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141	173.5	-62.1	177	0	0	0	110.6	V249 F368 V369 F371 T377 I380 L381 V414 Y416	L247-V249 HydrophobicContact CB-CG2 4.42Å; L247-F368 WeakPolarHBondContact O-CA 3.42Å; L247-V369 PolarHBondContact N-O 3.13Å; L247-V369 PolarHBondContact O-N 2.88Å; L247-F371 HydrophobicContact CB-CE2 4.09Å; L247-F371 HydrophobicContact CD1-CD2 4.37Å; L247-F371 HydrophobicContact CD1-CE2 3.53Å; L247-F371 HydrophobicContact CD1-CZ 4.05Å; L247-F371 HydrophobicContact CG-CD2 4.33Å; L247-F371 HydrophobicContact CG-CE2 3.73Å; L247-T377 HydrophobicContact CD1-CG2 3.91Å; L247-T377 HydrophobicContact CD2-CG2 3.3Å; L247-T377 HydrophobicContact CG-CG2 3.45Å; L247-T377 VanDerWaalsContact CG-CG2 3.45Å; L247-I380 HydrophobicContact CD1-CB 4.07Å; L247-I380 HydrophobicContact CD1-CG2 3.65Å; L247-L381 HydrophobicContact CD2-CB 4.45Å; L247-L381 HydrophobicContact CD2-CD1 4.49Å; L247-V414 HydrophobicContact CB-CG1 4.08Å; L247-V414 HydrophobicContact CD1-CG1 3.74Å; L247-V414 HydrophobicContact CD2-CG1 4.21Å; L247-V414 HydrophobicContact CG-CG1 4.21Å; L247-Y416 HydrophobicContact CD2-CD1 4.04Å; L247-Y416 HydrophobicContact CD2-CE1 4.36Å
248	F	91.1	Very high	76.7	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.3	165.2	179	-114	0	0	0	108.6	N250 M366 F368 T415 A417 W510	F248-N250 HydrophobicContact CE1-CB 4.22Å; F248-M366 HydrophobicContact CE2-CB 4.02Å; F248-M366 HydrophobicContact CE2-CG 4.48Å; F248-M366 HydrophobicContact CE2-SD 4.17Å; F248-M366 HydrophobicContact CZ-CB 4.23Å; F248-M366 HydrophobicContact CZ-CG 4.18Å; F248-M366 HydrophobicContact CZ-SD 3.59Å; F248-M366 VanDerWaalsContact CZ-SD 3.59Å; F248-F368 HydrophobicContact CB-CD1 4.24Å; F248-F368 HydrophobicContact CB-CE1 4.07Å; F248-F368 AromaticContact CD2-CD1 3.87Å; F248-F368 HydrophobicContact CD2-CD1 3.87Å; F248-F368 AromaticContact CD2-CE1 3.41Å; F248-F368 HydrophobicContact CD2-CE1 3.41Å; F248-F368 VanDerWaalsContact CD2-CE1 3.41Å; F248-F368 HydrophobicContact CD2-CE2 4.23Å; F248-F368 HydrophobicContact CD2-CG 4.46Å; F248-F368 AromaticContact CD2-CZ 3.62Å; F248-F368 HydrophobicContact CD2-CZ 3.62Å; F248-F368 HydrophobicContact CE2-CE1 4.2Å; F248-F368 HydrophobicContact CE2-CE2 4.35Å; F248-F368 AromaticContact CE2-CZ 3.92Å; F248-F368 HydrophobicContact CE2-CZ 3.92Å; F248-F368 HydrophobicContact CG-CE1 4.09Å; F248-T415 PolarHBondContact N-O 3.38Å; F248-T415 PolarHBondContact O-N 2.85Å; F248-A417 HydrophobicContact CB-CB 4.33Å; F248-W510 HydrophobicContact CE1-CZ3 4.38Å
249	V	91.8	Very high	78.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.6	-177.5	-176.5	0	0	0	0	108.3	L247 I252 F265 M366 A367 V369 W412 V414	L247-V249 HydrophobicContact CB-CG2 4.42Å; V249-I252 HydrophobicContact CB-CD1 4.05Å; V249-I252 HydrophobicContact CG1-CD1 3.86Å; V249-I252 HydrophobicContact CG1-CG1 3.83Å; V249-F265 HydrophobicContact CG2-CZ 4.32Å; V249-M366 CarbonylContact O-C 3.33Å; V249-M366 VanDerWaalsContact O-CA 3.27Å; V249-M366 WeakPolarHBondContact O-CA 3.35Å; V249-A367 PolarHBondContact N-O 2.83Å; V249-A367 PolarHBondContact O-N 3.36Å; V249-V369 HydrophobicContact CG2-CG2 4.19Å; V249-W412 HydrophobicContact CG1-CB 4.22Å; V249-W412 HydrophobicContact CG1-CD2 3.72Å; V249-W412 HydrophobicContact CG1-CE3 3.54Å; V249-W412 HydrophobicContact CG1-CG 4.07Å; V249-W412 HydrophobicContact CG1-CZ3 4.07Å; V249-V414 HydrophobicContact CG1-CG2 4.33Å; V249-V414 HydrophobicContact CG2-CG1 4.45Å; V249-V414 HydrophobicContact CG2-CG2 4.3Å
250	N	90.5	Very high	80.2	Confident	45 Å²	45	61.4 Å²	61.4	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.4	179	176.1	35.6	0	0	0	110.7	F248 M366 W412 T413	F248-N250 HydrophobicContact CE1-CB 4.22Å; N250-M366 HydrophobicContact CB-CG 4.26Å; N250-M366 WeakPolarHBondContact OD1-CG 3.15Å; N250-W412 CarbonylContact O-C 3.59Å; N250-W412 WeakPolarHBondContact O-CA 3.4Å; N250-T413 WeakPolarHBondContact CB-OG1 3.26Å; N250-T413 PolarHBondContact N-O 2.9Å; N250-T413 PolarHBondContact O-N 2.86Å; N250-T413 PolarHBondContact O-OG1 2.86Å
251	G	86.6	Confident	82.2	Confident	33 Å²	33	56.2 Å²	56.2	34%	0.34	27%	0.265	S	S	.	.	S	Bend	trans	95	21.4	-173.9	0	0	0	0	0	113.5	G365 W412	G251-G365 PolarHBondContact N-O 3.18Å; G251-W412 PolarHBondContact O-NE1 3.26Å
252	I	89.1	Confident	84.3	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.062	26%	0.261	C	S	.	.			trans	-75.8	142	177.1	-54.1	178.7	0	0	0	109.3	V249 A256 I261 G365 A367 W412	V249-I252 HydrophobicContact CB-CD1 4.05Å; V249-I252 HydrophobicContact CG1-CD1 3.86Å; V249-I252 HydrophobicContact CG1-CG1 3.83Å; I252-A256 HydrophobicContact CG2-CB 3.52Å; I252-I261 HydrophobicContact CD1-CD1 4.1Å; I252-I261 HydrophobicContact CG2-CD1 4.13Å; I252-G365 PolarHBondContact N-O 3.1Å; I252-G365 WeakPolarHBondContact O-CA 3.33Å; I252-A367 HydrophobicContact CD1-CB 3.3Å; I252-W412 HydrophobicContact CG1-CZ2 4.11Å; I252-W412 HydrophobicContact CG2-CZ2 4.3Å
253	S	86.7	Confident	85.9	Confident	32 Å²	32	56.8 Å²	56.8	22%	0.224	26%	0.262	C	S	.	.			trans	-57.1	139.2	172.5	-177.8	0	0	0	0	111.4	Y255 A256	S253-Y255 PolarHBondContact O-N 3.41Å; S253-Y255 VanDerWaalsContact O-N 3.17Å; S253-Y255 PolarHBondContact OG-N 3.35Å; S253-A256 VanDerWaalsContact O-CB 3.25Å; S253-A256 WeakPolarHBondContact O-CB 3.41Å; S253-A256 PolarHBondContact O-N 2.96Å; S253-A256 VanDerWaalsContact O-N 3.09Å
254	Q	81.3	Confident	87.2	Confident	126 Å²	126	55.7 Å²	55.7	59%	0.589	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.9	177.7	-69.8	179.9	-3.8	0	0	113.2	P363	Q254-P363 HydrophobicContact CB-CG 4.05Å; Q254-P363 HydrophobicContact CG-CG 4.46Å; Q254-P363 VanDerWaalsContact O-CG 3.26Å; Q254-P363 WeakPolarHBondContact O-CG 3.46Å
255	Y	82.9	Confident	88.2	Confident	194 Å²	194	53.3 Å²	53.3	76%	0.761	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	5.5	178.4	-52.6	-74.4	0	0	0	113.2	S253	S253-Y255 PolarHBondContact O-N 3.41Å; S253-Y255 VanDerWaalsContact O-N 3.17Å; S253-Y255 PolarHBondContact OG-N 3.35Å
256	A	84.1	Confident	88.5	Confident	12 Å²	12	52.2 Å²	52.2	10%	0.099	24%	0.244	C	C	.	.			trans	-71.3	136.5	179.4	0	0	0	0	0	110.9	I252 S253 I261 I279 L407	I252-A256 HydrophobicContact CG2-CB 3.52Å; S253-A256 VanDerWaalsContact O-CB 3.25Å; S253-A256 WeakPolarHBondContact O-CB 3.41Å; S253-A256 PolarHBondContact O-N 2.96Å; S253-A256 VanDerWaalsContact O-N 3.09Å; A256-I261 HydrophobicContact CB-CD1 4.48Å; A256-I279 WeakPolarHBondContact O-CD1 3.47Å; A256-L407 HydrophobicContact CB-CD2 3.42Å; A256-L407 VanDerWaalsContact CB-CD2 3.42Å
257	E	86.7	Confident	88.6	Confident	117 Å²	117	57.3 Å²	57.3	55%	0.547	27%	0.27	S	S	.	.			trans	-94.8	151.7	171.1	-65.2	-173.5	178.6	0	0	111.7	R259 E260 I261	E257-R259 PolarHBondContact O-N 3.38Å; E257-E260 HydrophobicContact CB-CG 4.17Å; E257-E260 PolarHBondContact N-OE2 3.07Å; E257-E260 PolarHBondContact O-N 3.17Å; E257-E260 VanDerWaalsContact O-N 3.08Å; E257-I261 PolarHBondContact O-N 2.83Å
258	E	87.4	Confident	88.5	Confident	63 Å²	63	57.8 Å²	57.8	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-55.1	-38.1	177.3	-65.9	-173.9	160	0	0	112	E260 I261 K262 A277 I279	E258-E260 PolarHBondContact O-N 3.42Å; E258-I261 PolarHBondContact O-N 2.94Å; E258-K262 PolarHBondContact O-N 3.35Å; E258-A277 WeakPolarHBondContact CB-O 3.42Å; E258-A277 VanDerWaalsContact CD-O 3.25Å; E258-A277 WeakPolarHBondContact CG-O 3.16Å; E258-I279 HydrophobicContact CG-CB 4.49Å; E258-I279 HydrophobicContact CG-CD1 3.75Å; E258-I279 HydrophobicContact CG-CG1 3.88Å; E258-I279 PolarHBondContact OE1-N 3.44Å
259	R	88.7	Confident	88.3	Confident	189 Å²	189	57.3 Å²	57.3	71%	0.713	27%	0.272	S	S	*	.	H	α-helix	trans	-64	-40.1	178.4	-64.6	179.8	179.8	-176.2	-0	112.4	E257 K262 Q263	E257-R259 PolarHBondContact O-N 3.38Å; R259-K262 WeakPolarHBondContact O-CB 3.47Å; R259-K262 PolarHBondContact O-N 2.9Å; R259-Q263 WeakPolarHBondContact O-CB 3.38Å; R259-Q263 VanDerWaalsContact O-CG 3.3Å; R259-Q263 WeakPolarHBondContact O-CG 3.5Å; R259-Q263 PolarHBondContact O-N 3.23Å
260	E	89.4	Confident	88	Confident	18 Å²	18	65.4 Å²	65.4	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-68.8	-39.4	-179.6	-63.6	-179.2	152.4	0	0	111.1	E257 E258 K262 Q263 H264 F403 R406 L407	E257-E260 HydrophobicContact CB-CG 4.17Å; E257-E260 PolarHBondContact N-OE2 3.07Å; E257-E260 PolarHBondContact O-N 3.17Å; E257-E260 VanDerWaalsContact O-N 3.08Å; E258-E260 PolarHBondContact O-N 3.42Å; E260-K262 VanDerWaalsContact C-N 3.35Å; E260-Q263 PolarHBondContact O-N 2.96Å; E260-H264 WeakPolarHBondContact O-CB 3.35Å; E260-H264 PolarHBondContact O-N 2.84Å; E260-F403 HydrophobicContact CB-CD1 4.21Å; E260-F403 HydrophobicContact CG-CD1 4.24Å; E260-F403 HydrophobicContact CG-CE1 4.32Å; E260-R406 IonicContact OE1-CZ 3.66Å; E260-R406 IonicContact OE1-NH1 3.65Å; E260-R406 PolarHBondContact OE1-NH1 2.8Å; E260-R406 IonicContact OE1-NH2 2.8Å; E260-R406 PolarHBondContact OE1-NH2 3.45Å; E260-R406 IonicContact OE2-NH2 2.76Å; E260-L407 HydrophobicContact CB-CD2 4.35Å
261	I	90.1	Very high	87.6	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.2	-61.6	166.8	0	0	0	110	I252 A256 E257 E258 H264 F265 A277 I279 A367 V369 L407 W412	I252-I261 HydrophobicContact CD1-CD1 4.1Å; I252-I261 HydrophobicContact CG2-CD1 4.13Å; A256-I261 HydrophobicContact CB-CD1 4.48Å; E257-I261 PolarHBondContact O-N 2.83Å; E258-I261 PolarHBondContact O-N 2.94Å; I261-H264 WeakPolarHBondContact O-CB 3.25Å; I261-H264 PolarHBondContact O-N 3.49Å; I261-F265 HydrophobicContact CG2-CD2 4.09Å; I261-F265 HydrophobicContact CG2-CE2 3.87Å; I261-F265 VanDerWaalsContact O-CD2 3.28Å; I261-F265 WeakPolarHBondContact O-CD2 3.29Å; I261-F265 PolarHBondContact O-N 3.18Å; I261-A277 HydrophobicContact CG2-CB 4.37Å; I261-I279 HydrophobicContact CD1-CD1 4.12Å; I261-I279 HydrophobicContact CD1-CG1 3.95Å; I261-A367 HydrophobicContact CD1-CB 4.3Å; I261-V369 HydrophobicContact CG2-CG2 3.95Å; I261-L407 HydrophobicContact CG1-CD2 4.31Å; I261-W412 HydrophobicContact CG2-CH2 4.46Å
262	K	90.9	Very high	87.6	Confident	74 Å²	74	69.2 Å²	69.2	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-58.3	-53.4	177	-171.7	174	175.9	160.5	0	111.4	E258 R259 E260 H264 F265 E266 V274	E258-K262 PolarHBondContact O-N 3.35Å; R259-K262 WeakPolarHBondContact O-CB 3.47Å; R259-K262 PolarHBondContact O-N 2.9Å; E260-K262 VanDerWaalsContact C-N 3.35Å; K262-H264 VanDerWaalsContact C-N 3.3Å; K262-H264 PolarHBondContact O-N 2.9Å; K262-F265 PolarHBondContact O-N 3.02Å; K262-E266 WeakPolarHBondContact CE-OE1 3.34Å; K262-E266 IonicContact NZ-OE1 2.75Å; K262-E266 WeakPolarHBondContact O-CG 3.29Å; K262-E266 PolarHBondContact O-N 3.49Å; K262-E266 VanDerWaalsContact O-N 3.1Å; K262-V274 HydrophobicContact CD-CB 4.5Å; K262-V274 WeakPolarHBondContact CE-O 3.44Å; K262-V274 HydrophobicContact CG-CB 3.82Å; K262-V274 HydrophobicContact CG-CG1 3.92Å; K262-V274 HydrophobicContact CG-CG2 4.49Å; K262-V274 PolarHBondContact NZ-O 2.77Å
263	Q	89.9	Confident	87.5	Confident	85 Å²	85	72.9 Å²	72.9	40%	0.397	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-35.2	-179.9	-72.4	175.6	-11.2	0	0	112.5	R259 E260 F265 E266 L267 F403	R259-Q263 WeakPolarHBondContact O-CB 3.38Å; R259-Q263 VanDerWaalsContact O-CG 3.3Å; R259-Q263 WeakPolarHBondContact O-CG 3.5Å; R259-Q263 PolarHBondContact O-N 3.23Å; E260-Q263 PolarHBondContact O-N 2.96Å; Q263-F265 PolarHBondContact O-N 3.36Å; Q263-E266 PolarHBondContact O-N 3.23Å; Q263-L267 VanDerWaalsContact O-CB 3.27Å; Q263-L267 WeakPolarHBondContact O-CB 3.25Å; Q263-L267 VanDerWaalsContact O-CG 3.23Å; Q263-L267 WeakPolarHBondContact O-CG 3.24Å; Q263-L267 PolarHBondContact O-N 2.92Å; Q263-F403 HydrophobicContact CB-CD2 4.05Å; Q263-F403 HydrophobicContact CB-CE2 3.71Å; Q263-F403 HydrophobicContact CB-CZ 4.3Å
264	H	90.8	Very high	87.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.6	-50.8	174.7	171.5	48.3	0	0	0	111.7	E260 I261 K262 A268 S401 F403 S404 L407 T409 W412	E260-H264 WeakPolarHBondContact O-CB 3.35Å; E260-H264 PolarHBondContact O-N 2.84Å; I261-H264 WeakPolarHBondContact O-CB 3.25Å; I261-H264 PolarHBondContact O-N 3.49Å; K262-H264 VanDerWaalsContact C-N 3.3Å; K262-H264 PolarHBondContact O-N 2.9Å; H264-A268 WeakPolarHBondContact O-CB 3.44Å; H264-A268 PolarHBondContact O-N 2.87Å; H264-S401 PolarHBondContact ND1-OG 3.39Å; H264-F403 HydrophobicContact CB-CB 4.22Å; H264-S404 PolarHBondContact CE1-OG 3.28Å; H264-S404 PolarHBondContact ND1-OG 3.03Å; H264-L407 HydrophobicContact CB-CD1 3.78Å; H264-T409 WeakPolarHBondContact NE2-CG2 3.17Å; H264-W412 AromaticContact CD2-CH2 3.93Å; H264-W412 AromaticContact CD2-CZ3 3.67Å
265	F	91.3	Very high	87.8	Confident	0 Å²	0	69 Å²	69	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.6	-36.9	-178	-76.2	-66.6	0	0	0	113.1	V249 I261 K262 Q263 Y269 V274 V369 F371 I380 F384 W412	V249-F265 HydrophobicContact CG2-CZ 4.32Å; I261-F265 HydrophobicContact CG2-CD2 4.09Å; I261-F265 HydrophobicContact CG2-CE2 3.87Å; I261-F265 VanDerWaalsContact O-CD2 3.28Å; I261-F265 WeakPolarHBondContact O-CD2 3.29Å; I261-F265 PolarHBondContact O-N 3.18Å; K262-F265 PolarHBondContact O-N 3.02Å; Q263-F265 PolarHBondContact O-N 3.36Å; F265-Y269 HydrophobicContact CD1-CD2 4.21Å; F265-Y269 HydrophobicContact CD1-CE2 4.02Å; F265-Y269 HydrophobicContact CE1-CE2 4.48Å; F265-Y269 PolarHBondContact O-N 3Å; F265-V274 HydrophobicContact CB-CG2 3.76Å; F265-V369 HydrophobicContact CD2-CG1 4.04Å; F265-V369 HydrophobicContact CE2-CB 4.46Å; F265-V369 HydrophobicContact CE2-CG1 4.15Å; F265-V369 HydrophobicContact CE2-CG2 4.06Å; F265-F371 HydrophobicContact CB-CE1 4.04Å; F265-F371 HydrophobicContact CD1-CE1 4.18Å; F265-F371 HydrophobicContact CD1-CZ 4.06Å; F265-F371 HydrophobicContact CD2-CE1 4.48Å; F265-F371 HydrophobicContact CD2-CZ 4.23Å; F265-F371 HydrophobicContact CE1-CZ 4.28Å; F265-F371 HydrophobicContact CE2-CZ 4.45Å; F265-F371 AromaticContact CG-CE1 3.99Å; F265-F371 HydrophobicContact CG-CE1 3.99Å; F265-F371 HydrophobicContact CG-CZ 4.04Å; F265-F371 HydrophobicContact CZ-CZ 4.47Å; F265-I380 HydrophobicContact CD1-CD1 4.01Å; F265-I380 HydrophobicContact CD1-CG2 4.22Å; F265-I380 HydrophobicContact CE1-CD1 4.48Å; F265-I380 HydrophobicContact CE1-CG2 3.69Å; F265-F384 HydrophobicContact CE1-CE2 4.02Å; F265-F384 HydrophobicContact CE1-CZ 4.48Å; F265-W412 AromaticContact CE2-CZ3 3.97Å; F265-W412 HydrophobicContact CE2-CZ3 3.97Å; F265-W412 HydrophobicContact CZ-CE3 4.39Å; F265-W412 AromaticContact CZ-CZ3 3.78Å; F265-W412 HydrophobicContact CZ-CZ3 3.78Å
266	E	90.9	Very high	88	Confident	69 Å²	69	61.8 Å²	61.8	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-67.6	-35	177.5	-68.4	176.9	164.3	0	0	112.1	K262 Q263 V274	K262-E266 WeakPolarHBondContact CE-OE1 3.34Å; K262-E266 IonicContact NZ-OE1 2.75Å; K262-E266 WeakPolarHBondContact O-CG 3.29Å; K262-E266 PolarHBondContact O-N 3.49Å; K262-E266 VanDerWaalsContact O-N 3.1Å; Q263-E266 PolarHBondContact O-N 3.23Å; E266-V274 HydrophobicContact CG-CB 4.4Å; E266-V274 HydrophobicContact CG-CG2 4.02Å
267	L	89.8	Confident	88.3	Confident	110 Å²	110	61.5 Å²	61.5	58%	0.576	30%	0.295	S	S	*	.	H	α-helix	trans	-85.5	-33.1	178.9	-66.8	173	0	0	0	113.5	Q263 F403	Q263-L267 VanDerWaalsContact O-CB 3.27Å; Q263-L267 WeakPolarHBondContact O-CB 3.25Å; Q263-L267 VanDerWaalsContact O-CG 3.23Å; Q263-L267 WeakPolarHBondContact O-CG 3.24Å; Q263-L267 PolarHBondContact O-N 2.92Å; L267-F403 HydrophobicContact CD1-CD2 4.17Å; L267-F403 HydrophobicContact CD1-CE2 3.87Å
268	A	88.1	Confident	88.4	Confident	10 Å²	10	60.5 Å²	60.5	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-77.1	-25.2	-178.9	0	0	0	0	0	112.9	H264 K399	H264-A268 WeakPolarHBondContact O-CB 3.44Å; H264-A268 PolarHBondContact O-N 2.87Å; A268-K399 HydrophobicContact CB-CB 4.29Å; A268-K399 WeakPolarHBondContact O-CD 3.41Å
269	Y	88.4	Confident	88.5	Confident	14 Å²	14	58.4 Å²	58.4	6%	0.055	28%	0.276	C	S	.	.	S	Bend	trans	-126.7	118.8	-175.6	-62.3	-92.9	0	0	0	110.9	F265 C272 I380 D383 F384 K399	F265-Y269 HydrophobicContact CD1-CD2 4.21Å; F265-Y269 HydrophobicContact CD1-CE2 4.02Å; F265-Y269 HydrophobicContact CE1-CE2 4.48Å; F265-Y269 PolarHBondContact O-N 3Å; Y269-C272 WeakPolarHBondContact O-CB 3.3Å; Y269-C272 PolarHBondContact O-N 3.41Å; Y269-I380 HydrophobicContact CD1-CG1 3.78Å; Y269-I380 HydrophobicContact CD2-CD1 4.3Å; Y269-I380 HydrophobicContact CD2-CG1 3.93Å; Y269-I380 HydrophobicContact CE1-CB 4.29Å; Y269-I380 HydrophobicContact CE1-CG1 3.67Å; Y269-I380 HydrophobicContact CE2-CG1 3.85Å; Y269-I380 HydrophobicContact CE2-CG2 4.35Å; Y269-I380 HydrophobicContact CG-CD1 4.43Å; Y269-I380 HydrophobicContact CG-CG1 3.91Å; Y269-D383 HydrophobicContact CE1-CB 4.22Å; Y269-D383 PolarHBondContact OH-OD2 3.18Å; Y269-F384 HydrophobicContact CE2-CE2 4.45Å; Y269-F384 WeakPolarHBondContact OH-CE2 3.34Å; Y269-K399 HydrophobicContact CD1-CD 4.22Å; Y269-K399 HydrophobicContact CE1-CD 4.16Å
270	E	84.1	Confident	88.6	Confident	170 Å²	170	49.7 Å²	49.7	79%	0.794	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	140.3	176.4	-66	167.8	-157.2	0	0	111.7	C272	E270-C272 PolarHBondContact O-N 2.92Å; E270-C272 VanDerWaalsContact O-N 3.14Å
271	N	82.3	Confident	88.6	Confident	150 Å²	150	51.2 Å²	51.2	80%	0.802	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	26.5	-178.4	-57.4	-31.3	0	0	0	114
272	C	85.9	Confident	88.6	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.061	26%	0.261	C	S	.	.			trans	-88.6	120.5	174	-175	0	0	0	0	110.1	Y269 E270 T376	Y269-C272 WeakPolarHBondContact O-CB 3.3Å; Y269-C272 PolarHBondContact O-N 3.41Å; E270-C272 PolarHBondContact O-N 2.92Å; E270-C272 VanDerWaalsContact O-N 3.14Å; C272-T376 HydrophobicContact CB-CG2 3.91Å
273	I	87.4	Confident	88.6	Confident	88 Å²	88	50 Å²	50	45%	0.451	25%	0.247	S	C	.	.			trans	-114.9	118.7	172.5	-58.2	-176.6	0	0	0	107.9	Q372	I273-Q372 HydrophobicContact CB-CB 4.17Å; I273-Q372 HydrophobicContact CG2-CB 4.5Å; I273-Q372 PolarHBondContact O-N 3.42Å
274	V	88.9	Confident	88.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.5	176.7	178.6	0	0	0	0	108	K262 F265 E266 A277 V369 F371	K262-V274 HydrophobicContact CD-CB 4.5Å; K262-V274 WeakPolarHBondContact CE-O 3.44Å; K262-V274 HydrophobicContact CG-CB 3.82Å; K262-V274 HydrophobicContact CG-CG1 3.92Å; K262-V274 HydrophobicContact CG-CG2 4.49Å; K262-V274 PolarHBondContact NZ-O 2.77Å; F265-V274 HydrophobicContact CB-CG2 3.76Å; E266-V274 HydrophobicContact CG-CB 4.4Å; E266-V274 HydrophobicContact CG-CG2 4.02Å; V274-A277 HydrophobicContact CG1-CB 4.39Å; V274-V369 HydrophobicContact CG1-CG1 3.72Å; V274-F371 HydrophobicContact CG2-CD1 3.95Å; V274-F371 HydrophobicContact CG2-CE1 3.76Å
275	L	86.4	Confident	88.5	Confident	76 Å²	76	52.6 Å²	52.6	40%	0.398	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-48.1	178.5	-64.4	177.5	0	0	0	110.4	T370 Q372	L275-T370 HydrophobicContact CB-CG2 4.42Å; L275-T370 HydrophobicContact CD1-CG2 4.34Å; L275-T370 PolarHBondContact N-O 3.47Å; L275-Q372 HydrophobicContact CD2-CB 4.32Å; L275-Q372 HydrophobicContact CG-CB 4.3Å
276	D	87.1	Confident	88.5	Confident	43 Å²	43	52.6 Å²	52.6	23%	0.23	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.7	-176.3	-162.9	15.1	0	0	0	111.2	R278 V369 T370	D276-R278 VanDerWaalsContact CG-NE 3.3Å; D276-R278 IonicContact OD1-CZ 3.52Å; D276-R278 IonicContact OD1-NE 2.77Å; D276-R278 PolarHBondContact OD1-NE 3.26Å; D276-R278 IonicContact OD1-NH2 3.64Å; D276-R278 VanDerWaalsContact OD2-CG 3.32Å; D276-R278 WeakPolarHBondContact OD2-CG 3.43Å; D276-R278 IonicContact OD2-CZ 3.8Å; D276-R278 IonicContact OD2-NE 3.49Å; D276-R278 PolarHBondContact OD2-NE 3.44Å; D276-R278 IonicContact OD2-NH2 3.98Å; D276-V369 CarbonylContact O-C 3.24Å; D276-V369 WeakPolarHBondContact O-CA 3.24Å; D276-T370 PolarHBondContact N-O 2.91Å; D276-T370 PolarHBondContact O-N 3.38Å
277	A	89.6	Confident	88.3	Confident	6 Å²	6	51.2 Å²	51.2	5%	0.05	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	106.6	175.8	0	0	0	0	0	108.4	E258 I261 V274 V369	E258-A277 WeakPolarHBondContact CB-O 3.42Å; E258-A277 VanDerWaalsContact CD-O 3.25Å; E258-A277 WeakPolarHBondContact CG-O 3.16Å; I261-A277 HydrophobicContact CG2-CB 4.37Å; V274-A277 HydrophobicContact CG1-CB 4.39Å; A277-V369 HydrophobicContact CB-CG1 4.39Å; A277-V369 HydrophobicContact CB-CG2 4.38Å
278	R	88.8	Confident	88.4	Confident	95 Å²	95	52.9 Å²	52.9	36%	0.358	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.6	-173	-64.6	-60.9	-175.6	168.2	-0.5	111.4	D276 A367 F368	D276-R278 VanDerWaalsContact CG-NE 3.3Å; D276-R278 IonicContact OD1-CZ 3.52Å; D276-R278 IonicContact OD1-NE 2.77Å; D276-R278 PolarHBondContact OD1-NE 3.26Å; D276-R278 IonicContact OD1-NH2 3.64Å; D276-R278 VanDerWaalsContact OD2-CG 3.32Å; D276-R278 WeakPolarHBondContact OD2-CG 3.43Å; D276-R278 IonicContact OD2-CZ 3.8Å; D276-R278 IonicContact OD2-NE 3.49Å; D276-R278 PolarHBondContact OD2-NE 3.44Å; D276-R278 IonicContact OD2-NH2 3.98Å; R278-A367 CarbonylContact O-C 3.52Å; R278-A367 WeakPolarHBondContact O-CA 3.38Å; R278-A367 VanDerWaalsContact O-CB 3.25Å; R278-A367 WeakPolarHBondContact O-CB 3.43Å; R278-F368 PolarHBondContact N-O 3.37Å; R278-F368 PolarHBondContact O-N 3.15Å
279	I	90.3	Very high	88.5	Confident	19 Å²	19	52.7 Å²	52.7	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	140	174.5	-66	168.1	0	0	0	109.8	A256 E258 I261 Y281 P363 A367	A256-I279 WeakPolarHBondContact O-CD1 3.47Å; E258-I279 HydrophobicContact CG-CB 4.49Å; E258-I279 HydrophobicContact CG-CD1 3.75Å; E258-I279 HydrophobicContact CG-CG1 3.88Å; E258-I279 PolarHBondContact OE1-N 3.44Å; I261-I279 HydrophobicContact CD1-CD1 4.12Å; I261-I279 HydrophobicContact CD1-CG1 3.95Å; I279-Y281 HydrophobicContact CB-CE2 4.24Å; I279-Y281 HydrophobicContact CG2-CE1 4.32Å; I279-Y281 HydrophobicContact CG2-CE2 4.35Å; I279-Y281 WeakPolarHBondContact O-CD2 3.05Å; I279-Y281 VanDerWaalsContact O-CE2 3.3Å; I279-Y281 WeakPolarHBondContact O-CE2 3.41Å; I279-P363 HydrophobicContact CG2-CB 4.35Å; I279-A367 HydrophobicContact CG1-CB 4.45Å
280	C	90.3	Very high	88.5	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.8	175.7	-60.5	0	0	0	0	111	L364 M366 F368 L428	C280-L364 HydrophobicContact CB-CB 4.47Å; C280-L364 HydrophobicContact CB-CD1 4.31Å; C280-L364 WeakPolarHBondContact O-CB 3.1Å; C280-L364 PolarHBondContact O-N 2.92Å; C280-M366 HydrophobicContact CB-CB 4Å; C280-M366 PolarHBondContact N-O 3.21Å; C280-F368 WeakPolarHBondContact SG-CE2 3.4Å; C280-L428 HydrophobicContact CB-CD2 4.24Å
281	Y	89.8	Confident	88.5	Confident	49 Å²	49	47.7 Å²	47.7	19%	0.192	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	158.2	177.4	-59.7	-83.1	0	0	0	111.6	I279 V283 I359 P363 L779	I279-Y281 HydrophobicContact CB-CE2 4.24Å; I279-Y281 HydrophobicContact CG2-CE1 4.32Å; I279-Y281 HydrophobicContact CG2-CE2 4.35Å; I279-Y281 WeakPolarHBondContact O-CD2 3.05Å; I279-Y281 VanDerWaalsContact O-CE2 3.3Å; I279-Y281 WeakPolarHBondContact O-CE2 3.41Å; Y281-V283 PolarHBondContact O-N 3.18Å; Y281-I359 WeakPolarHBondContact CD1-O 3.29Å; Y281-I359 HydrophobicContact CG-CG1 4.39Å; Y281-P363 HydrophobicContact CD1-CB 4.44Å; Y281-P363 HydrophobicContact CE1-CB 4.34Å; Y281-L779 HydrophobicContact CD2-CD1 4.48Å
282	D	90.6	Very high	88.8	Confident	45 Å²	45	43.5 Å²	43.5	24%	0.241	21%	0.213	C	C	.	.			trans	-70.3	96.8	170.9	-177.1	10.1	0	0	0	111.2	S284 I359 K362 L364 S429	D282-S284 WeakPolarHBondContact OD1-CB 3.46Å; D282-S284 PolarHBondContact OD1-N 3.27Å; D282-S284 PolarHBondContact OD1-OG 3.49Å; D282-I359 WeakPolarHBondContact O-CD1 3.33Å; D282-K362 HydrophobicContact CB-CB 4.08Å; D282-K362 HydrophobicContact CB-CD 4.31Å; D282-K362 PolarHBondContact N-O 3.25Å; D282-K362 VanDerWaalsContact N-O 3.15Å; D282-L364 HydrophobicContact CB-CD2 4.08Å; D282-S429 WeakPolarHBondContact OD1-CB 3.19Å
283	V	89.9	Confident	88.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	22%	0.219	C	C	.	.			trans	-96.7	-2.3	178.5	-67.4	0	0	0	0	113.5	Y281 K285 L286 M287 I359 W425 C776 V778 L779	Y281-V283 PolarHBondContact O-N 3.18Å; V283-K285 PolarHBondContact O-N 3.45Å; V283-L286 WeakPolarHBondContact O-CB 3.28Å; V283-L286 PolarHBondContact O-N 3.36Å; V283-M287 HydrophobicContact CB-CG 4.24Å; V283-M287 HydrophobicContact CB-SD 4.46Å; V283-M287 HydrophobicContact CG2-CG 4.25Å; V283-M287 HydrophobicContact CG2-SD 3.82Å; V283-M287 WeakPolarHBondContact O-CG 3.32Å; V283-M287 PolarHBondContact O-N 3.42Å; V283-I359 HydrophobicContact CB-CD1 4.42Å; V283-I359 HydrophobicContact CG1-CD1 3.76Å; V283-W425 HydrophobicContact CG2-CB 4.18Å; V283-C776 HydrophobicContact CG1-CB 4.28Å; V283-C776 HydrophobicContact CG2-CB 4.36Å; V283-V778 HydrophobicContact CB-CG2 4.37Å; V283-L779 HydrophobicContact CG1-CD1 3.46Å; V283-L779 VanDerWaalsContact CG1-CD1 3.46Å; V283-L779 HydrophobicContact CG1-CD2 4.27Å; V283-L779 HydrophobicContact CG1-CG 3.8Å
284	S	88.6	Confident	88.8	Confident	31 Å²	31	45.3 Å²	45.3	22%	0.217	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-49.8	-167.1	-33.1	0	0	0	0	112.2	D282 Y288 E426 S429	D282-S284 WeakPolarHBondContact OD1-CB 3.46Å; D282-S284 PolarHBondContact OD1-N 3.27Å; D282-S284 PolarHBondContact OD1-OG 3.49Å; S284-Y288 PolarHBondContact O-N 3.38Å; S284-E426 PolarHBondContact OG-O 3.42Å; S284-E426 VanDerWaalsContact OG-O 3.11Å; S284-S429 PolarHBondContact OG-OG 2.79Å
285	K	89.9	Confident	88.6	Confident	110 Å²	110	47.7 Å²	47.7	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-70.3	-36	178	-173.9	175.7	171.3	-154.6	0	112.6	V283 Y288 L289 E355	V283-K285 PolarHBondContact O-N 3.45Å; K285-Y288 PolarHBondContact O-N 3.23Å; K285-L289 HydrophobicContact CG-CD1 4.23Å; K285-L289 WeakPolarHBondContact O-CG 3.27Å; K285-L289 PolarHBondContact O-N 3Å; K285-E355 HydrophobicContact CB-CG 4.43Å; K285-E355 HydrophobicContact CD-CG 4.24Å; K285-E355 WeakPolarHBondContact CD-OE2 3.48Å; K285-E355 WeakPolarHBondContact CE-OE2 3.31Å; K285-E355 HydrophobicContact CG-CG 4.3Å; K285-E355 IonicContact NZ-OE2 2.74Å; K285-E355 PolarHBondContact NZ-OE2 3.1Å
286	L	90.7	Very high	88.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-39.2	179.2	-169.9	70.3	0	0	0	111.5	V283 L289 S290 Y352 E355 R356 I359 V778 L779	V283-L286 WeakPolarHBondContact O-CB 3.28Å; V283-L286 PolarHBondContact O-N 3.36Å; L286-L289 PolarHBondContact O-N 3.46Å; L286-S290 WeakPolarHBondContact O-CB 3.44Å; L286-S290 PolarHBondContact O-N 2.96Å; L286-Y352 HydrophobicContact CD1-CD2 3.36Å; L286-Y352 HydrophobicContact CD1-CE2 3.31Å; L286-Y352 HydrophobicContact CD1-CG 4.04Å; L286-Y352 HydrophobicContact CD2-CE2 4.27Å; L286-Y352 HydrophobicContact CG-CD2 4.03Å; L286-Y352 HydrophobicContact CG-CE2 3.58Å; L286-E355 HydrophobicContact CD1-CB 4.19Å; L286-E355 HydrophobicContact CD1-CG 4.49Å; L286-R356 HydrophobicContact CD1-CB 4.03Å; L286-I359 HydrophobicContact CB-CD1 4.31Å; L286-I359 HydrophobicContact CD2-CD1 3.71Å; L286-V778 HydrophobicContact CD2-CB 4.14Å; L286-V778 HydrophobicContact CD2-CG2 4.12Å; L286-V778 HydrophobicContact CG-CB 4.34Å; L286-V778 HydrophobicContact CG-CG2 4.39Å; L286-L779 HydrophobicContact CD2-CD2 4.12Å
287	M	88.6	Confident	88.6	Confident	40 Å²	40	46.2 Å²	46.2	20%	0.197	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-46.5	174.1	-73.4	-174.4	68.5	0	0	111.7	V283 L289 S290 S291 W425 E426 C776 V778	V283-M287 HydrophobicContact CB-CG 4.24Å; V283-M287 HydrophobicContact CB-SD 4.46Å; V283-M287 HydrophobicContact CG2-CG 4.25Å; V283-M287 HydrophobicContact CG2-SD 3.82Å; V283-M287 WeakPolarHBondContact O-CG 3.32Å; V283-M287 PolarHBondContact O-N 3.42Å; M287-L289 PolarHBondContact O-N 2.69Å; M287-S290 PolarHBondContact O-N 3.27Å; M287-S291 WeakPolarHBondContact O-CB 3.47Å; M287-S291 PolarHBondContact O-N 3.5Å; M287-W425 HydrophobicContact CE-CB 4.29Å; M287-W425 HydrophobicContact SD-CB 3.66Å; M287-E426 HydrophobicContact CB-CG 4.24Å; M287-E426 HydrophobicContact CE-CG 3.63Å; M287-E426 WeakPolarHBondContact CE-OE1 3.15Å; M287-E426 HydrophobicContact SD-CG 3.55Å; M287-E426 VanDerWaalsContact SD-CG 3.55Å; M287-C776 PolarHBondContact SD-SG 3.41Å; M287-V778 HydrophobicContact CG-CG1 4.41Å; M287-V778 HydrophobicContact CG-CG2 3.58Å
288	Y	90	Very high	88.4	Confident	144 Å²	144	50.2 Å²	50.2	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-56.9	-51.1	174.9	174.2	-99	0	0	0	111.8	S284 K285 S290 S291 E292	S284-Y288 PolarHBondContact O-N 3.38Å; K285-Y288 PolarHBondContact O-N 3.23Å; Y288-S290 VanDerWaalsContact C-N 3.33Å; Y288-S290 PolarHBondContact O-N 3.39Å; Y288-S291 PolarHBondContact O-N 3.01Å; Y288-E292 HydrophobicContact CE1-CG 4.2Å; Y288-E292 HydrophobicContact CE2-CG 4.05Å; Y288-E292 PolarHBondContact O-N 3.22Å
289	L	90.9	Very high	88.3	Confident	6 Å²	6	46 Å²	46	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-40.1	178.2	-71.7	171.3	0	0	0	112.4	K285 L286 M287 R293 L348 E351 Y352 E355	K285-L289 HydrophobicContact CG-CD1 4.23Å; K285-L289 WeakPolarHBondContact O-CG 3.27Å; K285-L289 PolarHBondContact O-N 3Å; L286-L289 PolarHBondContact O-N 3.46Å; M287-L289 PolarHBondContact O-N 2.69Å; L289-R293 VanDerWaalsContact O-CB 3.25Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 PolarHBondContact O-N 2.98Å; L289-L348 HydrophobicContact CD2-CD2 4.09Å; L289-E351 HydrophobicContact CD1-CB 4.23Å; L289-E351 HydrophobicContact CD2-CB 4.18Å; L289-Y352 HydrophobicContact CB-CD2 4.41Å; L289-E355 HydrophobicContact CD1-CB 4.15Å
290	S	88.5	Confident	88.1	Confident	11 Å²	11	47.3 Å²	47.3	8%	0.077	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-42.2	176.3	-177.5	0	0	0	0	112.4	L286 M287 Y288 R293 K294 V778	L286-S290 WeakPolarHBondContact O-CB 3.44Å; L286-S290 PolarHBondContact O-N 2.96Å; M287-S290 PolarHBondContact O-N 3.27Å; Y288-S290 VanDerWaalsContact C-N 3.33Å; Y288-S290 PolarHBondContact O-N 3.39Å; S290-R293 PolarHBondContact O-N 3.29Å; S290-K294 WeakPolarHBondContact O-CB 3.43Å; S290-K294 WeakPolarHBondContact O-CG 3.38Å; S290-K294 PolarHBondContact O-N 2.72Å; S290-V778 VanDerWaalsContact CB-CG1 3.41Å; S290-V778 WeakPolarHBondContact OG-CG1 3.25Å
291	S	84.8	Confident	88	Confident	69 Å²	69	53.4 Å²	53.4	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-48.6	177	-172.9	0	0	0	0	111.4	M287 Y288 R293 K294 K295	M287-S291 WeakPolarHBondContact O-CB 3.47Å; M287-S291 PolarHBondContact O-N 3.5Å; Y288-S291 PolarHBondContact O-N 3.01Å; S291-R293 PolarHBondContact O-N 3.43Å; S291-K294 PolarHBondContact O-N 3.49Å; S291-K295 WeakPolarHBondContact O-CB 3.28Å; S291-K295 PolarHBondContact O-N 3.33Å
292	E	87.8	Confident	87.8	Confident	61 Å²	61	52.6 Å²	52.6	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-39.1	177.6	-72.7	-62.2	102.7	0	0	111.8	Y288 K295 A296 L348	Y288-E292 HydrophobicContact CE1-CG 4.2Å; Y288-E292 HydrophobicContact CE2-CG 4.05Å; Y288-E292 PolarHBondContact O-N 3.22Å; E292-K295 WeakPolarHBondContact O-CB 3.46Å; E292-K295 PolarHBondContact O-N 3.35Å; E292-A296 PolarHBondContact O-N 3.23Å; E292-L348 HydrophobicContact CB-CD1 4.13Å; E292-L348 HydrophobicContact CB-CD2 4.26Å
293	R	88.4	Confident	87.6	Confident	47 Å²	47	50.6 Å²	50.6	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-51.3	174.5	-172.8	-171.9	71.3	73.2	-5.2	111.3	L289 S290 S291 K295 A296 E297 L348	L289-R293 VanDerWaalsContact O-CB 3.25Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 PolarHBondContact O-N 2.98Å; S290-R293 PolarHBondContact O-N 3.29Å; S291-R293 PolarHBondContact O-N 3.43Å; R293-K295 PolarHBondContact O-N 2.94Å; R293-A296 PolarHBondContact O-N 3.39Å; R293-A296 VanDerWaalsContact O-N 3.16Å; R293-E297 IonicContact CZ-OE2 3.87Å; R293-E297 IonicContact NH1-OE2 3.35Å; R293-E297 PolarHBondContact NH1-OE2 3.39Å; R293-E297 WeakPolarHBondContact O-CB 3.39Å; R293-E297 PolarHBondContact O-N 2.8Å; R293-L348 HydrophobicContact CB-CB 4.22Å; R293-L348 HydrophobicContact CG-CB 4.47Å
294	K	84.8	Confident	87.4	Confident	88 Å²	88	53.3 Å²	53.3	38%	0.383	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-31.4	177.7	-73.6	-177.9	-179.8	-173.6	0	112.1	S290 S291 R298	S290-K294 WeakPolarHBondContact O-CB 3.43Å; S290-K294 WeakPolarHBondContact O-CG 3.38Å; S290-K294 PolarHBondContact O-N 2.72Å; S291-K294 PolarHBondContact O-N 3.49Å; K294-R298 WeakPolarHBondContact O-CB 3.3Å; K294-R298 WeakPolarHBondContact O-CG 3.49Å; K294-R298 PolarHBondContact O-N 2.8Å; K294-R298 VanDerWaalsContact O-N 3.16Å; K294-R298 PolarHBondContact O-NE 2.87Å
295	K	85	Confident	87.3	Confident	51 Å²	51	55.3 Å²	55.3	22%	0.222	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-45.1	174.9	-175.5	-177	173.4	-168.5	0	110.9	S291 E292 R293 R298 N299 E611	S291-K295 WeakPolarHBondContact O-CB 3.28Å; S291-K295 PolarHBondContact O-N 3.33Å; E292-K295 WeakPolarHBondContact O-CB 3.46Å; E292-K295 PolarHBondContact O-N 3.35Å; R293-K295 PolarHBondContact O-N 2.94Å; K295-R298 PolarHBondContact O-N 3.34Å; K295-N299 PolarHBondContact O-N 3.12Å; K295-N299 PolarHBondContact O-ND2 3.01Å; K295-E611 VanDerWaalsContact CE-OE1 3.26Å; K295-E611 WeakPolarHBondContact CE-OE1 3.35Å; K295-E611 IonicContact NZ-OE1 3.2Å; K295-E611 PolarHBondContact NZ-OE1 3.24Å
296	A	87.8	Confident	87.1	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-44.3	175.2	0	0	0	0	0	112	E292 R293 R298 N299 K300 Y341 L344 L348	E292-A296 PolarHBondContact O-N 3.23Å; R293-A296 PolarHBondContact O-N 3.39Å; R293-A296 VanDerWaalsContact O-N 3.16Å; A296-R298 PolarHBondContact O-N 2.86Å; A296-N299 PolarHBondContact O-N 2.83Å; A296-K300 WeakPolarHBondContact O-CB 3.39Å; A296-K300 PolarHBondContact O-N 3.27Å; A296-Y341 HydrophobicContact CB-CD1 4.46Å; A296-L344 HydrophobicContact CB-CD2 4.19Å; A296-L344 HydrophobicContact CB-CG 4.35Å; A296-L348 HydrophobicContact CB-CD1 4.14Å
297	E	86.5	Confident	86.8	Confident	87 Å²	87	53.1 Å²	53.1	41%	0.407	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-45.6	177.2	-172.7	-179.8	166.3	0	0	111.9	R293 N299 K300 K301	R293-E297 IonicContact CZ-OE2 3.87Å; R293-E297 IonicContact NH1-OE2 3.35Å; R293-E297 PolarHBondContact NH1-OE2 3.39Å; R293-E297 WeakPolarHBondContact O-CB 3.39Å; R293-E297 PolarHBondContact O-N 2.8Å; E297-N299 PolarHBondContact O-N 2.86Å; E297-K300 PolarHBondContact O-N 2.89Å; E297-K301 PolarHBondContact O-N 3.31Å
298	R	84	Confident	86.7	Confident	90 Å²	90	56.6 Å²	56.6	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-39.1	174.9	-77.5	178.5	-80.6	150.4	-21	112.9	K294 K295 A296 F302 N614 H618	K294-R298 WeakPolarHBondContact O-CB 3.3Å; K294-R298 WeakPolarHBondContact O-CG 3.49Å; K294-R298 PolarHBondContact O-N 2.8Å; K294-R298 VanDerWaalsContact O-N 3.16Å; K294-R298 PolarHBondContact O-NE 2.87Å; K295-R298 PolarHBondContact O-N 3.34Å; A296-R298 PolarHBondContact O-N 2.86Å; R298-F302 PolarHBondContact O-N 2.95Å; R298-F302 VanDerWaalsContact O-N 3.13Å; R298-N614 PolarHBondContact NH1-OD1 3.32Å; R298-N614 VanDerWaalsContact NH1-OD1 3.11Å; R298-H618 PolarHBondContact NH1-CE1 3.18Å; R298-H618 PolarHBondContact NH1-NE2 2.95Å
299	N	86.6	Confident	86.5	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.027	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-44.6	176.4	-70.7	-23.4	0	0	0	111.1	K295 A296 E297 F302 F303 Y341 A610 N614	K295-N299 PolarHBondContact O-N 3.12Å; K295-N299 PolarHBondContact O-ND2 3.01Å; A296-N299 PolarHBondContact O-N 2.83Å; E297-N299 PolarHBondContact O-N 2.86Å; N299-F302 WeakPolarHBondContact O-CB 3.45Å; N299-F302 PolarHBondContact O-N 3.34Å; N299-F303 WeakPolarHBondContact O-CD2 3.19Å; N299-F303 PolarHBondContact O-N 3.1Å; N299-F303 VanDerWaalsContact O-N 3.16Å; N299-Y341 HydrophobicContact CB-CD1 3.74Å; N299-Y341 HydrophobicContact CB-CD2 4.07Å; N299-Y341 HydrophobicContact CB-CE1 3.52Å; N299-Y341 HydrophobicContact CB-CE2 3.89Å; N299-Y341 HydrophobicContact CB-CG 4.01Å; N299-Y341 VanDerWaalsContact ND2-CE1 3.29Å; N299-Y341 WeakPolarHBondContact ND2-CE1 3.26Å; N299-A610 HydrophobicContact CB-CB 4.02Å; N299-A610 WeakPolarHBondContact OD1-CB 3.48Å; N299-N614 PolarHBondContact OD1-ND2 3.48Å
300	K	87.9	Confident	86	Confident	47 Å²	47	59.9 Å²	59.9	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-50.7	175.9	-178.5	-174.1	175.5	-172.9	0	111.2	A296 E297 F302 F303 L304 T342 E345	A296-K300 WeakPolarHBondContact O-CB 3.39Å; A296-K300 PolarHBondContact O-N 3.27Å; E297-K300 PolarHBondContact O-N 2.89Å; K300-F302 VanDerWaalsContact C-N 3.28Å; K300-F302 PolarHBondContact O-N 3.07Å; K300-F303 PolarHBondContact O-N 2.81Å; K300-F303 VanDerWaalsContact O-N 3.12Å; K300-L304 HydrophobicContact CG-CD1 4.04Å; K300-L304 HydrophobicContact CG-CG 4.48Å; K300-L304 WeakPolarHBondContact O-CG 3.18Å; K300-L304 PolarHBondContact O-N 3.1Å; K300-T342 VanDerWaalsContact CE-OG1 3.31Å; K300-T342 WeakPolarHBondContact CE-OG1 3.14Å; K300-E345 WeakPolarHBondContact CD-OE2 3.4Å; K300-E345 IonicContact NZ-OE2 2.78Å; K300-E345 PolarHBondContact NZ-OE2 2.94Å
301	K	86.6	Confident	85.5	Confident	135 Å²	135	67.1 Å²	67.1	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-56.3	-43.1	177.8	-175.9	172.1	-178.8	171.8	0	111.8	E297 F303 L304 D305	E297-K301 PolarHBondContact O-N 3.31Å; K301-F303 VanDerWaalsContact C-N 3.35Å; K301-F303 PolarHBondContact O-N 2.8Å; K301-L304 PolarHBondContact O-N 2.92Å; K301-D305 WeakPolarHBondContact O-CB 3.49Å; K301-D305 PolarHBondContact O-N 2.89Å
302	F	85.5	Confident	85.1	Confident	32 Å²	32	70.7 Å²	70.7	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-58.8	-43.6	176.6	173.7	-96.1	0	0	0	113.3	R298 N299 K300 L306 A609 A610 R613	R298-F302 PolarHBondContact O-N 2.95Å; R298-F302 VanDerWaalsContact O-N 3.13Å; N299-F302 WeakPolarHBondContact O-CB 3.45Å; N299-F302 PolarHBondContact O-N 3.34Å; K300-F302 VanDerWaalsContact C-N 3.28Å; K300-F302 PolarHBondContact O-N 3.07Å; F302-L306 WeakPolarHBondContact O-CB 3.35Å; F302-L306 PolarHBondContact O-N 3.11Å; F302-L306 VanDerWaalsContact O-N 3.1Å; F302-A609 HydrophobicContact CE1-CB 4.4Å; F302-A610 HydrophobicContact CB-CB 4.17Å; F302-A610 HydrophobicContact CD1-CB 3.43Å; F302-A610 VanDerWaalsContact CD1-CB 3.43Å; F302-A610 HydrophobicContact CE1-CB 4.05Å; F302-A610 HydrophobicContact CG-CB 3.97Å; F302-R613 VanDerWaalsContact CD2-NH1 3.31Å
303	F	86.2	Confident	84.7	Confident	4 Å²	4	74 Å²	74	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-75	-30.5	179.6	-73.6	-67	0	0	0	113	N299 K300 K301 L306 Q307 T314 I316 A337 V338 Y341 A610	N299-F303 WeakPolarHBondContact O-CD2 3.19Å; N299-F303 PolarHBondContact O-N 3.1Å; N299-F303 VanDerWaalsContact O-N 3.16Å; K300-F303 PolarHBondContact O-N 2.81Å; K300-F303 VanDerWaalsContact O-N 3.12Å; K301-F303 VanDerWaalsContact C-N 3.35Å; K301-F303 PolarHBondContact O-N 2.8Å; F303-L306 HydrophobicContact CD1-CD2 4.38Å; F303-L306 PolarHBondContact O-N 3.17Å; F303-Q307 WeakPolarHBondContact O-CB 3.45Å; F303-Q307 PolarHBondContact O-N 3.34Å; F303-T314 HydrophobicContact CD1-CG2 4.44Å; F303-T314 VanDerWaalsContact CD1-OG1 3.24Å; F303-T314 WeakPolarHBondContact CD1-OG1 3.36Å; F303-I316 HydrophobicContact CE1-CG2 4.24Å; F303-I316 HydrophobicContact CZ-CG2 3.94Å; F303-A337 HydrophobicContact CB-CB 4.22Å; F303-A337 HydrophobicContact CD1-CB 3.78Å; F303-A337 HydrophobicContact CD2-CB 3.87Å; F303-A337 HydrophobicContact CE1-CB 4.07Å; F303-A337 HydrophobicContact CE2-CB 4.19Å; F303-A337 HydrophobicContact CG-CB 3.68Å; F303-A337 HydrophobicContact CZ-CB 4.28Å; F303-V338 HydrophobicContact CB-CG2 3.89Å; F303-Y341 AromaticContact CD2-CD2 3.76Å; F303-Y341 HydrophobicContact CD2-CD2 3.76Å; F303-Y341 AromaticContact CD2-CE2 3.64Å; F303-Y341 HydrophobicContact CD2-CE2 3.64Å; F303-Y341 AromaticContact CE2-CD2 3.99Å; F303-Y341 HydrophobicContact CE2-CD2 3.99Å; F303-Y341 AromaticContact CE2-CE2 3.36Å; F303-Y341 HydrophobicContact CE2-CE2 3.36Å; F303-Y341 HydrophobicContact CZ-CE2 4.46Å; F303-A610 HydrophobicContact CD2-CB 4.1Å; F303-A610 HydrophobicContact CE2-CB 3.36Å; F303-A610 HydrophobicContact CZ-CB 3.82Å
304	L	87.5	Confident	84.4	Confident	60 Å²	60	72.9 Å²	72.9	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-50.5	169.9	-72.5	171	0	0	0	111	K300 K301 L306 Q307 D308 V338	K300-L304 HydrophobicContact CG-CD1 4.04Å; K300-L304 HydrophobicContact CG-CG 4.48Å; K300-L304 WeakPolarHBondContact O-CG 3.18Å; K300-L304 PolarHBondContact O-N 3.1Å; K301-L304 PolarHBondContact O-N 2.92Å; L304-L306 PolarHBondContact O-N 3.04Å; L304-L306 VanDerWaalsContact O-N 3.16Å; L304-Q307 WeakPolarHBondContact O-CB 3.27Å; L304-Q307 PolarHBondContact O-N 2.95Å; L304-Q307 VanDerWaalsContact O-N 3.09Å; L304-D308 PolarHBondContact O-N 3.49Å; L304-V338 HydrophobicContact CD2-CG1 3.71Å; L304-V338 HydrophobicContact CD2-CG2 4.11Å; L304-V338 HydrophobicContact CG-CG1 4.3Å; L304-V338 HydrophobicContact CG-CG2 4.39Å
305	D	85.9	Confident	84.3	Confident	72 Å²	72	73.2 Å²	73.2	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-31.7	177.7	-65.3	-14.8	0	0	0	111.9	K301 K309	K301-D305 WeakPolarHBondContact O-CB 3.49Å; K301-D305 PolarHBondContact O-N 2.89Å; D305-K309 VanDerWaalsContact O-CG 3.28Å; D305-K309 WeakPolarHBondContact O-CG 3.47Å; D305-K309 PolarHBondContact O-N 2.62Å
306	L	84.4	Confident	84.2	Confident	16 Å²	16	71.6 Å²	71.6	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-76	-43.2	176.9	-174.1	67	0	0	0	111.7	F302 F303 L304 D308 K309 E310 T314 V828	F302-L306 WeakPolarHBondContact O-CB 3.35Å; F302-L306 PolarHBondContact O-N 3.11Å; F302-L306 VanDerWaalsContact O-N 3.1Å; F303-L306 HydrophobicContact CD1-CD2 4.38Å; F303-L306 PolarHBondContact O-N 3.17Å; L304-L306 PolarHBondContact O-N 3.04Å; L304-L306 VanDerWaalsContact O-N 3.16Å; L306-D308 VanDerWaalsContact C-N 3.31Å; L306-D308 PolarHBondContact O-N 3.4Å; L306-K309 PolarHBondContact O-N 3.19Å; L306-E310 HydrophobicContact CD1-CG 4.23Å; L306-E310 PolarHBondContact O-N 3.38Å; L306-T314 HydrophobicContact CD2-CG2 3.58Å; L306-T314 HydrophobicContact CG-CG2 4.39Å; L306-V828 HydrophobicContact CD2-CG1 4.03Å
307	Q	85.3	Confident	83.8	Confident	49 Å²	49	72.1 Å²	72.1	23%	0.229	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-40.7	175	-178.5	173.5	29.7	0	0	111.6	F303 L304 K309 H311	F303-Q307 WeakPolarHBondContact O-CB 3.45Å; F303-Q307 PolarHBondContact O-N 3.34Å; L304-Q307 WeakPolarHBondContact O-CB 3.27Å; L304-Q307 PolarHBondContact O-N 2.95Å; L304-Q307 VanDerWaalsContact O-N 3.09Å; Q307-K309 VanDerWaalsContact C-N 3.26Å; Q307-K309 PolarHBondContact O-N 2.68Å; Q307-H311 WeakPolarHBondContact O-CA 3.46Å; Q307-H311 PolarHBondContact O-N 2.66Å
308	D	86.4	Confident	83.2	Confident	113 Å²	113	69.3 Å²	69.3	60%	0.604	33%	0.326	S	S	*	.	H	α-helix	trans	-65.2	-31.2	177.5	-69.5	-16.7	0	0	0	112.2	L304 L306 H311	L304-D308 PolarHBondContact O-N 3.49Å; L306-D308 VanDerWaalsContact C-N 3.31Å; L306-D308 PolarHBondContact O-N 3.4Å; D308-H311 PolarHBondContact O-CE1 3.11Å; D308-H311 PolarHBondContact O-ND1 2.96Å
309	K	85.1	Confident	82.8	Confident	155 Å²	155	71 Å²	71	67%	0.674	34%	0.336	S	S	*	.	H	α-helix	trans	-81.3	-48.8	179	-74.4	176.3	-179.9	-170.2	0	112.9	D305 L306 Q307	D305-K309 VanDerWaalsContact O-CG 3.28Å; D305-K309 WeakPolarHBondContact O-CG 3.47Å; D305-K309 PolarHBondContact O-N 2.62Å; L306-K309 PolarHBondContact O-N 3.19Å; Q307-K309 VanDerWaalsContact C-N 3.26Å; Q307-K309 PolarHBondContact O-N 2.68Å
310	E	80.4	Confident	81.7	Confident	63 Å²	63	74.7 Å²	74.7	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-95.6	-10.6	-171	-62.7	-167.9	145	0	0	112.9	L306 E312 R829	L306-E310 HydrophobicContact CD1-CG 4.23Å; L306-E310 PolarHBondContact O-N 3.38Å; E310-E312 PolarHBondContact O-N 3.19Å; E310-R829 IonicContact OE1-NE 2.89Å; E310-R829 IonicContact OE1-NH2 3.48Å
311	H	79.1	Confident	80.6	Confident	163 Å²	163	74.6 Å²	74.6	76%	0.755	37%	0.365	S	S	*	.			trans	58.6	11.6	-177.5	-64	46.1	0	0	0	113.9	Q307 D308	Q307-H311 WeakPolarHBondContact O-CA 3.46Å; Q307-H311 PolarHBondContact O-N 2.66Å; D308-H311 PolarHBondContact O-CE1 3.11Å; D308-H311 PolarHBondContact O-ND1 2.96Å
312	E	75.9	Confident	79.5	Confident	144 Å²	144	68.6 Å²	68.6	67%	0.673	34%	0.341	S	S	*	.	S	Bend	trans	-112.4	149	178.1	-72.5	-167.5	167.1	0	0	112.1	E310	E310-E312 PolarHBondContact O-N 3.19Å
313	K	79.4	Confident	78.6	Confident	131 Å²	131	71.6 Å²	71.6	57%	0.57	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-86.9	116.9	178.3	-71.2	175.7	169	-129.7	0	110.1	E336	K313-E336 VanDerWaalsContact CD-OE1 3.3Å; K313-E336 WeakPolarHBondContact CD-OE1 2.94Å; K313-E336 WeakPolarHBondContact CE-OE1 3.39Å; K313-E336 IonicContact NZ-OE1 3.91Å; K313-E336 PolarHBondContact NZ-OE1 2.71Å; K313-E336 IonicContact NZ-OE2 2.94Å; K313-E336 PolarHBondContact NZ-OE2 3.41Å
314	T	81.6	Confident	77.4	Confident	23 Å²	23	77.6 Å²	77.6	14%	0.141	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-78.4	133.6	176.5	57.2	0	0	0	0	112.6	F303 L306 A337 V828	F303-T314 HydrophobicContact CD1-CG2 4.44Å; F303-T314 VanDerWaalsContact CD1-OG1 3.24Å; F303-T314 WeakPolarHBondContact CD1-OG1 3.36Å; L306-T314 HydrophobicContact CD2-CG2 3.58Å; L306-T314 HydrophobicContact CG-CG2 4.39Å; T314-A337 WeakPolarHBondContact O-CB 3.37Å; T314-A337 PolarHBondContact O-N 3.38Å; T314-A337 WeakPolarHBondContact OG1-CB 3.4Å; T314-V828 HydrophobicContact CG2-CG1 4.5Å
315	M	82.3	Confident	76.2	Confident	96 Å²	96	76.6 Å²	76.6	47%	0.473	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.6	175.2	-60.9	-61.1	-73.3	0	0	110.4	Q334 E336	M315-Q334 HydrophobicContact CB-CB 4.2Å; M315-Q334 HydrophobicContact CE-CB 4.07Å; M315-Q334 WeakPolarHBondContact CE-O 3.46Å; M315-E336 HydrophobicContact SD-CB 4.18Å
316	I	83.1	Confident	74.7	Confident	16 Å²	16	79.2 Å²	79.2	8%	0.082	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.5	178.7	61.8	171.7	0	0	0	111.4	F303 Q334 E335 A337 Y340 Y341	F303-I316 HydrophobicContact CE1-CG2 4.24Å; F303-I316 HydrophobicContact CZ-CG2 3.94Å; I316-Q334 WeakPolarHBondContact O-CA 3.45Å; I316-E335 PolarHBondContact N-O 3.23Å; I316-E335 PolarHBondContact O-N 3.2Å; I316-A337 HydrophobicContact CB-CB 4.44Å; I316-A337 HydrophobicContact CD1-CB 3.95Å; I316-A337 HydrophobicContact CG1-CB 3.98Å; I316-A337 HydrophobicContact CG2-CB 3.73Å; I316-Y340 HydrophobicContact CD1-CD1 3.74Å; I316-Y340 HydrophobicContact CD1-CE1 4.45Å; I316-Y340 HydrophobicContact CD1-CG 4.21Å; I316-Y341 HydrophobicContact CD1-CD2 4.21Å; I316-Y341 HydrophobicContact CD1-CE2 3.59Å
317	N	79.9	Confident	73.3	Confident	13 Å²	13	81.8 Å²	81.8	7%	0.07	43%	0.426	C	S	.	.			trans	-97.4	119	169.3	-178.3	-13.3	0	0	0	109.7	K319 C332	N317-K319 PolarHBondContact O-N 2.87Å; N317-K319 WeakPolarHBondContact OD1-CB 3.47Å; N317-K319 PolarHBondContact OD1-N 2.06Å; N317-C332 WeakPolarHBondContact ND2-CB 3.48Å
318	P	74.1	Confident	72	Confident	28 Å²	28	86.4 Å²	86.4	18%	0.182	45%	0.451	C	S	.	.			trans	-74.1	-4.8	-175.7	28.8	-34.3	0	0	0	114.5	E333 Y340 R607	P318-E333 WeakPolarHBondContact CD-O 3.38Å; P318-Y340 HydrophobicContact CB-CD2 4.23Å; P318-Y340 HydrophobicContact CB-CE2 3.61Å; P318-R607 WeakPolarHBondContact O-CD 3.24Å
319	K	75.4	Confident	70.8	Confident	125 Å²	125	86.2 Å²	86.2	54%	0.543	45%	0.448	S	S	.	.	S	Bend	trans	-80	151.3	178.7	-63.1	-66.6	-177.9	178.5	0	112.3	N317 G322	N317-K319 PolarHBondContact O-N 2.87Å; N317-K319 WeakPolarHBondContact OD1-CB 3.47Å; N317-K319 PolarHBondContact OD1-N 2.06Å; K319-G322 WeakPolarHBondContact O-CA 3.22Å; K319-G322 PolarHBondContact O-N 3.1Å
320	P	64.7	Low	69.3	Low	83 Å²	83	88.6 Å²	88.6	54%	0.539	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.5	171.7	25.2	-33.2	0	0	0	110.5	G322	P320-G322 PolarHBondContact O-N 3.39Å
321	C	64.9	Low	68.2	Low	46 Å²	46	87.9 Å²	87.9	31%	0.311	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	23.3	-171.1	-53.1	0	0	0	0	114.8	H323 L324 S604	C321-H323 PolarHBondContact O-N 2.98Å; C321-L324 HydrophobicContact CB-CD1 4.49Å; C321-L324 PolarHBondContact O-N 3.3Å; C321-S604 PolarHBondContact SG-O 3.35Å; C321-S604 VanDerWaalsContact SG-O 3.42Å
322	G	62.8	Low	67.4	Low	8 Å²	8	81.3 Å²	81.3	8%	0.082	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-54.3	-27.6	-175.5	0	0	0	0	0	115.3	K319 P320 C325	K319-G322 WeakPolarHBondContact O-CA 3.22Å; K319-G322 PolarHBondContact O-N 3.1Å; P320-G322 PolarHBondContact O-N 3.39Å; G322-C325 PolarHBondContact O-N 3.48Å
323	H	65.4	Low	67.3	Low	96 Å²	96	80.9 Å²	80.9	44%	0.444	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-72.4	-24	176.2	174.8	70.7	0	0	0	114.4	C321 C325 R612	C321-H323 PolarHBondContact O-N 2.98Å; H323-C325 PolarHBondContact O-N 3.17Å; H323-R612 PolarHBondContact CD2-NH2 2.98Å; H323-R612 VanDerWaalsContact CD2-NH2 3.33Å
324	L	62.8	Low	67.1	Low	129 Å²	129	79.7 Å²	79.7	68%	0.675	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-77.4	-10.9	173.5	-87.9	95.7	0	0	0	112.7	C321 C326	C321-L324 HydrophobicContact CB-CD1 4.49Å; C321-L324 PolarHBondContact O-N 3.3Å; L324-C326 PolarHBondContact O-N 3.3Å; L324-C326 VanDerWaalsContact O-N 3.15Å
325	C	60.8	Low	67.2	Low	40 Å²	40	82.5 Å²	82.5	27%	0.27	45%	0.446	S	S	.	.			trans	-84.9	89	179.5	-149.7	0	0	0	0	109.7	G322 H323 C327 C332	G322-C325 PolarHBondContact O-N 3.48Å; H323-C325 PolarHBondContact O-N 3.17Å; C325-C327 VanDerWaalsContact C-N 3.26Å; C325-C327 PolarHBondContact O-N 2.88Å; C325-C332 HydrophobicContact CB-CB 3.96Å; C325-C332 WeakPolarHBondContact CB-SG 3.47Å; C325-C332 WeakPolarHBondContact SG-CB 3.46Å; C325-C332 CovalentContact SG-SG 2.05Å; C325-C332 PolarHBondContact SG-SG 2.96Å
326	C	54.2	Low	67.5	Low	126 Å²	126	80.6 Å²	80.6	85%	0.851	44%	0.436	S	S	*	.			trans	-76.7	-5.5	179.7	53.8	0	0	0	0	114.6	L324	L324-C326 PolarHBondContact O-N 3.3Å; L324-C326 VanDerWaalsContact O-N 3.15Å
327	C	56.6	Low	67.6	Low	70 Å²	70	79.9 Å²	79.9	47%	0.473	43%	0.432	S	S	.	.	S	Bend	trans	-129	141.2	-175.8	-62.9	0	0	0	0	111.5	C325 I329	C325-C327 VanDerWaalsContact C-N 3.26Å; C325-C327 PolarHBondContact O-N 2.88Å; C327-I329 HydrophobicContact CB-CD1 4.07Å; C327-I329 HydrophobicContact CB-CG1 3.89Å; C327-I329 PolarHBondContact O-N 3.14Å
328	I	56.3	Low	68	Low	147 Å²	147	80.3 Å²	80.3	75%	0.754	44%	0.435	S	S	*	.			trans	-73.7	76.8	172	-52.6	169.7	0	0	0	108.5
329	I	62.1	Low	68.7	Low	108 Å²	108	82.2 Å²	82.2	55%	0.554	45%	0.449	S	S	*	.			trans	-93.6	148.6	172.4	-58	169.2	0	0	0	107.7	C327 G331 C332	C327-I329 HydrophobicContact CB-CD1 4.07Å; C327-I329 HydrophobicContact CB-CG1 3.89Å; C327-I329 PolarHBondContact O-N 3.14Å; I329-G331 PolarHBondContact O-N 3.32Å; I329-C332 PolarHBondContact O-N 3.06Å
330	K	53	Low	69.4	Low	206 Å²	206	78.1 Å²	78.1	90%	0.896	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	107.4	169.7	-115.2	179.7	177.3	176.8	0	109.5
331	G	58.4	Low	70.7	Confident	47 Å²	47	74.6 Å²	74.6	49%	0.485	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.3	-13.8	-173.6	0	0	0	0	0	116	I329	I329-G331 PolarHBondContact O-N 3.32Å
332	C	62.6	Low	71.9	Confident	25 Å²	25	74.6 Å²	74.6	17%	0.169	41%	0.406	C	S	.	.			trans	-117	53.2	172.9	-71.6	0	0	0	0	111.1	N317 C325 I329	N317-C332 WeakPolarHBondContact ND2-CB 3.48Å; C325-C332 HydrophobicContact CB-CB 3.96Å; C325-C332 WeakPolarHBondContact CB-SG 3.47Å; C325-C332 WeakPolarHBondContact SG-CB 3.46Å; C325-C332 CovalentContact SG-SG 2.05Å; C325-C332 PolarHBondContact SG-SG 2.96Å; I329-C332 PolarHBondContact O-N 3.06Å
333	E	74	Confident	73.4	Confident	135 Å²	135	80.5 Å²	80.5	63%	0.631	43%	0.429	S	S	*	.			trans	-70	131.2	176.4	-69.6	173.4	-169.6	0	0	110.1	P318	P318-E333 WeakPolarHBondContact CD-O 3.38Å
334	Q	74.9	Confident	74.6	Confident	106 Å²	106	77.9 Å²	77.9	50%	0.495	42%	0.418	S	S	.	.			trans	-90.2	132.7	177.6	-69.5	-176.4	-22	0	0	109.8	M315 I316	M315-Q334 HydrophobicContact CB-CB 4.2Å; M315-Q334 HydrophobicContact CE-CB 4.07Å; M315-Q334 WeakPolarHBondContact CE-O 3.46Å; I316-Q334 WeakPolarHBondContact O-CA 3.45Å
335	E	83.6	Confident	76	Confident	83 Å²	83	73.2 Å²	73.2	39%	0.388	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.2	174.9	-65.7	-174	-171.9	0	0	110.1	I316 A337 Y340	I316-E335 PolarHBondContact N-O 3.23Å; I316-E335 PolarHBondContact O-N 3.2Å; E335-A337 PolarHBondContact O-N 3.25Å; E335-Y340 WeakPolarHBondContact OE2-CD2 3.1Å
336	E	87.5	Confident	77.6	Confident	56 Å²	56	74.7 Å²	74.7	26%	0.262	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	124.4	174.7	179.3	177.7	-167.8	0	0	110.2	K313 M315 V338 S339 Y340	K313-E336 VanDerWaalsContact CD-OE1 3.3Å; K313-E336 WeakPolarHBondContact CD-OE1 2.94Å; K313-E336 WeakPolarHBondContact CE-OE1 3.39Å; K313-E336 IonicContact NZ-OE1 3.91Å; K313-E336 PolarHBondContact NZ-OE1 2.71Å; K313-E336 IonicContact NZ-OE2 2.94Å; K313-E336 PolarHBondContact NZ-OE2 3.41Å; M315-E336 HydrophobicContact SD-CB 4.18Å; E336-V338 PolarHBondContact O-N 2.69Å; E336-S339 PolarHBondContact O-N 3.49Å; E336-Y340 PolarHBondContact O-N 3.38Å
337	A	85.6	Confident	79.5	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-46.7	-169.5	0	0	0	0	0	113.4	F303 T314 I316 E335 Y340 Y341	F303-A337 HydrophobicContact CB-CB 4.22Å; F303-A337 HydrophobicContact CD1-CB 3.78Å; F303-A337 HydrophobicContact CD2-CB 3.87Å; F303-A337 HydrophobicContact CE1-CB 4.07Å; F303-A337 HydrophobicContact CE2-CB 4.19Å; F303-A337 HydrophobicContact CG-CB 3.68Å; F303-A337 HydrophobicContact CZ-CB 4.28Å; T314-A337 WeakPolarHBondContact O-CB 3.37Å; T314-A337 PolarHBondContact O-N 3.38Å; T314-A337 WeakPolarHBondContact OG1-CB 3.4Å; I316-A337 HydrophobicContact CB-CB 4.44Å; I316-A337 HydrophobicContact CD1-CB 3.95Å; I316-A337 HydrophobicContact CG1-CB 3.98Å; I316-A337 HydrophobicContact CG2-CB 3.73Å; E335-A337 PolarHBondContact O-N 3.25Å; A337-Y340 PolarHBondContact O-N 3.17Å; A337-Y341 WeakPolarHBondContact O-CD2 3.4Å; A337-Y341 PolarHBondContact O-N 3.47Å
338	V	87.6	Confident	81.3	Confident	22 Å²	22	70.8 Å²	70.8	13%	0.133	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-43.1	-179.8	177.5	0	0	0	0	110.5	F303 L304 E336 T342	F303-V338 HydrophobicContact CB-CG2 3.89Å; L304-V338 HydrophobicContact CD2-CG1 3.71Å; L304-V338 HydrophobicContact CD2-CG2 4.11Å; L304-V338 HydrophobicContact CG-CG1 4.3Å; L304-V338 HydrophobicContact CG-CG2 4.39Å; E336-V338 PolarHBondContact O-N 2.69Å; V338-T342 WeakPolarHBondContact O-CB 3.45Å; V338-T342 PolarHBondContact O-N 3.24Å; V338-T342 PolarHBondContact O-OG1 3.48Å
339	S	90.4	Very high	83	Confident	69 Å²	69	69.4 Å²	69.4	48%	0.483	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-47.6	177.3	-176.2	0	0	0	0	111.5	E336 T342 K343	E336-S339 PolarHBondContact O-N 3.49Å; S339-T342 PolarHBondContact O-N 2.68Å; S339-K343 WeakPolarHBondContact O-CB 3.22Å; S339-K343 PolarHBondContact O-N 3.12Å
340	Y	89.9	Confident	84.5	Confident	39 Å²	39	67.3 Å²	67.3	15%	0.153	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-53.5	176.9	174.4	-98.4	0	0	0	112.2	I316 P318 E335 E336 A337 T342 K343 L344	I316-Y340 HydrophobicContact CD1-CD1 3.74Å; I316-Y340 HydrophobicContact CD1-CE1 4.45Å; I316-Y340 HydrophobicContact CD1-CG 4.21Å; P318-Y340 HydrophobicContact CB-CD2 4.23Å; P318-Y340 HydrophobicContact CB-CE2 3.61Å; E335-Y340 WeakPolarHBondContact OE2-CD2 3.1Å; E336-Y340 PolarHBondContact O-N 3.38Å; A337-Y340 PolarHBondContact O-N 3.17Å; Y340-T342 VanDerWaalsContact C-N 3.3Å; Y340-T342 PolarHBondContact O-N 2.96Å; Y340-K343 PolarHBondContact O-N 3.11Å; Y340-L344 HydrophobicContact CE1-CD2 4.09Å; Y340-L344 WeakPolarHBondContact O-CB 3.37Å; Y340-L344 PolarHBondContact O-N 3.5Å
341	Y	90.3	Very high	86.5	Confident	8 Å²	8	62.2 Å²	62.2	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-30.3	-178.8	-75.1	-65	0	0	0	112.6	A296 N299 F303 I316 A337 L344 E345 S608	A296-Y341 HydrophobicContact CB-CD1 4.46Å; N299-Y341 HydrophobicContact CB-CD1 3.74Å; N299-Y341 HydrophobicContact CB-CD2 4.07Å; N299-Y341 HydrophobicContact CB-CE1 3.52Å; N299-Y341 HydrophobicContact CB-CE2 3.89Å; N299-Y341 HydrophobicContact CB-CG 4.01Å; N299-Y341 VanDerWaalsContact ND2-CE1 3.29Å; N299-Y341 WeakPolarHBondContact ND2-CE1 3.26Å; F303-Y341 AromaticContact CD2-CD2 3.76Å; F303-Y341 HydrophobicContact CD2-CD2 3.76Å; F303-Y341 AromaticContact CD2-CE2 3.64Å; F303-Y341 HydrophobicContact CD2-CE2 3.64Å; F303-Y341 AromaticContact CE2-CD2 3.99Å; F303-Y341 HydrophobicContact CE2-CD2 3.99Å; F303-Y341 AromaticContact CE2-CE2 3.36Å; F303-Y341 HydrophobicContact CE2-CE2 3.36Å; F303-Y341 HydrophobicContact CZ-CE2 4.46Å; I316-Y341 HydrophobicContact CD1-CD2 4.21Å; I316-Y341 HydrophobicContact CD1-CE2 3.59Å; A337-Y341 WeakPolarHBondContact O-CD2 3.4Å; A337-Y341 PolarHBondContact O-N 3.47Å; Y341-L344 HydrophobicContact CD1-CD2 4.23Å; Y341-L344 HydrophobicContact CE1-CD2 4.49Å; Y341-L344 PolarHBondContact O-N 3.31Å; Y341-E345 WeakPolarHBondContact O-CB 3.26Å; Y341-E345 PolarHBondContact O-N 3.02Å; Y341-S608 PolarHBondContact OH-OG 2.94Å
342	T	92	Very high	88.1	Confident	47 Å²	47	61.5 Å²	61.5	29%	0.288	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-46.5	173.1	-60.1	0	0	0	0	110.9	K300 V338 S339 Y340 L344 E345 V346	K300-T342 VanDerWaalsContact CE-OG1 3.31Å; K300-T342 WeakPolarHBondContact CE-OG1 3.14Å; V338-T342 WeakPolarHBondContact O-CB 3.45Å; V338-T342 PolarHBondContact O-N 3.24Å; V338-T342 PolarHBondContact O-OG1 3.48Å; S339-T342 PolarHBondContact O-N 2.68Å; Y340-T342 VanDerWaalsContact C-N 3.3Å; Y340-T342 PolarHBondContact O-N 2.96Å; T342-L344 VanDerWaalsContact C-N 3.34Å; T342-L344 PolarHBondContact O-N 3.42Å; T342-E345 PolarHBondContact O-N 3.14Å; T342-V346 WeakPolarHBondContact O-CG2 3.16Å; T342-V346 PolarHBondContact O-N 3.41Å
343	K	93.3	Very high	89.4	Confident	131 Å²	131	66.3 Å²	66.3	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-61.4	-43.8	175.6	-174.9	178.4	179.1	-178.4	0	111.5	S339 Y340 V346 Q347	S339-K343 WeakPolarHBondContact O-CB 3.22Å; S339-K343 PolarHBondContact O-N 3.12Å; Y340-K343 PolarHBondContact O-N 3.11Å; K343-V346 PolarHBondContact O-N 3.11Å; K343-Q347 VanDerWaalsContact O-CG 3.28Å; K343-Q347 WeakPolarHBondContact O-CG 3.27Å; K343-Q347 PolarHBondContact O-N 3.07Å
344	L	91.4	Very high	90.3	Very high	41 Å²	41	65.9 Å²	65.9	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-42.4	178.3	-177.5	62.7	0	0	0	112	A296 Y340 Y341 T342 Q347 L348	A296-L344 HydrophobicContact CB-CD2 4.19Å; A296-L344 HydrophobicContact CB-CG 4.35Å; Y340-L344 HydrophobicContact CE1-CD2 4.09Å; Y340-L344 WeakPolarHBondContact O-CB 3.37Å; Y340-L344 PolarHBondContact O-N 3.5Å; Y341-L344 HydrophobicContact CD1-CD2 4.23Å; Y341-L344 HydrophobicContact CE1-CD2 4.49Å; Y341-L344 PolarHBondContact O-N 3.31Å; T342-L344 VanDerWaalsContact C-N 3.34Å; T342-L344 PolarHBondContact O-N 3.42Å; L344-Q347 PolarHBondContact O-N 2.91Å; L344-L348 HydrophobicContact CD1-CD1 4.06Å; L344-L348 HydrophobicContact CD1-CG 4.23Å; L344-L348 HydrophobicContact CG-CD1 3.87Å; L344-L348 HydrophobicContact CG-CG 4.44Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.31Å; L344-L348 PolarHBondContact O-N 2.83Å
345	E	91.6	Very high	91.1	Very high	31 Å²	31	61.3 Å²	61.3	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-47.1	176.9	-175.3	-165.9	170	0	0	111.3	K300 Y341 T342 L348 R349	K300-E345 WeakPolarHBondContact CD-OE2 3.4Å; K300-E345 IonicContact NZ-OE2 2.78Å; K300-E345 PolarHBondContact NZ-OE2 2.94Å; Y341-E345 WeakPolarHBondContact O-CB 3.26Å; Y341-E345 PolarHBondContact O-N 3.02Å; T342-E345 PolarHBondContact O-N 3.14Å; E345-L348 PolarHBondContact O-N 3.3Å; E345-R349 VanDerWaalsContact O-CB 3.27Å; E345-R349 WeakPolarHBondContact O-CB 3.13Å; E345-R349 PolarHBondContact O-N 3.49Å
346	V	93.7	Very high	91.4	Very high	71 Å²	71	60.4 Å²	60.4	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-47.2	177.9	172.3	0	0	0	0	110.8	T342 K343 L348 R349 D350	T342-V346 WeakPolarHBondContact O-CG2 3.16Å; T342-V346 PolarHBondContact O-N 3.41Å; K343-V346 PolarHBondContact O-N 3.11Å; V346-L348 PolarHBondContact O-N 2.98Å; V346-R349 PolarHBondContact O-N 3.01Å; V346-D350 PolarHBondContact O-N 3.31Å
347	Q	94.6	Very high	91.5	Very high	96 Å²	96	64.3 Å²	64.3	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-57.4	-49.1	176.6	-74.2	176.6	-13.4	0	0	112	K343 L344 R349 D350 E351	K343-Q347 VanDerWaalsContact O-CG 3.28Å; K343-Q347 WeakPolarHBondContact O-CG 3.27Å; K343-Q347 PolarHBondContact O-N 3.07Å; L344-Q347 PolarHBondContact O-N 2.91Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.47Å; Q347-D350 PolarHBondContact O-N 3.34Å; Q347-E351 WeakPolarHBondContact O-CG 3.19Å; Q347-E351 PolarHBondContact O-N 3.29Å
348	L	93.7	Very high	91.7	Very high	19 Å²	19	69.4 Å²	69.4	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-35.5	178.7	-71.2	170.3	0	0	0	112.2	L289 E292 R293 A296 L344 E345 V346 Y352	L289-L348 HydrophobicContact CD2-CD2 4.09Å; E292-L348 HydrophobicContact CB-CD1 4.13Å; E292-L348 HydrophobicContact CB-CD2 4.26Å; R293-L348 HydrophobicContact CB-CB 4.22Å; R293-L348 HydrophobicContact CG-CB 4.47Å; A296-L348 HydrophobicContact CB-CD1 4.14Å; L344-L348 HydrophobicContact CD1-CD1 4.06Å; L344-L348 HydrophobicContact CD1-CG 4.23Å; L344-L348 HydrophobicContact CG-CD1 3.87Å; L344-L348 HydrophobicContact CG-CG 4.44Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.31Å; L344-L348 PolarHBondContact O-N 2.83Å; E345-L348 PolarHBondContact O-N 3.3Å; V346-L348 PolarHBondContact O-N 2.98Å; L348-Y352 WeakPolarHBondContact O-CB 3.49Å; L348-Y352 PolarHBondContact O-N 2.86Å
349	R	92.5	Very high	91.7	Very high	118 Å²	118	68.8 Å²	68.8	45%	0.445	32%	0.319	S	S	.	.	H	α-helix	trans	-66.1	-42.5	176.5	-167.4	175.3	89.9	165.5	4.9	111.4	E345 V346 Q347 Y352 R353	E345-R349 VanDerWaalsContact O-CB 3.27Å; E345-R349 WeakPolarHBondContact O-CB 3.13Å; E345-R349 PolarHBondContact O-N 3.49Å; V346-R349 PolarHBondContact O-N 3.01Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.47Å; R349-Y352 PolarHBondContact O-N 3.1Å; R349-R353 WeakPolarHBondContact O-CB 2.89Å; R349-R353 PolarHBondContact O-N 3.11Å
350	D	93.9	Very high	91.4	Very high	64 Å²	64	71 Å²	71	34%	0.342	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-42.5	177.8	-72.2	-13.4	0	0	0	111.6	V346 Q347 R353 K354	V346-D350 PolarHBondContact O-N 3.31Å; Q347-D350 PolarHBondContact O-N 3.34Å; D350-R353 PolarHBondContact O-N 3.13Å; D350-K354 WeakPolarHBondContact O-CB 3.12Å; D350-K354 VanDerWaalsContact O-CG 3.29Å; D350-K354 WeakPolarHBondContact O-CG 3.25Å; D350-K354 PolarHBondContact O-N 2.83Å
351	E	94.2	Very high	91.2	Very high	98 Å²	98	77.6 Å²	77.6	46%	0.458	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-42.1	173.6	-74	-172.8	-162.3	0	0	112.2	L289 Q347 K354 E355	L289-E351 HydrophobicContact CD1-CB 4.23Å; L289-E351 HydrophobicContact CD2-CB 4.18Å; Q347-E351 WeakPolarHBondContact O-CG 3.19Å; Q347-E351 PolarHBondContact O-N 3.29Å; E351-K354 PolarHBondContact O-N 3.31Å; E351-E355 WeakPolarHBondContact O-CB 3.42Å; E351-E355 PolarHBondContact O-N 2.98Å
352	Y	92.4	Very high	91	Very high	33 Å²	33	80.9 Å²	80.9	13%	0.129	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-45.6	175.3	174.8	-90.3	0	0	0	111.3	L286 L289 L348 R349 E355 R356 V778	L286-Y352 HydrophobicContact CD1-CD2 3.36Å; L286-Y352 HydrophobicContact CD1-CE2 3.31Å; L286-Y352 HydrophobicContact CD1-CG 4.04Å; L286-Y352 HydrophobicContact CD2-CE2 4.27Å; L286-Y352 HydrophobicContact CG-CD2 4.03Å; L286-Y352 HydrophobicContact CG-CE2 3.58Å; L289-Y352 HydrophobicContact CB-CD2 4.41Å; L348-Y352 WeakPolarHBondContact O-CB 3.49Å; L348-Y352 PolarHBondContact O-N 2.86Å; R349-Y352 PolarHBondContact O-N 3.1Å; Y352-E355 PolarHBondContact O-N 3.41Å; Y352-R356 WeakPolarHBondContact O-CB 3.39Å; Y352-R356 PolarHBondContact O-N 3.21Å; Y352-V778 PolarHBondContact OH-O 3.29Å
353	R	90.9	Very high	90.8	Very high	126 Å²	126	80 Å²	80	48%	0.475	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-48.9	177	-171.5	-175.5	-60.4	177.5	-1.4	111.6	R349 D350 E355 R356 E357	R349-R353 WeakPolarHBondContact O-CB 2.89Å; R349-R353 PolarHBondContact O-N 3.11Å; D350-R353 PolarHBondContact O-N 3.13Å; R353-E355 VanDerWaalsContact C-N 3.28Å; R353-E355 PolarHBondContact O-N 3.4Å; R353-R356 PolarHBondContact O-N 2.7Å; R353-E357 WeakPolarHBondContact O-CG 3.2Å; R353-E357 PolarHBondContact O-N 2.84Å
354	K	92.6	Very high	90.6	Very high	125 Å²	125	75.9 Å²	75.9	54%	0.543	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-36	177.7	-73.3	171.4	-176	171.6	0	112.9	D350 E351 K358	D350-K354 WeakPolarHBondContact O-CB 3.12Å; D350-K354 VanDerWaalsContact O-CG 3.29Å; D350-K354 WeakPolarHBondContact O-CG 3.25Å; D350-K354 PolarHBondContact O-N 2.83Å; E351-K354 PolarHBondContact O-N 3.31Å; K354-K358 WeakPolarHBondContact O-CD 3.36Å; K354-K358 WeakPolarHBondContact O-CE 3.33Å; K354-K358 WeakPolarHBondContact O-CG 3.14Å
355	E	91.6	Very high	90.5	Very high	11 Å²	11	74.3 Å²	74.3	5%	0.051	34%	0.342	C	S	.	.	H	α-helix	trans	-77.5	-37.4	177.2	-164.2	66.2	-147.2	0	0	111.5	K285 L286 L289 E351 Y352 R353 E357 K358 I359 K362	K285-E355 HydrophobicContact CB-CG 4.43Å; K285-E355 HydrophobicContact CD-CG 4.24Å; K285-E355 WeakPolarHBondContact CD-OE2 3.48Å; K285-E355 WeakPolarHBondContact CE-OE2 3.31Å; K285-E355 HydrophobicContact CG-CG 4.3Å; K285-E355 IonicContact NZ-OE2 2.74Å; K285-E355 PolarHBondContact NZ-OE2 3.1Å; L286-E355 HydrophobicContact CD1-CB 4.19Å; L286-E355 HydrophobicContact CD1-CG 4.49Å; L289-E355 HydrophobicContact CD1-CB 4.15Å; E351-E355 WeakPolarHBondContact O-CB 3.42Å; E351-E355 PolarHBondContact O-N 2.98Å; Y352-E355 PolarHBondContact O-N 3.41Å; R353-E355 VanDerWaalsContact C-N 3.28Å; R353-E355 PolarHBondContact O-N 3.4Å; E355-E357 PolarHBondContact O-N 3.41Å; E355-K358 PolarHBondContact O-N 2.92Å; E355-I359 PolarHBondContact O-N 3.2Å; E355-K362 IonicContact OE1-NZ 2.89Å; E355-K362 PolarHBondContact OE1-NZ 3.47Å
356	R	89.5	Confident	90.4	Very high	64 Å²	64	73.1 Å²	73.1	24%	0.242	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-41.7	176.7	-172	172	179	-174.9	-3.8	112.1	L286 Y352 R353 K358 I359 D781 P782	L286-R356 HydrophobicContact CD1-CB 4.03Å; Y352-R356 WeakPolarHBondContact O-CB 3.39Å; Y352-R356 PolarHBondContact O-N 3.21Å; R353-R356 PolarHBondContact O-N 2.7Å; R356-K358 PolarHBondContact O-N 2.92Å; R356-I359 WeakPolarHBondContact O-CB 3.39Å; R356-I359 VanDerWaalsContact O-CG2 3.24Å; R356-I359 WeakPolarHBondContact O-CG2 2.88Å; R356-I359 PolarHBondContact O-N 2.8Å; R356-D781 IonicContact NH2-OD1 2.71Å; R356-D781 PolarHBondContact NH2-OD1 3.32Å; R356-P782 VanDerWaalsContact NH1-CD 3.29Å
357	E	89.8	Confident	90.4	Very high	138 Å²	138	69.7 Å²	69.7	65%	0.645	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.6	175.3	-71.6	169.2	-167.3	0	0	113.3	R353 E355	R353-E357 WeakPolarHBondContact O-CG 3.2Å; R353-E357 PolarHBondContact O-N 2.84Å; E355-E357 PolarHBondContact O-N 3.41Å
358	K	89.9	Confident	90.2	Very high	106 Å²	106	65.3 Å²	65.3	46%	0.461	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.8	-179	-65.5	172	-172.9	175.8	0	113.1	K354 E355 R356 N360 K361	K354-K358 WeakPolarHBondContact O-CD 3.36Å; K354-K358 WeakPolarHBondContact O-CE 3.33Å; K354-K358 WeakPolarHBondContact O-CG 3.14Å; E355-K358 PolarHBondContact O-N 2.92Å; R356-K358 PolarHBondContact O-N 2.92Å; K358-N360 PolarHBondContact O-N 3.33Å; K358-K361 WeakPolarHBondContact O-CB 3.39Å; K358-K361 PolarHBondContact O-N 2.97Å; K358-K361 VanDerWaalsContact O-N 3.12Å
359	I	87.4	Confident	90.2	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.046	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-64.1	-41.7	-169	-155.6	120.4	0	0	0	112.7	Y281 D282 V283 L286 E355 R356 K361 K362 L779	Y281-I359 WeakPolarHBondContact CD1-O 3.29Å; Y281-I359 HydrophobicContact CG-CG1 4.39Å; D282-I359 WeakPolarHBondContact O-CD1 3.33Å; V283-I359 HydrophobicContact CB-CD1 4.42Å; V283-I359 HydrophobicContact CG1-CD1 3.76Å; L286-I359 HydrophobicContact CB-CD1 4.31Å; L286-I359 HydrophobicContact CD2-CD1 3.71Å; E355-I359 PolarHBondContact O-N 3.2Å; R356-I359 WeakPolarHBondContact O-CB 3.39Å; R356-I359 VanDerWaalsContact O-CG2 3.24Å; R356-I359 WeakPolarHBondContact O-CG2 2.88Å; R356-I359 PolarHBondContact O-N 2.8Å; I359-K361 PolarHBondContact O-N 3.48Å; I359-K362 PolarHBondContact O-N 3Å; I359-L779 HydrophobicContact CD1-CD2 3.92Å; I359-L779 HydrophobicContact CG1-CD2 4.13Å; I359-L779 HydrophobicContact CG2-CD2 4.14Å
360	N	83.6	Confident	90.1	Very high	117 Å²	117	59.6 Å²	59.6	63%	0.626	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-63.5	-16.9	-180	-65.5	-13.3	0	0	0	112.6	K358	K358-N360 PolarHBondContact O-N 3.33Å
361	K	85.4	Confident	89.9	Confident	176 Å²	176	56.6 Å²	56.6	77%	0.765	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-87.2	-3.8	177	-56.9	-178	-179.8	-179.9	0	113.2	K358 I359 P363	K358-K361 WeakPolarHBondContact O-CB 3.39Å; K358-K361 PolarHBondContact O-N 2.97Å; K358-K361 VanDerWaalsContact O-N 3.12Å; I359-K361 PolarHBondContact O-N 3.48Å; K361-P363 WeakPolarHBondContact O-CD 3.36Å
362	K	85.9	Confident	89.5	Confident	77 Å²	77	55.5 Å²	55.5	34%	0.335	25%	0.254	S	S	.	.			trans	-122.3	59.6	-176.8	-57.6	-178.5	-173.6	174.6	0	112.5	D282 E355 I359	D282-K362 HydrophobicContact CB-CB 4.08Å; D282-K362 HydrophobicContact CB-CD 4.31Å; D282-K362 PolarHBondContact N-O 3.25Å; D282-K362 VanDerWaalsContact N-O 3.15Å; E355-K362 IonicContact OE1-NZ 2.89Å; E355-K362 PolarHBondContact OE1-NZ 3.47Å; I359-K362 PolarHBondContact O-N 3Å
363	P	89.4	Confident	89.1	Confident	29 Å²	29	57.5 Å²	57.5	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.2	174.9	30.4	-33.7	0	0	0	110.9	Q254 I279 Y281 K361	Q254-P363 HydrophobicContact CB-CG 4.05Å; Q254-P363 HydrophobicContact CG-CG 4.46Å; Q254-P363 VanDerWaalsContact O-CG 3.26Å; Q254-P363 WeakPolarHBondContact O-CG 3.46Å; I279-P363 HydrophobicContact CG2-CB 4.35Å; Y281-P363 HydrophobicContact CD1-CB 4.44Å; Y281-P363 HydrophobicContact CE1-CB 4.34Å; K361-P363 WeakPolarHBondContact O-CD 3.36Å
364	L	88.3	Confident	88.8	Confident	44 Å²	44	55.9 Å²	55.9	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-5	-176.8	-63	177.5	0	0	0	114.1	C280 D282 M366 L428	C280-L364 HydrophobicContact CB-CB 4.47Å; C280-L364 HydrophobicContact CB-CD1 4.31Å; C280-L364 WeakPolarHBondContact O-CB 3.1Å; C280-L364 PolarHBondContact O-N 2.92Å; D282-L364 HydrophobicContact CB-CD2 4.08Å; L364-M366 VanDerWaalsContact C-N 3.34Å; L364-M366 HydrophobicContact CB-CE 3.42Å; L364-M366 VanDerWaalsContact CB-CE 3.42Å; L364-M366 HydrophobicContact CD1-CE 3.58Å; L364-M366 HydrophobicContact CG-CE 4.11Å; L364-L428 HydrophobicContact CD1-CB 3.96Å
365	G	88.6	Confident	88.4	Confident	8 Å²	8	54 Å²	54	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.4	27.8	-174.2	0	0	0	0	0	113.4	G251 I252	G251-G365 PolarHBondContact N-O 3.18Å; I252-G365 PolarHBondContact N-O 3.1Å; I252-G365 WeakPolarHBondContact O-CA 3.33Å
366	M	91.3	Very high	88.1	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.3	178.8	-58.3	-179.9	-78	0	0	109.5	F248 V249 N250 C280 L364 L428 W510	F248-M366 HydrophobicContact CE2-CB 4.02Å; F248-M366 HydrophobicContact CE2-CG 4.48Å; F248-M366 HydrophobicContact CE2-SD 4.17Å; F248-M366 HydrophobicContact CZ-CB 4.23Å; F248-M366 HydrophobicContact CZ-CG 4.18Å; F248-M366 HydrophobicContact CZ-SD 3.59Å; F248-M366 VanDerWaalsContact CZ-SD 3.59Å; V249-M366 CarbonylContact O-C 3.33Å; V249-M366 VanDerWaalsContact O-CA 3.27Å; V249-M366 WeakPolarHBondContact O-CA 3.35Å; N250-M366 HydrophobicContact CB-CG 4.26Å; N250-M366 WeakPolarHBondContact OD1-CG 3.15Å; C280-M366 HydrophobicContact CB-CB 4Å; C280-M366 PolarHBondContact N-O 3.21Å; L364-M366 VanDerWaalsContact C-N 3.34Å; L364-M366 HydrophobicContact CB-CE 3.42Å; L364-M366 VanDerWaalsContact CB-CE 3.42Å; L364-M366 HydrophobicContact CD1-CE 3.58Å; L364-M366 HydrophobicContact CG-CE 4.11Å; M366-L428 HydrophobicContact CE-CB 4.13Å; M366-L428 HydrophobicContact CE-CD2 4.38Å; M366-L428 HydrophobicContact CE-CG 4.21Å; M366-L428 WeakPolarHBondContact CE-O 3.17Å; M366-W510 HydrophobicContact SD-CH2 4.43Å
367	A	91.9	Very high	87.9	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.7	174	0	0	0	0	0	112.7	V249 I252 I261 R278 I279 V369	V249-A367 PolarHBondContact N-O 2.83Å; V249-A367 PolarHBondContact O-N 3.36Å; I252-A367 HydrophobicContact CD1-CB 3.3Å; I261-A367 HydrophobicContact CD1-CB 4.3Å; R278-A367 CarbonylContact O-C 3.52Å; R278-A367 WeakPolarHBondContact O-CA 3.38Å; R278-A367 VanDerWaalsContact O-CB 3.25Å; R278-A367 WeakPolarHBondContact O-CB 3.43Å; I279-A367 HydrophobicContact CG1-CB 4.45Å; A367-V369 HydrophobicContact CB-CG2 4.48Å
368	F	92.4	Very high	87.7	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.3	166.2	-67	-79.2	0	0	0	109.1	T246 L247 F248 R278 C280 A417 V423 W425 Y774	T246-F368 HydrophobicContact CG2-CB 4.23Å; T246-F368 HydrophobicContact CG2-CD1 4.48Å; L247-F368 WeakPolarHBondContact O-CA 3.42Å; F248-F368 HydrophobicContact CB-CD1 4.24Å; F248-F368 HydrophobicContact CB-CE1 4.07Å; F248-F368 AromaticContact CD2-CD1 3.87Å; F248-F368 HydrophobicContact CD2-CD1 3.87Å; F248-F368 AromaticContact CD2-CE1 3.41Å; F248-F368 HydrophobicContact CD2-CE1 3.41Å; F248-F368 VanDerWaalsContact CD2-CE1 3.41Å; F248-F368 HydrophobicContact CD2-CE2 4.23Å; F248-F368 HydrophobicContact CD2-CG 4.46Å; F248-F368 AromaticContact CD2-CZ 3.62Å; F248-F368 HydrophobicContact CD2-CZ 3.62Å; F248-F368 HydrophobicContact CE2-CE1 4.2Å; F248-F368 HydrophobicContact CE2-CE2 4.35Å; F248-F368 AromaticContact CE2-CZ 3.92Å; F248-F368 HydrophobicContact CE2-CZ 3.92Å; F248-F368 HydrophobicContact CG-CE1 4.09Å; R278-F368 PolarHBondContact N-O 3.37Å; R278-F368 PolarHBondContact O-N 3.15Å; C280-F368 WeakPolarHBondContact SG-CE2 3.4Å; F368-A417 HydrophobicContact CD1-CB 3.84Å; F368-A417 HydrophobicContact CE1-CB 4.05Å; F368-V423 HydrophobicContact CZ-CG2 4.42Å; F368-W425 HydrophobicContact CD2-CH2 4.34Å; F368-W425 AromaticContact CE2-CH2 3.82Å; F368-W425 HydrophobicContact CE2-CH2 3.82Å; F368-W425 AromaticContact CE2-CZ3 3.9Å; F368-W425 HydrophobicContact CE2-CZ3 3.9Å; F368-W425 HydrophobicContact CZ-CH2 4.48Å; F368-Y774 HydrophobicContact CB-CD1 4.22Å; F368-Y774 HydrophobicContact CB-CG 4.01Å; F368-Y774 AromaticContact CD1-CD1 3.42Å; F368-Y774 HydrophobicContact CD1-CD1 3.42Å; F368-Y774 VanDerWaalsContact CD1-CD1 3.42Å; F368-Y774 AromaticContact CD1-CE1 3.79Å; F368-Y774 HydrophobicContact CD1-CE1 3.79Å; F368-Y774 HydrophobicContact CD1-CG 4.07Å; F368-Y774 HydrophobicContact CD2-CD1 4.1Å; F368-Y774 HydrophobicContact CD2-CG 4.47Å; F368-Y774 AromaticContact CE1-CD1 3.66Å; F368-Y774 HydrophobicContact CE1-CD1 3.66Å; F368-Y774 AromaticContact CE1-CE1 3.85Å; F368-Y774 HydrophobicContact CE1-CE1 3.85Å; F368-Y774 HydrophobicContact CE2-CD1 4.31Å; F368-Y774 AromaticContact CG-CD1 3.65Å; F368-Y774 HydrophobicContact CG-CD1 3.65Å; F368-Y774 HydrophobicContact CG-CE1 4.46Å; F368-Y774 AromaticContact CG-CG 3.94Å; F368-Y774 HydrophobicContact CG-CG 3.94Å; F368-Y774 HydrophobicContact CZ-CD1 4.11Å
369	V	91.9	Very high	87.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.9	-178	-172.2	0	0	0	0	109	T246 L247 V249 I261 F265 V274 D276 A277 A367 F371	T246-V369 CarbonylContact C-O 3.58Å; T246-V369 VanDerWaalsContact CA-O 3.31Å; T246-V369 WeakPolarHBondContact CA-O 3.34Å; T246-V369 WeakPolarHBondContact CG2-O 3.26Å; L247-V369 PolarHBondContact N-O 3.13Å; L247-V369 PolarHBondContact O-N 2.88Å; V249-V369 HydrophobicContact CG2-CG2 4.19Å; I261-V369 HydrophobicContact CG2-CG2 3.95Å; F265-V369 HydrophobicContact CD2-CG1 4.04Å; F265-V369 HydrophobicContact CE2-CB 4.46Å; F265-V369 HydrophobicContact CE2-CG1 4.15Å; F265-V369 HydrophobicContact CE2-CG2 4.06Å; V274-V369 HydrophobicContact CG1-CG1 3.72Å; D276-V369 CarbonylContact O-C 3.24Å; D276-V369 WeakPolarHBondContact O-CA 3.24Å; A277-V369 HydrophobicContact CB-CG1 4.39Å; A277-V369 HydrophobicContact CB-CG2 4.38Å; A367-V369 HydrophobicContact CB-CG2 4.48Å; V369-F371 HydrophobicContact CB-CE2 4Å; V369-F371 HydrophobicContact CB-CZ 4.13Å; V369-F371 HydrophobicContact CG1-CE1 4.08Å; V369-F371 HydrophobicContact CG1-CE2 3.74Å; V369-F371 HydrophobicContact CG1-CZ 3.5Å; V369-F371 VanDerWaalsContact CG1-CZ 3.5Å; V369-F371 WeakPolarHBondContact O-CE2 3.01Å
370	T	90.2	Very high	87.5	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.5	-177.1	-57.2	0	0	0	0	110.1	T246 L275 D276	T246-T370 WeakPolarHBondContact CG2-OG1 3.35Å; T246-T370 WeakPolarHBondContact OG1-CG2 3.26Å; T246-T370 PolarHBondContact OG1-OG1 3.05Å; L275-T370 HydrophobicContact CB-CG2 4.42Å; L275-T370 HydrophobicContact CD1-CG2 4.34Å; L275-T370 PolarHBondContact N-O 3.47Å; D276-T370 PolarHBondContact N-O 2.91Å; D276-T370 PolarHBondContact O-N 3.38Å
371	F	89.8	Confident	87.6	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	156.1	-177.2	-59.3	-89.1	0	0	0	111	R245 L247 F265 V274 V369 T377 I380	R245-F371 WeakPolarHBondContact O-CD2 3.43Å; R245-F371 PolarHBondContact O-N 3.41Å; L247-F371 HydrophobicContact CB-CE2 4.09Å; L247-F371 HydrophobicContact CD1-CD2 4.37Å; L247-F371 HydrophobicContact CD1-CE2 3.53Å; L247-F371 HydrophobicContact CD1-CZ 4.05Å; L247-F371 HydrophobicContact CG-CD2 4.33Å; L247-F371 HydrophobicContact CG-CE2 3.73Å; F265-F371 HydrophobicContact CB-CE1 4.04Å; F265-F371 HydrophobicContact CD1-CE1 4.18Å; F265-F371 HydrophobicContact CD1-CZ 4.06Å; F265-F371 HydrophobicContact CD2-CE1 4.48Å; F265-F371 HydrophobicContact CD2-CZ 4.23Å; F265-F371 HydrophobicContact CE1-CZ 4.28Å; F265-F371 HydrophobicContact CE2-CZ 4.45Å; F265-F371 AromaticContact CG-CE1 3.99Å; F265-F371 HydrophobicContact CG-CE1 3.99Å; F265-F371 HydrophobicContact CG-CZ 4.04Å; F265-F371 HydrophobicContact CZ-CZ 4.47Å; V274-F371 HydrophobicContact CG2-CD1 3.95Å; V274-F371 HydrophobicContact CG2-CE1 3.76Å; V369-F371 HydrophobicContact CB-CE2 4Å; V369-F371 HydrophobicContact CB-CZ 4.13Å; V369-F371 HydrophobicContact CG1-CE1 4.08Å; V369-F371 HydrophobicContact CG1-CE2 3.74Å; V369-F371 HydrophobicContact CG1-CZ 3.5Å; V369-F371 VanDerWaalsContact CG1-CZ 3.5Å; V369-F371 WeakPolarHBondContact O-CE2 3.01Å; F371-T377 WeakPolarHBondContact CB-OG1 3.45Å; F371-T377 HydrophobicContact CD2-CG2 4.25Å; F371-I380 HydrophobicContact CD1-CD1 3.88Å; F371-I380 HydrophobicContact CE1-CD1 3.3Å; F371-I380 HydrophobicContact CE2-CD1 4.31Å; F371-I380 HydrophobicContact CZ-CD1 3.56Å
372	Q	86.4	Confident	87.5	Confident	76 Å²	76	39.7 Å²	39.7	36%	0.355	20%	0.204	S	C	.	.	S	Bend	trans	-69.6	-41.4	175.9	-167.8	179.9	34.4	0	0	112.2	R245 I273 L275	R245-Q372 PolarHBondContact NE-O 3.31Å; R245-Q372 PolarHBondContact NH2-O 3.08Å; I273-Q372 HydrophobicContact CB-CB 4.17Å; I273-Q372 HydrophobicContact CG2-CB 4.5Å; I273-Q372 PolarHBondContact O-N 3.42Å; L275-Q372 HydrophobicContact CD2-CB 4.32Å; L275-Q372 HydrophobicContact CG-CB 4.3Å
373	N	85.3	Confident	87.4	Confident	74 Å²	74	37.4 Å²	37.4	40%	0.396	20%	0.196	S	C	.	.			trans	-115.2	132.7	-173.6	-63.5	-29.1	0	0	0	111.7	T375 T376 T377	N373-T375 VanDerWaalsContact C-N 3.27Å; N373-T375 PolarHBondContact O-N 3.07Å; N373-T376 WeakPolarHBondContact O-CB 3.35Å; N373-T376 PolarHBondContact O-N 2.9Å; N373-T376 VanDerWaalsContact O-N 3.15Å; N373-T377 PolarHBondContact O-N 3.33Å; N373-T377 PolarHBondContact O-OG1 2.98Å
374	E	84.1	Confident	87.1	Confident	92 Å²	92	36.3 Å²	36.3	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-61.3	-36.3	176.5	-66	-177.4	-174.5	0	0	112.2	K244 R245 T376 T377 A378	K244-E374 HydrophobicContact CB-CB 4.26Å; K244-E374 HydrophobicContact CB-CG 3.78Å; K244-E374 VanDerWaalsContact CD-OE2 3.24Å; K244-E374 WeakPolarHBondContact CD-OE2 3.37Å; R245-E374 HydrophobicContact CG-CG 3.42Å; R245-E374 VanDerWaalsContact CG-CG 3.42Å; E374-T376 VanDerWaalsContact C-N 3.27Å; E374-T376 PolarHBondContact O-N 3.44Å; E374-T377 WeakPolarHBondContact O-CB 3.38Å; E374-T377 PolarHBondContact O-N 3.05Å; E374-A378 PolarHBondContact O-N 2.69Å
375	T	83.6	Confident	86.6	Confident	85 Å²	85	36.5 Å²	36.5	52%	0.521	19%	0.189	S	C	.	.	H	α-helix	trans	-61.1	-37.2	176.8	54.7	0	0	0	0	112	N373 K379	N373-T375 VanDerWaalsContact C-N 3.27Å; N373-T375 PolarHBondContact O-N 3.07Å; T375-K379 WeakPolarHBondContact O-CB 3.03Å; T375-K379 VanDerWaalsContact O-CG 3.24Å; T375-K379 WeakPolarHBondContact O-CG 3.34Å; T375-K379 PolarHBondContact O-N 3.35Å
376	T	84.8	Confident	86.1	Confident	14 Å²	14	38.1 Å²	38.1	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-69.3	-42.7	177.4	-56.6	0	0	0	0	109.9	C272 N373 E374 A378 K379 I380	C272-T376 HydrophobicContact CB-CG2 3.91Å; N373-T376 WeakPolarHBondContact O-CB 3.35Å; N373-T376 PolarHBondContact O-N 2.9Å; N373-T376 VanDerWaalsContact O-N 3.15Å; E374-T376 VanDerWaalsContact C-N 3.27Å; E374-T376 PolarHBondContact O-N 3.44Å; T376-A378 PolarHBondContact O-N 3.44Å; T376-K379 PolarHBondContact O-N 3.5Å; T376-I380 HydrophobicContact CG2-CD1 3.95Å; T376-I380 HydrophobicContact CG2-CG1 4.49Å; T376-I380 VanDerWaalsContact O-CG1 3.27Å; T376-I380 WeakPolarHBondContact O-CG1 3.42Å; T376-I380 PolarHBondContact O-N 2.93Å
377	T	86.1	Confident	84.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-46.2	175.3	-51.8	0	0	0	0	112.4	K244 L247 F371 N373 E374 I380 L381 Y416	K244-T377 WeakPolarHBondContact O-CB 3.39Å; K244-T377 WeakPolarHBondContact O-CG2 3.27Å; K244-T377 PolarHBondContact O-OG1 2.7Å; L247-T377 HydrophobicContact CD1-CG2 3.91Å; L247-T377 HydrophobicContact CD2-CG2 3.3Å; L247-T377 HydrophobicContact CG-CG2 3.45Å; L247-T377 VanDerWaalsContact CG-CG2 3.45Å; F371-T377 WeakPolarHBondContact CB-OG1 3.45Å; F371-T377 HydrophobicContact CD2-CG2 4.25Å; N373-T377 PolarHBondContact O-N 3.33Å; N373-T377 PolarHBondContact O-OG1 2.98Å; E374-T377 WeakPolarHBondContact O-CB 3.38Å; E374-T377 PolarHBondContact O-N 3.05Å; T377-I380 PolarHBondContact O-N 2.91Å; T377-L381 WeakPolarHBondContact O-CB 3.15Å; T377-L381 PolarHBondContact O-N 3.43Å; T377-Y416 HydrophobicContact CG2-CD1 4.31Å; T377-Y416 HydrophobicContact CG2-CE1 3.86Å
378	A	85.1	Confident	83.4	Confident	41 Å²	41	46 Å²	46	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-41.2	176.5	0	0	0	0	0	112.3	E374 T376 L381 K382	E374-A378 PolarHBondContact O-N 2.69Å; T376-A378 PolarHBondContact O-N 3.44Å; A378-L381 PolarHBondContact O-N 2.88Å; A378-K382 VanDerWaalsContact O-CB 3.27Å; A378-K382 WeakPolarHBondContact O-CB 3.41Å; A378-K382 PolarHBondContact O-N 3.38Å
379	K	85.8	Confident	81.6	Confident	143 Å²	143	49.3 Å²	49.3	62%	0.622	27%	0.267	S	S	*	.	H	α-helix	trans	-60.7	-45.9	175.1	-75.6	171.8	-175.9	180	0	111.9	T375 T376 K382 D383	T375-K379 WeakPolarHBondContact O-CB 3.03Å; T375-K379 VanDerWaalsContact O-CG 3.24Å; T375-K379 WeakPolarHBondContact O-CG 3.34Å; T375-K379 PolarHBondContact O-N 3.35Å; T376-K379 PolarHBondContact O-N 3.5Å; K379-K382 PolarHBondContact O-N 3.06Å; K379-D383 PolarHBondContact O-N 3.4Å
380	I	87.4	Confident	79.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-49.3	177.6	-67.1	166.9	0	0	0	110.2	L247 F265 Y269 F371 T376 T377 K382 D383 F384	L247-I380 HydrophobicContact CD1-CB 4.07Å; L247-I380 HydrophobicContact CD1-CG2 3.65Å; F265-I380 HydrophobicContact CD1-CD1 4.01Å; F265-I380 HydrophobicContact CD1-CG2 4.22Å; F265-I380 HydrophobicContact CE1-CD1 4.48Å; F265-I380 HydrophobicContact CE1-CG2 3.69Å; Y269-I380 HydrophobicContact CD1-CG1 3.78Å; Y269-I380 HydrophobicContact CD2-CD1 4.3Å; Y269-I380 HydrophobicContact CD2-CG1 3.93Å; Y269-I380 HydrophobicContact CE1-CB 4.29Å; Y269-I380 HydrophobicContact CE1-CG1 3.67Å; Y269-I380 HydrophobicContact CE2-CG1 3.85Å; Y269-I380 HydrophobicContact CE2-CG2 4.35Å; Y269-I380 HydrophobicContact CG-CD1 4.43Å; Y269-I380 HydrophobicContact CG-CG1 3.91Å; F371-I380 HydrophobicContact CD1-CD1 3.88Å; F371-I380 HydrophobicContact CE1-CD1 3.3Å; F371-I380 HydrophobicContact CE2-CD1 4.31Å; F371-I380 HydrophobicContact CZ-CD1 3.56Å; T376-I380 HydrophobicContact CG2-CD1 3.95Å; T376-I380 HydrophobicContact CG2-CG1 4.49Å; T376-I380 VanDerWaalsContact O-CG1 3.27Å; T376-I380 WeakPolarHBondContact O-CG1 3.42Å; T376-I380 PolarHBondContact O-N 2.93Å; T377-I380 PolarHBondContact O-N 2.91Å; I380-K382 PolarHBondContact O-N 3.42Å; I380-D383 PolarHBondContact O-N 3.39Å; I380-D383 VanDerWaalsContact O-N 3.16Å; I380-F384 HydrophobicContact CG2-CD2 3.81Å; I380-F384 HydrophobicContact CG2-CE2 3.96Å; I380-F384 WeakPolarHBondContact O-CD2 3.37Å; I380-F384 PolarHBondContact O-N 3.1Å
381	L	85.9	Confident	78.2	Confident	20 Å²	20	60 Å²	60	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-39.5	179.2	-177.2	68.3	0	0	0	111.8	L247 T377 A378 N385 V414 Y416	L247-L381 HydrophobicContact CD2-CB 4.45Å; L247-L381 HydrophobicContact CD2-CD1 4.49Å; T377-L381 WeakPolarHBondContact O-CB 3.15Å; T377-L381 PolarHBondContact O-N 3.43Å; A378-L381 PolarHBondContact O-N 2.88Å; L381-N385 VanDerWaalsContact CD1-ND2 3.3Å; L381-N385 WeakPolarHBondContact CD1-ND2 3.32Å; L381-N385 WeakPolarHBondContact O-CB 3.29Å; L381-N385 PolarHBondContact O-N 3.11Å; L381-N385 VanDerWaalsContact O-N 3.13Å; L381-N385 PolarHBondContact O-ND2 3.29Å; L381-V414 HydrophobicContact CD1-CB 4.49Å; L381-V414 HydrophobicContact CD1-CG1 4.09Å; L381-V414 WeakPolarHBondContact CD1-O 3.41Å; L381-Y416 HydrophobicContact CD2-CD2 3.48Å; L381-Y416 VanDerWaalsContact CD2-CD2 3.48Å; L381-Y416 HydrophobicContact CD2-CE1 4.23Å; L381-Y416 HydrophobicContact CD2-CE2 3.1Å; L381-Y416 HydrophobicContact CD2-CG 4.19Å
382	K	82.6	Confident	76.5	Confident	104 Å²	104	67 Å²	67	45%	0.452	38%	0.38	S	S	.	.	H	α-helix	trans	-66.9	-42.1	177.7	-175.4	174.2	-179.1	171.9	0	112.1	A378 K379 I380 N385 A386 Y746	A378-K382 VanDerWaalsContact O-CB 3.27Å; A378-K382 WeakPolarHBondContact O-CB 3.41Å; A378-K382 PolarHBondContact O-N 3.38Å; K379-K382 PolarHBondContact O-N 3.06Å; I380-K382 PolarHBondContact O-N 3.42Å; K382-N385 PolarHBondContact O-N 2.95Å; K382-A386 VanDerWaalsContact O-CB 3.32Å; K382-A386 WeakPolarHBondContact O-CB 3.49Å; K382-A386 PolarHBondContact O-N 2.91Å; K382-Y746 PolarHBondContact NZ-OH 2.69Å
383	D	84.8	Confident	74.4	Confident	29 Å²	29	66.1 Å²	66.1	16%	0.155	38%	0.383	C	S	.	.	H	α-helix	trans	-64.1	-46.5	178.2	-171.5	54.9	0	0	0	111.9	Y269 K379 I380 N385 A386 P398 K399	Y269-D383 HydrophobicContact CE1-CB 4.22Å; Y269-D383 PolarHBondContact OH-OD2 3.18Å; K379-D383 PolarHBondContact O-N 3.4Å; I380-D383 PolarHBondContact O-N 3.39Å; I380-D383 VanDerWaalsContact O-N 3.16Å; D383-N385 VanDerWaalsContact C-N 3.28Å; D383-N385 PolarHBondContact O-N 3.5Å; D383-A386 PolarHBondContact O-N 3.01Å; D383-P398 VanDerWaalsContact OD2-CA 3.28Å; D383-P398 WeakPolarHBondContact OD2-CA 3.45Å; D383-K399 PolarHBondContact OD2-N 3.38Å
384	F	83	Confident	73.2	Confident	5 Å²	5	66 Å²	66	2%	0.022	39%	0.387	C	S	.	.	H	α-helix	trans	-68	-23.4	177.3	-84.9	-89.2	0	0	0	114.1	F265 Y269 I380 R396 P398 W412 V414	F265-F384 HydrophobicContact CE1-CE2 4.02Å; F265-F384 HydrophobicContact CE1-CZ 4.48Å; Y269-F384 HydrophobicContact CE2-CE2 4.45Å; Y269-F384 WeakPolarHBondContact OH-CE2 3.34Å; I380-F384 HydrophobicContact CG2-CD2 3.81Å; I380-F384 HydrophobicContact CG2-CE2 3.96Å; I380-F384 WeakPolarHBondContact O-CD2 3.37Å; I380-F384 PolarHBondContact O-N 3.1Å; F384-R396 WeakPolarHBondContact O-CD 3.32Å; F384-P398 HydrophobicContact CD1-CB 3.94Å; F384-P398 HydrophobicContact CD1-CG 4.03Å; F384-P398 HydrophobicContact CD2-CB 4.26Å; F384-P398 HydrophobicContact CE1-CB 3.9Å; F384-P398 HydrophobicContact CE1-CG 3.8Å; F384-P398 HydrophobicContact CE2-CB 4.23Å; F384-P398 HydrophobicContact CG-CB 4.13Å; F384-P398 HydrophobicContact CZ-CB 4.05Å; F384-P398 HydrophobicContact CZ-CG 4.3Å; F384-W412 HydrophobicContact CD1-CB 4.41Å; F384-W412 HydrophobicContact CE1-CB 4.01Å; F384-W412 HydrophobicContact CE1-CE3 4.09Å; F384-W412 HydrophobicContact CZ-CE3 4.03Å; F384-V414 HydrophobicContact CB-CB 4.04Å; F384-V414 HydrophobicContact CB-CG2 3.96Å; F384-V414 HydrophobicContact CD1-CG2 3.66Å; F384-V414 HydrophobicContact CD2-CG2 4.08Å; F384-V414 HydrophobicContact CE1-CG2 4.13Å; F384-V414 HydrophobicContact CE2-CG2 4.5Å; F384-V414 HydrophobicContact CG-CB 4.23Å; F384-V414 HydrophobicContact CG-CG2 3.63Å
385	N	78.9	Confident	72.1	Confident	48 Å²	48	67.2 Å²	67.2	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-95.6	-12.1	176.2	-73.1	-51.8	0	0	0	113.7	L381 K382 D383 C387	L381-N385 VanDerWaalsContact CD1-ND2 3.3Å; L381-N385 WeakPolarHBondContact CD1-ND2 3.32Å; L381-N385 WeakPolarHBondContact O-CB 3.29Å; L381-N385 PolarHBondContact O-N 3.11Å; L381-N385 VanDerWaalsContact O-N 3.13Å; L381-N385 PolarHBondContact O-ND2 3.29Å; K382-N385 PolarHBondContact O-N 2.95Å; D383-N385 VanDerWaalsContact C-N 3.28Å; D383-N385 PolarHBondContact O-N 3.5Å; N385-C387 PolarHBondContact O-N 3Å
386	A	76	Confident	71.3	Confident	42 Å²	42	68.8 Å²	68.8	35%	0.347	39%	0.389	S	S	.	.			trans	-67.6	117.2	178.1	0	0	0	0	0	110	K382 D383	K382-A386 VanDerWaalsContact O-CB 3.32Å; K382-A386 WeakPolarHBondContact O-CB 3.49Å; K382-A386 PolarHBondContact O-N 2.91Å; D383-A386 PolarHBondContact O-N 3.01Å
387	C	67.6	Low	70.7	Confident	69 Å²	69	73 Å²	73	47%	0.466	41%	0.408	S	S	.	.			trans	-91.6	114.2	175	-155	0	0	0	0	108.8	N385	N385-C387 PolarHBondContact O-N 3Å
388	K	59.8	Low	70.5	Confident	102 Å²	102	74 Å²	74	44%	0.443	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.2	174.6	-69	175.7	-174.3	154.6	0	107.7	H395 E397	K388-H395 PolarHBondContact N-O 2.97Å; K388-H395 PolarHBondContact O-N 3.12Å; K388-H395 VanDerWaalsContact O-O 3.12Å; K388-E397 HydrophobicContact CD-CB 4.45Å; K388-E397 PolarHBondContact NZ-O 2.83Å
389	C	54.7	Low	70.4	Confident	75 Å²	75	76.8 Å²	76.8	51%	0.507	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.3	173.9	-58.7	0	0	0	0	109.5	S393 C394	C389-S393 WeakPolarHBondContact CA-O 3.28Å; C389-C394 HydrophobicContact CB-CB 4.17Å; C389-C394 WeakPolarHBondContact CB-SG 3.42Å; C389-C394 WeakPolarHBondContact SG-CB 3.44Å; C389-C394 CovalentContact SG-SG 2.06Å; C389-C394 PolarHBondContact SG-SG 2.79Å
390	K	46.9	Very low	70.2	Confident	164 Å²	164	74.5 Å²	74.5	71%	0.713	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	103.7	168.1	-74.4	179.8	179.8	168	0	107.2	S393	K390-S393 PolarHBondContact N-O 2.83Å
391	G	63.1	Low	70.2	Confident	75 Å²	75	75.6 Å²	75.6	77%	0.773	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	-138.8	-173.2	0	0	0	0	0	112.6	S393	G391-S393 PolarHBondContact O-N 3.37Å
392	C	55.4	Low	70.1	Confident	148 Å²	148	83 Å²	83	100%	1	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	2.3	177.5	-63.5	0	0	0	0	114.4
393	S	42.2	Very low	70.2	Confident	59 Å²	59	79.6 Å²	79.6	41%	0.413	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.6	-178.4	-172.9	0	0	0	0	110.3	C389 K390 G391 H395	C389-S393 WeakPolarHBondContact CA-O 3.28Å; K390-S393 PolarHBondContact N-O 2.83Å; G391-S393 PolarHBondContact O-N 3.37Å; S393-H395 PolarHBondContact OG-CE1 3.44Å; S393-H395 PolarHBondContact OG-ND1 3.42Å
394	C	58.7	Low	70.1	Confident	70 Å²	70	78.5 Å²	78.5	47%	0.473	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.1	178.2	-66.1	0	0	0	0	109.1	C389	C389-C394 HydrophobicContact CB-CB 4.17Å; C389-C394 WeakPolarHBondContact CB-SG 3.42Å; C389-C394 WeakPolarHBondContact SG-CB 3.44Å; C389-C394 CovalentContact SG-SG 2.06Å; C389-C394 PolarHBondContact SG-SG 2.79Å
395	H	61.7	Low	70.1	Confident	118 Å²	118	85.1 Å²	85.1	55%	0.546	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.8	179.8	-80.7	70.4	0	0	0	110.6	K388 S393	K388-H395 PolarHBondContact N-O 2.97Å; K388-H395 PolarHBondContact O-N 3.12Å; K388-H395 VanDerWaalsContact O-O 3.12Å; S393-H395 PolarHBondContact OG-CE1 3.44Å; S393-H395 PolarHBondContact OG-ND1 3.42Å
396	R	67	Low	70.3	Confident	119 Å²	119	89.9 Å²	89.9	45%	0.449	49%	0.492	S	S	.	.			trans	-88.1	115.1	169.7	-73.4	177.1	-170.2	-176.9	5.9	108.4	F384 P398	F384-R396 WeakPolarHBondContact O-CD 3.32Å; R396-P398 WeakPolarHBondContact O-CD 3.14Å
397	E	72.9	Confident	70.6	Confident	103 Å²	103	87.9 Å²	87.9	48%	0.481	48%	0.475	S	S	.	.			trans	-120.1	84.7	174.9	-70.3	-179.8	173.9	0	0	108.6	K388	K388-E397 HydrophobicContact CD-CB 4.45Å; K388-E397 PolarHBondContact NZ-O 2.83Å
398	P	80.9	Confident	71.4	Confident	20 Å²	20	89.6 Å²	89.6	13%	0.13	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-70.1	164.6	174	30.6	-34	0	0	0	110.8	D383 F384 R396 S400	D383-P398 VanDerWaalsContact OD2-CA 3.28Å; D383-P398 WeakPolarHBondContact OD2-CA 3.45Å; F384-P398 HydrophobicContact CD1-CB 3.94Å; F384-P398 HydrophobicContact CD1-CG 4.03Å; F384-P398 HydrophobicContact CD2-CB 4.26Å; F384-P398 HydrophobicContact CE1-CB 3.9Å; F384-P398 HydrophobicContact CE1-CG 3.8Å; F384-P398 HydrophobicContact CE2-CB 4.23Å; F384-P398 HydrophobicContact CG-CB 4.13Å; F384-P398 HydrophobicContact CZ-CB 4.05Å; F384-P398 HydrophobicContact CZ-CG 4.3Å; R396-P398 WeakPolarHBondContact O-CD 3.14Å; P398-S400 PolarHBondContact O-N 2.68Å
399	K	82.6	Confident	72.5	Confident	100 Å²	100	85.3 Å²	85.3	44%	0.435	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-56.4	130.5	174.1	-71.5	-166.1	178	-169.7	0	110.6	A268 Y269 D383	A268-K399 HydrophobicContact CB-CB 4.29Å; A268-K399 WeakPolarHBondContact O-CD 3.41Å; Y269-K399 HydrophobicContact CD1-CD 4.22Å; Y269-K399 HydrophobicContact CE1-CD 4.16Å; D383-K399 PolarHBondContact OD2-N 3.38Å
400	S	82	Confident	73.7	Confident	94 Å²	94	85.4 Å²	85.4	66%	0.657	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-101.6	156.3	-178	61	0	0	0	0	112	P398 S404	P398-S400 PolarHBondContact O-N 2.68Å; S400-S404 VanDerWaalsContact CA-OG 3.32Å; S400-S404 WeakPolarHBondContact CA-OG 3.05Å
401	S	87.7	Confident	75.5	Confident	23 Å²	23	82.9 Å²	82.9	16%	0.161	45%	0.454	C	S	.	.			trans	-133.9	176.9	172.7	74.5	0	0	0	0	109.4	H264 F403 S404	H264-S401 PolarHBondContact ND1-OG 3.39Å; S401-F403 PolarHBondContact O-N 3.09Å; S401-F403 VanDerWaalsContact O-N 3.1Å; S401-F403 PolarHBondContact OG-N 3.37Å; S401-S404 PolarHBondContact N-OG 3.36Å; S401-S404 VanDerWaalsContact O-CB 3.24Å; S401-S404 WeakPolarHBondContact O-CB 3.05Å; S401-S404 PolarHBondContact O-N 2.81Å; S401-S404 PolarHBondContact O-OG 2.74Å
402	Q	84.5	Confident	76.8	Confident	175 Å²	175	79.6 Å²	79.6	82%	0.818	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.9	173.9	-59.5	-179.1	10.5	0	0	113.3
403	F	82.8	Confident	78.2	Confident	34 Å²	34	75.6 Å²	75.6	15%	0.149	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.5	178.8	-62.3	-79.9	0	0	0	113.9	E260 Q263 H264 L267 S401 N405 R406 L407	E260-F403 HydrophobicContact CB-CD1 4.21Å; E260-F403 HydrophobicContact CG-CD1 4.24Å; E260-F403 HydrophobicContact CG-CE1 4.32Å; Q263-F403 HydrophobicContact CB-CD2 4.05Å; Q263-F403 HydrophobicContact CB-CE2 3.71Å; Q263-F403 HydrophobicContact CB-CZ 4.3Å; H264-F403 HydrophobicContact CB-CB 4.22Å; L267-F403 HydrophobicContact CD1-CD2 4.17Å; L267-F403 HydrophobicContact CD1-CE2 3.87Å; S401-F403 PolarHBondContact O-N 3.09Å; S401-F403 VanDerWaalsContact O-N 3.1Å; S401-F403 PolarHBondContact OG-N 3.37Å; F403-N405 VanDerWaalsContact C-N 3.34Å; F403-N405 PolarHBondContact O-N 2.7Å; F403-R406 PolarHBondContact O-N 2.82Å; F403-L407 HydrophobicContact CB-CD1 3.89Å; F403-L407 HydrophobicContact CB-CG 4.41Å; F403-L407 WeakPolarHBondContact O-CB 3.2Å; F403-L407 WeakPolarHBondContact O-CG 3.27Å; F403-L407 PolarHBondContact O-N 3.35Å
404	S	83.6	Confident	80.4	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-36.6	-170.8	-75.7	0	0	0	0	114.3	H264 S400 S401 H408 T409	H264-S404 PolarHBondContact CE1-OG 3.28Å; H264-S404 PolarHBondContact ND1-OG 3.03Å; S400-S404 VanDerWaalsContact CA-OG 3.32Å; S400-S404 WeakPolarHBondContact CA-OG 3.05Å; S401-S404 PolarHBondContact N-OG 3.36Å; S401-S404 VanDerWaalsContact O-CB 3.24Å; S401-S404 WeakPolarHBondContact O-CB 3.05Å; S401-S404 PolarHBondContact O-N 2.81Å; S401-S404 PolarHBondContact O-OG 2.74Å; S404-H408 PolarHBondContact O-N 2.94Å; S404-H408 VanDerWaalsContact O-N 3.11Å; S404-T409 WeakPolarHBondContact CA-OG1 3.34Å; S404-T409 WeakPolarHBondContact CB-OG1 3.44Å; S404-T409 PolarHBondContact O-N 3.28Å; S404-T409 VanDerWaalsContact O-N 3.16Å; S404-T409 PolarHBondContact O-OG1 3.08Å; S404-T409 PolarHBondContact OG-OG1 2.92Å
405	N	82	Confident	81.8	Confident	144 Å²	144	73.2 Å²	73.2	77%	0.77	37%	0.371	S	S	*	.	H	α-helix	trans	-71.9	-38.6	178.4	-73.7	-14.4	0	0	0	112.1	F403	F403-N405 VanDerWaalsContact C-N 3.34Å; F403-N405 PolarHBondContact O-N 2.7Å
406	R	83.2	Confident	82.9	Confident	148 Å²	148	71.5 Å²	71.5	56%	0.558	36%	0.36	S	S	*	.	H	α-helix	trans	-71.6	-35.6	178.2	-71.7	-173.6	64.9	-145	-13.3	112.3	E260 F403	E260-R406 IonicContact OE1-CZ 3.66Å; E260-R406 IonicContact OE1-NH1 3.65Å; E260-R406 PolarHBondContact OE1-NH1 2.8Å; E260-R406 IonicContact OE1-NH2 2.8Å; E260-R406 PolarHBondContact OE1-NH2 3.45Å; E260-R406 IonicContact OE2-NH2 2.76Å; F403-R406 PolarHBondContact O-N 2.82Å
407	L	83.7	Confident	83.9	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-85.5	-8.4	-179	-71.7	176.9	0	0	0	113.8	A256 E260 I261 H264 F403 T409 W412	A256-L407 HydrophobicContact CB-CD2 3.42Å; A256-L407 VanDerWaalsContact CB-CD2 3.42Å; E260-L407 HydrophobicContact CB-CD2 4.35Å; I261-L407 HydrophobicContact CG1-CD2 4.31Å; H264-L407 HydrophobicContact CB-CD1 3.78Å; F403-L407 HydrophobicContact CB-CD1 3.89Å; F403-L407 HydrophobicContact CB-CG 4.41Å; F403-L407 WeakPolarHBondContact O-CB 3.2Å; F403-L407 WeakPolarHBondContact O-CG 3.27Å; F403-L407 PolarHBondContact O-N 3.35Å; L407-T409 VanDerWaalsContact C-N 3.28Å; L407-T409 HydrophobicContact CB-CG2 3.87Å; L407-T409 PolarHBondContact O-N 2.95Å; L407-W412 HydrophobicContact CB-CH2 4.33Å; L407-W412 HydrophobicContact CB-CZ2 3.7Å; L407-W412 HydrophobicContact CD1-CH2 4.01Å; L407-W412 HydrophobicContact CD1-CZ2 4.14Å; L407-W412 HydrophobicContact CD2-CZ2 4.38Å; L407-W412 HydrophobicContact CG-CZ2 4.29Å; L407-W412 PolarHBondContact O-NE1 2.76Å
408	H	83.8	Confident	84.4	Confident	105 Å²	105	62.6 Å²	62.6	49%	0.486	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	46.6	-173.5	-62	-67.6	0	0	0	113	S404 S410 N411	S404-H408 PolarHBondContact O-N 2.94Å; S404-H408 VanDerWaalsContact O-N 3.11Å; H408-S410 PolarHBondContact O-N 2.76Å; H408-N411 PolarHBondContact O-N 3.45Å
409	T	83.1	Confident	84.5	Confident	12 Å²	12	62.5 Å²	62.5	7%	0.074	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-56.1	-23.8	-174.2	50.9	0	0	0	0	114.7	H264 S404 L407 N411 W412	H264-T409 WeakPolarHBondContact NE2-CG2 3.17Å; S404-T409 WeakPolarHBondContact CA-OG1 3.34Å; S404-T409 WeakPolarHBondContact CB-OG1 3.44Å; S404-T409 PolarHBondContact O-N 3.28Å; S404-T409 VanDerWaalsContact O-N 3.16Å; S404-T409 PolarHBondContact O-OG1 3.08Å; S404-T409 PolarHBondContact OG-OG1 2.92Å; L407-T409 VanDerWaalsContact C-N 3.28Å; L407-T409 HydrophobicContact CB-CG2 3.87Å; L407-T409 PolarHBondContact O-N 2.95Å; T409-N411 PolarHBondContact O-N 3.46Å; T409-W412 HydrophobicContact CG2-CD2 4.17Å; T409-W412 HydrophobicContact CG2-CE3 4.16Å; T409-W412 HydrophobicContact CG2-CH2 3.99Å; T409-W412 HydrophobicContact CG2-CZ2 3.98Å; T409-W412 HydrophobicContact CG2-CZ3 4.06Å; T409-W412 WeakPolarHBondContact O-CB 3.36Å; T409-W412 PolarHBondContact O-N 3.44Å
410	S	80.4	Confident	84.4	Confident	76 Å²	76	58.9 Å²	58.9	53%	0.531	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.9	-26.3	174.2	58.4	0	0	0	0	113.8	H408 W412	H408-S410 PolarHBondContact O-N 2.76Å; S410-W412 VanDerWaalsContact C-N 3.34Å
411	N	84.6	Confident	84.3	Confident	111 Å²	111	59.4 Å²	59.4	59%	0.594	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-91.9	-0.8	-177.3	-64.1	-2.7	0	0	0	112.2	H408 T409	H408-N411 PolarHBondContact O-N 3.45Å; T409-N411 PolarHBondContact O-N 3.46Å
412	W	89	Confident	84.2	Confident	6 Å²	6	58.9 Å²	58.9	2%	0.023	30%	0.299	C	S	.	.			trans	-74.8	138.3	-175.7	-68	7.2	0	0	0	111.5	V249 N250 G251 I252 I261 H264 F265 F384 L407 T409 S410 V414	V249-W412 HydrophobicContact CG1-CB 4.22Å; V249-W412 HydrophobicContact CG1-CD2 3.72Å; V249-W412 HydrophobicContact CG1-CE3 3.54Å; V249-W412 HydrophobicContact CG1-CG 4.07Å; V249-W412 HydrophobicContact CG1-CZ3 4.07Å; N250-W412 CarbonylContact O-C 3.59Å; N250-W412 WeakPolarHBondContact O-CA 3.4Å; G251-W412 PolarHBondContact O-NE1 3.26Å; I252-W412 HydrophobicContact CG1-CZ2 4.11Å; I252-W412 HydrophobicContact CG2-CZ2 4.3Å; I261-W412 HydrophobicContact CG2-CH2 4.46Å; H264-W412 AromaticContact CD2-CH2 3.93Å; H264-W412 AromaticContact CD2-CZ3 3.67Å; F265-W412 AromaticContact CE2-CZ3 3.97Å; F265-W412 HydrophobicContact CE2-CZ3 3.97Å; F265-W412 HydrophobicContact CZ-CE3 4.39Å; F265-W412 AromaticContact CZ-CZ3 3.78Å; F265-W412 HydrophobicContact CZ-CZ3 3.78Å; F384-W412 HydrophobicContact CD1-CB 4.41Å; F384-W412 HydrophobicContact CE1-CB 4.01Å; F384-W412 HydrophobicContact CE1-CE3 4.09Å; F384-W412 HydrophobicContact CZ-CE3 4.03Å; L407-W412 HydrophobicContact CB-CH2 4.33Å; L407-W412 HydrophobicContact CB-CZ2 3.7Å; L407-W412 HydrophobicContact CD1-CH2 4.01Å; L407-W412 HydrophobicContact CD1-CZ2 4.14Å; L407-W412 HydrophobicContact CD2-CZ2 4.38Å; L407-W412 HydrophobicContact CG-CZ2 4.29Å; L407-W412 PolarHBondContact O-NE1 2.76Å; T409-W412 HydrophobicContact CG2-CD2 4.17Å; T409-W412 HydrophobicContact CG2-CE3 4.16Å; T409-W412 HydrophobicContact CG2-CH2 3.99Å; T409-W412 HydrophobicContact CG2-CZ2 3.98Å; T409-W412 HydrophobicContact CG2-CZ3 4.06Å; T409-W412 WeakPolarHBondContact O-CB 3.36Å; T409-W412 PolarHBondContact O-N 3.44Å; S410-W412 VanDerWaalsContact C-N 3.34Å; W412-V414 HydrophobicContact CB-CG2 4.45Å
413	T	86.6	Confident	84.3	Confident	64 Å²	64	51 Å²	51	39%	0.393	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.8	168.4	51.5	0	0	0	0	107.8	N250	N250-T413 WeakPolarHBondContact CB-OG1 3.26Å; N250-T413 PolarHBondContact N-O 2.9Å; N250-T413 PolarHBondContact O-N 2.86Å; N250-T413 PolarHBondContact O-OG1 2.86Å
414	V	88.1	Confident	84.6	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.3	-173.7	-176.6	0	0	0	0	108.9	L247 V249 L381 F384 W412	L247-V414 HydrophobicContact CB-CG1 4.08Å; L247-V414 HydrophobicContact CD1-CG1 3.74Å; L247-V414 HydrophobicContact CD2-CG1 4.21Å; L247-V414 HydrophobicContact CG-CG1 4.21Å; V249-V414 HydrophobicContact CG1-CG2 4.33Å; V249-V414 HydrophobicContact CG2-CG1 4.45Å; V249-V414 HydrophobicContact CG2-CG2 4.3Å; L381-V414 HydrophobicContact CD1-CB 4.49Å; L381-V414 HydrophobicContact CD1-CG1 4.09Å; L381-V414 WeakPolarHBondContact CD1-O 3.41Å; F384-V414 HydrophobicContact CB-CB 4.04Å; F384-V414 HydrophobicContact CB-CG2 3.96Å; F384-V414 HydrophobicContact CD1-CG2 3.66Å; F384-V414 HydrophobicContact CD2-CG2 4.08Å; F384-V414 HydrophobicContact CE1-CG2 4.13Å; F384-V414 HydrophobicContact CE2-CG2 4.5Å; F384-V414 HydrophobicContact CG-CB 4.23Å; F384-V414 HydrophobicContact CG-CG2 3.63Å; W412-V414 HydrophobicContact CB-CG2 4.45Å
415	T	87.1	Confident	84.7	Confident	76 Å²	76	53.3 Å²	53.3	47%	0.466	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.8	173.5	60.6	0	0	0	0	110.2	F248 A417	F248-T415 PolarHBondContact N-O 3.38Å; F248-T415 PolarHBondContact O-N 2.85Å; T415-A417 PolarHBondContact O-N 3.45Å
416	Y	86.1	Confident	84.9	Confident	83 Å²	83	51.1 Å²	51.1	33%	0.325	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	139.9	167.3	-74.6	-66.5	0	0	0	110.3	L247 T377 L381	L247-Y416 HydrophobicContact CD2-CD1 4.04Å; L247-Y416 HydrophobicContact CD2-CE1 4.36Å; T377-Y416 HydrophobicContact CG2-CD1 4.31Å; T377-Y416 HydrophobicContact CG2-CE1 3.86Å; L381-Y416 HydrophobicContact CD2-CD2 3.48Å; L381-Y416 VanDerWaalsContact CD2-CD2 3.48Å; L381-Y416 HydrophobicContact CD2-CE1 4.23Å; L381-Y416 HydrophobicContact CD2-CE2 3.1Å; L381-Y416 HydrophobicContact CD2-CG 4.19Å
417	A	86.4	Confident	85.2	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	136	176.1	0	0	0	0	0	110.1	T246 F248 F368 T415 Y774	T246-A417 HydrophobicContact CG2-CB 3.7Å; T246-A417 WeakPolarHBondContact O-CB 3.17Å; T246-A417 PolarHBondContact O-N 3.48Å; F248-A417 HydrophobicContact CB-CB 4.33Å; F368-A417 HydrophobicContact CD1-CB 3.84Å; F368-A417 HydrophobicContact CE1-CB 4.05Å; T415-A417 PolarHBondContact O-N 3.45Å; A417-Y774 HydrophobicContact CB-CE1 3.84Å
418	P	84.4	Confident	85.4	Confident	32 Å²	32	46.1 Å²	46.1	21%	0.208	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-64.6	160.1	167.8	29.8	-36.6	0	0	0	110.7	N422 V423 T511 Y774	P418-N422 HydrophobicContact CB-CB 4.36Å; P418-V423 HydrophobicContact CB-CG2 4.31Å; P418-V423 HydrophobicContact CG-CG2 3.51Å; P418-T511 HydrophobicContact CB-CG2 4.28Å; P418-T511 HydrophobicContact CG-CG2 4.05Å; P418-Y774 WeakPolarHBondContact O-CE1 3.45Å; P418-Y774 PolarHBondContact O-OH 2.91Å
419	D	81.9	Confident	85.6	Confident	18 Å²	18	43 Å²	43	10%	0.096	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-53.9	137.6	168.9	-179.6	-64.5	0	0	0	109.5	Q421 N422 K676	D419-Q421 PolarHBondContact O-N 2.95Å; D419-Q421 VanDerWaalsContact O-N 3.08Å; D419-Q421 VanDerWaalsContact OD1-CB 3.27Å; D419-Q421 WeakPolarHBondContact OD1-CB 3.5Å; D419-Q421 WeakPolarHBondContact OD1-CG 3.34Å; D419-Q421 PolarHBondContact OD1-N 3.23Å; D419-N422 HydrophobicContact CB-CB 4.39Å; D419-N422 WeakPolarHBondContact O-CA 3.33Å; D419-N422 VanDerWaalsContact O-CB 3.27Å; D419-N422 WeakPolarHBondContact O-CB 3.42Å; D419-N422 PolarHBondContact O-N 3.4Å; D419-K676 WeakPolarHBondContact OD2-CD 3.27Å; D419-K676 IonicContact OD2-NZ 2.78Å; D419-K676 PolarHBondContact OD2-NZ 3.17Å
420	P	81.6	Confident	85.8	Confident	25 Å²	25	44.5 Å²	44.5	16%	0.162	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-54.4	-28.4	-178.6	-26.7	33.8	0	0	0	114.8	N422 V423 Q772 Y774	P420-N422 VanDerWaalsContact C-N 3.31Å; P420-V423 PolarHBondContact O-N 3.23Å; P420-Q772 HydrophobicContact CG-CB 4.33Å; P420-Y774 HydrophobicContact CG-CD1 4.14Å; P420-Y774 HydrophobicContact CG-CD2 4.35Å; P420-Y774 HydrophobicContact CG-CE1 3.82Å; P420-Y774 HydrophobicContact CG-CE2 4.04Å; P420-Y774 HydrophobicContact CG-CG 4.4Å
421	Q	79.9	Confident	85.9	Confident	105 Å²	105	42.1 Å²	42.1	49%	0.491	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-75	-20.8	176.1	-58.6	-177.8	1.4	0	0	112.8	D419 R512	D419-Q421 PolarHBondContact O-N 2.95Å; D419-Q421 VanDerWaalsContact O-N 3.08Å; D419-Q421 VanDerWaalsContact OD1-CB 3.27Å; D419-Q421 WeakPolarHBondContact OD1-CB 3.5Å; D419-Q421 WeakPolarHBondContact OD1-CG 3.34Å; D419-Q421 PolarHBondContact OD1-N 3.23Å; Q421-R512 VanDerWaalsContact O-CD 3.31Å; Q421-R512 WeakPolarHBondContact O-CD 3.29Å; Q421-R512 PolarHBondContact O-NE 2.89Å
422	N	84.7	Confident	85.9	Confident	11 Å²	11	39.6 Å²	39.6	6%	0.059	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-83.8	-11.4	177.3	-171.1	22.6	0	0	0	112.3	P418 D419 P420 T511 R512 S513	P418-N422 HydrophobicContact CB-CB 4.36Å; D419-N422 HydrophobicContact CB-CB 4.39Å; D419-N422 WeakPolarHBondContact O-CA 3.33Å; D419-N422 VanDerWaalsContact O-CB 3.27Å; D419-N422 WeakPolarHBondContact O-CB 3.42Å; D419-N422 PolarHBondContact O-N 3.4Å; P420-N422 VanDerWaalsContact C-N 3.31Å; N422-T511 CarbonylContact O-C 3.55Å; N422-T511 WeakPolarHBondContact O-CA 3.48Å; N422-R512 PolarHBondContact O-N 2.92Å; N422-R512 WeakPolarHBondContact OD1-CB 3.4Å; N422-R512 PolarHBondContact OD1-N 2.82Å; N422-S513 VanDerWaalsContact CG-OG 3.23Å; N422-S513 PolarHBondContact ND2-OG 3.19Å; N422-S513 WeakPolarHBondContact OD1-CB 3.48Å; N422-S513 PolarHBondContact OD1-N 3.46Å; N422-S513 PolarHBondContact OD1-OG 3.39Å
423	V	87.7	Confident	85.8	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.055	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-86.4	127.3	-178.5	-178	0	0	0	0	111.4	F368 P418 P420 W425 L428	F368-V423 HydrophobicContact CZ-CG2 4.42Å; P418-V423 HydrophobicContact CB-CG2 4.31Å; P418-V423 HydrophobicContact CG-CG2 3.51Å; P420-V423 PolarHBondContact O-N 3.23Å; V423-W425 HydrophobicContact CB-CZ2 4.33Å; V423-W425 HydrophobicContact CG1-CD2 4Å; V423-W425 HydrophobicContact CG1-CE3 4.33Å; V423-W425 HydrophobicContact CG1-CG 4.37Å; V423-W425 HydrophobicContact CG1-CZ2 4.25Å; V423-W425 PolarHBondContact O-N 3.31Å; V423-L428 HydrophobicContact CG1-CD1 3.49Å; V423-L428 VanDerWaalsContact CG1-CD1 3.49Å; V423-L428 HydrophobicContact CG1-CD2 4.47Å
424	Y	87.8	Confident	85.8	Confident	45 Å²	45	51.6 Å²	51.6	18%	0.176	28%	0.278	C	S	.	.			trans	-89.2	88.7	168.1	-75.1	-61	0	0	0	110.9	E426 H427 L428 H509 W510 R512 E515	Y424-E426 PolarHBondContact O-N 3.49Å; Y424-E426 VanDerWaalsContact O-N 3.12Å; Y424-H427 AromaticContact CD2-ND1 3.97Å; Y424-H427 AromaticContact CG-ND1 3.91Å; Y424-H427 PolarHBondContact O-N 2.9Å; Y424-L428 WeakPolarHBondContact O-CD1 3.41Å; Y424-L428 PolarHBondContact O-N 3.3Å; Y424-H509 WeakPolarHBondContact CD2-O 3.45Å; Y424-W510 PolarHBondContact N-O 3.33Å; Y424-R512 HydrophobicContact CD1-CG 4.22Å; Y424-R512 HydrophobicContact CD2-CG 3.97Å; Y424-R512 HydrophobicContact CE1-CG 3.69Å; Y424-R512 VanDerWaalsContact CE2-CA 3.46Å; Y424-R512 HydrophobicContact CE2-CB 4.03Å; Y424-R512 HydrophobicContact CE2-CG 3.45Å; Y424-R512 VanDerWaalsContact CE2-CG 3.45Å; Y424-R512 HydrophobicContact CG-CG 4.35Å; Y424-E515 HydrophobicContact CE2-CB 4.4Å; Y424-E515 WeakPolarHBondContact CE2-OE2 3.44Å; Y424-E515 PolarHBondContact OH-OE2 3.14Å
425	W	87.4	Confident	85.9	Confident	45 Å²	45	54.7 Å²	54.7	17%	0.17	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.4	179.9	-60.4	96.5	0	0	0	113.9	V283 M287 F368 V423 H427 L428 C776	V283-W425 HydrophobicContact CG2-CB 4.18Å; M287-W425 HydrophobicContact CE-CB 4.29Å; M287-W425 HydrophobicContact SD-CB 3.66Å; F368-W425 HydrophobicContact CD2-CH2 4.34Å; F368-W425 AromaticContact CE2-CH2 3.82Å; F368-W425 HydrophobicContact CE2-CH2 3.82Å; F368-W425 AromaticContact CE2-CZ3 3.9Å; F368-W425 HydrophobicContact CE2-CZ3 3.9Å; F368-W425 HydrophobicContact CZ-CH2 4.48Å; V423-W425 HydrophobicContact CB-CZ2 4.33Å; V423-W425 HydrophobicContact CG1-CD2 4Å; V423-W425 HydrophobicContact CG1-CE3 4.33Å; V423-W425 HydrophobicContact CG1-CG 4.37Å; V423-W425 HydrophobicContact CG1-CZ2 4.25Å; V423-W425 PolarHBondContact O-N 3.31Å; W425-H427 VanDerWaalsContact C-N 3.33Å; W425-H427 PolarHBondContact O-N 3.23Å; W425-L428 HydrophobicContact CE3-CD2 4.28Å; W425-L428 HydrophobicContact CZ3-CD2 4.47Å; W425-C776 HydrophobicContact CD2-CB 4.14Å; W425-C776 HydrophobicContact CE3-CB 4.1Å; W425-C776 HydrophobicContact CG-CB 4.35Å
426	E	86.1	Confident	86	Confident	98 Å²	98	59 Å²	59	46%	0.458	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.5	177.9	-59.4	177.6	-173.3	0	0	113.5	S284 M287 Y424	S284-E426 PolarHBondContact OG-O 3.42Å; S284-E426 VanDerWaalsContact OG-O 3.11Å; M287-E426 HydrophobicContact CB-CG 4.24Å; M287-E426 HydrophobicContact CE-CG 3.63Å; M287-E426 WeakPolarHBondContact CE-OE1 3.15Å; M287-E426 HydrophobicContact SD-CG 3.55Å; M287-E426 VanDerWaalsContact SD-CG 3.55Å; Y424-E426 PolarHBondContact O-N 3.49Å; Y424-E426 VanDerWaalsContact O-N 3.12Å
427	H	89.5	Confident	86.3	Confident	34 Å²	34	57.2 Å²	57.2	16%	0.157	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-11.9	-176.6	-61.9	167.1	0	0	0	113	Y424 W425 S429 V430 A508 H509 W510	Y424-H427 AromaticContact CD2-ND1 3.97Å; Y424-H427 AromaticContact CG-ND1 3.91Å; Y424-H427 PolarHBondContact O-N 2.9Å; W425-H427 VanDerWaalsContact C-N 3.33Å; W425-H427 PolarHBondContact O-N 3.23Å; H427-S429 PolarHBondContact O-N 3.05Å; H427-S429 VanDerWaalsContact O-N 3.12Å; H427-V430 PolarHBondContact O-N 2.99Å; H427-A508 HydrophobicContact CB-CB 4.41Å; H427-H509 WeakPolarHBondContact CB-O 3.38Å; H427-H509 PolarHBondContact ND1-O 3.4Å; H427-H509 VanDerWaalsContact ND1-O 3.07Å; H427-W510 VanDerWaalsContact O-CD1 3.28Å
428	L	88.1	Confident	86.5	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.042	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.9	-179	-102.3	71.9	0	0	0	112.8	C280 L364 M366 V423 Y424 W425 V430 W510	C280-L428 HydrophobicContact CB-CD2 4.24Å; L364-L428 HydrophobicContact CD1-CB 3.96Å; M366-L428 HydrophobicContact CE-CB 4.13Å; M366-L428 HydrophobicContact CE-CD2 4.38Å; M366-L428 HydrophobicContact CE-CG 4.21Å; M366-L428 WeakPolarHBondContact CE-O 3.17Å; V423-L428 HydrophobicContact CG1-CD1 3.49Å; V423-L428 VanDerWaalsContact CG1-CD1 3.49Å; V423-L428 HydrophobicContact CG1-CD2 4.47Å; Y424-L428 WeakPolarHBondContact O-CD1 3.41Å; Y424-L428 PolarHBondContact O-N 3.3Å; W425-L428 HydrophobicContact CE3-CD2 4.28Å; W425-L428 HydrophobicContact CZ3-CD2 4.47Å; L428-V430 PolarHBondContact O-N 3.45Å; L428-W510 HydrophobicContact CD1-CB 4.36Å
429	S	87.8	Confident	86.8	Confident	41 Å²	41	61.8 Å²	61.8	29%	0.287	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.4	178.4	62.3	0	0	0	0	113.7	D282 S284 H427 G431	D282-S429 WeakPolarHBondContact OD1-CB 3.19Å; S284-S429 PolarHBondContact OG-OG 2.79Å; H427-S429 PolarHBondContact O-N 3.05Å; H427-S429 VanDerWaalsContact O-N 3.12Å; S429-G431 PolarHBondContact O-N 3.36Å
430	V	85.8	Confident	87.2	Confident	42 Å²	42	66.7 Å²	66.7	26%	0.255	34%	0.336	S	S	.	.			trans	-91.7	95.5	-177.8	-174	0	0	0	0	109	H427 L428 W435 W510	H427-V430 PolarHBondContact O-N 2.99Å; L428-V430 PolarHBondContact O-N 3.45Å; V430-W435 HydrophobicContact CG1-CB 4.25Å; V430-W510 PolarHBondContact O-NE1 3.37Å
431	G	83.3	Confident	87.7	Confident	26 Å²	26	70.4 Å²	70.4	27%	0.268	35%	0.353	S	S	.	.			trans	-136.3	171.6	-177.1	0	0	0	0	0	115	S429	S429-G431 PolarHBondContact O-N 3.36Å
432	G	84	Confident	88.3	Confident	58 Å²	58	66.9 Å²	66.9	60%	0.598	34%	0.337	S	S	*	.	H	α-helix	trans	60.6	-136.4	172.1	0	0	0	0	0	114.1	K434 W435 W436	G432-K434 VanDerWaalsContact C-N 3.28Å; G432-K434 PolarHBondContact O-N 2.97Å; G432-W435 PolarHBondContact O-N 2.91Å; G432-W436 PolarHBondContact O-N 2.97Å; G432-W436 VanDerWaalsContact O-N 3.12Å
433	I	86.6	Confident	88.4	Confident	151 Å²	151	68.2 Å²	68.2	77%	0.774	35%	0.345	S	S	*	.	H	α-helix	trans	-61.6	-35.5	-175.8	-63.4	166.1	0	0	0	111.8	W435 W436 A437	I433-W435 VanDerWaalsContact C-N 3.35Å; I433-W435 PolarHBondContact O-N 2.96Å; I433-W436 PolarHBondContact O-N 2.88Å; I433-A437 WeakPolarHBondContact O-CB 3.38Å; I433-A437 PolarHBondContact O-N 3.44Å
434	K	87.9	Confident	88.4	Confident	172 Å²	172	70 Å²	70	75%	0.748	36%	0.357	S	S	*	.	H	α-helix	trans	-63.5	-42.6	179.3	-66.3	-178.6	-177.6	176	0	111.5	G432 R438	G432-K434 VanDerWaalsContact C-N 3.28Å; G432-K434 PolarHBondContact O-N 2.97Å; K434-R438 VanDerWaalsContact O-CB 3.3Å; K434-R438 WeakPolarHBondContact O-CB 3.37Å; K434-R438 PolarHBondContact O-N 3.37Å
435	W	90.4	Very high	88.4	Confident	67 Å²	67	71.9 Å²	71.9	25%	0.254	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-44.9	175.1	-179.3	86.3	0	0	0	111.2	V430 G432 I433 R438 C439 E507 H509	V430-W435 HydrophobicContact CG1-CB 4.25Å; G432-W435 PolarHBondContact O-N 2.91Å; I433-W435 VanDerWaalsContact C-N 3.35Å; I433-W435 PolarHBondContact O-N 2.96Å; W435-R438 PolarHBondContact O-N 3.46Å; W435-C439 VanDerWaalsContact O-CB 3.31Å; W435-C439 WeakPolarHBondContact O-CB 3.47Å; W435-C439 PolarHBondContact O-N 2.83Å; W435-E507 VanDerWaalsContact CD1-O 3.29Å; W435-E507 PolarHBondContact NE1-O 3.28Å; W435-H509 AromaticContact CZ2-CE1 3.78Å
436	W	89.6	Confident	88.3	Confident	168 Å²	168	70 Å²	70	64%	0.636	37%	0.366	S	S	*	.	H	α-helix	trans	-65.6	-41.9	-179.2	-150.2	91.7	0	0	0	112.5	G432 I433 C439 F440	G432-W436 PolarHBondContact O-N 2.97Å; G432-W436 VanDerWaalsContact O-N 3.12Å; I433-W436 PolarHBondContact O-N 2.88Å; W436-C439 PolarHBondContact O-N 3.35Å; W436-F440 HydrophobicContact CE3-CB 4.31Å; W436-F440 HydrophobicContact CZ3-CB 4.25Å; W436-F440 HydrophobicContact CZ3-CD2 4.3Å; W436-F440 HydrophobicContact CZ3-CG 4.43Å; W436-F440 WeakPolarHBondContact O-CB 3.33Å; W436-F440 PolarHBondContact O-N 3.14Å
437	A	91.3	Very high	88.1	Confident	44 Å²	44	71 Å²	71	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-44.1	174.3	0	0	0	0	0	111.6	I433 F440 I441	I433-A437 WeakPolarHBondContact O-CB 3.38Å; I433-A437 PolarHBondContact O-N 3.44Å; A437-F440 PolarHBondContact O-N 2.74Å; A437-I441 WeakPolarHBondContact O-CB 3.44Å; A437-I441 VanDerWaalsContact O-CG1 3.25Å; A437-I441 WeakPolarHBondContact O-CG1 3.35Å; A437-I441 PolarHBondContact O-N 2.96Å
438	R	91	Very high	87.5	Confident	107 Å²	107	73.9 Å²	73.9	40%	0.404	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-47.5	175.4	-178.6	174.3	175.9	101.9	0.8	111.5	K434 W435 F440 I441 I442 F506	K434-R438 VanDerWaalsContact O-CB 3.3Å; K434-R438 WeakPolarHBondContact O-CB 3.37Å; K434-R438 PolarHBondContact O-N 3.37Å; W435-R438 PolarHBondContact O-N 3.46Å; R438-F440 PolarHBondContact O-N 2.74Å; R438-I441 PolarHBondContact O-N 3.48Å; R438-I442 HydrophobicContact CG-CD1 3.64Å; R438-I442 HydrophobicContact CG-CG1 4.45Å; R438-I442 WeakPolarHBondContact O-CB 3.18Å; R438-I442 WeakPolarHBondContact O-CD1 3.31Å; R438-I442 WeakPolarHBondContact O-CG1 3.38Å; R438-I442 PolarHBondContact O-N 3.19Å; R438-F506 PolarHBondContact NE-O 3.47Å; R438-F506 PolarHBondContact NH2-O 3.38Å
439	C	90.2	Very high	87	Confident	24 Å²	24	76.7 Å²	76.7	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-58.2	-47.2	175.8	-175.9	0	0	0	0	111.2	W435 W436 I442 N443	W435-C439 VanDerWaalsContact O-CB 3.31Å; W435-C439 WeakPolarHBondContact O-CB 3.47Å; W435-C439 PolarHBondContact O-N 2.83Å; W436-C439 PolarHBondContact O-N 3.35Å; C439-I442 PolarHBondContact O-N 2.92Å; C439-N443 WeakPolarHBondContact O-CB 3.28Å; C439-N443 PolarHBondContact O-N 3.21Å; C439-N443 PolarHBondContact O-ND2 2.94Å; C439-N443 PolarHBondContact SG-ND2 2.85Å; C439-N443 VanDerWaalsContact SG-ND2 3.38Å
440	F	90.9	Very high	86.3	Confident	120 Å²	120	74.9 Å²	74.9	53%	0.526	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-50.8	177.8	-179.5	-99.9	0	0	0	112	W436 A437 R438 I442 N443 C444	W436-F440 HydrophobicContact CE3-CB 4.31Å; W436-F440 HydrophobicContact CZ3-CB 4.25Å; W436-F440 HydrophobicContact CZ3-CD2 4.3Å; W436-F440 HydrophobicContact CZ3-CG 4.43Å; W436-F440 WeakPolarHBondContact O-CB 3.33Å; W436-F440 PolarHBondContact O-N 3.14Å; A437-F440 PolarHBondContact O-N 2.74Å; R438-F440 PolarHBondContact O-N 2.74Å; F440-I442 PolarHBondContact O-N 3.28Å; F440-N443 PolarHBondContact O-N 3Å; F440-C444 WeakPolarHBondContact CZ-SG 3.27Å; F440-C444 WeakPolarHBondContact O-CB 3.4Å; F440-C444 PolarHBondContact O-N 3.2Å; F440-C444 PolarHBondContact O-SG 3.32Å; F440-C444 VanDerWaalsContact O-SG 3.35Å
441	I	92.5	Very high	85.5	Confident	104 Å²	104	74.4 Å²	74.4	53%	0.533	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-47.7	179.7	-68.2	165.4	0	0	0	110.9	A437 R438 N443 C444 V445	A437-I441 WeakPolarHBondContact O-CB 3.44Å; A437-I441 VanDerWaalsContact O-CG1 3.25Å; A437-I441 WeakPolarHBondContact O-CG1 3.35Å; A437-I441 PolarHBondContact O-N 2.96Å; R438-I441 PolarHBondContact O-N 3.48Å; I441-N443 PolarHBondContact O-N 3.45Å; I441-C444 PolarHBondContact O-N 3.44Å; I441-V445 HydrophobicContact CG2-CG2 4.38Å; I441-V445 WeakPolarHBondContact O-CB 3.44Å; I441-V445 VanDerWaalsContact O-CG2 3.32Å; I441-V445 WeakPolarHBondContact O-CG2 3.37Å; I441-V445 PolarHBondContact O-N 3.32Å
442	I	91.2	Very high	84.7	Confident	30 Å²	30	79.3 Å²	79.3	15%	0.154	40%	0.396	C	S	.	.	H	α-helix	trans	-61.8	-45.7	-179.9	-68.9	167.4	0	0	0	110.6	R438 C439 F440 V445 L446 F506 E507	R438-I442 HydrophobicContact CG-CD1 3.64Å; R438-I442 HydrophobicContact CG-CG1 4.45Å; R438-I442 WeakPolarHBondContact O-CB 3.18Å; R438-I442 WeakPolarHBondContact O-CD1 3.31Å; R438-I442 WeakPolarHBondContact O-CG1 3.38Å; R438-I442 PolarHBondContact O-N 3.19Å; C439-I442 PolarHBondContact O-N 2.92Å; F440-I442 PolarHBondContact O-N 3.28Å; I442-V445 PolarHBondContact O-N 3.27Å; I442-L446 WeakPolarHBondContact O-CB 3.36Å; I442-L446 PolarHBondContact O-N 3.13Å; I442-F506 HydrophobicContact CD1-CB 3.76Å; I442-F506 WeakPolarHBondContact CD1-O 3.28Å; I442-E507 HydrophobicContact CD1-CG 4.14Å; I442-E507 HydrophobicContact CG2-CG 4.46Å
443	N	88.4	Confident	83.7	Confident	40 Å²	40	77.7 Å²	77.7	21%	0.214	37%	0.373	C	S	.	.	H	α-helix	trans	-69.8	-33.8	180	-73.7	-75	0	0	0	112.2	C439 F440 I441 F447 E507 K522	C439-N443 WeakPolarHBondContact O-CB 3.28Å; C439-N443 PolarHBondContact O-N 3.21Å; C439-N443 PolarHBondContact O-ND2 2.94Å; C439-N443 PolarHBondContact SG-ND2 2.85Å; C439-N443 VanDerWaalsContact SG-ND2 3.38Å; F440-N443 PolarHBondContact O-N 3Å; I441-N443 PolarHBondContact O-N 3.45Å; N443-F447 VanDerWaalsContact O-CB 3.27Å; N443-F447 WeakPolarHBondContact O-CB 3.47Å; N443-F447 PolarHBondContact O-N 3.34Å; N443-E507 PolarHBondContact ND2-OE1 3.27Å; N443-K522 PolarHBondContact ND2-NZ 3.09Å; N443-K522 WeakPolarHBondContact OD1-CE 3.45Å; N443-K522 PolarHBondContact OD1-NZ 2.82Å
444	C	87.3	Confident	82.5	Confident	46 Å²	46	72 Å²	72	31%	0.311	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-47.2	171.9	-76.3	0	0	0	0	112	F440 I441 L446 F447 L448	F440-C444 WeakPolarHBondContact CZ-SG 3.27Å; F440-C444 WeakPolarHBondContact O-CB 3.4Å; F440-C444 PolarHBondContact O-N 3.2Å; F440-C444 PolarHBondContact O-SG 3.32Å; F440-C444 VanDerWaalsContact O-SG 3.35Å; I441-C444 PolarHBondContact O-N 3.44Å; C444-L446 VanDerWaalsContact C-N 3.34Å; C444-F447 PolarHBondContact O-N 3.21Å; C444-L448 WeakPolarHBondContact O-CG 3.48Å; C444-L448 PolarHBondContact O-N 2.91Å
445	V	88.1	Confident	81.1	Confident	84 Å²	84	64.3 Å²	64.3	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-43.3	176.2	171.1	0	0	0	0	110.5	I441 I442 L448 L449	I441-V445 HydrophobicContact CG2-CG2 4.38Å; I441-V445 WeakPolarHBondContact O-CB 3.44Å; I441-V445 VanDerWaalsContact O-CG2 3.32Å; I441-V445 WeakPolarHBondContact O-CG2 3.37Å; I441-V445 PolarHBondContact O-N 3.32Å; I442-V445 PolarHBondContact O-N 3.27Å; V445-L448 PolarHBondContact O-N 3.46Å; V445-L449 WeakPolarHBondContact O-CB 3.34Å; V445-L449 PolarHBondContact O-N 3.39Å
446	L	85.1	Confident	79.4	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-47.9	175.6	-177.9	69.5	0	0	0	110.8	I442 C444 L448 L449 L450 I499 V500 S503 F526	I442-L446 WeakPolarHBondContact O-CB 3.36Å; I442-L446 PolarHBondContact O-N 3.13Å; C444-L446 VanDerWaalsContact C-N 3.34Å; L446-L448 PolarHBondContact O-N 3.11Å; L446-L449 PolarHBondContact O-N 3.23Å; L446-L450 HydrophobicContact CD1-CD1 3.83Å; L446-L450 HydrophobicContact CD1-CD2 4.23Å; L446-L450 HydrophobicContact CD1-CG 3.83Å; L446-L450 HydrophobicContact CD2-CD1 4.33Å; L446-L450 HydrophobicContact CG-CD1 3.71Å; L446-L450 HydrophobicContact CG-CG 4.05Å; L446-L450 VanDerWaalsContact O-CB 3.25Å; L446-L450 WeakPolarHBondContact O-CB 3.37Å; L446-L450 WeakPolarHBondContact O-CG 3.18Å; L446-L450 PolarHBondContact O-N 2.93Å; L446-I499 HydrophobicContact CD1-CG2 3.84Å; L446-V500 HydrophobicContact CD1-CG2 4.22Å; L446-S503 WeakPolarHBondContact CD2-OG 3.26Å; L446-F526 HydrophobicContact CD2-CD2 4.23Å; L446-F526 HydrophobicContact CD2-CE2 3.56Å; L446-F526 HydrophobicContact CD2-CZ 3.91Å; L446-F526 HydrophobicContact CG-CE2 4.5Å; L446-F526 HydrophobicContact CG-CZ 4.48Å
447	F	81.1	Confident	77.6	Confident	119 Å²	119	56 Å²	56	52%	0.522	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-49.4	178.4	178.1	-97	0	0	0	111.5	N443 C444 F451	N443-F447 VanDerWaalsContact O-CB 3.27Å; N443-F447 WeakPolarHBondContact O-CB 3.47Å; N443-F447 PolarHBondContact O-N 3.34Å; C444-F447 PolarHBondContact O-N 3.21Å; F447-F451 HydrophobicContact CZ-CD2 4.36Å; F447-F451 WeakPolarHBondContact O-CB 3.5Å; F447-F451 PolarHBondContact O-N 3.19Å
448	L	78.1	Confident	75.7	Confident	95 Å²	95	56.4 Å²	56.4	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-51.1	177.1	-71.2	171.1	0	0	0	111.3	C444 V445 L446 F451 F452	C444-L448 WeakPolarHBondContact O-CG 3.48Å; C444-L448 PolarHBondContact O-N 2.91Å; V445-L448 PolarHBondContact O-N 3.46Å; L446-L448 PolarHBondContact O-N 3.11Å; L448-F451 PolarHBondContact O-N 3.46Å; L448-F452 HydrophobicContact CD2-CE2 4.34Å; L448-F452 WeakPolarHBondContact O-CD2 2.98Å; L448-F452 PolarHBondContact O-N 3.17Å
449	L	77.4	Confident	74	Confident	67 Å²	67	54.4 Å²	54.4	35%	0.351	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-48	-177.6	-179.7	142.9	0	0	0	111.5	V445 L446 F451 F452 L453 I499	V445-L449 WeakPolarHBondContact O-CB 3.34Å; V445-L449 PolarHBondContact O-N 3.39Å; L446-L449 PolarHBondContact O-N 3.23Å; L449-F451 VanDerWaalsContact C-N 3.33Å; L449-F451 PolarHBondContact O-N 3.46Å; L449-F452 PolarHBondContact O-N 2.74Å; L449-L453 HydrophobicContact CD2-CD1 4.45Å; L449-L453 WeakPolarHBondContact O-CB 3.49Å; L449-L453 PolarHBondContact O-N 3.35Å; L449-I499 HydrophobicContact CD2-CD1 3.87Å; L449-I499 HydrophobicContact CD2-CG2 3.85Å
450	L	72.6	Confident	72.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-45.6	178.1	-68.7	-179.8	0	0	0	110.5	L446 F452 L453 T454 L496 V500 F526 M530	L446-L450 HydrophobicContact CD1-CD1 3.83Å; L446-L450 HydrophobicContact CD1-CD2 4.23Å; L446-L450 HydrophobicContact CD1-CG 3.83Å; L446-L450 HydrophobicContact CD2-CD1 4.33Å; L446-L450 HydrophobicContact CG-CD1 3.71Å; L446-L450 HydrophobicContact CG-CG 4.05Å; L446-L450 VanDerWaalsContact O-CB 3.25Å; L446-L450 WeakPolarHBondContact O-CB 3.37Å; L446-L450 WeakPolarHBondContact O-CG 3.18Å; L446-L450 PolarHBondContact O-N 2.93Å; L450-F452 PolarHBondContact O-N 3.34Å; L450-L453 PolarHBondContact O-N 3.29Å; L450-T454 WeakPolarHBondContact O-CB 3.49Å; L450-T454 WeakPolarHBondContact O-CG2 3.37Å; L450-T454 PolarHBondContact O-N 2.89Å; L450-T454 PolarHBondContact O-OG1 3.43Å; L450-L496 HydrophobicContact CD2-CD2 3.3Å; L450-V500 HydrophobicContact CD1-CG2 3.92Å; L450-V500 HydrophobicContact CD2-CG2 4.03Å; L450-F526 HydrophobicContact CD1-CB 4.3Å; L450-F526 HydrophobicContact CD1-CD1 3.42Å; L450-F526 VanDerWaalsContact CD1-CD1 3.42Å; L450-F526 HydrophobicContact CD1-CD2 4.24Å; L450-F526 HydrophobicContact CD1-CE1 3.68Å; L450-F526 HydrophobicContact CD1-CE2 4.48Å; L450-F526 HydrophobicContact CD1-CG 3.74Å; L450-F526 HydrophobicContact CD1-CZ 4.21Å; L450-M530 HydrophobicContact CB-CE 4.02Å
451	F	68.6	Low	70.5	Confident	32 Å²	32	54 Å²	54	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-39.5	-178.5	-167.7	-82.1	0	0	0	113.2	F447 L448 L449 T454 T455 L542	F447-F451 HydrophobicContact CZ-CD2 4.36Å; F447-F451 WeakPolarHBondContact O-CB 3.5Å; F447-F451 PolarHBondContact O-N 3.19Å; L448-F451 PolarHBondContact O-N 3.46Å; L449-F451 VanDerWaalsContact C-N 3.33Å; L449-F451 PolarHBondContact O-N 3.46Å; F451-T454 PolarHBondContact O-OG1 3.4Å; F451-T455 PolarHBondContact O-OG1 2.96Å; F451-L542 HydrophobicContact CD1-CD1 4.09Å; F451-L542 HydrophobicContact CE1-CB 3.56Å; F451-L542 HydrophobicContact CE1-CD1 3.46Å; F451-L542 VanDerWaalsContact CE1-CD1 3.46Å; F451-L542 HydrophobicContact CE1-CG 3.49Å; F451-L542 VanDerWaalsContact CE1-CG 3.49Å; F451-L542 HydrophobicContact CZ-CB 4.05Å; F451-L542 HydrophobicContact CZ-CD1 4.26Å; F451-L542 HydrophobicContact CZ-CG 3.89Å
452	F	66.9	Low	68.6	Low	128 Å²	128	51.5 Å²	51.5	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-73.8	-38.3	173.9	-73.9	-64.9	0	0	0	112.7	L448 L449 L450 T455	L448-F452 HydrophobicContact CD2-CE2 4.34Å; L448-F452 WeakPolarHBondContact O-CD2 2.98Å; L448-F452 PolarHBondContact O-N 3.17Å; L449-F452 PolarHBondContact O-N 2.74Å; L450-F452 PolarHBondContact O-N 3.34Å; F452-T455 PolarHBondContact O-N 3.26Å
453	L	63	Low	66.8	Low	24 Å²	24	52.9 Å²	52.9	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-77.5	-23.2	-175.4	-158.8	126.7	0	0	0	113	L449 L450 T455 P456 F492 L496	L449-L453 HydrophobicContact CD2-CD1 4.45Å; L449-L453 WeakPolarHBondContact O-CB 3.49Å; L449-L453 PolarHBondContact O-N 3.35Å; L450-L453 PolarHBondContact O-N 3.29Å; L453-T455 PolarHBondContact O-N 3.18Å; L453-P456 WeakPolarHBondContact O-CD 3.34Å; L453-F492 HydrophobicContact CD1-CD1 3.55Å; L453-F492 HydrophobicContact CD1-CE1 3.66Å; L453-F492 HydrophobicContact CD1-CG 4.4Å; L453-F492 HydrophobicContact CD2-CB 3.79Å; L453-F492 HydrophobicContact CD2-CD1 3.74Å; L453-F492 HydrophobicContact CD2-CG 4.02Å; L453-F492 HydrophobicContact CG-CB 4.27Å; L453-F492 HydrophobicContact CG-CD1 3.64Å; L453-F492 HydrophobicContact CG-CE1 4.14Å; L453-F492 HydrophobicContact CG-CG 4.01Å; L453-L496 HydrophobicContact CB-CD2 4.36Å; L453-L496 HydrophobicContact CD2-CD1 4.19Å; L453-L496 HydrophobicContact CD2-CD2 3.32Å; L453-L496 HydrophobicContact CD2-CG 3.46Å; L453-L496 VanDerWaalsContact CD2-CG 3.46Å; L453-L496 HydrophobicContact CG-CD2 4.45Å
454	T	60.5	Low	65.1	Low	32 Å²	32	55.9 Å²	55.9	20%	0.196	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.3	175.7	53.9	0	0	0	0	113.8	L450 F451 P456 L496 M530	L450-T454 WeakPolarHBondContact O-CB 3.49Å; L450-T454 WeakPolarHBondContact O-CG2 3.37Å; L450-T454 PolarHBondContact O-N 2.89Å; L450-T454 PolarHBondContact O-OG1 3.43Å; F451-T454 PolarHBondContact O-OG1 3.4Å; T454-P456 VanDerWaalsContact O-CD 3.3Å; T454-P456 WeakPolarHBondContact O-CD 3.21Å; T454-L496 HydrophobicContact CG2-CD1 4.02Å; T454-L496 HydrophobicContact CG2-CD2 4.1Å; T454-M530 HydrophobicContact CG2-CB 4.41Å; T454-M530 HydrophobicContact CG2-CE 3.44Å; T454-M530 VanDerWaalsContact CG2-CE 3.44Å; T454-M530 HydrophobicContact CG2-CG 3.73Å; T454-M530 HydrophobicContact CG2-SD 3.12Å; T454-M530 WeakPolarHBondContact CG2-SD 3.04Å
455	T	60.1	Low	63.4	Low	11 Å²	11	62.1 Å²	62.1	7%	0.067	32%	0.324	C	S	.	.			trans	-119.1	60.3	175.7	-30.7	0	0	0	0	113.9	F451 F452 L453 A457 I458 I459 S540	F451-T455 PolarHBondContact O-OG1 2.96Å; F452-T455 PolarHBondContact O-N 3.26Å; L453-T455 PolarHBondContact O-N 3.18Å; T455-A457 PolarHBondContact O-N 3.4Å; T455-A457 VanDerWaalsContact O-N 3.12Å; T455-I458 HydrophobicContact CG2-CB 3.68Å; T455-I458 HydrophobicContact CG2-CD1 3.35Å; T455-I458 HydrophobicContact CG2-CG1 3.28Å; T455-I458 PolarHBondContact O-N 3.08Å; T455-I459 PolarHBondContact O-N 3.47Å; T455-S540 WeakPolarHBondContact CG2-O 3.16Å
456	P	54.2	Low	61.8	Low	14 Å²	14	65.4 Å²	65.4	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-53	-34.4	173	-24.5	34.6	0	0	0	112.1	L453 T454 I458 I459 I460 L488 L489	L453-P456 WeakPolarHBondContact O-CD 3.34Å; T454-P456 VanDerWaalsContact O-CD 3.3Å; T454-P456 WeakPolarHBondContact O-CD 3.21Å; P456-I458 PolarHBondContact O-N 2.71Å; P456-I459 PolarHBondContact O-N 3.27Å; P456-I460 WeakPolarHBondContact O-CD1 3.37Å; P456-I460 VanDerWaalsContact O-CG1 3.25Å; P456-I460 WeakPolarHBondContact O-CG1 3.41Å; P456-I460 PolarHBondContact O-N 2.94Å; P456-L488 HydrophobicContact CB-CD2 4.15Å; P456-L489 HydrophobicContact CB-CB 4.23Å; P456-L489 HydrophobicContact CB-CD1 4.19Å; P456-L489 HydrophobicContact CB-CG 4.19Å; P456-L489 HydrophobicContact CG-CB 4.5Å; P456-L489 HydrophobicContact CG-CD1 4.44Å; P456-L489 HydrophobicContact CG-CG 4.14Å
457	A	50.6	Low	60.2	Low	47 Å²	47	69.2 Å²	69.2	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-34.1	175.9	0	0	0	0	0	113.7	T455 T461	T455-A457 PolarHBondContact O-N 3.4Å; T455-A457 VanDerWaalsContact O-N 3.12Å; A457-T461 WeakPolarHBondContact O-CB 3.5Å; A457-T461 WeakPolarHBondContact O-CG2 3.33Å; A457-T461 PolarHBondContact O-N 3.36Å; A457-T461 PolarHBondContact O-OG1 3.04Å
458	I	53.1	Low	58.9	Low	51 Å²	51	68 Å²	68	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-44.2	171.5	-77.5	174.3	0	0	0	110	T455 P456 I460 T461 T462	T455-I458 HydrophobicContact CG2-CB 3.68Å; T455-I458 HydrophobicContact CG2-CD1 3.35Å; T455-I458 HydrophobicContact CG2-CG1 3.28Å; T455-I458 PolarHBondContact O-N 3.08Å; P456-I458 PolarHBondContact O-N 2.71Å; I458-I460 VanDerWaalsContact C-N 3.26Å; I458-I460 PolarHBondContact O-N 3.14Å; I458-T461 VanDerWaalsContact CA-OG1 3.32Å; I458-T461 WeakPolarHBondContact CA-OG1 3.29Å; I458-T461 PolarHBondContact O-N 3.24Å; I458-T461 PolarHBondContact O-OG1 3.33Å; I458-T462 HydrophobicContact CG2-CG2 3.72Å; I458-T462 VanDerWaalsContact O-CB 3.26Å; I458-T462 WeakPolarHBondContact O-CB 3.42Å; I458-T462 VanDerWaalsContact O-CG2 3.29Å; I458-T462 WeakPolarHBondContact O-CG2 3.2Å; I458-T462 PolarHBondContact O-N 3.19Å; I458-T462 PolarHBondContact O-OG1 3.37Å
459	I	54.3	Low	57.7	Low	66 Å²	66	64.6 Å²	64.6	34%	0.338	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-44.3	-179.4	-62.6	174.5	0	0	0	108.9	T455 P456 T462 M463	T455-I459 PolarHBondContact O-N 3.47Å; P456-I459 PolarHBondContact O-N 3.27Å; I459-T462 WeakPolarHBondContact CA-OG1 3.37Å; I459-T462 PolarHBondContact O-OG1 3.41Å; I459-M463 WeakPolarHBondContact O-CB 3.5Å; I459-M463 PolarHBondContact O-N 2.99Å
460	I	56.4	Low	56.6	Low	50 Å²	50	66.9 Å²	66.9	26%	0.256	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-49.7	176.7	-66	156.9	0	0	0	111	P456 I458 M463 D464 P485	P456-I460 WeakPolarHBondContact O-CD1 3.37Å; P456-I460 VanDerWaalsContact O-CG1 3.25Å; P456-I460 WeakPolarHBondContact O-CG1 3.41Å; P456-I460 PolarHBondContact O-N 2.94Å; I458-I460 VanDerWaalsContact C-N 3.26Å; I458-I460 PolarHBondContact O-N 3.14Å; I460-M463 PolarHBondContact O-N 2.88Å; I460-D464 WeakPolarHBondContact O-CB 3.34Å; I460-D464 PolarHBondContact O-N 2.95Å; I460-P485 HydrophobicContact CD1-CB 3.69Å; I460-P485 HydrophobicContact CG1-CB 4.28Å
461	T	50.3	Low	55.7	Low	86 Å²	86	71.1 Å²	71.1	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-71.4	-29.6	-178.2	53.5	0	0	0	0	113.8	A457 I458 K465	A457-T461 WeakPolarHBondContact O-CB 3.5Å; A457-T461 WeakPolarHBondContact O-CG2 3.33Å; A457-T461 PolarHBondContact O-N 3.36Å; A457-T461 PolarHBondContact O-OG1 3.04Å; I458-T461 VanDerWaalsContact CA-OG1 3.32Å; I458-T461 WeakPolarHBondContact CA-OG1 3.29Å; I458-T461 PolarHBondContact O-N 3.24Å; I458-T461 PolarHBondContact O-OG1 3.33Å; T461-K465 VanDerWaalsContact O-CB 3.25Å; T461-K465 WeakPolarHBondContact O-CB 3.48Å; T461-K465 PolarHBondContact O-N 3.39Å
462	T	53.2	Low	55	Low	51 Å²	51	72 Å²	72	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-78.6	-38.7	173.7	53.5	0	0	0	0	111.1	I458 I459 D464 K465 F466	I458-T462 HydrophobicContact CG2-CG2 3.72Å; I458-T462 VanDerWaalsContact O-CB 3.26Å; I458-T462 WeakPolarHBondContact O-CB 3.42Å; I458-T462 VanDerWaalsContact O-CG2 3.29Å; I458-T462 WeakPolarHBondContact O-CG2 3.2Å; I458-T462 PolarHBondContact O-N 3.19Å; I458-T462 PolarHBondContact O-OG1 3.37Å; I459-T462 WeakPolarHBondContact CA-OG1 3.37Å; I459-T462 PolarHBondContact O-OG1 3.41Å; T462-D464 VanDerWaalsContact C-N 3.27Å; T462-D464 PolarHBondContact O-N 3.29Å; T462-K465 CarbonylContact O-C 3.48Å; T462-K465 PolarHBondContact O-N 3.2Å; T462-F466 WeakPolarHBondContact O-CB 3.33Å; T462-F466 WeakPolarHBondContact O-CD2 3.39Å; T462-F466 PolarHBondContact O-N 2.71Å
463	M	53.4	Low	54.4	Low	58 Å²	58	71.8 Å²	71.8	29%	0.286	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-38.6	173.5	-169.8	176.9	73.2	0	0	111.4	I459 I460 N467 V468 T469 F484	I459-M463 WeakPolarHBondContact O-CB 3.5Å; I459-M463 PolarHBondContact O-N 2.99Å; I460-M463 PolarHBondContact O-N 2.88Å; M463-N467 PolarHBondContact O-N 3.11Å; M463-V468 HydrophobicContact CG-CB 3.98Å; M463-V468 HydrophobicContact CG-CG1 4.31Å; M463-V468 PolarHBondContact O-N 3.32Å; M463-T469 HydrophobicContact CE-CG2 3.83Å; M463-T469 HydrophobicContact CG-CG2 4.29Å; M463-F484 HydrophobicContact CE-CE1 4.45Å
464	D	52.7	Low	54	Low	104 Å²	104	81.2 Å²	81.2	56%	0.556	42%	0.417	S	S	*	.	H	α-helix	trans	-66.7	-46.5	171.7	-162.5	45.6	0	0	0	111.7	I460 T462 F466 N467	I460-D464 WeakPolarHBondContact O-CB 3.34Å; I460-D464 PolarHBondContact O-N 2.95Å; T462-D464 VanDerWaalsContact C-N 3.27Å; T462-D464 PolarHBondContact O-N 3.29Å; D464-F466 VanDerWaalsContact C-N 3.33Å; D464-F466 PolarHBondContact O-N 2.88Å; D464-N467 PolarHBondContact O-N 3.13Å
465	K	51.6	Low	53.9	Low	176 Å²	176	84.5 Å²	84.5	77%	0.765	43%	0.432	S	S	*	.	H	α-helix	trans	-63.7	-31	177.3	-170.9	176.3	-178.2	178.9	0	114.2	T461 T462	T461-K465 VanDerWaalsContact O-CB 3.25Å; T461-K465 WeakPolarHBondContact O-CB 3.48Å; T461-K465 PolarHBondContact O-N 3.39Å; T462-K465 CarbonylContact O-C 3.48Å; T462-K465 PolarHBondContact O-N 3.2Å
466	F	53.9	Low	53.7	Low	154 Å²	154	91.2 Å²	91.2	68%	0.675	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	9.3	178.7	-73.1	-66.6	0	0	0	113.6	T462 D464 V468	T462-F466 WeakPolarHBondContact O-CB 3.33Å; T462-F466 WeakPolarHBondContact O-CD2 3.39Å; T462-F466 PolarHBondContact O-N 2.71Å; D464-F466 VanDerWaalsContact C-N 3.33Å; D464-F466 PolarHBondContact O-N 2.88Å; F466-V468 HydrophobicContact CB-CG2 3.96Å; F466-V468 PolarHBondContact O-N 2.98Å
467	N	52.9	Low	53.8	Low	86 Å²	86	94.9 Å²	94.9	46%	0.46	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	19.5	177.3	-103.1	-22	0	0	0	114.5	M463 D464 T469 K470	M463-N467 PolarHBondContact O-N 3.11Å; D464-N467 PolarHBondContact O-N 3.13Å; N467-T469 PolarHBondContact O-N 2.7Å; N467-K470 HydrophobicContact CB-CD 4.18Å; N467-K470 HydrophobicContact CB-CG 4.34Å; N467-K470 VanDerWaalsContact ND2-CE 3.31Å; N467-K470 WeakPolarHBondContact ND2-CE 3.28Å; N467-K470 PolarHBondContact ND2-NZ 3.36Å; N467-K470 PolarHBondContact O-N 2.67Å; N467-K470 WeakPolarHBondContact OD1-CE 3.43Å
468	V	53.3	Low	54.1	Low	93 Å²	93	96.3 Å²	96.3	56%	0.564	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.9	179	-177.1	0	0	0	0	110.8	M463 F466 P471	M463-V468 HydrophobicContact CG-CB 3.98Å; M463-V468 HydrophobicContact CG-CG1 4.31Å; M463-V468 PolarHBondContact O-N 3.32Å; F466-V468 HydrophobicContact CB-CG2 3.96Å; F466-V468 PolarHBondContact O-N 2.98Å; V468-P471 WeakPolarHBondContact O-CD 3.43Å
469	T	52.1	Low	54.1	Low	24 Å²	24	99.8 Å²	99.8	15%	0.147	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.5	175.4	36.1	0	0	0	0	115.2	M463 N467 P471 V472 E473	M463-T469 HydrophobicContact CE-CG2 3.83Å; M463-T469 HydrophobicContact CG-CG2 4.29Å; N467-T469 PolarHBondContact O-N 2.7Å; T469-P471 VanDerWaalsContact C-CD 3.43Å; T469-V472 CarbonylContact O-C 3.58Å; T469-V472 WeakPolarHBondContact O-CA 3.4Å; T469-V472 WeakPolarHBondContact O-CB 3.44Å; T469-V472 PolarHBondContact O-N 2.83Å; T469-E473 PolarHBondContact O-N 2.75Å
470	K	55	Low	54.2	Low	114 Å²	114	99.5 Å²	99.5	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-54.5	-37.3	179.9	-80.2	-175.4	165.5	174	0	115.7	N467 V472	N467-K470 HydrophobicContact CB-CD 4.18Å; N467-K470 HydrophobicContact CB-CG 4.34Å; N467-K470 VanDerWaalsContact ND2-CE 3.31Å; N467-K470 WeakPolarHBondContact ND2-CE 3.28Å; N467-K470 PolarHBondContact ND2-NZ 3.36Å; N467-K470 PolarHBondContact O-N 2.67Å; N467-K470 WeakPolarHBondContact OD1-CE 3.43Å; K470-V472 VanDerWaalsContact C-N 3.26Å; K470-V472 PolarHBondContact O-N 3.29Å
471	P	54.1	Low	54.2	Low	92 Å²	92	100.5 Å²	100.5	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-69.3	-24.8	172.9	-16.9	30.9	0	0	0	113.1	V468 T469	V468-P471 WeakPolarHBondContact O-CD 3.43Å; T469-P471 VanDerWaalsContact C-CD 3.43Å
472	V	53.7	Low	54.4	Low	52 Å²	52	103.2 Å²	103.2	32%	0.315	53%	0.526	S	S	.	.	H	α-helix	trans	-85.9	-30	-178.8	-176.7	0	0	0	0	111.4	T469 K470 Y474 L475 V480 T481	T469-V472 CarbonylContact O-C 3.58Å; T469-V472 WeakPolarHBondContact O-CA 3.4Å; T469-V472 WeakPolarHBondContact O-CB 3.44Å; T469-V472 PolarHBondContact O-N 2.83Å; K470-V472 VanDerWaalsContact C-N 3.26Å; K470-V472 PolarHBondContact O-N 3.29Å; V472-Y474 VanDerWaalsContact C-N 3.25Å; V472-Y474 PolarHBondContact O-N 3.05Å; V472-L475 CarbonylContact O-C 3.28Å; V472-L475 VanDerWaalsContact O-C 3.28Å; V472-L475 WeakPolarHBondContact O-CA 3.43Å; V472-L475 WeakPolarHBondContact O-CB 3.31Å; V472-L475 PolarHBondContact O-N 3.15Å; V472-V480 HydrophobicContact CG1-CG1 4.09Å; V472-T481 HydrophobicContact CG1-CG2 4.49Å
473	E	53.9	Low	54.8	Low	123 Å²	123	106.9 Å²	106.9	58%	0.575	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-31.7	169.2	-82.5	-179.7	142.9	0	0	112.6	T469 L475	T469-E473 PolarHBondContact O-N 2.75Å; E473-L475 VanDerWaalsContact C-N 3.25Å; E473-L475 PolarHBondContact O-N 3.49Å
474	Y	55.4	Low	55.2	Low	222 Å²	222	109.1 Å²	109.1	87%	0.871	55%	0.546	S	S	*	.	S	Bend	trans	-67.2	-27.4	171.6	-108.4	-84	0	0	0	112.5	V472 N476	V472-Y474 VanDerWaalsContact C-N 3.25Å; V472-Y474 PolarHBondContact O-N 3.05Å; Y474-N476 PolarHBondContact O-N 3.27Å; Y474-N476 VanDerWaalsContact O-N 3.14Å
475	L	56.9	Low	55.2	Low	101 Å²	101	105.9 Å²	105.9	53%	0.529	53%	0.531	S	S	.	.	S	Bend	trans	-84.9	70.9	168	-67	165.9	0	0	0	108.1	V472 E473 N477	V472-L475 CarbonylContact O-C 3.28Å; V472-L475 VanDerWaalsContact O-C 3.28Å; V472-L475 WeakPolarHBondContact O-CA 3.43Å; V472-L475 WeakPolarHBondContact O-CB 3.31Å; V472-L475 PolarHBondContact O-N 3.15Å; E473-L475 VanDerWaalsContact C-N 3.25Å; E473-L475 PolarHBondContact O-N 3.49Å; L475-N477 PolarHBondContact O-N 3.2Å
476	N	55.9	Low	55.4	Low	151 Å²	151	100.5 Å²	100.5	81%	0.807	51%	0.513	S	S	*	.			trans	-68.3	43.8	-175.7	-147.7	10.7	0	0	0	113.4	Y474	Y474-N476 PolarHBondContact O-N 3.27Å; Y474-N476 VanDerWaalsContact O-N 3.14Å
477	N	57.9	Low	55.7	Low	91 Å²	91	96.9 Å²	96.9	49%	0.487	50%	0.5	S	S	.	.			trans	-98.3	114.9	177	-95.3	-49.1	0	0	0	108.7	L475 I479 V480 T481	L475-N477 PolarHBondContact O-N 3.2Å; N477-I479 PolarHBondContact O-N 3.28Å; N477-V480 HydrophobicContact CB-CG2 4.18Å; N477-V480 PolarHBondContact O-N 3.48Å; N477-T481 PolarHBondContact O-N 2.85Å; N477-T481 PolarHBondContact O-OG1 2.92Å
478	P	56.6	Low	56	Low	78 Å²	78	94.3 Å²	94.3	51%	0.506	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-23.1	178.5	23.9	-33	0	0	0	112.1	Q482	P478-Q482 VanDerWaalsContact O-CB 3.25Å; P478-Q482 WeakPolarHBondContact O-CB 3.3Å; P478-Q482 WeakPolarHBondContact O-CG 3.48Å; P478-Q482 PolarHBondContact O-N 2.83Å; P478-Q482 VanDerWaalsContact O-N 3.1Å
479	I	53.2	Low	56.3	Low	123 Å²	123	94.1 Å²	94.1	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-63	-48.2	173.3	-59.9	170	0	0	0	110.5	N477 F483	N477-I479 PolarHBondContact O-N 3.28Å; I479-F483 WeakPolarHBondContact O-CA 3.22Å; I479-F483 WeakPolarHBondContact O-CB 3.39Å; I479-F483 PolarHBondContact O-N 3.12Å
480	V	56.5	Low	56.8	Low	61 Å²	61	101.7 Å²	101.7	37%	0.37	51%	0.508	S	S	.	.	H	α-helix	trans	-72.6	-41.4	-175.4	-179.7	0	0	0	0	111.1	V472 N477 F484	V472-V480 HydrophobicContact CG1-CG1 4.09Å; N477-V480 HydrophobicContact CB-CG2 4.18Å; N477-V480 PolarHBondContact O-N 3.48Å; V480-F484 WeakPolarHBondContact O-CB 3.34Å; V480-F484 PolarHBondContact O-N 3.24Å
481	T	55.3	Low	57.4	Low	71 Å²	71	99 Å²	99	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-73.8	-29.4	-176.7	54.9	0	0	0	0	113.4	V472 N477 P485	V472-T481 HydrophobicContact CG1-CG2 4.49Å; N477-T481 PolarHBondContact O-N 2.85Å; N477-T481 PolarHBondContact O-OG1 2.92Å; T481-P485 WeakPolarHBondContact O-CD 3.35Å; T481-P485 WeakPolarHBondContact O-CG 3.35Å
482	Q	54.9	Low	57.9	Low	142 Å²	142	97 Å²	97	66%	0.664	49%	0.485	S	S	*	.	H	α-helix	trans	-93.9	-36.9	176.6	-62.5	-178.9	-9.3	0	0	113.1	P478 T486	P478-Q482 VanDerWaalsContact O-CB 3.25Å; P478-Q482 WeakPolarHBondContact O-CB 3.3Å; P478-Q482 WeakPolarHBondContact O-CG 3.48Å; P478-Q482 PolarHBondContact O-N 2.83Å; P478-Q482 VanDerWaalsContact O-N 3.1Å; Q482-T486 PolarHBondContact O-OG1 3.2Å
483	F	62.3	Low	58.4	Low	128 Å²	128	97.4 Å²	97.4	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-80.3	-35.4	-175.4	-170.4	-109.9	0	0	0	113.1	I479 T486 L487	I479-F483 WeakPolarHBondContact O-CA 3.22Å; I479-F483 WeakPolarHBondContact O-CB 3.39Å; I479-F483 PolarHBondContact O-N 3.12Å; F483-T486 PolarHBondContact O-N 2.84Å; F483-L487 HydrophobicContact CD1-CB 4.33Å; F483-L487 HydrophobicContact CD1-CD1 4.2Å; F483-L487 HydrophobicContact CE1-CB 4.22Å; F483-L487 HydrophobicContact CE1-CD1 3.38Å; F483-L487 HydrophobicContact CE1-CG 4.42Å; F483-L487 HydrophobicContact CZ-CD1 3.76Å; F483-L487 VanDerWaalsContact O-CB 3.31Å; F483-L487 WeakPolarHBondContact O-CB 3.1Å; F483-L487 PolarHBondContact O-N 2.9Å
484	F	60.8	Low	59	Low	105 Å²	105	94.2 Å²	94.2	46%	0.461	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-46.7	-176	-178	-96	0	0	0	113	M463 V480 T486 L487 L488	M463-F484 HydrophobicContact CE-CE1 4.45Å; V480-F484 WeakPolarHBondContact O-CB 3.34Å; V480-F484 PolarHBondContact O-N 3.24Å; F484-T486 VanDerWaalsContact C-N 3.31Å; F484-T486 PolarHBondContact O-N 3.46Å; F484-L487 PolarHBondContact O-N 3.33Å; F484-L488 HydrophobicContact CE1-CD1 3.92Å; F484-L488 HydrophobicContact CZ-CD1 3.99Å; F484-L488 WeakPolarHBondContact O-CB 3.25Å; F484-L488 PolarHBondContact O-N 2.86Å
485	P	52.8	Low	59.8	Low	36 Å²	36	87.3 Å²	87.3	23%	0.234	46%	0.463	C	S	.	.	H	α-helix	trans	-59.3	-39.6	174.4	-26.4	37.5	0	0	0	113.4	I460 T481 L489	I460-P485 HydrophobicContact CD1-CB 3.69Å; I460-P485 HydrophobicContact CG1-CB 4.28Å; T481-P485 WeakPolarHBondContact O-CD 3.35Å; T481-P485 WeakPolarHBondContact O-CG 3.35Å; P485-L489 WeakPolarHBondContact O-CB 3.49Å; P485-L489 PolarHBondContact O-N 3.32Å
486	T	55.6	Low	60.5	Low	63 Å²	63	83.8 Å²	83.8	39%	0.387	45%	0.445	S	S	.	.	H	α-helix	trans	-73.2	-42.9	-178.1	-34	0	0	0	0	111.8	V35 Q482 F483 F484 L489 W490	V35-T486 HydrophobicContact CG2-CG2 4.19Å; Q482-T486 PolarHBondContact O-OG1 3.2Å; F483-T486 PolarHBondContact O-N 2.84Å; F484-T486 VanDerWaalsContact C-N 3.31Å; F484-T486 PolarHBondContact O-N 3.46Å; T486-L489 PolarHBondContact O-N 3.17Å; T486-W490 WeakPolarHBondContact O-CB 3.43Å; T486-W490 PolarHBondContact O-N 2.73Å
487	L	61.4	Low	61	Low	79 Å²	79	77.1 Å²	77.1	41%	0.414	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-39	175.3	-178.7	140.7	0	0	0	111.4	F483 F484 W490 S491	F483-L487 HydrophobicContact CD1-CB 4.33Å; F483-L487 HydrophobicContact CD1-CD1 4.2Å; F483-L487 HydrophobicContact CE1-CB 4.22Å; F483-L487 HydrophobicContact CE1-CD1 3.38Å; F483-L487 HydrophobicContact CE1-CG 4.42Å; F483-L487 HydrophobicContact CZ-CD1 3.76Å; F483-L487 VanDerWaalsContact O-CB 3.31Å; F483-L487 WeakPolarHBondContact O-CB 3.1Å; F483-L487 PolarHBondContact O-N 2.9Å; F484-L487 PolarHBondContact O-N 3.33Å; L487-W490 PolarHBondContact O-N 3.38Å; L487-S491 WeakPolarHBondContact O-CB 3.48Å; L487-S491 PolarHBondContact O-N 2.85Å
488	L	59.2	Low	61.9	Low	32 Å²	32	75.5 Å²	75.5	17%	0.168	40%	0.403	C	S	.	.	H	α-helix	trans	-64	-44.7	176	-177.9	136.7	0	0	0	111.2	P456 F484 F492	P456-L488 HydrophobicContact CB-CD2 4.15Å; F484-L488 HydrophobicContact CE1-CD1 3.92Å; F484-L488 HydrophobicContact CZ-CD1 3.99Å; F484-L488 WeakPolarHBondContact O-CB 3.25Å; F484-L488 PolarHBondContact O-N 2.86Å; L488-F492 HydrophobicContact CD1-CE2 4Å; L488-F492 HydrophobicContact CD2-CD2 3.69Å; L488-F492 HydrophobicContact CD2-CE2 3.52Å; L488-F492 HydrophobicContact CG-CD2 3.79Å; L488-F492 HydrophobicContact CG-CE2 3.45Å; L488-F492 VanDerWaalsContact CG-CE2 3.45Å; L488-F492 HydrophobicContact CG-CZ 4.47Å; L488-F492 WeakPolarHBondContact O-CB 3.3Å; L488-F492 WeakPolarHBondContact O-CD2 3.42Å; L488-F492 WeakPolarHBondContact O-CG 3.03Å; L488-F492 PolarHBondContact O-N 3.33Å
489	L	58.9	Low	63	Low	89 Å²	89	73.6 Å²	73.6	47%	0.466	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-44.6	175.2	-169.9	148.8	0	0	0	111.8	P456 P485 T486 F492 S493	P456-L489 HydrophobicContact CB-CB 4.23Å; P456-L489 HydrophobicContact CB-CD1 4.19Å; P456-L489 HydrophobicContact CB-CG 4.19Å; P456-L489 HydrophobicContact CG-CB 4.5Å; P456-L489 HydrophobicContact CG-CD1 4.44Å; P456-L489 HydrophobicContact CG-CG 4.14Å; P485-L489 WeakPolarHBondContact O-CB 3.49Å; P485-L489 PolarHBondContact O-N 3.32Å; T486-L489 PolarHBondContact O-N 3.17Å; L489-F492 PolarHBondContact O-N 3.34Å; L489-S493 WeakPolarHBondContact O-CB 3.31Å; L489-S493 PolarHBondContact O-N 3.46Å; L489-S493 PolarHBondContact O-OG 3.47Å
490	W	63.3	Low	64.4	Low	183 Å²	183	68 Å²	68	69%	0.693	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-46.9	177.2	-176	77.2	0	0	0	111.9	T486 L487 F492 S493 A494	T486-W490 WeakPolarHBondContact O-CB 3.43Å; T486-W490 PolarHBondContact O-N 2.73Å; L487-W490 PolarHBondContact O-N 3.38Å; W490-F492 PolarHBondContact O-N 3.4Å; W490-S493 PolarHBondContact O-N 3.42Å; W490-S493 PolarHBondContact O-OG 2.85Å; W490-A494 PolarHBondContact O-N 2.78Å
491	S	65.8	Low	65.5	Low	58 Å²	58	67.8 Å²	67.8	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-59.7	-45.4	177.6	179.7	0	0	0	0	112	L487 A494 L495	L487-S491 WeakPolarHBondContact O-CB 3.48Å; L487-S491 PolarHBondContact O-N 2.85Å; S491-A494 PolarHBondContact O-N 3.22Å; S491-L495 WeakPolarHBondContact O-CB 3.33Å; S491-L495 PolarHBondContact O-N 2.94Å
492	F	66.4	Low	66.9	Low	48 Å²	48	69.2 Å²	69.2	21%	0.211	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-39.9	176.7	-74.8	-47.1	0	0	0	112.5	L453 L488 L489 W490 A494 L495 L496	L453-F492 HydrophobicContact CD1-CD1 3.55Å; L453-F492 HydrophobicContact CD1-CE1 3.66Å; L453-F492 HydrophobicContact CD1-CG 4.4Å; L453-F492 HydrophobicContact CD2-CB 3.79Å; L453-F492 HydrophobicContact CD2-CD1 3.74Å; L453-F492 HydrophobicContact CD2-CG 4.02Å; L453-F492 HydrophobicContact CG-CB 4.27Å; L453-F492 HydrophobicContact CG-CD1 3.64Å; L453-F492 HydrophobicContact CG-CE1 4.14Å; L453-F492 HydrophobicContact CG-CG 4.01Å; L488-F492 HydrophobicContact CD1-CE2 4Å; L488-F492 HydrophobicContact CD2-CD2 3.69Å; L488-F492 HydrophobicContact CD2-CE2 3.52Å; L488-F492 HydrophobicContact CG-CD2 3.79Å; L488-F492 HydrophobicContact CG-CE2 3.45Å; L488-F492 VanDerWaalsContact CG-CE2 3.45Å; L488-F492 HydrophobicContact CG-CZ 4.47Å; L488-F492 WeakPolarHBondContact O-CB 3.3Å; L488-F492 WeakPolarHBondContact O-CD2 3.42Å; L488-F492 WeakPolarHBondContact O-CG 3.03Å; L488-F492 PolarHBondContact O-N 3.33Å; L489-F492 PolarHBondContact O-N 3.34Å; W490-F492 PolarHBondContact O-N 3.4Å; F492-A494 VanDerWaalsContact C-N 3.29Å; F492-A494 PolarHBondContact O-N 3.42Å; F492-L495 PolarHBondContact O-N 3.03Å; F492-L496 VanDerWaalsContact O-CG 3.29Å; F492-L496 WeakPolarHBondContact O-CG 3.46Å; F492-L496 PolarHBondContact O-N 3.33Å
493	S	63.5	Low	68.4	Low	61 Å²	61	62.9 Å²	62.9	43%	0.427	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-35.2	176.1	76.3	0	0	0	0	113.1	L489 W490 P497	L489-S493 WeakPolarHBondContact O-CB 3.31Å; L489-S493 PolarHBondContact O-N 3.46Å; L489-S493 PolarHBondContact O-OG 3.47Å; W490-S493 PolarHBondContact O-N 3.42Å; W490-S493 PolarHBondContact O-OG 2.85Å; S493-P497 WeakPolarHBondContact O-CD 3.41Å
494	A	66.9	Low	69.5	Low	57 Å²	57	56.8 Å²	56.8	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-76.4	-29.6	175.9	0	0	0	0	0	113.1	W490 S491 F492	W490-A494 PolarHBondContact O-N 2.78Å; S491-A494 PolarHBondContact O-N 3.22Å; F492-A494 VanDerWaalsContact C-N 3.29Å; F492-A494 PolarHBondContact O-N 3.42Å
495	L	71.8	Confident	70.6	Confident	77 Å²	77	56.1 Å²	56.1	40%	0.403	29%	0.293	S	S	.	.	H	α-helix	trans	-79.8	-35.1	-178.2	-170.3	68.7	0	0	0	113	S491 F492 P497 T498 I499	S491-L495 WeakPolarHBondContact O-CB 3.33Å; S491-L495 PolarHBondContact O-N 2.94Å; F492-L495 PolarHBondContact O-N 3.03Å; L495-P497 VanDerWaalsContact C-CD 3.49Å; L495-T498 WeakPolarHBondContact O-CB 3.04Å; L495-T498 PolarHBondContact O-N 3.47Å; L495-T498 VanDerWaalsContact O-N 3.09Å; L495-I499 HydrophobicContact CB-CD1 4.38Å; L495-I499 HydrophobicContact CD2-CD1 3.83Å; L495-I499 HydrophobicContact CD2-CG1 4.48Å; L495-I499 HydrophobicContact CG-CD1 3.62Å; L495-I499 HydrophobicContact CG-CG1 3.98Å; L495-I499 WeakPolarHBondContact O-CG1 3.39Å; L495-I499 PolarHBondContact O-N 3.17Å
496	L	70.7	Confident	72.2	Confident	27 Å²	27	59.4 Å²	59.4	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-47.1	-51.1	-175.9	-80.5	165.9	0	0	0	114.2	L450 L453 T454 F492 T498 I499 V500	L450-L496 HydrophobicContact CD2-CD2 3.3Å; L453-L496 HydrophobicContact CB-CD2 4.36Å; L453-L496 HydrophobicContact CD2-CD1 4.19Å; L453-L496 HydrophobicContact CD2-CD2 3.32Å; L453-L496 HydrophobicContact CD2-CG 3.46Å; L453-L496 VanDerWaalsContact CD2-CG 3.46Å; L453-L496 HydrophobicContact CG-CD2 4.45Å; T454-L496 HydrophobicContact CG2-CD1 4.02Å; T454-L496 HydrophobicContact CG2-CD2 4.1Å; F492-L496 VanDerWaalsContact O-CG 3.29Å; F492-L496 WeakPolarHBondContact O-CG 3.46Å; F492-L496 PolarHBondContact O-N 3.33Å; L496-T498 VanDerWaalsContact C-N 3.3Å; L496-T498 PolarHBondContact O-N 2.99Å; L496-I499 PolarHBondContact O-N 3.5Å; L496-V500 WeakPolarHBondContact O-CG2 3.41Å; L496-V500 PolarHBondContact O-N 3.15Å; L496-V500 VanDerWaalsContact O-N 3.16Å
497	P	67.8	Low	73.7	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.071	29%	0.285	C	S	.	.	H	α-helix	trans	-70.7	-30.9	-175.7	-18.7	35.9	0	0	0	112.2	S493 L495 V500 Y501 L527 W631	S493-P497 WeakPolarHBondContact O-CD 3.41Å; L495-P497 VanDerWaalsContact C-CD 3.49Å; P497-V500 PolarHBondContact O-N 3.37Å; P497-Y501 PolarHBondContact O-N 3.45Å; P497-L527 HydrophobicContact CB-CD2 4.33Å; P497-L527 HydrophobicContact CG-CD2 4.11Å; P497-W631 HydrophobicContact CB-CH2 3.95Å; P497-W631 HydrophobicContact CB-CZ2 3.12Å; P497-W631 HydrophobicContact CG-CH2 3.43Å; P497-W631 VanDerWaalsContact CG-CH2 3.43Å; P497-W631 HydrophobicContact CG-CZ2 3.15Å
498	T	75.6	Confident	74.9	Confident	56 Å²	56	53.1 Å²	53.1	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-39.8	174.6	-56.3	0	0	0	0	110.7	L495 L496 Y501 Y502	L495-T498 WeakPolarHBondContact O-CB 3.04Å; L495-T498 PolarHBondContact O-N 3.47Å; L495-T498 VanDerWaalsContact O-N 3.09Å; L496-T498 VanDerWaalsContact C-N 3.3Å; L496-T498 PolarHBondContact O-N 2.99Å; T498-Y501 PolarHBondContact O-N 3.35Å; T498-Y502 HydrophobicContact CG2-CD2 3.65Å; T498-Y502 HydrophobicContact CG2-CE2 3.46Å; T498-Y502 VanDerWaalsContact CG2-CE2 3.46Å; T498-Y502 WeakPolarHBondContact O-CD2 3.32Å; T498-Y502 PolarHBondContact O-N 2.89Å
499	I	81.1	Confident	76.3	Confident	38 Å²	38	52.6 Å²	52.6	20%	0.195	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-42.9	175.8	-64	156.2	0	0	0	111.3	L446 L449 L495 L496 Y501 Y502 S503	L446-I499 HydrophobicContact CD1-CG2 3.84Å; L449-I499 HydrophobicContact CD2-CD1 3.87Å; L449-I499 HydrophobicContact CD2-CG2 3.85Å; L495-I499 HydrophobicContact CB-CD1 4.38Å; L495-I499 HydrophobicContact CD2-CD1 3.83Å; L495-I499 HydrophobicContact CD2-CG1 4.48Å; L495-I499 HydrophobicContact CG-CD1 3.62Å; L495-I499 HydrophobicContact CG-CG1 3.98Å; L495-I499 WeakPolarHBondContact O-CG1 3.39Å; L495-I499 PolarHBondContact O-N 3.17Å; L496-I499 PolarHBondContact O-N 3.5Å; I499-Y501 VanDerWaalsContact C-N 3.3Å; I499-Y501 PolarHBondContact O-N 3.23Å; I499-Y502 PolarHBondContact O-N 2.93Å; I499-S503 PolarHBondContact O-N 2.99Å
500	V	80.9	Confident	77.8	Confident	7 Å²	7	52 Å²	52	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-34.6	177	-178.9	0	0	0	0	111.7	L446 L450 L496 P497 S503 A504 K522 C523 F526	L446-V500 HydrophobicContact CD1-CG2 4.22Å; L450-V500 HydrophobicContact CD1-CG2 3.92Å; L450-V500 HydrophobicContact CD2-CG2 4.03Å; L496-V500 WeakPolarHBondContact O-CG2 3.41Å; L496-V500 PolarHBondContact O-N 3.15Å; L496-V500 VanDerWaalsContact O-N 3.16Å; P497-V500 PolarHBondContact O-N 3.37Å; V500-S503 PolarHBondContact O-OG 2.69Å; V500-A504 PolarHBondContact O-N 2.84Å; V500-K522 HydrophobicContact CG1-CB 4.43Å; V500-C523 HydrophobicContact CG1-CB 4.16Å; V500-F526 HydrophobicContact CG1-CD2 3.98Å; V500-F526 HydrophobicContact CG2-CB 4.31Å; V500-F526 HydrophobicContact CG2-CD2 4.41Å
501	Y	80.8	Confident	79	Confident	56 Å²	56	45.2 Å²	45.2	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-50.3	173.2	171.8	-97.7	0	0	0	111.5	P497 T498 I499 S503 A504 F505 T519 Q624 A627	P497-Y501 PolarHBondContact O-N 3.45Å; T498-Y501 PolarHBondContact O-N 3.35Å; I499-Y501 VanDerWaalsContact C-N 3.3Å; I499-Y501 PolarHBondContact O-N 3.23Å; Y501-S503 VanDerWaalsContact C-N 3.29Å; Y501-S503 PolarHBondContact O-N 2.85Å; Y501-A504 PolarHBondContact O-N 3.47Å; Y501-F505 PolarHBondContact O-N 3.16Å; Y501-T519 HydrophobicContact CD2-CG2 4.06Å; Y501-Q624 HydrophobicContact CE2-CB 4.37Å; Y501-Q624 HydrophobicContact CE2-CG 4.01Å; Y501-A627 HydrophobicContact CD2-CB 4.29Å
502	Y	83.5	Confident	80	Confident	101 Å²	101	45.4 Å²	45.4	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-29.3	-179.5	-79.7	-65.1	0	0	0	113.1	T498 I499 A504 F505 F506	T498-Y502 HydrophobicContact CG2-CD2 3.65Å; T498-Y502 HydrophobicContact CG2-CE2 3.46Å; T498-Y502 VanDerWaalsContact CG2-CE2 3.46Å; T498-Y502 WeakPolarHBondContact O-CD2 3.32Å; T498-Y502 PolarHBondContact O-N 2.89Å; I499-Y502 PolarHBondContact O-N 2.93Å; Y502-A504 VanDerWaalsContact C-N 3.33Å; Y502-A504 PolarHBondContact O-N 3.42Å; Y502-F505 WeakPolarHBondContact O-CB 3.25Å; Y502-F505 PolarHBondContact O-N 3.35Å; Y502-F506 WeakPolarHBondContact O-CD2 3.31Å; Y502-F506 WeakPolarHBondContact O-CG 2.96Å; Y502-F506 PolarHBondContact O-N 3.33Å
503	S	87.9	Confident	81	Confident	8 Å²	8	43.6 Å²	43.6	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-41	174.9	71	0	0	0	0	111.9	L446 I499 V500 Y501 F506 E507	L446-S503 WeakPolarHBondContact CD2-OG 3.26Å; I499-S503 PolarHBondContact O-N 2.99Å; V500-S503 PolarHBondContact O-OG 2.69Å; Y501-S503 VanDerWaalsContact C-N 3.29Å; Y501-S503 PolarHBondContact O-N 2.85Å; S503-F506 PolarHBondContact O-N 3.34Å; S503-E507 WeakPolarHBondContact O-CG 3.5Å; S503-E507 PolarHBondContact O-N 3.45Å
504	A	84.1	Confident	82.1	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-38.9	175.2	0	0	0	0	0	112.3	V500 Y501 Y502 F506 E507 T519	V500-A504 PolarHBondContact O-N 2.84Å; Y501-A504 PolarHBondContact O-N 3.47Å; Y502-A504 VanDerWaalsContact C-N 3.33Å; Y502-A504 PolarHBondContact O-N 3.42Å; A504-F506 VanDerWaalsContact C-N 3.32Å; A504-F506 PolarHBondContact O-N 2.91Å; A504-E507 WeakPolarHBondContact O-CB 3.31Å; A504-E507 PolarHBondContact O-N 2.8Å; A504-E507 VanDerWaalsContact O-N 3.13Å; A504-T519 HydrophobicContact CB-CG2 4.37Å; A504-T519 WeakPolarHBondContact CB-OG1 3.29Å
505	F	84.1	Confident	83.1	Confident	91 Å²	91	39.1 Å²	39.1	40%	0.399	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-43.6	173.1	177.5	-99.8	0	0	0	111.5	Y501 Y502 E507 A508	Y501-F505 PolarHBondContact O-N 3.16Å; Y502-F505 WeakPolarHBondContact O-CB 3.25Å; Y502-F505 PolarHBondContact O-N 3.35Å; F505-E507 PolarHBondContact O-N 3.03Å; F505-A508 PolarHBondContact O-N 2.97Å
506	F	86.5	Confident	84	Confident	105 Å²	105	35.8 Å²	35.8	46%	0.461	17%	0.172	S	C	.	.	H	α-helix	trans	-67.3	-13.5	178.1	-70.8	-56.1	0	0	0	113.3	R438 I442 Y502 S503 A504 A508	R438-F506 PolarHBondContact NE-O 3.47Å; R438-F506 PolarHBondContact NH2-O 3.38Å; I442-F506 HydrophobicContact CD1-CB 3.76Å; I442-F506 WeakPolarHBondContact CD1-O 3.28Å; Y502-F506 WeakPolarHBondContact O-CD2 3.31Å; Y502-F506 WeakPolarHBondContact O-CG 2.96Å; Y502-F506 PolarHBondContact O-N 3.33Å; S503-F506 PolarHBondContact O-N 3.34Å; A504-F506 VanDerWaalsContact C-N 3.32Å; A504-F506 PolarHBondContact O-N 2.91Å; F506-A508 PolarHBondContact O-N 3.35Å
507	E	87.1	Confident	84.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.7	178	-73.4	168	-177.6	0	0	114.1	W435 I442 N443 S503 A504 F505 H509 K522	W435-E507 VanDerWaalsContact CD1-O 3.29Å; W435-E507 PolarHBondContact NE1-O 3.28Å; I442-E507 HydrophobicContact CD1-CG 4.14Å; I442-E507 HydrophobicContact CG2-CG 4.46Å; N443-E507 PolarHBondContact ND2-OE1 3.27Å; S503-E507 WeakPolarHBondContact O-CG 3.5Å; S503-E507 PolarHBondContact O-N 3.45Å; A504-E507 WeakPolarHBondContact O-CB 3.31Å; A504-E507 PolarHBondContact O-N 2.8Å; A504-E507 VanDerWaalsContact O-N 3.13Å; F505-E507 PolarHBondContact O-N 3.03Å; E507-H509 IonicContact OE2-CE1 3.61Å; E507-H509 IonicContact OE2-NE2 2.59Å; E507-H509 PolarHBondContact OE2-NE2 3Å; E507-K522 IonicContact OE1-NZ 3.76Å; E507-K522 PolarHBondContact OE1-NZ 2.88Å; E507-K522 IonicContact OE2-NZ 3.16Å; E507-K522 PolarHBondContact OE2-NZ 3.45Å
508	A	87.6	Confident	85.8	Confident	9 Å²	9	40.5 Å²	40.5	7%	0.074	19%	0.19	C	C	.	.			trans	53.9	63.7	176.4	0	0	0	0	0	113.2	H427 F505 F506	H427-A508 HydrophobicContact CB-CB 4.41Å; F505-A508 PolarHBondContact O-N 2.97Å; F506-A508 PolarHBondContact O-N 3.35Å
509	H	88.9	Confident	86.5	Confident	20 Å²	20	38 Å²	38	9%	0.093	17%	0.174	C	C	.	.			trans	-70.9	147.3	175.6	-68.3	-88.6	0	0	0	111.6	Y424 H427 W435 E507 T511 E515 T518	Y424-H509 WeakPolarHBondContact CD2-O 3.45Å; H427-H509 WeakPolarHBondContact CB-O 3.38Å; H427-H509 PolarHBondContact ND1-O 3.4Å; H427-H509 VanDerWaalsContact ND1-O 3.07Å; W435-H509 AromaticContact CZ2-CE1 3.78Å; E507-H509 IonicContact OE2-CE1 3.61Å; E507-H509 IonicContact OE2-NE2 2.59Å; E507-H509 PolarHBondContact OE2-NE2 3Å; H509-T511 VanDerWaalsContact C-N 3.3Å; H509-T511 PolarHBondContact O-N 2.98Å; H509-E515 HydrophobicContact CB-CB 4.09Å; H509-T518 PolarHBondContact CE1-OG1 3.41Å
510	W	89.3	Confident	86.9	Confident	78 Å²	78	36.1 Å²	36.1	30%	0.295	17%	0.165	S	C	.	.	S	Bend	trans	-70.1	-21.7	179.4	-61.1	-21.6	0	0	0	114.5	F248 M366 Y424 H427 L428 V430	F248-W510 HydrophobicContact CE1-CZ3 4.38Å; M366-W510 HydrophobicContact SD-CH2 4.43Å; Y424-W510 PolarHBondContact N-O 3.33Å; H427-W510 VanDerWaalsContact O-CD1 3.28Å; L428-W510 HydrophobicContact CD1-CB 4.36Å; V430-W510 PolarHBondContact O-NE1 3.37Å
511	T	88.6	Confident	87.3	Confident	39 Å²	39	38.7 Å²	38.7	24%	0.239	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-129.9	145	-177.6	60.5	0	0	0	0	111.4	P418 N422 H509 S513 G514 E515	P418-T511 HydrophobicContact CB-CG2 4.28Å; P418-T511 HydrophobicContact CG-CG2 4.05Å; N422-T511 CarbonylContact O-C 3.55Å; N422-T511 WeakPolarHBondContact O-CA 3.48Å; H509-T511 VanDerWaalsContact C-N 3.3Å; H509-T511 PolarHBondContact O-N 2.98Å; T511-S513 VanDerWaalsContact C-N 3.26Å; T511-S513 PolarHBondContact O-N 2.83Å; T511-G514 PolarHBondContact O-N 3.36Å; T511-G514 VanDerWaalsContact O-N 3.17Å; T511-G514 PolarHBondContact OG1-N 3.15Å; T511-G514 VanDerWaalsContact OG1-N 3.11Å; T511-E515 PolarHBondContact O-N 3.03Å
512	R	86.6	Confident	87.7	Confident	63 Å²	63	37.6 Å²	37.6	24%	0.238	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-39.7	174.9	-67.6	174.2	175.1	-151.7	-13.5	111.8	Q421 N422 Y424 N516 E622 L677	Q421-R512 VanDerWaalsContact O-CD 3.31Å; Q421-R512 WeakPolarHBondContact O-CD 3.29Å; Q421-R512 PolarHBondContact O-NE 2.89Å; N422-R512 PolarHBondContact O-N 2.92Å; N422-R512 WeakPolarHBondContact OD1-CB 3.4Å; N422-R512 PolarHBondContact OD1-N 2.82Å; Y424-R512 HydrophobicContact CD1-CG 4.22Å; Y424-R512 HydrophobicContact CD2-CG 3.97Å; Y424-R512 HydrophobicContact CE1-CG 3.69Å; Y424-R512 VanDerWaalsContact CE2-CA 3.46Å; Y424-R512 HydrophobicContact CE2-CB 4.03Å; Y424-R512 HydrophobicContact CE2-CG 3.45Å; Y424-R512 VanDerWaalsContact CE2-CG 3.45Å; Y424-R512 HydrophobicContact CG-CG 4.35Å; R512-N516 PolarHBondContact O-N 3.32Å; R512-N516 PolarHBondContact O-ND2 3.38Å; R512-E622 IonicContact CZ-OE1 3.69Å; R512-E622 IonicContact CZ-OE2 2.68Å; R512-E622 VanDerWaalsContact NH1-CD 3.29Å; R512-E622 IonicContact NH1-OE1 3.21Å; R512-E622 PolarHBondContact NH1-OE1 3.32Å; R512-E622 IonicContact NH1-OE2 2.76Å; R512-E622 PolarHBondContact NH1-OE2 3.43Å; R512-E622 IonicContact NH2-OE1 2.86Å; R512-E622 PolarHBondContact NH2-OE1 3.21Å; R512-E622 IonicContact NH2-OE2 2.7Å; R512-L677 HydrophobicContact CB-CD2 4.45Å
513	S	87.5	Confident	87.9	Confident	9 Å²	9	33 Å²	33	6%	0.063	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-40.5	175.9	-60.4	0	0	0	0	112.7	N422 T511 R517 L677 D678	N422-S513 VanDerWaalsContact CG-OG 3.23Å; N422-S513 PolarHBondContact ND2-OG 3.19Å; N422-S513 WeakPolarHBondContact OD1-CB 3.48Å; N422-S513 PolarHBondContact OD1-N 3.46Å; N422-S513 PolarHBondContact OD1-OG 3.39Å; T511-S513 VanDerWaalsContact C-N 3.26Å; T511-S513 PolarHBondContact O-N 2.83Å; S513-R517 VanDerWaalsContact O-CB 3.28Å; S513-R517 WeakPolarHBondContact O-CB 3.43Å; S513-R517 PolarHBondContact O-N 2.75Å; S513-L677 WeakPolarHBondContact OG-CA 3.24Å; S513-D678 PolarHBondContact OG-N 2.87Å
514	G	87.4	Confident	88	Confident	20 Å²	20	33.1 Å²	33.1	21%	0.206	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-43.1	177	0	0	0	0	0	112.6	T511 R517 T518	T511-G514 PolarHBondContact O-N 3.36Å; T511-G514 VanDerWaalsContact O-N 3.17Å; T511-G514 PolarHBondContact OG1-N 3.15Å; T511-G514 VanDerWaalsContact OG1-N 3.11Å; G514-R517 PolarHBondContact O-N 3.41Å; G514-T518 WeakPolarHBondContact O-CB 3.29Å; G514-T518 PolarHBondContact O-N 3.26Å; G514-T518 PolarHBondContact O-OG1 3.04Å
515	E	88.3	Confident	88.2	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-53.6	174.6	-174.2	-174	-177.7	0	0	111.2	Y424 H509 T511 R517 T518 T519	Y424-E515 HydrophobicContact CE2-CB 4.4Å; Y424-E515 WeakPolarHBondContact CE2-OE2 3.44Å; Y424-E515 PolarHBondContact OH-OE2 3.14Å; H509-E515 HydrophobicContact CB-CB 4.09Å; T511-E515 PolarHBondContact O-N 3.03Å; E515-R517 VanDerWaalsContact C-N 3.34Å; E515-R517 PolarHBondContact O-N 3.2Å; E515-T518 PolarHBondContact O-N 2.8Å; E515-T519 WeakPolarHBondContact O-CB 3.4Å; E515-T519 PolarHBondContact O-N 3.46Å; E515-T519 PolarHBondContact O-OG1 3.45Å
516	N	89	Confident	88.2	Confident	7 Å²	7	35 Å²	35	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-40.4	-178.8	-86.5	-80.1	0	0	0	112.4	R512 T519 M520 Q624 F625 G626 I681	R512-N516 PolarHBondContact O-N 3.32Å; R512-N516 PolarHBondContact O-ND2 3.38Å; N516-T519 PolarHBondContact O-N 3.33Å; N516-M520 WeakPolarHBondContact O-CB 3.45Å; N516-M520 PolarHBondContact O-N 2.89Å; N516-Q624 PolarHBondContact OD1-OE1 2.98Å; N516-F625 PolarHBondContact OD1-N 2.96Å; N516-G626 VanDerWaalsContact O-CA 3.29Å; N516-G626 WeakPolarHBondContact O-CA 3.23Å; N516-G626 PolarHBondContact OD1-N 3.37Å; N516-G626 VanDerWaalsContact OD1-N 3.08Å; N516-I681 HydrophobicContact CB-CD1 3.68Å
517	R	88.6	Confident	88	Confident	103 Å²	103	30.6 Å²	30.6	39%	0.389	15%	0.151	S	C	.	.	H	α-helix	trans	-65.4	-43.7	177.6	-178.1	178.3	176.1	-176.4	-1.4	112.1	S513 G514 E515 T519 M520 H521	S513-R517 VanDerWaalsContact O-CB 3.28Å; S513-R517 WeakPolarHBondContact O-CB 3.43Å; S513-R517 PolarHBondContact O-N 2.75Å; G514-R517 PolarHBondContact O-N 3.41Å; E515-R517 VanDerWaalsContact C-N 3.34Å; E515-R517 PolarHBondContact O-N 3.2Å; R517-T519 VanDerWaalsContact C-N 3.35Å; R517-M520 PolarHBondContact O-N 3.48Å; R517-H521 PolarHBondContact O-CD2 3.31Å; R517-H521 VanDerWaalsContact O-CD2 3.24Å; R517-H521 PolarHBondContact O-N 3.39Å; R517-H521 VanDerWaalsContact O-N 3.11Å
518	T	89.1	Confident	88	Confident	35 Å²	35	31.2 Å²	31.2	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-42.1	178	-56.9	0	0	0	0	110.6	H509 G514 E515 M520 H521 K522	H509-T518 PolarHBondContact CE1-OG1 3.41Å; G514-T518 WeakPolarHBondContact O-CB 3.29Å; G514-T518 PolarHBondContact O-N 3.26Å; G514-T518 PolarHBondContact O-OG1 3.04Å; E515-T518 PolarHBondContact O-N 2.8Å; T518-M520 PolarHBondContact O-N 3.18Å; T518-H521 PolarHBondContact O-N 3.37Å; T518-K522 HydrophobicContact CG2-CD 3.86Å; T518-K522 HydrophobicContact CG2-CG 4.36Å; T518-K522 WeakPolarHBondContact O-CB 3.22Å; T518-K522 WeakPolarHBondContact O-CG 3.31Å; T518-K522 PolarHBondContact O-N 2.99Å
519	T	89.3	Confident	87.6	Confident	2 Å²	2	34 Å²	34	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-47.3	174.2	-57	0	0	0	0	111.1	Y501 A504 E515 N516 R517 H521 K522 C523	Y501-T519 HydrophobicContact CD2-CG2 4.06Å; A504-T519 HydrophobicContact CB-CG2 4.37Å; A504-T519 WeakPolarHBondContact CB-OG1 3.29Å; E515-T519 WeakPolarHBondContact O-CB 3.4Å; E515-T519 PolarHBondContact O-N 3.46Å; E515-T519 PolarHBondContact O-OG1 3.45Å; N516-T519 PolarHBondContact O-N 3.33Å; R517-T519 VanDerWaalsContact C-N 3.35Å; T519-H521 PolarHBondContact O-N 3.49Å; T519-K522 PolarHBondContact O-N 3.07Å; T519-C523 WeakPolarHBondContact O-CB 3.34Å; T519-C523 PolarHBondContact O-N 2.82Å
520	M	90.9	Very high	87	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-50.5	177.3	-174	-178.3	67.8	0	0	112	N516 R517 T518 Y524 G626 Y629 M633 I681 A685	N516-M520 WeakPolarHBondContact O-CB 3.45Å; N516-M520 PolarHBondContact O-N 2.89Å; R517-M520 PolarHBondContact O-N 3.48Å; T518-M520 PolarHBondContact O-N 3.18Å; M520-Y524 WeakPolarHBondContact O-CB 3.37Å; M520-Y524 PolarHBondContact O-N 3.04Å; M520-G626 WeakPolarHBondContact CA-O 3.45Å; M520-Y629 HydrophobicContact SD-CD2 4.21Å; M520-Y629 HydrophobicContact SD-CG 4.14Å; M520-M633 HydrophobicContact CG-CE 3.87Å; M520-M633 HydrophobicContact SD-CE 4.08Å; M520-I681 HydrophobicContact CE-CG1 4.4Å; M520-I681 HydrophobicContact SD-CG1 4.23Å; M520-A685 HydrophobicContact SD-CB 3.87Å
521	H	89.2	Confident	86.4	Confident	60 Å²	60	32 Å²	32	28%	0.278	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-43.9	-178.3	-71	-48.1	0	0	0	112.8	R517 T518 T519 T525 Q688	R517-H521 PolarHBondContact O-CD2 3.31Å; R517-H521 VanDerWaalsContact O-CD2 3.24Å; R517-H521 PolarHBondContact O-N 3.39Å; R517-H521 VanDerWaalsContact O-N 3.11Å; T518-H521 PolarHBondContact O-N 3.37Å; T519-H521 PolarHBondContact O-N 3.49Å; H521-T525 WeakPolarHBondContact O-CB 3.41Å; H521-T525 PolarHBondContact O-N 3.39Å; H521-T525 VanDerWaalsContact O-N 3.11Å; H521-T525 PolarHBondContact O-OG1 3.49Å; H521-Q688 PolarHBondContact ND1-NE2 3.41Å
522	K	88.6	Confident	85.9	Confident	34 Å²	34	30.3 Å²	30.3	15%	0.148	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-52.8	178.6	-73	-179.1	178.3	174.6	0	111.1	N443 V500 E507 T518 T519 Y524 T525 F526	N443-K522 PolarHBondContact ND2-NZ 3.09Å; N443-K522 WeakPolarHBondContact OD1-CE 3.45Å; N443-K522 PolarHBondContact OD1-NZ 2.82Å; V500-K522 HydrophobicContact CG1-CB 4.43Å; E507-K522 IonicContact OE1-NZ 3.76Å; E507-K522 PolarHBondContact OE1-NZ 2.88Å; E507-K522 IonicContact OE2-NZ 3.16Å; E507-K522 PolarHBondContact OE2-NZ 3.45Å; T518-K522 HydrophobicContact CG2-CD 3.86Å; T518-K522 HydrophobicContact CG2-CG 4.36Å; T518-K522 WeakPolarHBondContact O-CB 3.22Å; T518-K522 WeakPolarHBondContact O-CG 3.31Å; T518-K522 PolarHBondContact O-N 2.99Å; T519-K522 PolarHBondContact O-N 3.07Å; K522-Y524 VanDerWaalsContact C-N 3.34Å; K522-Y524 PolarHBondContact O-N 2.91Å; K522-T525 PolarHBondContact O-N 2.96Å; K522-F526 HydrophobicContact CB-CD2 4.27Å; K522-F526 HydrophobicContact CB-CE2 4.32Å; K522-F526 WeakPolarHBondContact O-CB 3.48Å; K522-F526 WeakPolarHBondContact O-CD2 3.32Å; K522-F526 PolarHBondContact O-N 2.97Å
523	C	87.7	Confident	85.5	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-46	-179.1	-170.7	0	0	0	0	111.2	V500 T519 T525 L527 A630	V500-C523 HydrophobicContact CG1-CB 4.16Å; T519-C523 WeakPolarHBondContact O-CB 3.34Å; T519-C523 PolarHBondContact O-N 2.82Å; C523-T525 PolarHBondContact O-N 3.48Å; C523-L527 WeakPolarHBondContact O-CB 3.43Å; C523-L527 WeakPolarHBondContact O-CG 3.27Å; C523-L527 PolarHBondContact O-N 2.96Å; C523-L527 VanDerWaalsContact SG-CD1 3.5Å; C523-A630 HydrophobicContact CB-CB 3.58Å
524	Y	89.9	Confident	84.8	Confident	12 Å²	12	30.1 Å²	30.1	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-47.7	177.1	-179.9	-108.9	0	0	0	112.9	M520 K522 L527 I528 M633 T637 Q688	M520-Y524 WeakPolarHBondContact O-CB 3.37Å; M520-Y524 PolarHBondContact O-N 3.04Å; K522-Y524 VanDerWaalsContact C-N 3.34Å; K522-Y524 PolarHBondContact O-N 2.91Å; Y524-L527 PolarHBondContact O-N 3.48Å; Y524-I528 HydrophobicContact CD1-CD1 4.06Å; Y524-I528 HydrophobicContact CD2-CD1 4.01Å; Y524-I528 HydrophobicContact CD2-CG1 4.46Å; Y524-I528 HydrophobicContact CE1-CD1 3.49Å; Y524-I528 VanDerWaalsContact CE1-CD1 3.49Å; Y524-I528 HydrophobicContact CE2-CD1 3.4Å; Y524-I528 HydrophobicContact CE2-CG1 4.16Å; Y524-I528 HydrophobicContact CG-CD1 4.32Å; Y524-I528 WeakPolarHBondContact O-CB 3.37Å; Y524-I528 WeakPolarHBondContact O-CG1 3.3Å; Y524-I528 PolarHBondContact O-N 3.34Å; Y524-I528 VanDerWaalsContact OH-CD1 3.31Å; Y524-I528 WeakPolarHBondContact OH-CD1 3.41Å; Y524-M633 HydrophobicContact CD2-CB 3.84Å; Y524-M633 HydrophobicContact CD2-CE 4.31Å; Y524-M633 HydrophobicContact CE2-CB 3.66Å; Y524-T637 PolarHBondContact OH-OG1 3.3Å; Y524-Q688 HydrophobicContact CD1-CB 4.36Å; Y524-Q688 HydrophobicContact CD1-CG 4.32Å; Y524-Q688 HydrophobicContact CE1-CB 4.07Å; Y524-Q688 HydrophobicContact CE1-CG 4.37Å; Y524-Q688 PolarHBondContact OH-O 3.38Å
525	T	87.9	Confident	83.9	Confident	87 Å²	87	31.4 Å²	31.4	53%	0.534	16%	0.158	S	C	.	.	H	α-helix	trans	-63.8	-45.2	-178.5	-53.6	0	0	0	0	111.3	H521 K522 C523 F529	H521-T525 WeakPolarHBondContact O-CB 3.41Å; H521-T525 PolarHBondContact O-N 3.39Å; H521-T525 VanDerWaalsContact O-N 3.11Å; H521-T525 PolarHBondContact O-OG1 3.49Å; K522-T525 PolarHBondContact O-N 2.96Å; C523-T525 PolarHBondContact O-N 3.48Å; T525-F529 WeakPolarHBondContact O-CB 3.2Å; T525-F529 PolarHBondContact O-N 2.84Å
526	F	83.8	Confident	83.1	Confident	43 Å²	43	31.2 Å²	31.2	19%	0.189	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-43	178.4	-74.5	-62.4	0	0	0	112.2	L446 L450 V500 K522 I528 F529 M530	L446-F526 HydrophobicContact CD2-CD2 4.23Å; L446-F526 HydrophobicContact CD2-CE2 3.56Å; L446-F526 HydrophobicContact CD2-CZ 3.91Å; L446-F526 HydrophobicContact CG-CE2 4.5Å; L446-F526 HydrophobicContact CG-CZ 4.48Å; L450-F526 HydrophobicContact CD1-CB 4.3Å; L450-F526 HydrophobicContact CD1-CD1 3.42Å; L450-F526 VanDerWaalsContact CD1-CD1 3.42Å; L450-F526 HydrophobicContact CD1-CD2 4.24Å; L450-F526 HydrophobicContact CD1-CE1 3.68Å; L450-F526 HydrophobicContact CD1-CE2 4.48Å; L450-F526 HydrophobicContact CD1-CG 3.74Å; L450-F526 HydrophobicContact CD1-CZ 4.21Å; V500-F526 HydrophobicContact CG1-CD2 3.98Å; V500-F526 HydrophobicContact CG2-CB 4.31Å; V500-F526 HydrophobicContact CG2-CD2 4.41Å; K522-F526 HydrophobicContact CB-CD2 4.27Å; K522-F526 HydrophobicContact CB-CE2 4.32Å; K522-F526 WeakPolarHBondContact O-CB 3.48Å; K522-F526 WeakPolarHBondContact O-CD2 3.32Å; K522-F526 PolarHBondContact O-N 2.97Å; F526-I528 PolarHBondContact O-N 3.46Å; F526-F529 PolarHBondContact O-N 2.85Å; F526-M530 WeakPolarHBondContact O-CB 3.31Å; F526-M530 VanDerWaalsContact O-CG 3.29Å; F526-M530 WeakPolarHBondContact O-CG 3.32Å; F526-M530 PolarHBondContact O-N 3.48Å
527	L	83.5	Confident	82	Confident	14 Å²	14	33 Å²	33	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-42.4	177.4	-74.2	176.6	0	0	0	111.4	P497 C523 Y524 M530 V531 W631 C634	P497-L527 HydrophobicContact CB-CD2 4.33Å; P497-L527 HydrophobicContact CG-CD2 4.11Å; C523-L527 WeakPolarHBondContact O-CB 3.43Å; C523-L527 WeakPolarHBondContact O-CG 3.27Å; C523-L527 PolarHBondContact O-N 2.96Å; C523-L527 VanDerWaalsContact SG-CD1 3.5Å; Y524-L527 PolarHBondContact O-N 3.48Å; L527-M530 PolarHBondContact O-N 2.82Å; L527-V531 HydrophobicContact CD2-CG2 4.49Å; L527-V531 WeakPolarHBondContact O-CA 3.4Å; L527-V531 WeakPolarHBondContact O-CB 3.37Å; L527-V531 WeakPolarHBondContact O-CG2 3.46Å; L527-V531 PolarHBondContact O-N 3.22Å; L527-W631 HydrophobicContact CD1-CD2 3.78Å; L527-W631 HydrophobicContact CD1-CE3 3.99Å; L527-W631 HydrophobicContact CD1-CG 4.13Å; L527-W631 HydrophobicContact CD2-CH2 4.32Å; L527-W631 HydrophobicContact CD2-CZ3 4.33Å; L527-C634 HydrophobicContact CB-CB 4.17Å; L527-C634 HydrophobicContact CD1-CB 4.27Å
528	I	85.6	Confident	80.5	Confident	13 Å²	13	29.8 Å²	29.8	7%	0.067	17%	0.165	C	C	.	.	I	π-helix	trans	-62.2	-46.7	174.7	-77.1	179.4	0	0	0	111.2	Y524 F526 M530 L532 L533 T637 L695	Y524-I528 HydrophobicContact CD1-CD1 4.06Å; Y524-I528 HydrophobicContact CD2-CD1 4.01Å; Y524-I528 HydrophobicContact CD2-CG1 4.46Å; Y524-I528 HydrophobicContact CE1-CD1 3.49Å; Y524-I528 VanDerWaalsContact CE1-CD1 3.49Å; Y524-I528 HydrophobicContact CE2-CD1 3.4Å; Y524-I528 HydrophobicContact CE2-CG1 4.16Å; Y524-I528 HydrophobicContact CG-CD1 4.32Å; Y524-I528 WeakPolarHBondContact O-CB 3.37Å; Y524-I528 WeakPolarHBondContact O-CG1 3.3Å; Y524-I528 PolarHBondContact O-N 3.34Å; Y524-I528 VanDerWaalsContact OH-CD1 3.31Å; Y524-I528 WeakPolarHBondContact OH-CD1 3.41Å; F526-I528 PolarHBondContact O-N 3.46Å; I528-M530 VanDerWaalsContact C-N 3.28Å; I528-M530 PolarHBondContact O-N 3.47Å; I528-L532 HydrophobicContact CG2-CB 4.45Å; I528-L532 HydrophobicContact CG2-CD2 4.3Å; I528-L532 WeakPolarHBondContact O-CA 3.35Å; I528-L532 VanDerWaalsContact O-CB 3.23Å; I528-L532 WeakPolarHBondContact O-CB 3.29Å; I528-L532 PolarHBondContact O-N 2.93Å; I528-L533 HydrophobicContact CG2-CD1 4.26Å; I528-L533 HydrophobicContact CG2-CG 4.25Å; I528-L533 PolarHBondContact O-N 3.04Å; I528-T637 HydrophobicContact CD1-CG2 3.89Å; I528-T637 HydrophobicContact CG1-CG2 4.38Å; I528-L695 HydrophobicContact CD1-CD1 4.02Å; I528-L695 HydrophobicContact CG2-CD1 4.24Å
529	F	80.3	Confident	78.9	Confident	67 Å²	67	28.8 Å²	28.8	29%	0.294	16%	0.158	S	C	.	.	I	π-helix	trans	-60.5	-41.7	-179.1	-175.7	-101.6	0	0	0	111.6	T525 F526 L533 L534	T525-F529 WeakPolarHBondContact O-CB 3.2Å; T525-F529 PolarHBondContact O-N 2.84Å; F526-F529 PolarHBondContact O-N 2.85Å; F529-L533 HydrophobicContact CD2-CB 4.34Å; F529-L533 HydrophobicContact CD2-CD1 3.99Å; F529-L533 PolarHBondContact O-N 3.33Å; F529-L534 HydrophobicContact CD1-CD1 4.26Å; F529-L534 HydrophobicContact CD1-CG 4.18Å; F529-L534 HydrophobicContact CE1-CD1 3.81Å; F529-L534 HydrophobicContact CE1-CD2 3.9Å; F529-L534 HydrophobicContact CE1-CG 3.8Å; F529-L534 HydrophobicContact CE2-CD2 4.31Å; F529-L534 HydrophobicContact CZ-CD1 4.44Å; F529-L534 HydrophobicContact CZ-CD2 3.68Å; F529-L534 HydrophobicContact CZ-CG 4.04Å; F529-L534 PolarHBondContact O-N 3.5Å
530	M	75.8	Confident	77.1	Confident	31 Å²	31	32.2 Å²	32.2	15%	0.153	18%	0.182	C	C	.	.	I	π-helix	trans	-84.4	-39.7	-175.7	-63.1	-48.9	-179.8	0	0	114.9	L450 T454 F526 L527 I528 L534 P535	L450-M530 HydrophobicContact CB-CE 4.02Å; T454-M530 HydrophobicContact CG2-CB 4.41Å; T454-M530 HydrophobicContact CG2-CE 3.44Å; T454-M530 VanDerWaalsContact CG2-CE 3.44Å; T454-M530 HydrophobicContact CG2-CG 3.73Å; T454-M530 HydrophobicContact CG2-SD 3.12Å; T454-M530 WeakPolarHBondContact CG2-SD 3.04Å; F526-M530 WeakPolarHBondContact O-CB 3.31Å; F526-M530 VanDerWaalsContact O-CG 3.29Å; F526-M530 WeakPolarHBondContact O-CG 3.32Å; F526-M530 PolarHBondContact O-N 3.48Å; L527-M530 PolarHBondContact O-N 2.82Å; I528-M530 VanDerWaalsContact C-N 3.28Å; I528-M530 PolarHBondContact O-N 3.47Å; M530-L534 HydrophobicContact CE-CD1 4.29Å; M530-L534 HydrophobicContact SD-CD1 3.35Å; M530-L534 WeakPolarHBondContact SD-CD1 3.39Å; M530-L534 HydrophobicContact SD-CG 4.27Å; M530-P535 WeakPolarHBondContact O-CD 3.19Å; M530-P535 VanDerWaalsContact O-CG 3.31Å; M530-P535 WeakPolarHBondContact O-CG 3.16Å
531	V	76.9	Confident	75.3	Confident	27 Å²	27	33.3 Å²	33.3	16%	0.164	19%	0.19	C	C	.	.	I	π-helix	trans	-84.8	-42.5	-177.5	177.3	0	0	0	0	110.4	L527 P535 F574 Y577 V638	L527-V531 HydrophobicContact CD2-CG2 4.49Å; L527-V531 WeakPolarHBondContact O-CA 3.4Å; L527-V531 WeakPolarHBondContact O-CB 3.37Å; L527-V531 WeakPolarHBondContact O-CG2 3.46Å; L527-V531 PolarHBondContact O-N 3.22Å; V531-P535 WeakPolarHBondContact O-CG 2.95Å; V531-F574 WeakPolarHBondContact O-CE1 3.37Å; V531-F574 WeakPolarHBondContact O-CZ 3.44Å; V531-Y577 HydrophobicContact CG1-CD1 4.32Å; V531-Y577 HydrophobicContact CG1-CE1 3.68Å; V531-Y577 HydrophobicContact CG1-CE2 4.1Å; V531-V638 HydrophobicContact CG1-CG2 4.19Å
532	L	78.7	Confident	73.3	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	19%	0.194	C	C	.	.	I	π-helix	trans	-96	-60.1	-174.6	-170.1	81.6	0	0	0	111.6	I528 S536 T637 V638 T641 Y642	I528-L532 HydrophobicContact CG2-CB 4.45Å; I528-L532 HydrophobicContact CG2-CD2 4.3Å; I528-L532 WeakPolarHBondContact O-CA 3.35Å; I528-L532 VanDerWaalsContact O-CB 3.23Å; I528-L532 WeakPolarHBondContact O-CB 3.29Å; I528-L532 PolarHBondContact O-N 2.93Å; L532-S536 WeakPolarHBondContact O-CB 3.42Å; L532-S536 PolarHBondContact O-N 3.35Å; L532-S536 PolarHBondContact O-OG 3.49Å; L532-T637 HydrophobicContact CD2-CG2 4.4Å; L532-V638 HydrophobicContact CD1-CB 4.45Å; L532-V638 HydrophobicContact CD1-CG2 3.99Å; L532-T641 HydrophobicContact CD1-CG2 4.24Å; L532-T641 HydrophobicContact CD2-CG2 4.38Å; L532-Y642 HydrophobicContact CD1-CD2 4.27Å; L532-Y642 HydrophobicContact CD1-CE2 3.79Å
533	L	77.9	Confident	71.4	Confident	42 Å²	42	36.2 Å²	36.2	22%	0.22	21%	0.209	C	C	.	.	I	π-helix	trans	-72.9	-52.1	-165.1	-63.5	175.9	0	0	0	113.5	I528 F529 S536 L537	I528-L533 HydrophobicContact CG2-CD1 4.26Å; I528-L533 HydrophobicContact CG2-CG 4.25Å; I528-L533 PolarHBondContact O-N 3.04Å; F529-L533 HydrophobicContact CD2-CB 4.34Å; F529-L533 HydrophobicContact CD2-CD1 3.99Å; F529-L533 PolarHBondContact O-N 3.33Å; L533-S536 PolarHBondContact O-N 3.43Å; L533-L537 WeakPolarHBondContact O-CB 3.17Å; L533-L537 VanDerWaalsContact O-CG 3.28Å; L533-L537 WeakPolarHBondContact O-CG 3.31Å; L533-L537 PolarHBondContact O-N 3.45Å
534	L	71.8	Confident	70	Confident	26 Å²	26	38.1 Å²	38.1	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-49.4	-177.2	-70.3	-175.1	0	0	0	113.5	F529 M530 S536 L537 G538 L539	F529-L534 HydrophobicContact CD1-CD1 4.26Å; F529-L534 HydrophobicContact CD1-CG 4.18Å; F529-L534 HydrophobicContact CE1-CD1 3.81Å; F529-L534 HydrophobicContact CE1-CD2 3.9Å; F529-L534 HydrophobicContact CE1-CG 3.8Å; F529-L534 HydrophobicContact CE2-CD2 4.31Å; F529-L534 HydrophobicContact CZ-CD1 4.44Å; F529-L534 HydrophobicContact CZ-CD2 3.68Å; F529-L534 HydrophobicContact CZ-CG 4.04Å; F529-L534 PolarHBondContact O-N 3.5Å; M530-L534 HydrophobicContact CE-CD1 4.29Å; M530-L534 HydrophobicContact SD-CD1 3.35Å; M530-L534 WeakPolarHBondContact SD-CD1 3.39Å; M530-L534 HydrophobicContact SD-CG 4.27Å; L534-S536 VanDerWaalsContact C-N 3.29Å; L534-S536 PolarHBondContact O-N 3.21Å; L534-L537 PolarHBondContact O-N 3.32Å; L534-G538 PolarHBondContact O-N 3.14Å; L534-L539 PolarHBondContact O-N 3.27Å
535	P	69.1	Low	68.5	Low	47 Å²	47	40.1 Å²	40.1	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-37.4	-179.9	-22.4	36.8	0	0	0	111.4	M530 V531 L537 G538 F573 F574	M530-P535 WeakPolarHBondContact O-CD 3.19Å; M530-P535 VanDerWaalsContact O-CG 3.31Å; M530-P535 WeakPolarHBondContact O-CG 3.16Å; V531-P535 WeakPolarHBondContact O-CG 2.95Å; P535-L537 VanDerWaalsContact C-N 3.34Å; P535-L537 PolarHBondContact O-N 3.37Å; P535-G538 PolarHBondContact O-N 2.84Å; P535-F573 HydrophobicContact CB-CE1 4.44Å; P535-F574 HydrophobicContact CB-CZ 4.38Å
536	S	71.2	Confident	67.2	Low	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-73.6	-23.4	-179	-52.3	0	0	0	0	113.7	L532 L533 L534 V565 F574 Y642	L532-S536 WeakPolarHBondContact O-CB 3.42Å; L532-S536 PolarHBondContact O-N 3.35Å; L532-S536 PolarHBondContact O-OG 3.49Å; L533-S536 PolarHBondContact O-N 3.43Å; L534-S536 VanDerWaalsContact C-N 3.29Å; L534-S536 PolarHBondContact O-N 3.21Å; S536-V565 WeakPolarHBondContact O-CG1 3.49Å; S536-F574 VanDerWaalsContact OG-CE2 3.27Å; S536-F574 WeakPolarHBondContact OG-CE2 3.3Å; S536-F574 VanDerWaalsContact OG-CZ 3.24Å; S536-F574 WeakPolarHBondContact OG-CZ 3.33Å; S536-Y642 PolarHBondContact OG-OH 2.94Å
537	L	67.1	Low	66.3	Low	44 Å²	44	44.4 Å²	44.4	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-87.4	-9.5	172.2	-66.9	172	0	0	0	112.7	L533 L534 P535 L539 W699 F702	L533-L537 WeakPolarHBondContact O-CB 3.17Å; L533-L537 VanDerWaalsContact O-CG 3.28Å; L533-L537 WeakPolarHBondContact O-CG 3.31Å; L533-L537 PolarHBondContact O-N 3.45Å; L534-L537 PolarHBondContact O-N 3.32Å; P535-L537 VanDerWaalsContact C-N 3.34Å; P535-L537 PolarHBondContact O-N 3.37Å; L537-L539 HydrophobicContact CB-CB 4.29Å; L537-L539 HydrophobicContact CB-CD1 3.77Å; L537-L539 HydrophobicContact CB-CG 3.77Å; L537-L539 HydrophobicContact CD1-CD1 3.9Å; L537-L539 HydrophobicContact CG-CD1 4.43Å; L537-L539 PolarHBondContact O-N 3.41Å; L537-W699 HydrophobicContact CD2-CH2 4.47Å; L537-F702 HydrophobicContact CD2-CE1 3.97Å; L537-F702 HydrophobicContact CD2-CZ 4.3Å
538	G	55.7	Low	65.2	Low	35 Å²	35	47.6 Å²	47.6	36%	0.361	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	13.9	-173	0	0	0	0	0	113.7	L534 P535 S540	L534-G538 PolarHBondContact O-N 3.14Å; P535-G538 PolarHBondContact O-N 2.84Å; G538-S540 VanDerWaalsContact C-N 3.35Å; G538-S540 PolarHBondContact O-N 2.92Å
539	L	55.2	Low	64.2	Low	15 Å²	15	51.1 Å²	51.1	8%	0.079	27%	0.267	C	S	.	.			trans	-85.2	80.3	-177.5	-65.4	174.3	0	0	0	109	L534 L537 V544 F545	L534-L539 PolarHBondContact O-N 3.27Å; L537-L539 HydrophobicContact CB-CB 4.29Å; L537-L539 HydrophobicContact CB-CD1 3.77Å; L537-L539 HydrophobicContact CB-CG 3.77Å; L537-L539 HydrophobicContact CD1-CD1 3.9Å; L537-L539 HydrophobicContact CG-CD1 4.43Å; L537-L539 PolarHBondContact O-N 3.41Å; L539-V544 HydrophobicContact CD2-CG1 3.77Å; L539-F545 HydrophobicContact CD1-CD2 4.19Å
540	S	51.5	Low	63.6	Low	73 Å²	73	55 Å²	55	51%	0.51	28%	0.284	S	S	.	.			trans	-95.5	30.7	176.3	68.4	0	0	0	0	112.1	T455 G538	T455-S540 WeakPolarHBondContact CG2-O 3.16Å; G538-S540 VanDerWaalsContact C-N 3.35Å; G538-S540 PolarHBondContact O-N 2.92Å
541	S	55.1	Low	63.2	Low	24 Å²	24	56.3 Å²	56.3	17%	0.168	29%	0.291	C	S	.	.			trans	-160.7	153.4	166.3	74.4	0	0	0	0	117.9	V544 F545	S541-V544 PolarHBondContact O-N 3.27Å; S541-V544 WeakPolarHBondContact OG-CB 3.48Å; S541-V544 WeakPolarHBondContact OG-CG2 3.49Å; S541-V544 PolarHBondContact OG-N 3.22Å; S541-V544 VanDerWaalsContact OG-N 3.1Å; S541-F545 WeakPolarHBondContact O-CB 3.09Å; S541-F545 PolarHBondContact O-N 3.01Å
542	L	46.5	Very low	62.5	Low	70 Å²	70	63.5 Å²	63.5	37%	0.366	32%	0.321	S	S	.	.	H	α-helix	trans	-55.8	-51	172.7	-160.6	151.7	0	0	0	111	F451 V544 F545 F546	F451-L542 HydrophobicContact CD1-CD1 4.09Å; F451-L542 HydrophobicContact CE1-CB 3.56Å; F451-L542 HydrophobicContact CE1-CD1 3.46Å; F451-L542 VanDerWaalsContact CE1-CD1 3.46Å; F451-L542 HydrophobicContact CE1-CG 3.49Å; F451-L542 VanDerWaalsContact CE1-CG 3.49Å; F451-L542 HydrophobicContact CZ-CB 4.05Å; F451-L542 HydrophobicContact CZ-CD1 4.26Å; F451-L542 HydrophobicContact CZ-CG 3.89Å; L542-V544 VanDerWaalsContact C-N 3.33Å; L542-V544 PolarHBondContact O-N 2.74Å; L542-F545 PolarHBondContact O-N 2.94Å; L542-F546 HydrophobicContact CD1-CE2 4.49Å; L542-F546 HydrophobicContact CD2-CD2 3.3Å; L542-F546 HydrophobicContact CD2-CE2 3.63Å; L542-F546 HydrophobicContact CD2-CG 4.22Å; L542-F546 HydrophobicContact CG-CD2 3.77Å; L542-F546 HydrophobicContact CG-CE2 3.85Å; L542-F546 WeakPolarHBondContact O-CD2 3.39Å; L542-F546 PolarHBondContact O-N 2.53Å
543	D	49.2	Very low	61.7	Low	85 Å²	85	67 Å²	67	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-43.4	-177.7	-177.7	66.3	0	0	0	111.1	R547	D543-R547 WeakPolarHBondContact O-CB 3.44Å; D543-R547 WeakPolarHBondContact O-CD 3.4Å; D543-R547 WeakPolarHBondContact O-CG 3.49Å; D543-R547 PolarHBondContact O-N 3.26Å; D543-R547 IonicContact OD1-NE 2.72Å; D543-R547 IonicContact OD1-NH1 3.61Å; D543-R547 WeakPolarHBondContact OD2-CD 3.25Å; D543-R547 IonicContact OD2-CZ 3.34Å; D543-R547 IonicContact OD2-NE 3.87Å; D543-R547 IonicContact OD2-NH1 3.13Å; D543-R547 PolarHBondContact OD2-NH1 3.38Å
544	V	57.8	Low	60.7	Low	42 Å²	42	66.4 Å²	66.4	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-71.4	-36.4	177.7	176.9	0	0	0	0	111.7	L539 S541 L542 W548 F554	L539-V544 HydrophobicContact CD2-CG1 3.77Å; S541-V544 PolarHBondContact O-N 3.27Å; S541-V544 WeakPolarHBondContact OG-CB 3.48Å; S541-V544 WeakPolarHBondContact OG-CG2 3.49Å; S541-V544 PolarHBondContact OG-N 3.22Å; S541-V544 VanDerWaalsContact OG-N 3.1Å; L542-V544 VanDerWaalsContact C-N 3.33Å; L542-V544 PolarHBondContact O-N 2.74Å; V544-W548 WeakPolarHBondContact O-CB 3.48Å; V544-W548 PolarHBondContact O-N 3.11Å; V544-F554 HydrophobicContact CG1-CZ 3.86Å
545	F	58.5	Low	60	Low	55 Å²	55	69 Å²	69	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-65.9	-46.1	175.3	176.4	-97.1	0	0	0	112.4	L539 S541 L542 W548 L549	L539-F545 HydrophobicContact CD1-CD2 4.19Å; S541-F545 WeakPolarHBondContact O-CB 3.09Å; S541-F545 PolarHBondContact O-N 3.01Å; L542-F545 PolarHBondContact O-N 2.94Å; F545-W548 HydrophobicContact CD2-CE3 4.15Å; F545-W548 HydrophobicContact CD2-CZ3 4.39Å; F545-W548 HydrophobicContact CE2-CE3 4.11Å; F545-W548 AromaticContact CE2-CZ3 3.91Å; F545-W548 HydrophobicContact CE2-CZ3 3.91Å; F545-W548 PolarHBondContact O-N 2.85Å; F545-L549 HydrophobicContact CE1-CD2 4.24Å; F545-L549 HydrophobicContact CZ-CD2 4.41Å; F545-L549 WeakPolarHBondContact O-CB 3.44Å; F545-L549 PolarHBondContact O-N 2.75Å
546	F	60.9	Low	59.5	Low	94 Å²	94	72.9 Å²	72.9	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-71.2	-36.9	178.7	-85.6	-88.7	0	0	0	112	L542 L549 F550	L542-F546 HydrophobicContact CD1-CE2 4.49Å; L542-F546 HydrophobicContact CD2-CD2 3.3Å; L542-F546 HydrophobicContact CD2-CE2 3.63Å; L542-F546 HydrophobicContact CD2-CG 4.22Å; L542-F546 HydrophobicContact CG-CD2 3.77Å; L542-F546 HydrophobicContact CG-CE2 3.85Å; L542-F546 WeakPolarHBondContact O-CD2 3.39Å; L542-F546 PolarHBondContact O-N 2.53Å; F546-L549 PolarHBondContact O-N 2.84Å; F546-F550 HydrophobicContact CB-CD2 4.46Å; F546-F550 AromaticContact CD1-CD2 3.67Å; F546-F550 HydrophobicContact CD1-CD2 3.67Å; F546-F550 AromaticContact CD1-CE2 3.44Å; F546-F550 HydrophobicContact CD1-CE2 3.44Å; F546-F550 VanDerWaalsContact CD1-CE2 3.44Å; F546-F550 HydrophobicContact CE1-CD2 4.44Å; F546-F550 AromaticContact CE1-CE2 3.77Å; F546-F550 HydrophobicContact CE1-CE2 3.77Å; F546-F550 WeakPolarHBondContact O-CB 3.22Å; F546-F550 WeakPolarHBondContact O-CD2 3.43Å; F546-F550 PolarHBondContact O-N 3.23Å
547	R	64.4	Low	58.6	Low	126 Å²	126	79.7 Å²	79.7	48%	0.475	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-42.8	170.1	-75.9	170.2	141.7	167.5	-9	111.5	D543 L549 D551 F554	D543-R547 WeakPolarHBondContact O-CB 3.44Å; D543-R547 WeakPolarHBondContact O-CD 3.4Å; D543-R547 WeakPolarHBondContact O-CG 3.49Å; D543-R547 PolarHBondContact O-N 3.26Å; D543-R547 IonicContact OD1-NE 2.72Å; D543-R547 IonicContact OD1-NH1 3.61Å; D543-R547 WeakPolarHBondContact OD2-CD 3.25Å; D543-R547 IonicContact OD2-CZ 3.34Å; D543-R547 IonicContact OD2-NE 3.87Å; D543-R547 IonicContact OD2-NH1 3.13Å; D543-R547 PolarHBondContact OD2-NH1 3.38Å; R547-L549 VanDerWaalsContact C-N 3.34Å; R547-L549 PolarHBondContact O-N 3.48Å; R547-D551 HydrophobicContact CB-CB 4.37Å; R547-D551 VanDerWaalsContact O-CA 3.32Å; R547-D551 WeakPolarHBondContact O-CA 3.41Å; R547-D551 WeakPolarHBondContact O-CB 3.12Å; R547-D551 PolarHBondContact O-N 3.2Å; R547-F554 HydrophobicContact CB-CD2 4.38Å; R547-F554 HydrophobicContact CB-CG 4.49Å
548	W	61	Low	57.9	Low	80 Å²	80	77.8 Å²	77.8	30%	0.303	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-41.9	173.1	170.2	75.8	0	0	0	113	V544 F545 F554 F562	V544-W548 WeakPolarHBondContact O-CB 3.48Å; V544-W548 PolarHBondContact O-N 3.11Å; F545-W548 HydrophobicContact CD2-CE3 4.15Å; F545-W548 HydrophobicContact CD2-CZ3 4.39Å; F545-W548 HydrophobicContact CE2-CE3 4.11Å; F545-W548 AromaticContact CE2-CZ3 3.91Å; F545-W548 HydrophobicContact CE2-CZ3 3.91Å; F545-W548 PolarHBondContact O-N 2.85Å; W548-F554 HydrophobicContact CB-CD1 4.01Å; W548-F554 HydrophobicContact CB-CE1 3.85Å; W548-F554 HydrophobicContact CG-CE1 4.5Å; W548-F562 AromaticContact CD1-CZ 3.56Å; W548-F562 AromaticContact NE1-CZ 3.48Å
549	L	63.5	Low	57.7	Low	87 Å²	87	80.3 Å²	80.3	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-76.6	-31.7	-176.4	-167.9	68.1	0	0	0	113.2	F545 F546 R547	F545-L549 HydrophobicContact CE1-CD2 4.24Å; F545-L549 HydrophobicContact CZ-CD2 4.41Å; F545-L549 WeakPolarHBondContact O-CB 3.44Å; F545-L549 PolarHBondContact O-N 2.75Å; F546-L549 PolarHBondContact O-N 2.84Å; R547-L549 VanDerWaalsContact C-N 3.34Å; R547-L549 PolarHBondContact O-N 3.48Å
550	F	67.2	Low	57.4	Low	148 Å²	148	82.5 Å²	82.5	65%	0.649	42%	0.417	S	S	*	.	H	α-helix	trans	-121.4	-15.6	-169.6	-64.7	-71.3	0	0	0	115.5	F546	F546-F550 HydrophobicContact CB-CD2 4.46Å; F546-F550 AromaticContact CD1-CD2 3.67Å; F546-F550 HydrophobicContact CD1-CD2 3.67Å; F546-F550 AromaticContact CD1-CE2 3.44Å; F546-F550 HydrophobicContact CD1-CE2 3.44Å; F546-F550 VanDerWaalsContact CD1-CE2 3.44Å; F546-F550 HydrophobicContact CE1-CD2 4.44Å; F546-F550 AromaticContact CE1-CE2 3.77Å; F546-F550 HydrophobicContact CE1-CE2 3.77Å; F546-F550 WeakPolarHBondContact O-CB 3.22Å; F546-F550 WeakPolarHBondContact O-CD2 3.43Å; F546-F550 PolarHBondContact O-N 3.23Å
551	D	67.3	Low	57.5	Low	59 Å²	59	85.2 Å²	85.2	32%	0.316	42%	0.416	S	S	.	.			trans	-100.7	110.6	-178.4	-163.3	-17.6	0	0	0	111.3	R547 S553 F554	R547-D551 HydrophobicContact CB-CB 4.37Å; R547-D551 VanDerWaalsContact O-CA 3.32Å; R547-D551 WeakPolarHBondContact O-CA 3.41Å; R547-D551 WeakPolarHBondContact O-CB 3.12Å; R547-D551 PolarHBondContact O-N 3.2Å; D551-S553 VanDerWaalsContact C-N 3.28Å; D551-S553 VanDerWaalsContact CG-OG 3.27Å; D551-S553 PolarHBondContact O-N 3.37Å; D551-S553 WeakPolarHBondContact OD1-CB 3.47Å; D551-S553 PolarHBondContact OD1-N 3.49Å; D551-S553 PolarHBondContact OD1-OG 3.36Å; D551-S553 PolarHBondContact OD2-OG 2.97Å; D551-F554 HydrophobicContact CB-CB 4.02Å; D551-F554 WeakPolarHBondContact O-CB 3.48Å; D551-F554 PolarHBondContact O-N 2.95Å
552	K	62.6	Low	57.5	Low	179 Å²	179	85.6 Å²	85.6	78%	0.778	42%	0.415	S	S	*	.	H	α-helix	trans	-66.9	-28.9	178.1	-69.8	-171.1	178.5	-178.6	0	112.8	F554 L555	K552-F554 VanDerWaalsContact C-N 3.29Å; K552-F554 PolarHBondContact O-N 3.42Å; K552-L555 PolarHBondContact O-N 2.92Å
553	S	62	Low	57.7	Low	76 Å²	76	88.1 Å²	88.1	53%	0.531	43%	0.425	S	S	.	.	H	α-helix	trans	-71.6	-27.9	178.9	67.7	0	0	0	0	112.1	D551 L555	D551-S553 VanDerWaalsContact C-N 3.28Å; D551-S553 VanDerWaalsContact CG-OG 3.27Å; D551-S553 PolarHBondContact O-N 3.37Å; D551-S553 WeakPolarHBondContact OD1-CB 3.47Å; D551-S553 PolarHBondContact OD1-N 3.49Å; D551-S553 PolarHBondContact OD1-OG 3.36Å; D551-S553 PolarHBondContact OD2-OG 2.97Å; S553-L555 VanDerWaalsContact C-N 3.35Å
554	F	58.2	Low	57.8	Low	28 Å²	28	84.7 Å²	84.7	12%	0.123	41%	0.408	C	S	.	.	H	α-helix	trans	-68.2	-33	174	-170.7	-92.7	0	0	0	111.8	V544 R547 W548 D551 K552 A558	V544-F554 HydrophobicContact CG1-CZ 3.86Å; R547-F554 HydrophobicContact CB-CD2 4.38Å; R547-F554 HydrophobicContact CB-CG 4.49Å; W548-F554 HydrophobicContact CB-CD1 4.01Å; W548-F554 HydrophobicContact CB-CE1 3.85Å; W548-F554 HydrophobicContact CG-CE1 4.5Å; D551-F554 HydrophobicContact CB-CB 4.02Å; D551-F554 WeakPolarHBondContact O-CB 3.48Å; D551-F554 PolarHBondContact O-N 2.95Å; K552-F554 VanDerWaalsContact C-N 3.29Å; K552-F554 PolarHBondContact O-N 3.42Å; F554-A558 HydrophobicContact CD1-CB 3.88Å; F554-A558 HydrophobicContact CE1-CB 3.79Å; F554-A558 HydrophobicContact CZ-CB 4.49Å; F554-A558 WeakPolarHBondContact O-CA 3.37Å; F554-A558 WeakPolarHBondContact O-CB 3.26Å; F554-A558 PolarHBondContact O-N 2.87Å
555	L	57	Low	57.5	Low	80 Å²	80	83.3 Å²	83.3	42%	0.419	40%	0.399	S	S	.	.	H	α-helix	trans	-66.4	-37.7	-179	-70.1	172.1	0	0	0	112.9	K552 S553 A558 T559	K552-L555 PolarHBondContact O-N 2.92Å; S553-L555 VanDerWaalsContact C-N 3.35Å; L555-A558 PolarHBondContact O-N 3.29Å; L555-T559 WeakPolarHBondContact O-CG2 3.47Å; L555-T559 PolarHBondContact O-N 3.36Å
556	D	57.4	Low	57.1	Low	130 Å²	130	82.3 Å²	82.3	70%	0.695	40%	0.395	S	S	*	.	H	α-helix	trans	-69	-43.8	179.6	-73.1	-23.4	0	0	0	111.6	T559	D556-T559 PolarHBondContact O-OG1 2.89Å
557	E	53.4	Low	56.9	Low	144 Å²	144	78.8 Å²	78.8	67%	0.673	38%	0.38	S	S	*	.	H	α-helix	trans	-75.6	-24.5	175.1	-161	175.3	-171.1	0	0	112.4
558	A	51.7	Low	56.4	Low	3 Å²	3	73.8 Å²	73.8	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-79.2	-19.9	179.5	0	0	0	0	0	113.9	F554 L555 V560 R561 F562	F554-A558 HydrophobicContact CD1-CB 3.88Å; F554-A558 HydrophobicContact CE1-CB 3.79Å; F554-A558 HydrophobicContact CZ-CB 4.49Å; F554-A558 WeakPolarHBondContact O-CA 3.37Å; F554-A558 WeakPolarHBondContact O-CB 3.26Å; F554-A558 PolarHBondContact O-N 2.87Å; L555-A558 PolarHBondContact O-N 3.29Å; A558-V560 PolarHBondContact O-N 3.13Å; A558-R561 CarbonylContact O-C 3.53Å; A558-R561 WeakPolarHBondContact O-CA 3.27Å; A558-R561 PolarHBondContact O-N 2.79Å; A558-F562 HydrophobicContact CB-CD2 3.89Å; A558-F562 HydrophobicContact CB-CE2 3.52Å; A558-F562 HydrophobicContact CB-CZ 4.39Å; A558-F562 WeakPolarHBondContact O-CD2 3.44Å; A558-F562 PolarHBondContact O-N 3.27Å
559	T	51.5	Low	56.3	Low	88 Å²	88	73.2 Å²	73.2	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-52	-43.7	173.1	55.9	0	0	0	0	111.6	L555 D556 F562 E563	L555-T559 WeakPolarHBondContact O-CG2 3.47Å; L555-T559 PolarHBondContact O-N 3.36Å; D556-T559 PolarHBondContact O-OG1 2.89Å; T559-F562 PolarHBondContact O-N 3.37Å; T559-E563 PolarHBondContact O-N 3.32Å
560	V	49.5	Very low	56.5	Low	62 Å²	62	70.3 Å²	70.3	38%	0.376	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-33.5	176	-174.2	0	0	0	0	112.1	A558 C564	A558-V560 PolarHBondContact O-N 3.13Å; V560-C564 PolarHBondContact O-SG 3.35Å
561	R	53	Low	56.9	Low	130 Å²	130	63.6 Å²	63.6	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-72.5	-38	174.5	-90.5	-177.4	-179	155.2	4.4	113.2	A558 E563 C564 V565	A558-R561 CarbonylContact O-C 3.53Å; A558-R561 WeakPolarHBondContact O-CA 3.27Å; A558-R561 PolarHBondContact O-N 2.79Å; R561-E563 VanDerWaalsContact C-N 3.27Å; R561-E563 PolarHBondContact O-N 2.91Å; R561-C564 CarbonylContact O-C 3.56Å; R561-C564 WeakPolarHBondContact O-CA 3.29Å; R561-C564 VanDerWaalsContact O-CB 3.29Å; R561-C564 WeakPolarHBondContact O-CB 3.44Å; R561-C564 PolarHBondContact O-N 2.83Å; R561-V565 WeakPolarHBondContact O-CG2 3.38Å; R561-V565 PolarHBondContact O-N 3Å
562	F	54.7	Low	57.3	Low	32 Å²	32	61 Å²	61	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-29.2	179.5	-74.1	-60.7	0	0	0	112.3	W548 A558 T559 C564 V565 F702	W548-F562 AromaticContact CD1-CZ 3.56Å; W548-F562 AromaticContact NE1-CZ 3.48Å; A558-F562 HydrophobicContact CB-CD2 3.89Å; A558-F562 HydrophobicContact CB-CE2 3.52Å; A558-F562 HydrophobicContact CB-CZ 4.39Å; A558-F562 WeakPolarHBondContact O-CD2 3.44Å; A558-F562 PolarHBondContact O-N 3.27Å; T559-F562 PolarHBondContact O-N 3.37Å; F562-C564 PolarHBondContact O-N 3.45Å; F562-V565 HydrophobicContact CD1-CB 4.46Å; F562-V565 HydrophobicContact CD1-CG2 4.12Å; F562-V565 WeakPolarHBondContact O-CB 3.38Å; F562-V565 PolarHBondContact O-N 3.33Å; F562-F702 HydrophobicContact CD1-CZ 4.2Å
563	E	51.3	Low	58	Low	123 Å²	123	57.4 Å²	57.4	58%	0.575	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-34.4	169.6	-148.5	173.6	178	0	0	111.4	T559 R561 V706	T559-E563 PolarHBondContact O-N 3.32Å; R561-E563 VanDerWaalsContact C-N 3.27Å; R561-E563 PolarHBondContact O-N 2.91Å; E563-V706 HydrophobicContact CB-CG1 4.39Å; E563-V706 HydrophobicContact CG-CG1 4.42Å
564	C	50.8	Low	58.9	Low	13 Å²	13	53.9 Å²	53.9	9%	0.088	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-78.1	-13.9	171.8	-38.7	0	0	0	0	113.9	C26 R30 V560 R561 F562 F566 L567	C26-C564 WeakPolarHBondContact CA-SG 3.28Å; C26-C564 HydrophobicContact CB-CB 3.66Å; C26-C564 WeakPolarHBondContact CB-SG 3.4Å; C26-C564 WeakPolarHBondContact SG-CB 3.19Å; C26-C564 CovalentContact SG-SG 2.03Å; C26-C564 PolarHBondContact SG-SG 3.33Å; R30-C564 PolarHBondContact NH1-O 3.15Å; V560-C564 PolarHBondContact O-SG 3.35Å; R561-C564 CarbonylContact O-C 3.56Å; R561-C564 WeakPolarHBondContact O-CA 3.29Å; R561-C564 VanDerWaalsContact O-CB 3.29Å; R561-C564 WeakPolarHBondContact O-CB 3.44Å; R561-C564 PolarHBondContact O-N 2.83Å; F562-C564 PolarHBondContact O-N 3.45Å; C564-F566 VanDerWaalsContact C-N 3.25Å; C564-F566 PolarHBondContact O-N 2.85Å; C564-L567 HydrophobicContact CB-CD1 4.29Å; C564-L567 VanDerWaalsContact O-CD1 3.31Å; C564-L567 WeakPolarHBondContact O-CD1 3.11Å; C564-L567 PolarHBondContact O-N 3.49Å
565	V	51.7	Low	60.3	Low	13 Å²	13	52.5 Å²	52.5	8%	0.079	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-75.4	-15.1	-178.1	170	0	0	0	0	111.9	S536 R561 F562 N570	S536-V565 WeakPolarHBondContact O-CG1 3.49Å; R561-V565 WeakPolarHBondContact O-CG2 3.38Å; R561-V565 PolarHBondContact O-N 3Å; F562-V565 HydrophobicContact CD1-CB 4.46Å; F562-V565 HydrophobicContact CD1-CG2 4.12Å; F562-V565 WeakPolarHBondContact O-CB 3.38Å; F562-V565 PolarHBondContact O-N 3.33Å; V565-N570 PolarHBondContact O-ND2 3.09Å
566	F	50.8	Low	61.5	Low	33 Å²	33	49.4 Å²	49.4	15%	0.145	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-109.8	27.9	174.5	-74.6	-79.4	0	0	0	114.4	C564 W699 F702 F703	C564-F566 VanDerWaalsContact C-N 3.25Å; C564-F566 PolarHBondContact O-N 2.85Å; F566-W699 HydrophobicContact CD1-CZ2 4.41Å; F566-W699 HydrophobicContact CE1-CD2 4.33Å; F566-W699 AromaticContact CE1-CE2 3.4Å; F566-W699 HydrophobicContact CE1-CH2 4.17Å; F566-W699 AromaticContact CE1-CZ2 3.25Å; F566-W699 HydrophobicContact CE1-CZ2 3.25Å; F566-W699 AromaticContact CE1-NE1 3.48Å; F566-W699 HydrophobicContact CZ-CD2 4.38Å; F566-W699 AromaticContact CZ-CE2 3.72Å; F566-W699 AromaticContact CZ-CH2 3.8Å; F566-W699 HydrophobicContact CZ-CH2 3.8Å; F566-W699 AromaticContact CZ-CZ2 3.34Å; F566-W699 HydrophobicContact CZ-CZ2 3.34Å; F566-F702 HydrophobicContact CD2-CE1 4.45Å; F566-F702 AromaticContact CE2-CD1 3.4Å; F566-F702 HydrophobicContact CE2-CD1 3.4Å; F566-F702 VanDerWaalsContact CE2-CD1 3.4Å; F566-F702 AromaticContact CE2-CE1 3.17Å; F566-F702 HydrophobicContact CE2-CE1 3.17Å; F566-F702 HydrophobicContact CE2-CG 4.27Å; F566-F702 AromaticContact CE2-CZ 3.92Å; F566-F702 HydrophobicContact CE2-CZ 3.92Å; F566-F702 AromaticContact CZ-CD1 3.28Å; F566-F702 HydrophobicContact CZ-CD1 3.28Å; F566-F702 AromaticContact CZ-CE1 3.41Å; F566-F702 HydrophobicContact CZ-CE1 3.41Å; F566-F702 VanDerWaalsContact CZ-CE1 3.41Å; F566-F702 HydrophobicContact CZ-CG 4.3Å; F566-F703 HydrophobicContact CB-CD2 4.06Å; F566-F703 HydrophobicContact CB-CE2 4.23Å; F566-F703 AromaticContact CD1-CD2 3.93Å; F566-F703 HydrophobicContact CD1-CD2 3.93Å; F566-F703 AromaticContact CG-CD2 3.94Å; F566-F703 HydrophobicContact CG-CD2 3.94Å
567	L	55.7	Low	62.8	Low	20 Å²	20	45.5 Å²	45.5	11%	0.105	22%	0.224	C	C	.	.			trans	-52.6	131.5	168.9	-87.3	153.8	0	0	0	108.9	C26 Y27 C564 D569 N570	C26-L567 HydrophobicContact CB-CD1 4.49Å; Y27-L567 HydrophobicContact CE1-CD2 4.01Å; C564-L567 HydrophobicContact CB-CD1 4.29Å; C564-L567 VanDerWaalsContact O-CD1 3.31Å; C564-L567 WeakPolarHBondContact O-CD1 3.11Å; C564-L567 PolarHBondContact O-N 3.49Å; L567-D569 HydrophobicContact CB-CB 4.43Å; L567-D569 PolarHBondContact O-N 3.3Å; L567-N570 WeakPolarHBondContact O-CB 3.49Å; L567-N570 PolarHBondContact O-N 2.82Å
568	P	53.5	Low	64.5	Low	22 Å²	22	38.6 Å²	38.6	14%	0.143	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.3	178.3	-29	36.8	0	0	0	113.9	F195 P196 T199 N570 G571 A572	F195-P568 WeakPolarHBondContact CD1-O 3.2Å; F195-P568 WeakPolarHBondContact CE1-O 3.14Å; P196-P568 VanDerWaalsContact CA-CB 3.5Å; P196-P568 HydrophobicContact CB-CB 3.71Å; P196-P568 HydrophobicContact CB-CG 3.82Å; P196-P568 HydrophobicContact CG-CB 3.88Å; P196-P568 HydrophobicContact CG-CG 4.29Å; T199-P568 HydrophobicContact CG2-CB 4.07Å; P568-N570 PolarHBondContact O-N 3.49Å; P568-G571 WeakPolarHBondContact O-CA 3.23Å; P568-G571 PolarHBondContact O-N 2.87Å; P568-A572 PolarHBondContact O-N 2.05Å
569	D	59	Low	66.1	Low	68 Å²	68	38.5 Å²	38.5	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-56.8	-29.4	170.5	-60.4	-26.1	0	0	0	113.9	L567 G571 A572 F573	L567-D569 HydrophobicContact CB-CB 4.43Å; L567-D569 PolarHBondContact O-N 3.3Å; D569-G571 VanDerWaalsContact C-N 3.31Å; D569-G571 PolarHBondContact O-N 3.22Å; D569-A572 PolarHBondContact O-N 2.91Å; D569-F573 PolarHBondContact O-N 3.49Å; D569-F573 VanDerWaalsContact O-N 3.16Å
570	N	67.4	Low	67.7	Low	25 Å²	25	35.7 Å²	35.7	13%	0.134	18%	0.177	C	C	.	.	H	α-helix	trans	-67.7	-33.4	172.5	-74.7	-12.2	0	0	0	111.8	V565 L567 P568 A572 F573 F574	V565-N570 PolarHBondContact O-ND2 3.09Å; L567-N570 WeakPolarHBondContact O-CB 3.49Å; L567-N570 PolarHBondContact O-N 2.82Å; P568-N570 PolarHBondContact O-N 3.49Å; N570-A572 VanDerWaalsContact C-N 3.32Å; N570-F573 WeakPolarHBondContact O-CB 3.37Å; N570-F573 PolarHBondContact O-N 2.87Å; N570-F574 WeakPolarHBondContact O-CD2 3.29Å; N570-F574 PolarHBondContact O-N 3.08Å
571	G	75.6	Confident	69.5	Low	7 Å²	7	33.7 Å²	33.7	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-41.8	172.2	0	0	0	0	0	111.6	P568 D569 F573 F574 V575	P568-G571 WeakPolarHBondContact O-CA 3.23Å; P568-G571 PolarHBondContact O-N 2.87Å; D569-G571 VanDerWaalsContact C-N 3.31Å; D569-G571 PolarHBondContact O-N 3.22Å; G571-F573 VanDerWaalsContact C-N 3.35Å; G571-F573 PolarHBondContact O-N 3.07Å; G571-F574 PolarHBondContact O-N 2.81Å; G571-V575 VanDerWaalsContact O-CG2 3.32Å; G571-V575 WeakPolarHBondContact O-CG2 3.44Å; G571-V575 PolarHBondContact O-N 2.93Å
572	A	76	Confident	71.3	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-39.7	178.2	0	0	0	0	0	111.8	F195 P568 D569 N570 F574 V575 N576	F195-A572 HydrophobicContact CD1-CB 3.83Å; F195-A572 HydrophobicContact CD2-CB 4.18Å; F195-A572 HydrophobicContact CE1-CB 3.7Å; F195-A572 HydrophobicContact CE2-CB 4.05Å; F195-A572 HydrophobicContact CG-CB 4.09Å; F195-A572 VanDerWaalsContact CZ-CA 3.42Å; F195-A572 HydrophobicContact CZ-CB 3.8Å; F195-A572 VanDerWaalsContact CZ-N 3.28Å; P568-A572 PolarHBondContact O-N 2.05Å; D569-A572 PolarHBondContact O-N 2.91Å; N570-A572 VanDerWaalsContact C-N 3.32Å; A572-F574 PolarHBondContact O-N 2.88Å; A572-V575 PolarHBondContact O-N 3.36Å; A572-N576 WeakPolarHBondContact O-CB 3.22Å; A572-N576 VanDerWaalsContact O-CG 3.26Å; A572-N576 PolarHBondContact O-N 3.4Å; A572-N576 PolarHBondContact O-ND2 3.16Å
573	F	77.2	Confident	72.9	Confident	104 Å²	104	26.8 Å²	26.8	46%	0.456	14%	0.139	S	C	.	.	H	α-helix	trans	-57	-49.4	173.4	171.5	-96.6	0	0	0	112.2	P535 D569 N570 G571 N576 Y577	P535-F573 HydrophobicContact CB-CE1 4.44Å; D569-F573 PolarHBondContact O-N 3.49Å; D569-F573 VanDerWaalsContact O-N 3.16Å; N570-F573 WeakPolarHBondContact O-CB 3.37Å; N570-F573 PolarHBondContact O-N 2.87Å; G571-F573 VanDerWaalsContact C-N 3.35Å; G571-F573 PolarHBondContact O-N 3.07Å; F573-N576 PolarHBondContact O-N 3.34Å; F573-Y577 WeakPolarHBondContact O-CB 3.38Å; F573-Y577 PolarHBondContact O-N 2.9Å
574	F	82.5	Confident	74.6	Confident	2 Å²	2	24 Å²	24	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-68.9	-34.2	-179.7	-77.2	-68.2	0	0	0	113.1	V531 P535 S536 N570 G571 A572 Y577 V578 V638 Y642 I649	V531-F574 WeakPolarHBondContact O-CE1 3.37Å; V531-F574 WeakPolarHBondContact O-CZ 3.44Å; P535-F574 HydrophobicContact CB-CZ 4.38Å; S536-F574 VanDerWaalsContact OG-CE2 3.27Å; S536-F574 WeakPolarHBondContact OG-CE2 3.3Å; S536-F574 VanDerWaalsContact OG-CZ 3.24Å; S536-F574 WeakPolarHBondContact OG-CZ 3.33Å; N570-F574 WeakPolarHBondContact O-CD2 3.29Å; N570-F574 PolarHBondContact O-N 3.08Å; G571-F574 PolarHBondContact O-N 2.81Å; A572-F574 PolarHBondContact O-N 2.88Å; F574-Y577 PolarHBondContact O-N 3.35Å; F574-V578 WeakPolarHBondContact O-CG2 3.35Å; F574-V578 PolarHBondContact O-N 3.35Å; F574-V638 HydrophobicContact CB-CG1 4.4Å; F574-V638 HydrophobicContact CD1-CG1 3.73Å; F574-V638 HydrophobicContact CE1-CG1 4.44Å; F574-V638 HydrophobicContact CG-CG1 4.35Å; F574-Y642 HydrophobicContact CB-CD2 4.4Å; F574-Y642 HydrophobicContact CD1-CE2 4.31Å; F574-Y642 HydrophobicContact CD2-CD2 4.13Å; F574-Y642 HydrophobicContact CD2-CE1 4.01Å; F574-Y642 AromaticContact CD2-CE2 3.42Å; F574-Y642 HydrophobicContact CD2-CE2 3.42Å; F574-Y642 VanDerWaalsContact CD2-CE2 3.42Å; F574-Y642 AromaticContact CD2-CZ 3.36Å; F574-Y642 WeakPolarHBondContact CD2-OH 3.31Å; F574-Y642 HydrophobicContact CE1-CE2 4.44Å; F574-Y642 HydrophobicContact CE2-CE1 4.47Å; F574-Y642 AromaticContact CE2-CE2 3.62Å; F574-Y642 HydrophobicContact CE2-CE2 3.62Å; F574-Y642 AromaticContact CE2-CZ 3.5Å; F574-Y642 VanDerWaalsContact CE2-CZ 3.5Å; F574-Y642 WeakPolarHBondContact CE2-OH 3.3Å; F574-Y642 HydrophobicContact CG-CD2 4.16Å; F574-Y642 AromaticContact CG-CE2 3.82Å; F574-Y642 HydrophobicContact CG-CE2 3.82Å; F574-Y642 HydrophobicContact CZ-CE2 4.14Å; F574-I649 HydrophobicContact CB-CD1 4.04Å
575	V	86.4	Confident	76.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-48.6	171.7	171.6	0	0	0	0	110.4	V44 F195 G571 A572 Y577 V578 I579 I649 F652	V44-V575 HydrophobicContact CG1-CG1 3.79Å; V44-V575 HydrophobicContact CG2-CB 4.44Å; V44-V575 HydrophobicContact CG2-CG1 3.96Å; F195-V575 HydrophobicContact CE2-CG2 4.48Å; F195-V575 HydrophobicContact CZ-CG2 4.21Å; G571-V575 VanDerWaalsContact O-CG2 3.32Å; G571-V575 WeakPolarHBondContact O-CG2 3.44Å; G571-V575 PolarHBondContact O-N 2.93Å; A572-V575 PolarHBondContact O-N 3.36Å; V575-Y577 VanDerWaalsContact C-N 3.33Å; V575-Y577 PolarHBondContact O-N 3.19Å; V575-V578 PolarHBondContact O-N 2.89Å; V575-I579 HydrophobicContact CG1-CD1 3.81Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 VanDerWaalsContact O-CG1 3.3Å; V575-I579 WeakPolarHBondContact O-CG1 3.3Å; V575-I579 PolarHBondContact O-N 3.07Å; V575-I649 HydrophobicContact CG2-CB 3.94Å; V575-I649 HydrophobicContact CG2-CG1 4.17Å; V575-F652 HydrophobicContact CG1-CD2 3.88Å; V575-F652 HydrophobicContact CG1-CE2 3.99Å
576	N	82	Confident	78	Confident	15 Å²	15	24.1 Å²	24.1	8%	0.08	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-41.5	176.3	-71.2	-28.3	0	0	0	112	G42 V44 V47 A572 F573 V578 I579 A580	G42-N576 PolarHBondContact O-ND2 2.64Å; V44-N576 VanDerWaalsContact CA-OD1 3.32Å; V44-N576 WeakPolarHBondContact CA-OD1 3.31Å; V44-N576 WeakPolarHBondContact CG2-OD1 3.17Å; V47-N576 HydrophobicContact CG1-CB 4.23Å; A572-N576 WeakPolarHBondContact O-CB 3.22Å; A572-N576 VanDerWaalsContact O-CG 3.26Å; A572-N576 PolarHBondContact O-N 3.4Å; A572-N576 PolarHBondContact O-ND2 3.16Å; F573-N576 PolarHBondContact O-N 3.34Å; N576-V578 PolarHBondContact O-N 2.8Å; N576-I579 PolarHBondContact O-N 3.22Å; N576-A580 WeakPolarHBondContact O-CB 3.44Å; N576-A580 PolarHBondContact O-N 2.89Å
577	Y	84.5	Confident	79.8	Confident	47 Å²	47	22.5 Å²	22.5	18%	0.184	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-44.2	174.8	169.6	-98.6	0	0	0	112.5	V531 F573 F574 V575 S581	V531-Y577 HydrophobicContact CG1-CD1 4.32Å; V531-Y577 HydrophobicContact CG1-CE1 3.68Å; V531-Y577 HydrophobicContact CG1-CE2 4.1Å; F573-Y577 WeakPolarHBondContact O-CB 3.38Å; F573-Y577 PolarHBondContact O-N 2.9Å; F574-Y577 PolarHBondContact O-N 3.35Å; V575-Y577 VanDerWaalsContact C-N 3.33Å; V575-Y577 PolarHBondContact O-N 3.19Å; Y577-S581 VanDerWaalsContact O-CB 3.3Å; Y577-S581 WeakPolarHBondContact O-CB 3.38Å; Y577-S581 PolarHBondContact O-N 2.77Å; Y577-S581 PolarHBondContact O-OG 3.31Å
578	V	89.6	Confident	81.1	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-39.1	178.7	171.5	0	0	0	0	111.2	F574 V575 N576 S581 A582 V638 V639 I649 F652	F574-V578 WeakPolarHBondContact O-CG2 3.35Å; F574-V578 PolarHBondContact O-N 3.35Å; V575-V578 PolarHBondContact O-N 2.89Å; N576-V578 PolarHBondContact O-N 2.8Å; V578-S581 PolarHBondContact O-N 2.68Å; V578-A582 VanDerWaalsContact O-CB 3.31Å; V578-A582 WeakPolarHBondContact O-CB 3.49Å; V578-A582 PolarHBondContact O-N 3.26Å; V578-V638 HydrophobicContact CG2-CG1 4.18Å; V578-V639 HydrophobicContact CG1-CG2 4.16Å; V578-V639 HydrophobicContact CG2-CG2 4.04Å; V578-I649 HydrophobicContact CB-CG1 4.33Å; V578-I649 HydrophobicContact CG2-CD1 3.89Å; V578-I649 HydrophobicContact CG2-CG1 3.95Å; V578-F652 HydrophobicContact CG1-CB 4.03Å
579	I	86.6	Confident	82.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-50.7	175	-69.3	168	0	0	0	110.7	V44 V47 L48 D51 V575 N576 S581 A582 F583 F652	V44-I579 HydrophobicContact CG1-CD1 3.68Å; V47-I579 HydrophobicContact CG1-CG2 4.42Å; L48-I579 HydrophobicContact CB-CD1 4.44Å; L48-I579 HydrophobicContact CB-CG2 4.31Å; L48-I579 HydrophobicContact CD1-CG2 3.82Å; D51-I579 HydrophobicContact CB-CG2 4.26Å; V575-I579 HydrophobicContact CG1-CD1 3.81Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 VanDerWaalsContact O-CG1 3.3Å; V575-I579 WeakPolarHBondContact O-CG1 3.3Å; V575-I579 PolarHBondContact O-N 3.07Å; N576-I579 PolarHBondContact O-N 3.22Å; I579-S581 VanDerWaalsContact C-N 3.28Å; I579-S581 PolarHBondContact O-N 2.86Å; I579-A582 WeakPolarHBondContact O-CB 3.35Å; I579-A582 PolarHBondContact O-N 3.43Å; I579-A582 VanDerWaalsContact O-N 3.08Å; I579-F583 HydrophobicContact CG2-CD2 3.97Å; I579-F583 HydrophobicContact CG2-CE2 4.18Å; I579-F583 WeakPolarHBondContact O-CD2 3.48Å; I579-F583 PolarHBondContact O-N 3.22Å; I579-F583 VanDerWaalsContact O-N 3.07Å; I579-F652 HydrophobicContact CD1-CD1 4.02Å; I579-F652 HydrophobicContact CD1-CD2 4.07Å; I579-F652 HydrophobicContact CD1-CE1 3.95Å; I579-F652 HydrophobicContact CD1-CE2 4.01Å; I579-F652 HydrophobicContact CD1-CG 4.08Å; I579-F652 HydrophobicContact CD1-CZ 3.94Å; I579-F652 HydrophobicContact CG1-CB 4.02Å; I579-F652 HydrophobicContact CG1-CD1 3.61Å; I579-F652 HydrophobicContact CG1-CD2 4.09Å; I579-F652 HydrophobicContact CG1-CE1 4.04Å; I579-F652 HydrophobicContact CG1-CE2 4.47Å; I579-F652 HydrophobicContact CG1-CG 3.64Å; I579-F652 HydrophobicContact CG1-CZ 4.45Å
580	A	84.5	Confident	83.8	Confident	29 Å²	29	22.9 Å²	22.9	24%	0.24	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-41.3	177.3	0	0	0	0	0	111.4	D51 N576 I584 G585	D51-A580 WeakPolarHBondContact OD2-CA 3.35Å; D51-A580 WeakPolarHBondContact OD2-CB 3.34Å; D51-A580 PolarHBondContact OD2-N 3.31Å; N576-A580 WeakPolarHBondContact O-CB 3.44Å; N576-A580 PolarHBondContact O-N 2.89Å; A580-I584 WeakPolarHBondContact O-CA 3.21Å; A580-I584 WeakPolarHBondContact O-CB 3.24Å; A580-I584 PolarHBondContact O-N 3.4Å; A580-G585 PolarHBondContact O-N 3.2Å
581	S	86.4	Confident	84.4	Confident	20 Å²	20	22 Å²	22	14%	0.14	12%	0.122	C	C	.	.	I	π-helix	trans	-65.8	-36.9	175.6	-60.1	0	0	0	0	112.5	Y577 V578 I579 G585 N586	Y577-S581 VanDerWaalsContact O-CB 3.3Å; Y577-S581 WeakPolarHBondContact O-CB 3.38Å; Y577-S581 PolarHBondContact O-N 2.77Å; Y577-S581 PolarHBondContact O-OG 3.31Å; V578-S581 PolarHBondContact O-N 2.68Å; I579-S581 VanDerWaalsContact C-N 3.28Å; I579-S581 PolarHBondContact O-N 2.86Å; S581-G585 VanDerWaalsContact O-CA 3.3Å; S581-G585 WeakPolarHBondContact O-CA 3.27Å; S581-G585 PolarHBondContact O-N 2.95Å; S581-N586 PolarHBondContact O-N 3.41Å
582	A	91.1	Very high	84.7	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.127	C	C	.	.	I	π-helix	trans	-63.2	-43.5	177.8	0	0	0	0	0	112.3	V578 I579 N586 Y656 L659	V578-A582 VanDerWaalsContact O-CB 3.31Å; V578-A582 WeakPolarHBondContact O-CB 3.49Å; V578-A582 PolarHBondContact O-N 3.26Å; I579-A582 WeakPolarHBondContact O-CB 3.35Å; I579-A582 PolarHBondContact O-N 3.43Å; I579-A582 VanDerWaalsContact O-N 3.08Å; A582-N586 WeakPolarHBondContact O-CB 3.46Å; A582-N586 PolarHBondContact O-ND2 3.16Å; A582-Y656 HydrophobicContact CB-CD2 4.48Å; A582-L659 VanDerWaalsContact O-CD1 3.29Å; A582-L659 WeakPolarHBondContact O-CD1 3.34Å
583	F	88.9	Confident	84.7	Confident	16 Å²	16	27 Å²	27	7%	0.07	14%	0.142	C	C	.	.	I	π-helix	trans	-95.1	-67.4	-175.3	-71.4	-63	0	0	0	111.7	L48 D51 F52 F55 I579 G585 A587 M655 L659	L48-F583 HydrophobicContact CD1-CD2 4.48Å; L48-F583 HydrophobicContact CD1-CE2 3.59Å; L48-F583 HydrophobicContact CD1-CZ 4.27Å; D51-F583 HydrophobicContact CB-CB 4.13Å; D51-F583 HydrophobicContact CB-CD2 4.16Å; D51-F583 HydrophobicContact CB-CG 4.48Å; F52-F583 HydrophobicContact CD2-CD1 4.44Å; F52-F583 AromaticContact CD2-CE1 3.87Å; F52-F583 HydrophobicContact CD2-CE1 3.87Å; F52-F583 HydrophobicContact CD2-CZ 4.23Å; F55-F583 HydrophobicContact CB-CB 3.99Å; F55-F583 HydrophobicContact CB-CD1 4Å; F55-F583 HydrophobicContact CB-CG 4.35Å; F55-F583 AromaticContact CD1-CD1 3.95Å; F55-F583 HydrophobicContact CD1-CD1 3.95Å; F55-F583 HydrophobicContact CD1-CE1 4.48Å; F55-F583 HydrophobicContact CD2-CB 4.29Å; F55-F583 HydrophobicContact CD2-CD1 4.15Å; F55-F583 WeakPolarHBondContact CD2-O 3.5Å; F55-F583 HydrophobicContact CE1-CD1 4.45Å; F55-F583 HydrophobicContact CG-CB 4.31Å; F55-F583 AromaticContact CG-CD1 3.78Å; F55-F583 HydrophobicContact CG-CD1 3.78Å; F55-F583 HydrophobicContact CG-CG 4.5Å; I579-F583 HydrophobicContact CG2-CD2 3.97Å; I579-F583 HydrophobicContact CG2-CE2 4.18Å; I579-F583 WeakPolarHBondContact O-CD2 3.48Å; I579-F583 PolarHBondContact O-N 3.22Å; I579-F583 VanDerWaalsContact O-N 3.07Å; F583-G585 PolarHBondContact O-N 3.03Å; F583-A587 VanDerWaalsContact O-CB 3.31Å; F583-A587 WeakPolarHBondContact O-CB 3.45Å; F583-A587 PolarHBondContact O-N 3.28Å; F583-M655 HydrophobicContact CZ-CG 4.4Å; F583-L659 HydrophobicContact CD1-CD1 4.14Å; F583-L659 HydrophobicContact CE1-CD1 4.12Å
584	I	85.9	Confident	84.3	Confident	64 Å²	64	25.7 Å²	25.7	33%	0.328	15%	0.145	S	C	.	.	I	π-helix	trans	-65.7	-43	-176	-59.2	174.7	0	0	0	110.7	D51 A580 A587 N588	D51-I584 VanDerWaalsContact OD1-CD1 3.27Å; D51-I584 WeakPolarHBondContact OD1-CD1 3.48Å; A580-I584 WeakPolarHBondContact O-CA 3.21Å; A580-I584 WeakPolarHBondContact O-CB 3.24Å; A580-I584 PolarHBondContact O-N 3.4Å; I584-A587 PolarHBondContact O-N 3.4Å; I584-N588 VanDerWaalsContact O-CB 3.29Å; I584-N588 WeakPolarHBondContact O-CB 3.44Å; I584-N588 PolarHBondContact O-N 2.86Å
585	G	84.7	Confident	83.9	Confident	26 Å²	26	26.8 Å²	26.8	27%	0.268	16%	0.156	S	C	.	.	I	π-helix	trans	-60.1	-53.4	179.7	0	0	0	0	0	112.6	A580 S581 F583 A587 N588 D589	A580-G585 PolarHBondContact O-N 3.2Å; S581-G585 VanDerWaalsContact O-CA 3.3Å; S581-G585 WeakPolarHBondContact O-CA 3.27Å; S581-G585 PolarHBondContact O-N 2.95Å; F583-G585 PolarHBondContact O-N 3.03Å; G585-A587 PolarHBondContact O-N 3.33Å; G585-N588 PolarHBondContact O-N 3.47Å; G585-D589 PolarHBondContact O-N 3.09Å
586	N	89.7	Confident	83.3	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-34.5	178.9	-72.5	-52	0	0	0	113.2	S581 A582 D589 L590 Y656 L659 K660	S581-N586 PolarHBondContact O-N 3.41Å; A582-N586 WeakPolarHBondContact O-CB 3.46Å; A582-N586 PolarHBondContact O-ND2 3.16Å; N586-D589 PolarHBondContact O-N 3Å; N586-L590 WeakPolarHBondContact O-CB 3.47Å; N586-L590 PolarHBondContact O-N 3.47Å; N586-Y656 PolarHBondContact ND2-O 2.68Å; N586-L659 HydrophobicContact CB-CB 4.22Å; N586-K660 WeakPolarHBondContact OD1-CA 3.42Å; N586-K660 VanDerWaalsContact OD1-CB 3.31Å; N586-K660 WeakPolarHBondContact OD1-CB 3.27Å; N586-K660 WeakPolarHBondContact OD1-CD 3.4Å; N586-K660 PolarHBondContact OD1-N 3.47Å
587	A	88.1	Confident	83	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-45.7	172.2	0	0	0	0	0	111.4	F55 L58 F583 I584 G585 D589 L590 L591	F55-A587 HydrophobicContact CD2-CB 3.8Å; F55-A587 HydrophobicContact CE2-CB 4.11Å; L58-A587 HydrophobicContact CB-CB 3.86Å; L58-A587 HydrophobicContact CD1-CB 3.62Å; L58-A587 HydrophobicContact CG-CB 4.4Å; F583-A587 VanDerWaalsContact O-CB 3.31Å; F583-A587 WeakPolarHBondContact O-CB 3.45Å; F583-A587 PolarHBondContact O-N 3.28Å; I584-A587 PolarHBondContact O-N 3.4Å; G585-A587 PolarHBondContact O-N 3.33Å; A587-D589 VanDerWaalsContact C-N 3.29Å; A587-D589 PolarHBondContact O-N 2.69Å; A587-L590 WeakPolarHBondContact O-CB 3.18Å; A587-L590 PolarHBondContact O-N 3.34Å; A587-L590 VanDerWaalsContact O-N 3.15Å; A587-L591 HydrophobicContact CB-CD1 4.47Å; A587-L591 WeakPolarHBondContact O-CD1 3.27Å; A587-L591 PolarHBondContact O-N 3.09Å
588	N	83.8	Confident	82.5	Confident	52 Å²	52	35.3 Å²	35.3	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-41	176.2	177.8	60.8	0	0	0	112.4	I584 G585 L591 R592 I593	I584-N588 VanDerWaalsContact O-CB 3.29Å; I584-N588 WeakPolarHBondContact O-CB 3.44Å; I584-N588 PolarHBondContact O-N 2.86Å; G585-N588 PolarHBondContact O-N 3.47Å; N588-L591 PolarHBondContact O-N 2.92Å; N588-R592 WeakPolarHBondContact O-CA 3.29Å; N588-R592 PolarHBondContact O-N 3.47Å; N588-I593 VanDerWaalsContact OD1-CB 3.25Å; N588-I593 WeakPolarHBondContact OD1-CB 3.37Å; N588-I593 VanDerWaalsContact OD1-CD1 3.29Å; N588-I593 WeakPolarHBondContact OD1-CD1 3.31Å; N588-I593 VanDerWaalsContact OD1-CG1 3.26Å; N588-I593 WeakPolarHBondContact OD1-CG1 3.47Å
589	D	83.7	Confident	81.8	Confident	59 Å²	59	35.9 Å²	35.9	32%	0.316	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-40.7	174.9	-78.2	-3.2	0	0	0	112	G585 N586 A587 R592 K660 N667	G585-D589 PolarHBondContact O-N 3.09Å; N586-D589 PolarHBondContact O-N 3Å; A587-D589 VanDerWaalsContact C-N 3.29Å; A587-D589 PolarHBondContact O-N 2.69Å; D589-R592 VanDerWaalsContact O-CG 3.31Å; D589-R592 WeakPolarHBondContact O-CG 3.43Å; D589-R592 PolarHBondContact O-N 2.78Å; D589-K660 IonicContact OD2-NZ 3.06Å; D589-K660 PolarHBondContact OD2-NZ 3.5Å; D589-N667 PolarHBondContact O-ND2 3.27Å
590	L	85.3	Confident	81.3	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-45.3	175.5	-172.6	68.9	0	0	0	111.8	L59 F62 W133 N586 A587 R592 A663 Y666 N667	L59-L590 HydrophobicContact CD2-CD2 3.73Å; F62-L590 HydrophobicContact CD1-CD2 3.97Å; F62-L590 HydrophobicContact CD1-CG 4.47Å; F62-L590 HydrophobicContact CD2-CD2 4.41Å; F62-L590 HydrophobicContact CD2-CG 4.14Å; F62-L590 HydrophobicContact CE1-CD2 4.08Å; F62-L590 HydrophobicContact CE1-CG 4.33Å; F62-L590 HydrophobicContact CE2-CD1 4.47Å; F62-L590 HydrophobicContact CE2-CG 3.98Å; F62-L590 HydrophobicContact CG-CD2 4.15Å; F62-L590 HydrophobicContact CG-CG 4.38Å; F62-L590 HydrophobicContact CZ-CD1 4.25Å; F62-L590 HydrophobicContact CZ-CD2 4.34Å; F62-L590 HydrophobicContact CZ-CG 4.09Å; W133-L590 HydrophobicContact CH2-CD2 3.69Å; W133-L590 HydrophobicContact CZ2-CD2 4.38Å; W133-L590 HydrophobicContact CZ3-CD2 3.93Å; N586-L590 WeakPolarHBondContact O-CB 3.47Å; N586-L590 PolarHBondContact O-N 3.47Å; A587-L590 WeakPolarHBondContact O-CB 3.18Å; A587-L590 PolarHBondContact O-N 3.34Å; A587-L590 VanDerWaalsContact O-N 3.15Å; L590-R592 VanDerWaalsContact C-N 3.32Å; L590-A663 HydrophobicContact CB-CB 4.48Å; L590-A663 HydrophobicContact CD1-CB 4.39Å; L590-Y666 HydrophobicContact CD1-CD1 3.73Å; L590-Y666 HydrophobicContact CD1-CE1 4.43Å; L590-Y666 HydrophobicContact CD1-CG 4.35Å; L590-N667 PolarHBondContact O-OD1 3.38Å
591	L	80.9	Confident	81.1	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-72.9	-24.1	177.9	-80	92	0	0	0	113	L58 L61 F62 L65 A587 N588 I593 L596	L58-L591 HydrophobicContact CB-CD1 4.18Å; L61-L591 HydrophobicContact CD2-CD2 3.9Å; L61-L591 HydrophobicContact CG-CD2 4.16Å; F62-L591 HydrophobicContact CB-CD1 3.91Å; F62-L591 HydrophobicContact CB-CD2 4.42Å; F62-L591 HydrophobicContact CB-CG 3.94Å; F62-L591 HydrophobicContact CD2-CG 4.17Å; L65-L591 HydrophobicContact CD1-CD2 4.19Å; A587-L591 HydrophobicContact CB-CD1 4.47Å; A587-L591 WeakPolarHBondContact O-CD1 3.27Å; A587-L591 PolarHBondContact O-N 3.09Å; N588-L591 PolarHBondContact O-N 2.92Å; L591-I593 VanDerWaalsContact C-N 3.33Å; L591-I593 HydrophobicContact CB-CD1 4.47Å; L591-I593 HydrophobicContact CB-CG1 3.76Å; L591-I593 PolarHBondContact O-N 2.96Å; L591-L596 WeakPolarHBondContact O-CD1 3.5Å
592	R	80.3	Confident	80.7	Confident	44 Å²	44	48 Å²	48	17%	0.166	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	46	-172.9	-55.4	179.8	-67.8	169.9	-2	112.1	N588 D589 L590 P594 G595 L596 A671	N588-R592 WeakPolarHBondContact O-CA 3.29Å; N588-R592 PolarHBondContact O-N 3.47Å; D589-R592 VanDerWaalsContact O-CG 3.31Å; D589-R592 WeakPolarHBondContact O-CG 3.43Å; D589-R592 PolarHBondContact O-N 2.78Å; L590-R592 VanDerWaalsContact C-N 3.32Å; R592-P594 VanDerWaalsContact C-CD 3.48Å; R592-G595 WeakPolarHBondContact O-CA 3.48Å; R592-G595 PolarHBondContact O-N 3.41Å; R592-L596 PolarHBondContact O-N 3.28Å; R592-A671 VanDerWaalsContact CZ-CB 3.42Å; R592-A671 PolarHBondContact NH1-O 2.91Å; R592-A671 VanDerWaalsContact NH1-O 3.1Å
593	I	75.8	Confident	80	Confident	70 Å²	70	49.3 Å²	49.3	36%	0.359	26%	0.26	S	S	.	.	H	α-helix	trans	-52.1	-44.2	-174.5	-53.9	-177.6	0	0	0	112.8	N588 L591 G595 L596 L597	N588-I593 VanDerWaalsContact OD1-CB 3.25Å; N588-I593 WeakPolarHBondContact OD1-CB 3.37Å; N588-I593 VanDerWaalsContact OD1-CD1 3.29Å; N588-I593 WeakPolarHBondContact OD1-CD1 3.31Å; N588-I593 VanDerWaalsContact OD1-CG1 3.26Å; N588-I593 WeakPolarHBondContact OD1-CG1 3.47Å; L591-I593 VanDerWaalsContact C-N 3.33Å; L591-I593 HydrophobicContact CB-CD1 4.47Å; L591-I593 HydrophobicContact CB-CG1 3.76Å; L591-I593 PolarHBondContact O-N 2.96Å; I593-G595 VanDerWaalsContact C-N 3.31Å; I593-G595 PolarHBondContact O-N 3.47Å; I593-L596 PolarHBondContact O-N 3.48Å; I593-L597 WeakPolarHBondContact O-CB 3.41Å; I593-L597 PolarHBondContact O-N 3.08Å
594	P	70.4	Confident	79.4	Confident	78 Å²	78	51.3 Å²	51.3	51%	0.506	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-37.8	178.1	-23.3	34.6	0	0	0	113.2	R592 L597 M598	R592-P594 VanDerWaalsContact C-CD 3.48Å; P594-L597 PolarHBondContact O-N 3.04Å; P594-M598 PolarHBondContact O-N 3.27Å
595	G	72.6	Confident	79	Confident	24 Å²	24	52.6 Å²	52.6	25%	0.247	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-41	175.9	0	0	0	0	0	112.1	R592 I593 M598 Y599	R592-G595 WeakPolarHBondContact O-CA 3.48Å; R592-G595 PolarHBondContact O-N 3.41Å; I593-G595 VanDerWaalsContact C-N 3.31Å; I593-G595 PolarHBondContact O-N 3.47Å; G595-M598 PolarHBondContact O-N 2.93Å; G595-Y599 WeakPolarHBondContact O-CB 3.45Å; G595-Y599 PolarHBondContact O-N 3.35Å
596	L	75.5	Confident	78.6	Confident	62 Å²	62	51.7 Å²	51.7	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-43.5	174	-72.1	173.9	0	0	0	111.7	L591 R592 I593 Y599 M600	L591-L596 WeakPolarHBondContact O-CD1 3.5Å; R592-L596 PolarHBondContact O-N 3.28Å; I593-L596 PolarHBondContact O-N 3.48Å; L596-Y599 WeakPolarHBondContact O-CB 3.21Å; L596-Y599 PolarHBondContact O-N 2.9Å; L596-M600 VanDerWaalsContact O-CG 3.28Å; L596-M600 WeakPolarHBondContact O-CG 3.27Å; L596-M600 PolarHBondContact O-N 3.16Å
597	L	73.9	Confident	77.7	Confident	110 Å²	110	56.5 Å²	56.5	58%	0.576	29%	0.291	S	S	*	.	H	α-helix	trans	-60.5	-48.4	176.8	-172.8	80.3	0	0	0	111	I593 P594 Y599 M600 I601	I593-L597 WeakPolarHBondContact O-CB 3.41Å; I593-L597 PolarHBondContact O-N 3.08Å; P594-L597 PolarHBondContact O-N 3.04Å; L597-Y599 VanDerWaalsContact C-N 3.26Å; L597-Y599 PolarHBondContact O-N 3.32Å; L597-M600 PolarHBondContact O-N 3.46Å; L597-M600 VanDerWaalsContact O-N 3.17Å; L597-I601 HydrophobicContact CD2-CD1 4.38Å; L597-I601 HydrophobicContact CG-CD1 4.05Å; L597-I601 VanDerWaalsContact O-CG1 3.31Å; L597-I601 WeakPolarHBondContact O-CG1 3.49Å; L597-I601 PolarHBondContact O-N 2.96Å
598	M	74	Confident	77.1	Confident	69 Å²	69	57 Å²	57	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-37.8	177.5	-171.6	62.9	-175.2	0	0	111.7	P594 G595 R602	P594-M598 PolarHBondContact O-N 3.27Å; G595-M598 PolarHBondContact O-N 2.93Å; M598-R602 HydrophobicContact CE-CG 4.27Å; M598-R602 WeakPolarHBondContact O-CB 3.37Å; M598-R602 VanDerWaalsContact O-CG 3.27Å; M598-R602 WeakPolarHBondContact O-CG 3.23Å; M598-R602 PolarHBondContact O-N 3.38Å
599	Y	75.2	Confident	76.6	Confident	13 Å²	13	55.5 Å²	55.5	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-47.8	173.1	167.5	-108.9	0	0	0	112.2	G595 L596 L597 I601 R602 L603 V615 K616 Q619	G595-Y599 WeakPolarHBondContact O-CB 3.45Å; G595-Y599 PolarHBondContact O-N 3.35Å; L596-Y599 WeakPolarHBondContact O-CB 3.21Å; L596-Y599 PolarHBondContact O-N 2.9Å; L597-Y599 VanDerWaalsContact C-N 3.26Å; L597-Y599 PolarHBondContact O-N 3.32Å; Y599-I601 VanDerWaalsContact C-N 3.31Å; Y599-I601 PolarHBondContact O-N 2.96Å; Y599-R602 PolarHBondContact O-N 3.49Å; Y599-L603 HydrophobicContact CE2-CD1 4.17Å; Y599-L603 WeakPolarHBondContact O-CB 3.29Å; Y599-L603 PolarHBondContact O-N 2.86Å; Y599-V615 HydrophobicContact CD2-CG1 4.13Å; Y599-V615 HydrophobicContact CE2-CG1 4.1Å; Y599-K616 HydrophobicContact CE2-CG 4.36Å; Y599-K616 WeakPolarHBondContact OH-CG 3.48Å; Y599-Q619 HydrophobicContact CD2-CG 3.83Å; Y599-Q619 VanDerWaalsContact CD2-OE1 3.22Å; Y599-Q619 HydrophobicContact CE2-CG 4.39Å; Y599-Q619 VanDerWaalsContact CG-CD 3.48Å; Y599-Q619 HydrophobicContact CG-CG 4.3Å
600	M	76.8	Confident	76.1	Confident	118 Å²	118	52.8 Å²	52.8	58%	0.581	28%	0.275	S	S	*	.	H	α-helix	trans	-61.3	-39.9	177.6	-66	-62.8	-92.4	0	0	111.6	L596 L597 L603 S604	L596-M600 VanDerWaalsContact O-CG 3.28Å; L596-M600 WeakPolarHBondContact O-CG 3.27Å; L596-M600 PolarHBondContact O-N 3.16Å; L597-M600 PolarHBondContact O-N 3.46Å; L597-M600 VanDerWaalsContact O-N 3.17Å; M600-L603 WeakPolarHBondContact O-CB 3.34Å; M600-L603 PolarHBondContact O-N 2.82Å; M600-S604 WeakPolarHBondContact O-CB 3.46Å; M600-S604 PolarHBondContact O-N 3.35Å; M600-S604 PolarHBondContact O-OG 3.24Å
601	I	79.6	Confident	75.7	Confident	73 Å²	73	53.6 Å²	53.6	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-50.2	173.7	-67.4	166.2	0	0	0	110.3	L597 Y599 L603 S604 L605	L597-I601 HydrophobicContact CD2-CD1 4.38Å; L597-I601 HydrophobicContact CG-CD1 4.05Å; L597-I601 VanDerWaalsContact O-CG1 3.31Å; L597-I601 WeakPolarHBondContact O-CG1 3.49Å; L597-I601 PolarHBondContact O-N 2.96Å; Y599-I601 VanDerWaalsContact C-N 3.31Å; Y599-I601 PolarHBondContact O-N 2.96Å; I601-L603 VanDerWaalsContact C-N 3.26Å; I601-L603 PolarHBondContact O-N 3.41Å; I601-S604 PolarHBondContact O-N 2.93Å; I601-S604 VanDerWaalsContact O-N 3.16Å; I601-S604 PolarHBondContact O-OG 2.84Å; I601-L605 HydrophobicContact CG2-CD1 3.85Å; I601-L605 HydrophobicContact CG2-CG 4.44Å; I601-L605 WeakPolarHBondContact O-CG 3.37Å; I601-L605 PolarHBondContact O-N 3.33Å
602	R	78	Confident	75.4	Confident	111 Å²	111	55 Å²	55	42%	0.419	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-35.6	177.1	-74.1	175.1	-179.8	-169.7	0.1	112.7	M598 Y599 L605 A606 V615	M598-R602 HydrophobicContact CE-CG 4.27Å; M598-R602 WeakPolarHBondContact O-CB 3.37Å; M598-R602 VanDerWaalsContact O-CG 3.27Å; M598-R602 WeakPolarHBondContact O-CG 3.23Å; M598-R602 PolarHBondContact O-N 3.38Å; Y599-R602 PolarHBondContact O-N 3.49Å; R602-L605 PolarHBondContact O-N 3.06Å; R602-A606 PolarHBondContact O-N 3.3Å; R602-V615 HydrophobicContact CB-CG1 4.06Å
603	L	77	Confident	75.1	Confident	30 Å²	30	57.5 Å²	57.5	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-42.4	176.7	-158.1	76	0	0	0	111.3	Y599 M600 I601 L605 A606 R612	Y599-L603 HydrophobicContact CE2-CD1 4.17Å; Y599-L603 WeakPolarHBondContact O-CB 3.29Å; Y599-L603 PolarHBondContact O-N 2.86Å; M600-L603 WeakPolarHBondContact O-CB 3.34Å; M600-L603 PolarHBondContact O-N 2.82Å; I601-L603 VanDerWaalsContact C-N 3.26Å; I601-L603 PolarHBondContact O-N 3.41Å; L603-L605 VanDerWaalsContact C-N 3.34Å; L603-A606 WeakPolarHBondContact O-CB 3.34Å; L603-A606 PolarHBondContact O-N 3.48Å; L603-R612 HydrophobicContact CD1-CG 3.39Å; L603-R612 HydrophobicContact CG-CG 4.09Å
604	S	75.9	Confident	75	Confident	58 Å²	58	55 Å²	55	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-33.4	177.1	72	0	0	0	0	113	C321 M600 I601	C321-S604 PolarHBondContact SG-O 3.35Å; C321-S604 VanDerWaalsContact SG-O 3.42Å; M600-S604 WeakPolarHBondContact O-CB 3.46Å; M600-S604 PolarHBondContact O-N 3.35Å; M600-S604 PolarHBondContact O-OG 3.24Å; I601-S604 PolarHBondContact O-N 2.93Å; I601-S604 VanDerWaalsContact O-N 3.16Å; I601-S604 PolarHBondContact O-OG 2.84Å
605	L	77.6	Confident	75.1	Confident	91 Å²	91	52.7 Å²	52.7	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-80.9	-10.6	178.4	-68.3	173.2	0	0	0	114.2	I601 R602 L603	I601-L605 HydrophobicContact CG2-CD1 3.85Å; I601-L605 HydrophobicContact CG2-CG 4.44Å; I601-L605 WeakPolarHBondContact O-CG 3.37Å; I601-L605 PolarHBondContact O-N 3.33Å; R602-L605 PolarHBondContact O-N 3.06Å; L603-L605 VanDerWaalsContact C-N 3.34Å
606	A	75.8	Confident	75	Confident	7 Å²	7	52.3 Å²	52.3	6%	0.058	26%	0.256	C	S	.	.			trans	-64.8	137.6	-179.4	0	0	0	0	0	111.5	R602 L603 E611 R612	R602-A606 PolarHBondContact O-N 3.3Å; L603-A606 WeakPolarHBondContact O-CB 3.34Å; L603-A606 PolarHBondContact O-N 3.48Å; A606-E611 HydrophobicContact CB-CB 4.35Å; A606-E611 HydrophobicContact CB-CG 4.17Å; A606-R612 HydrophobicContact CB-CB 4.47Å
607	R	72.4	Confident	74.6	Confident	104 Å²	104	52.6 Å²	52.6	39%	0.392	25%	0.254	S	S	.	.			trans	-82.2	-32.5	-173	-57.6	173.6	-177.2	175.1	6.1	113	P318 E611	P318-R607 WeakPolarHBondContact O-CD 3.24Å; R607-E611 VanDerWaalsContact CB-OE2 3.28Å; R607-E611 WeakPolarHBondContact CB-OE2 3.25Å; R607-E611 WeakPolarHBondContact CG-OE2 3.27Å; R607-E611 PolarHBondContact N-OE2 2.87Å
608	S	74	Confident	74.1	Confident	9 Å²	9	51 Å²	51	6%	0.063	24%	0.244	C	C	.	.	S	Bend	trans	-142.5	163.8	-172.2	73.2	0	0	0	0	112.8	Y341 A610 E611 R612	Y341-S608 PolarHBondContact OH-OG 2.94Å; S608-A610 PolarHBondContact O-N 2.85Å; S608-E611 PolarHBondContact O-N 3.43Å; S608-E611 VanDerWaalsContact O-N 3.11Å; S608-E611 PolarHBondContact OG-N 3.35Å; S608-R612 PolarHBondContact O-N 2.88Å
609	A	73.8	Confident	73.4	Confident	22 Å²	22	49 Å²	49	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-36.1	175.4	0	0	0	0	0	112.5	F302 R612 R613 V828	F302-A609 HydrophobicContact CE1-CB 4.4Å; A609-R612 WeakPolarHBondContact O-CB 3.31Å; A609-R612 PolarHBondContact O-N 3.46Å; A609-R613 PolarHBondContact O-N 3.36Å; A609-V828 HydrophobicContact CB-CG2 3.64Å
610	A	74.1	Confident	72.9	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-43	174.9	0	0	0	0	0	112.4	N299 F302 F303 S608 R612 R613 N614	N299-A610 HydrophobicContact CB-CB 4.02Å; N299-A610 WeakPolarHBondContact OD1-CB 3.48Å; F302-A610 HydrophobicContact CB-CB 4.17Å; F302-A610 HydrophobicContact CD1-CB 3.43Å; F302-A610 VanDerWaalsContact CD1-CB 3.43Å; F302-A610 HydrophobicContact CE1-CB 4.05Å; F302-A610 HydrophobicContact CG-CB 3.97Å; F303-A610 HydrophobicContact CD2-CB 4.1Å; F303-A610 HydrophobicContact CE2-CB 3.36Å; F303-A610 HydrophobicContact CZ-CB 3.82Å; S608-A610 PolarHBondContact O-N 2.85Å; A610-R612 VanDerWaalsContact C-N 3.33Å; A610-R613 PolarHBondContact O-N 3.23Å; A610-N614 PolarHBondContact O-N 3.5Å
611	E	75.4	Confident	72.6	Confident	23 Å²	23	47.7 Å²	47.7	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-38.4	177.8	-171.2	167.8	-156.2	0	0	111.2	K295 A606 R607 S608 R613 N614 V615	K295-E611 VanDerWaalsContact CE-OE1 3.26Å; K295-E611 WeakPolarHBondContact CE-OE1 3.35Å; K295-E611 IonicContact NZ-OE1 3.2Å; K295-E611 PolarHBondContact NZ-OE1 3.24Å; A606-E611 HydrophobicContact CB-CB 4.35Å; A606-E611 HydrophobicContact CB-CG 4.17Å; R607-E611 VanDerWaalsContact CB-OE2 3.28Å; R607-E611 WeakPolarHBondContact CB-OE2 3.25Å; R607-E611 WeakPolarHBondContact CG-OE2 3.27Å; R607-E611 PolarHBondContact N-OE2 2.87Å; S608-E611 PolarHBondContact O-N 3.43Å; S608-E611 VanDerWaalsContact O-N 3.11Å; S608-E611 PolarHBondContact OG-N 3.35Å; E611-R613 PolarHBondContact O-N 3.49Å; E611-N614 CarbonylContact O-C 3.19Å; E611-N614 WeakPolarHBondContact O-CB 3.24Å; E611-N614 PolarHBondContact O-N 2.98Å; E611-N614 VanDerWaalsContact O-N 3.15Å; E611-V615 WeakPolarHBondContact O-CG2 3.3Å; E611-V615 PolarHBondContact O-N 3.02Å
612	R	75.6	Confident	72.5	Confident	38 Å²	38	46.7 Å²	46.7	14%	0.143	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-46.2	172.7	-168.8	-179.2	-73.8	-160.3	-0.2	111.8	H323 L603 A606 S608 A609 A610 N614 V615 K616 E827	H323-R612 PolarHBondContact CD2-NH2 2.98Å; H323-R612 VanDerWaalsContact CD2-NH2 3.33Å; L603-R612 HydrophobicContact CD1-CG 3.39Å; L603-R612 HydrophobicContact CG-CG 4.09Å; A606-R612 HydrophobicContact CB-CB 4.47Å; S608-R612 PolarHBondContact O-N 2.88Å; A609-R612 WeakPolarHBondContact O-CB 3.31Å; A609-R612 PolarHBondContact O-N 3.46Å; A610-R612 VanDerWaalsContact C-N 3.33Å; R612-N614 VanDerWaalsContact C-N 3.32Å; R612-N614 PolarHBondContact O-N 2.87Å; R612-V615 PolarHBondContact O-N 3.38Å; R612-K616 WeakPolarHBondContact O-CG 3.44Å; R612-K616 PolarHBondContact O-N 2.91Å; R612-E827 IonicContact CZ-OE2 2.71Å; R612-E827 IonicContact NH1-OE1 2.53Å; R612-E827 PolarHBondContact NH1-OE1 3.32Å; R612-E827 IonicContact NH1-OE2 3.94Å; R612-E827 PolarHBondContact NH1-OE2 3.38Å
613	R	73.9	Confident	72.8	Confident	95 Å²	95	42 Å²	42	36%	0.358	21%	0.206	S	C	.	.	H	α-helix	trans	-61.6	-39.8	173.8	-173.1	178.9	-175.4	-166	-0.7	111.8	F302 A609 A610 E611 K616 K617	F302-R613 VanDerWaalsContact CD2-NH1 3.31Å; A609-R613 PolarHBondContact O-N 3.36Å; A610-R613 PolarHBondContact O-N 3.23Å; E611-R613 PolarHBondContact O-N 3.49Å; R613-K616 PolarHBondContact O-N 2.98Å; R613-K617 WeakPolarHBondContact O-CG 3.18Å; R613-K617 PolarHBondContact O-N 2.83Å
614	N	72.6	Confident	73.2	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-42.4	176.6	-90.8	-36.1	0	0	0	112.3	R298 N299 A610 E611 R612 K616 K617 H618	R298-N614 PolarHBondContact NH1-OD1 3.32Å; R298-N614 VanDerWaalsContact NH1-OD1 3.11Å; N299-N614 PolarHBondContact OD1-ND2 3.48Å; A610-N614 PolarHBondContact O-N 3.5Å; E611-N614 CarbonylContact O-C 3.19Å; E611-N614 WeakPolarHBondContact O-CB 3.24Å; E611-N614 PolarHBondContact O-N 2.98Å; E611-N614 VanDerWaalsContact O-N 3.15Å; R612-N614 VanDerWaalsContact C-N 3.32Å; R612-N614 PolarHBondContact O-N 2.87Å; N614-K616 VanDerWaalsContact C-N 3.34Å; N614-K616 PolarHBondContact O-N 3.45Å; N614-K617 PolarHBondContact O-N 3.27Å; N614-H618 PolarHBondContact O-N 2.93Å; N614-H618 VanDerWaalsContact O-N 3.1Å; N614-H618 PolarHBondContact O-ND1 3.29Å
615	V	73.9	Confident	73.8	Confident	31 Å²	31	40.1 Å²	40.1	19%	0.188	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-45.5	174.2	172.1	0	0	0	0	110.5	Y599 R602 E611 R612 K617 H618 Q619	Y599-V615 HydrophobicContact CD2-CG1 4.13Å; Y599-V615 HydrophobicContact CE2-CG1 4.1Å; R602-V615 HydrophobicContact CB-CG1 4.06Å; E611-V615 WeakPolarHBondContact O-CG2 3.3Å; E611-V615 PolarHBondContact O-N 3.02Å; R612-V615 PolarHBondContact O-N 3.38Å; V615-K617 VanDerWaalsContact C-N 3.34Å; V615-K617 PolarHBondContact O-N 2.98Å; V615-H618 PolarHBondContact O-N 3.03Å; V615-Q619 PolarHBondContact O-N 2.95Å
616	K	70.6	Confident	74.4	Confident	15 Å²	15	35.8 Å²	35.8	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-43.4	174.4	-73.9	175.1	177.7	-174.6	0	112.6	Y72 Y599 R612 R613 N614 H618 E820	Y72-K616 HydrophobicContact CD1-CD 4.25Å; Y72-K616 HydrophobicContact CD1-CG 4.35Å; Y72-K616 HydrophobicContact CE1-CD 4.21Å; Y599-K616 HydrophobicContact CE2-CG 4.36Å; Y599-K616 WeakPolarHBondContact OH-CG 3.48Å; R612-K616 WeakPolarHBondContact O-CG 3.44Å; R612-K616 PolarHBondContact O-N 2.91Å; R613-K616 PolarHBondContact O-N 2.98Å; N614-K616 VanDerWaalsContact C-N 3.34Å; N614-K616 PolarHBondContact O-N 3.45Å; K616-H618 VanDerWaalsContact C-N 3.35Å; K616-H618 PolarHBondContact O-N 3.17Å; K616-E820 IonicContact NZ-OE1 2.74Å; K616-E820 PolarHBondContact NZ-OE1 3.02Å
617	K	66.6	Low	74.9	Confident	68 Å²	68	36.3 Å²	36.3	30%	0.296	17%	0.171	S	C	.	.	H	α-helix	trans	-74	-17	179.5	-71.2	-177.4	177.8	-170	0	114.9	L75 A79 R83 R613 N614 V615	L75-K617 HydrophobicContact CD2-CG 4.13Å; A79-K617 HydrophobicContact CB-CB 4.5Å; R83-K617 PolarHBondContact NH2-O 3.29Å; R613-K617 WeakPolarHBondContact O-CG 3.18Å; R613-K617 PolarHBondContact O-N 2.83Å; N614-K617 PolarHBondContact O-N 3.27Å; V615-K617 VanDerWaalsContact C-N 3.34Å; V615-K617 PolarHBondContact O-N 2.98Å
618	H	63.3	Low	75.7	Confident	77 Å²	77	32 Å²	32	36%	0.356	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	24.6	-175.5	-66.1	63.6	0	0	0	112.5	R83 R298 N614 V615 K616	R83-H618 PolarHBondContact NH1-CD2 3.39Å; R83-H618 PolarHBondContact NH1-CE1 2.74Å; R83-H618 PolarHBondContact NH1-NE2 3.27Å; R298-H618 PolarHBondContact NH1-CE1 3.18Å; R298-H618 PolarHBondContact NH1-NE2 2.95Å; N614-H618 PolarHBondContact O-N 2.93Å; N614-H618 VanDerWaalsContact O-N 3.1Å; N614-H618 PolarHBondContact O-ND1 3.29Å; V615-H618 PolarHBondContact O-N 3.03Å; K616-H618 VanDerWaalsContact C-N 3.35Å; K616-H618 PolarHBondContact O-N 3.17Å
619	Q	59.9	Low	76.6	Confident	28 Å²	28	31.5 Å²	31.5	13%	0.131	15%	0.154	C	C	.	.			trans	-89.1	-7.5	-175	-163.4	-177.2	-13.1	0	0	113.8	A76 Y599 V615 Y621	A76-Q619 HydrophobicContact CB-CB 4.25Å; Y599-Q619 HydrophobicContact CD2-CG 3.83Å; Y599-Q619 VanDerWaalsContact CD2-OE1 3.22Å; Y599-Q619 HydrophobicContact CE2-CG 4.39Å; Y599-Q619 VanDerWaalsContact CG-CD 3.48Å; Y599-Q619 HydrophobicContact CG-CG 4.3Å; V615-Q619 PolarHBondContact O-N 2.95Å; Q619-Y621 HydrophobicContact CG-CE2 4.18Å; Q619-Y621 WeakPolarHBondContact O-CD2 3.32Å; Q619-Y621 VanDerWaalsContact O-CE2 3.26Å; Q619-Y621 WeakPolarHBondContact O-CE2 3.48Å; Q619-Y621 PolarHBondContact O-N 3.35Å
620	A	64.2	Low	77.4	Confident	30 Å²	30	30.5 Å²	30.5	25%	0.248	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-66.6	123.7	-177.2	0	0	0	0	0	109.4	A76 L77 L673	A76-A620 HydrophobicContact CB-CB 3.77Å; L77-A620 HydrophobicContact CD2-CB 4.48Å; A620-L673 HydrophobicContact CB-CD1 3.28Å; A620-L673 HydrophobicContact CB-CG 4.08Å; A620-L673 WeakPolarHBondContact O-CD1 3.49Å
621	Y	70.2	Confident	78.1	Confident	73 Å²	73	34.7 Å²	34.7	29%	0.286	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.5	-179.9	-71.6	-82.2	0	0	0	110.2	Q619 Y672 L673	Q619-Y621 HydrophobicContact CG-CE2 4.18Å; Q619-Y621 WeakPolarHBondContact O-CD2 3.32Å; Q619-Y621 VanDerWaalsContact O-CE2 3.26Å; Q619-Y621 WeakPolarHBondContact O-CE2 3.48Å; Q619-Y621 PolarHBondContact O-N 3.35Å; Y621-Y672 WeakPolarHBondContact O-CA 3.44Å; Y621-Y672 VanDerWaalsContact O-CD1 3.3Å; Y621-Y672 WeakPolarHBondContact O-CD1 3.28Å; Y621-L673 VanDerWaalsContact O-CD1 3.27Å; Y621-L673 WeakPolarHBondContact O-CD1 3.49Å; Y621-L673 PolarHBondContact O-N 3.41Å; Y621-L673 VanDerWaalsContact O-N 3.17Å
622	E	77.7	Confident	78.9	Confident	51 Å²	51	33.6 Å²	33.6	24%	0.238	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.4	167.8	-69.2	-178.9	-174	0	0	109.8	R512 Q624 L673 T675	R512-E622 IonicContact CZ-OE1 3.69Å; R512-E622 IonicContact CZ-OE2 2.68Å; R512-E622 VanDerWaalsContact NH1-CD 3.29Å; R512-E622 IonicContact NH1-OE1 3.21Å; R512-E622 PolarHBondContact NH1-OE1 3.32Å; R512-E622 IonicContact NH1-OE2 2.76Å; R512-E622 PolarHBondContact NH1-OE2 3.43Å; R512-E622 IonicContact NH2-OE1 2.86Å; R512-E622 PolarHBondContact NH2-OE1 3.21Å; R512-E622 IonicContact NH2-OE2 2.7Å; E622-Q624 PolarHBondContact O-N 2.95Å; E622-L673 HydrophobicContact CG-CB 4.48Å; E622-T675 HydrophobicContact CB-CG2 3.65Å; E622-T675 HydrophobicContact CG-CG2 3.81Å
623	F	83.8	Confident	79.7	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.057	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-71.8	120.2	176.8	-172.9	-106.8	0	0	0	110	Y156 F625 A628 M668 Y672	Y156-F623 HydrophobicContact CD1-CE1 4.32Å; Y156-F623 HydrophobicContact CE1-CE1 4.15Å; Y156-F623 HydrophobicContact CE1-CZ 4.04Å; Y156-F623 HydrophobicContact CE2-CE1 4.43Å; F623-F625 HydrophobicContact CB-CE2 4.17Å; F623-F625 AromaticContact CD1-CD1 3.84Å; F623-F625 HydrophobicContact CD1-CD1 3.84Å; F623-F625 AromaticContact CD1-CD2 3.71Å; F623-F625 HydrophobicContact CD1-CD2 3.71Å; F623-F625 AromaticContact CD1-CE1 3.82Å; F623-F625 HydrophobicContact CD1-CE1 3.82Å; F623-F625 AromaticContact CD1-CE2 3.67Å; F623-F625 HydrophobicContact CD1-CE2 3.67Å; F623-F625 AromaticContact CD1-CG 3.81Å; F623-F625 HydrophobicContact CD1-CG 3.81Å; F623-F625 AromaticContact CD1-CZ 3.76Å; F623-F625 HydrophobicContact CD1-CZ 3.76Å; F623-F625 AromaticContact CE1-CD1 3.93Å; F623-F625 HydrophobicContact CE1-CD1 3.93Å; F623-F625 HydrophobicContact CE1-CE1 4.08Å; F623-F625 HydrophobicContact CE1-CG 4.2Å; F623-F625 HydrophobicContact CE1-CZ 4.46Å; F623-F625 HydrophobicContact CG-CE2 4.41Å; F623-F625 VanDerWaalsContact O-CD2 3.27Å; F623-F625 WeakPolarHBondContact O-CD2 3.45Å; F623-F625 PolarHBondContact O-N 3.39Å; F623-A628 HydrophobicContact CE1-CB 3.93Å; F623-A628 HydrophobicContact CE2-CB 4.49Å; F623-A628 HydrophobicContact CZ-CB 3.64Å; F623-M668 HydrophobicContact CD2-CG 4.1Å; F623-M668 HydrophobicContact CE1-SD 4.28Å; F623-M668 HydrophobicContact CE2-CG 4.12Å; F623-M668 HydrophobicContact CG-CG 4.33Å; F623-M668 HydrophobicContact CZ-CG 4.38Å; F623-M668 HydrophobicContact CZ-SD 4.24Å; F623-Y672 HydrophobicContact CB-CD1 3.96Å; F623-Y672 HydrophobicContact CB-CD2 4.32Å; F623-Y672 HydrophobicContact CB-CG 3.86Å; F623-Y672 HydrophobicContact CD2-CD1 4.21Å; F623-Y672 AromaticContact CD2-CD2 3.57Å; F623-Y672 HydrophobicContact CD2-CD2 3.57Å; F623-Y672 HydrophobicContact CD2-CE1 4.16Å; F623-Y672 AromaticContact CD2-CE2 3.49Å; F623-Y672 HydrophobicContact CD2-CE2 3.49Å; F623-Y672 VanDerWaalsContact CD2-CE2 3.49Å; F623-Y672 AromaticContact CD2-CG 3.96Å; F623-Y672 HydrophobicContact CD2-CG 3.96Å; F623-Y672 AromaticContact CD2-CZ 3.82Å; F623-Y672 HydrophobicContact CE2-CD2 4.38Å; F623-Y672 HydrophobicContact CE2-CE2 4.02Å; F623-Y672 HydrophobicContact CG-CD2 4.38Å; F623-Y672 HydrophobicContact CG-CG 4.4Å
624	Q	85.8	Confident	80.5	Confident	44 Å²	44	27.3 Å²	27.3	21%	0.206	13%	0.133	C	C	.	.			trans	-84	81.6	-178.4	-65.8	-65	-27	0	0	110.5	Y501 N516 E622 G626 A627 A628	Y501-Q624 HydrophobicContact CE2-CB 4.37Å; Y501-Q624 HydrophobicContact CE2-CG 4.01Å; N516-Q624 PolarHBondContact OD1-OE1 2.98Å; E622-Q624 PolarHBondContact O-N 2.95Å; Q624-G626 PolarHBondContact O-N 3.38Å; Q624-A627 HydrophobicContact CB-CB 4.49Å; Q624-A627 PolarHBondContact O-N 3.36Å; Q624-A628 PolarHBondContact O-N 3.23Å; Q624-A628 VanDerWaalsContact O-N 3.13Å
625	F	89.1	Confident	81.4	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-53.4	-39.9	-179.6	-74.2	-90.8	0	0	0	112.3	D152 Y156 N516 F623 A627 A628 Y629 M668 T675 L677 I681	D152-F625 HydrophobicContact CB-CE1 4.4Å; D152-F625 HydrophobicContact CB-CZ 4.09Å; Y156-F625 AromaticContact CD2-CD1 3.94Å; Y156-F625 HydrophobicContact CD2-CD1 3.94Å; Y156-F625 HydrophobicContact CD2-CE1 4.36Å; Y156-F625 HydrophobicContact CG-CD1 4.14Å; Y156-F625 HydrophobicContact CG-CE1 4.09Å; N516-F625 PolarHBondContact OD1-N 2.96Å; F623-F625 HydrophobicContact CB-CE2 4.17Å; F623-F625 AromaticContact CD1-CD1 3.84Å; F623-F625 HydrophobicContact CD1-CD1 3.84Å; F623-F625 AromaticContact CD1-CD2 3.71Å; F623-F625 HydrophobicContact CD1-CD2 3.71Å; F623-F625 AromaticContact CD1-CE1 3.82Å; F623-F625 HydrophobicContact CD1-CE1 3.82Å; F623-F625 AromaticContact CD1-CE2 3.67Å; F623-F625 HydrophobicContact CD1-CE2 3.67Å; F623-F625 AromaticContact CD1-CG 3.81Å; F623-F625 HydrophobicContact CD1-CG 3.81Å; F623-F625 AromaticContact CD1-CZ 3.76Å; F623-F625 HydrophobicContact CD1-CZ 3.76Å; F623-F625 AromaticContact CE1-CD1 3.93Å; F623-F625 HydrophobicContact CE1-CD1 3.93Å; F623-F625 HydrophobicContact CE1-CE1 4.08Å; F623-F625 HydrophobicContact CE1-CG 4.2Å; F623-F625 HydrophobicContact CE1-CZ 4.46Å; F623-F625 HydrophobicContact CG-CE2 4.41Å; F623-F625 VanDerWaalsContact O-CD2 3.27Å; F623-F625 WeakPolarHBondContact O-CD2 3.45Å; F623-F625 PolarHBondContact O-N 3.39Å; F625-A627 PolarHBondContact O-N 3.47Å; F625-A628 PolarHBondContact O-N 2.89Å; F625-Y629 HydrophobicContact CB-CD2 4.27Å; F625-Y629 HydrophobicContact CB-CE2 4.31Å; F625-Y629 HydrophobicContact CD1-CE2 4.21Å; F625-Y629 WeakPolarHBondContact O-CB 3.39Å; F625-Y629 WeakPolarHBondContact O-CD2 3.37Å; F625-Y629 PolarHBondContact O-N 3.01Å; F625-M668 HydrophobicContact CE1-CE 4.43Å; F625-M668 HydrophobicContact CZ-CE 4.39Å; F625-T675 WeakPolarHBondContact CE2-OG1 3.13Å; F625-L677 HydrophobicContact CB-CD1 3.87Å; F625-L677 HydrophobicContact CD2-CD1 3.27Å; F625-L677 HydrophobicContact CD2-CG 4.5Å; F625-L677 HydrophobicContact CE2-CD1 3.92Å; F625-L677 HydrophobicContact CG-CD1 3.64Å; F625-I681 HydrophobicContact CB-CD1 4.01Å
626	G	89.1	Confident	82.4	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-48.6	-176.8	0	0	0	0	0	113.5	N516 M520 Q624 A630	N516-G626 VanDerWaalsContact O-CA 3.29Å; N516-G626 WeakPolarHBondContact O-CA 3.23Å; N516-G626 PolarHBondContact OD1-N 3.37Å; N516-G626 VanDerWaalsContact OD1-N 3.08Å; M520-G626 WeakPolarHBondContact CA-O 3.45Å; Q624-G626 PolarHBondContact O-N 3.38Å; G626-A630 WeakPolarHBondContact O-CB 3.4Å; G626-A630 PolarHBondContact O-N 3.02Å
627	A	87.1	Confident	83.5	Confident	19 Å²	19	24.4 Å²	24.4	16%	0.157	12%	0.117	C	C	.	.	H	α-helix	trans	-69.4	-42.5	178	0	0	0	0	0	111.7	Y501 Q624 F625 Y629 A630 W631	Y501-A627 HydrophobicContact CD2-CB 4.29Å; Q624-A627 HydrophobicContact CB-CB 4.49Å; Q624-A627 PolarHBondContact O-N 3.36Å; F625-A627 PolarHBondContact O-N 3.47Å; A627-Y629 PolarHBondContact O-N 3.45Å; A627-A630 PolarHBondContact O-N 2.71Å; A627-W631 VanDerWaalsContact O-CD1 3.31Å; A627-W631 PolarHBondContact O-N 3.45Å; A627-W631 VanDerWaalsContact O-N 3.11Å
628	A	89.6	Confident	84.7	Confident	12 Å²	12	21.2 Å²	21.2	10%	0.099	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-40.7	-179.7	0	0	0	0	0	112.4	Y156 F623 Q624 F625 M632	Y156-A628 HydrophobicContact CE2-CB 4.17Å; F623-A628 HydrophobicContact CE1-CB 3.93Å; F623-A628 HydrophobicContact CE2-CB 4.49Å; F623-A628 HydrophobicContact CZ-CB 3.64Å; Q624-A628 PolarHBondContact O-N 3.23Å; Q624-A628 VanDerWaalsContact O-N 3.13Å; F625-A628 PolarHBondContact O-N 2.89Å; A628-M632 WeakPolarHBondContact O-CB 3.35Å; A628-M632 PolarHBondContact O-N 2.97Å
629	Y	92.1	Very high	86.2	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-50.1	171.9	-86	-62.8	0	0	0	111.6	Y156 F159 M520 F625 A627 W631 M632 M633 H682 A685	Y156-Y629 WeakPolarHBondContact CA-OH 3.32Å; Y156-Y629 HydrophobicContact CD2-CD1 4.1Å; Y156-Y629 HydrophobicContact CD2-CD2 4.1Å; Y156-Y629 AromaticContact CD2-CE1 3.61Å; Y156-Y629 HydrophobicContact CD2-CE1 3.61Å; Y156-Y629 AromaticContact CD2-CE2 3.61Å; Y156-Y629 HydrophobicContact CD2-CE2 3.61Å; Y156-Y629 HydrophobicContact CD2-CG 4.31Å; Y156-Y629 AromaticContact CD2-CZ 3.34Å; Y156-Y629 AromaticContact CE2-CD1 3.93Å; Y156-Y629 HydrophobicContact CE2-CD1 3.93Å; Y156-Y629 HydrophobicContact CE2-CD2 4.2Å; Y156-Y629 AromaticContact CE2-CE1 3.9Å; Y156-Y629 HydrophobicContact CE2-CE1 3.9Å; Y156-Y629 HydrophobicContact CE2-CE2 4.18Å; Y156-Y629 HydrophobicContact CE2-CG 4.06Å; F159-Y629 HydrophobicContact CB-CE1 4.45Å; F159-Y629 HydrophobicContact CD1-CD1 4.13Å; F159-Y629 AromaticContact CD1-CE1 3.61Å; F159-Y629 HydrophobicContact CD1-CE1 3.61Å; F159-Y629 AromaticContact CE1-CD1 3.85Å; F159-Y629 HydrophobicContact CE1-CD1 3.85Å; F159-Y629 AromaticContact CE1-CE1 3.76Å; F159-Y629 HydrophobicContact CE1-CE1 3.76Å; F159-Y629 AromaticContact CG-CE1 3.99Å; F159-Y629 HydrophobicContact CG-CE1 3.99Å; F159-Y629 HydrophobicContact CZ-CD1 4.34Å; F159-Y629 HydrophobicContact CZ-CE1 4.26Å; M520-Y629 HydrophobicContact SD-CD2 4.21Å; M520-Y629 HydrophobicContact SD-CG 4.14Å; F625-Y629 HydrophobicContact CB-CD2 4.27Å; F625-Y629 HydrophobicContact CB-CE2 4.31Å; F625-Y629 HydrophobicContact CD1-CE2 4.21Å; F625-Y629 WeakPolarHBondContact O-CB 3.39Å; F625-Y629 WeakPolarHBondContact O-CD2 3.37Å; F625-Y629 PolarHBondContact O-N 3.01Å; A627-Y629 PolarHBondContact O-N 3.45Å; Y629-W631 PolarHBondContact O-N 3.19Å; Y629-M632 HydrophobicContact CD1-CE 3.65Å; Y629-M632 HydrophobicContact CE1-CE 4.14Å; Y629-M632 PolarHBondContact O-N 3.37Å; Y629-M633 WeakPolarHBondContact O-CB 3.2Å; Y629-M633 WeakPolarHBondContact O-CE 3.09Å; Y629-M633 WeakPolarHBondContact O-CG 3.44Å; Y629-M633 PolarHBondContact O-N 3.06Å; Y629-H682 AromaticContact CZ-ND1 3.84Å; Y629-H682 PolarHBondContact OH-CE1 3.4Å; Y629-H682 VanDerWaalsContact OH-CE1 3.23Å; Y629-H682 PolarHBondContact OH-ND1 2.93Å; Y629-A685 HydrophobicContact CD1-CB 3.68Å; Y629-A685 HydrophobicContact CE1-CB 3.81Å; Y629-A685 HydrophobicContact CG-CB 4.08Å
630	A	91.1	Very high	87.8	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-45.6	-174.9	0	0	0	0	0	112.9	C523 G626 A627 C634	C523-A630 HydrophobicContact CB-CB 3.58Å; G626-A630 WeakPolarHBondContact O-CB 3.4Å; G626-A630 PolarHBondContact O-N 3.02Å; A627-A630 PolarHBondContact O-N 2.71Å; A630-C634 VanDerWaalsContact O-CB 3.3Å; A630-C634 WeakPolarHBondContact O-CB 3.35Å; A630-C634 PolarHBondContact O-N 2.9Å
631	W	87.6	Confident	89.1	Confident	90 Å²	90	14.9 Å²	14.9	34%	0.341	7%	0.068	S	C	.	.	H	α-helix	trans	-64.8	-49.6	178.6	-85.5	108.4	0	0	0	113.2	P497 L527 A627 Y629 M633 C634 V635	P497-W631 HydrophobicContact CB-CH2 3.95Å; P497-W631 HydrophobicContact CB-CZ2 3.12Å; P497-W631 HydrophobicContact CG-CH2 3.43Å; P497-W631 VanDerWaalsContact CG-CH2 3.43Å; P497-W631 HydrophobicContact CG-CZ2 3.15Å; L527-W631 HydrophobicContact CD1-CD2 3.78Å; L527-W631 HydrophobicContact CD1-CE3 3.99Å; L527-W631 HydrophobicContact CD1-CG 4.13Å; L527-W631 HydrophobicContact CD2-CH2 4.32Å; L527-W631 HydrophobicContact CD2-CZ3 4.33Å; A627-W631 VanDerWaalsContact O-CD1 3.31Å; A627-W631 PolarHBondContact O-N 3.45Å; A627-W631 VanDerWaalsContact O-N 3.11Å; Y629-W631 PolarHBondContact O-N 3.19Å; W631-M633 VanDerWaalsContact C-N 3.34Å; W631-M633 PolarHBondContact O-N 3.17Å; W631-C634 WeakPolarHBondContact O-CB 3.29Å; W631-C634 PolarHBondContact O-N 3.27Å; W631-V635 PolarHBondContact O-N 2.79Å; W631-V635 VanDerWaalsContact O-N 3.07Å
632	M	92.2	Very high	90	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.7	-45.8	178.2	172.6	-174.8	46.9	0	0	111.2	Y156 F159 Q160 A628 Y629 C634 V635 F636 M657	Y156-M632 HydrophobicContact CE2-CE 3.89Å; F159-M632 HydrophobicContact CD1-CE 3.62Å; F159-M632 HydrophobicContact CD1-SD 4.31Å; F159-M632 HydrophobicContact CE1-CE 3.42Å; F159-M632 VanDerWaalsContact CE1-CE 3.42Å; F159-M632 HydrophobicContact CE1-SD 4.28Å; Q160-M632 HydrophobicContact CG-CE 4.34Å; Q160-M632 HydrophobicContact CG-SD 3.45Å; Q160-M632 WeakPolarHBondContact CG-SD 3.25Å; A628-M632 WeakPolarHBondContact O-CB 3.35Å; A628-M632 PolarHBondContact O-N 2.97Å; Y629-M632 HydrophobicContact CD1-CE 3.65Å; Y629-M632 HydrophobicContact CE1-CE 4.14Å; Y629-M632 PolarHBondContact O-N 3.37Å; M632-C634 VanDerWaalsContact C-N 3.33Å; M632-C634 PolarHBondContact O-N 3.24Å; M632-V635 PolarHBondContact O-N 3.05Å; M632-F636 WeakPolarHBondContact O-CB 3.23Å; M632-F636 PolarHBondContact O-N 3.09Å; M632-M657 HydrophobicContact CG-CE 3.66Å; M632-M657 HydrophobicContact CG-SD 3.75Å; M632-M657 HydrophobicContact SD-CE 3.66Å; M632-M657 HydrophobicContact SD-SD 4.5Å
633	M	92.6	Very high	90.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.9	-35.3	177.5	-67.8	-174.8	-57.1	0	0	111.7	F159 M520 Y524 Y629 W631 F636 T637 A685 Q688 V689	F159-M633 HydrophobicContact CE1-CG 4.44Å; F159-M633 HydrophobicContact CZ-CG 4.32Å; F159-M633 HydrophobicContact CZ-SD 4.26Å; M520-M633 HydrophobicContact CG-CE 3.87Å; M520-M633 HydrophobicContact SD-CE 4.08Å; Y524-M633 HydrophobicContact CD2-CB 3.84Å; Y524-M633 HydrophobicContact CD2-CE 4.31Å; Y524-M633 HydrophobicContact CE2-CB 3.66Å; Y629-M633 WeakPolarHBondContact O-CB 3.2Å; Y629-M633 WeakPolarHBondContact O-CE 3.09Å; Y629-M633 WeakPolarHBondContact O-CG 3.44Å; Y629-M633 PolarHBondContact O-N 3.06Å; W631-M633 VanDerWaalsContact C-N 3.34Å; W631-M633 PolarHBondContact O-N 3.17Å; M633-F636 PolarHBondContact O-N 3.44Å; M633-T637 WeakPolarHBondContact O-CB 3.29Å; M633-T637 PolarHBondContact O-N 3.36Å; M633-T637 PolarHBondContact O-OG1 3.33Å; M633-A685 HydrophobicContact CE-CB 4.47Å; M633-A685 HydrophobicContact SD-CB 4Å; M633-Q688 HydrophobicContact CE-CB 4.2Å; M633-Q688 VanDerWaalsContact CE-OE1 3.24Å; M633-Q688 HydrophobicContact SD-CB 4.05Å; M633-V689 HydrophobicContact CG-CG2 3.7Å; M633-V689 HydrophobicContact SD-CG2 3.67Å
634	C	91.3	Very high	91	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-61.1	-52.5	175.5	-178.4	0	0	0	0	111.6	L527 A630 W631 M632 F636 T637 V638	L527-C634 HydrophobicContact CB-CB 4.17Å; L527-C634 HydrophobicContact CD1-CB 4.27Å; A630-C634 VanDerWaalsContact O-CB 3.3Å; A630-C634 WeakPolarHBondContact O-CB 3.35Å; A630-C634 PolarHBondContact O-N 2.9Å; W631-C634 WeakPolarHBondContact O-CB 3.29Å; W631-C634 PolarHBondContact O-N 3.27Å; M632-C634 VanDerWaalsContact C-N 3.33Å; M632-C634 PolarHBondContact O-N 3.24Å; C634-F636 VanDerWaalsContact C-N 3.31Å; C634-F636 PolarHBondContact O-N 2.58Å; C634-T637 WeakPolarHBondContact O-CB 3.39Å; C634-T637 PolarHBondContact O-N 3.18Å; C634-T637 VanDerWaalsContact O-N 3.09Å; C634-V638 WeakPolarHBondContact O-CG2 3.43Å; C634-V638 PolarHBondContact O-N 3.15Å
635	V	92	Very high	91.1	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.036	C	C	.	.	H	α-helix	trans	-61.7	-42	178.4	178.1	0	0	0	0	110.6	W631 M632 T637 V638 V639 Y656	W631-V635 PolarHBondContact O-N 2.79Å; W631-V635 VanDerWaalsContact O-N 3.07Å; M632-V635 PolarHBondContact O-N 3.05Å; V635-T637 VanDerWaalsContact C-N 3.34Å; V635-T637 PolarHBondContact O-N 3.01Å; V635-V638 PolarHBondContact O-N 3.34Å; V635-V639 HydrophobicContact CG1-CG2 4.39Å; V635-V639 VanDerWaalsContact O-CG2 3.27Å; V635-V639 WeakPolarHBondContact O-CG2 3.12Å; V635-V639 PolarHBondContact O-N 3.21Å; V635-Y656 HydrophobicContact CB-CD1 4.06Å; V635-Y656 HydrophobicContact CB-CE1 3.65Å; V635-Y656 HydrophobicContact CB-CE2 4.46Å; V635-Y656 HydrophobicContact CG1-CD1 3.52Å; V635-Y656 HydrophobicContact CG1-CD2 4.16Å; V635-Y656 HydrophobicContact CG1-CE1 3.67Å; V635-Y656 HydrophobicContact CG1-CE2 4.31Å; V635-Y656 HydrophobicContact CG1-CG 3.8Å; V635-Y656 HydrophobicContact CG2-CE1 4.09Å; V635-Y656 HydrophobicContact CG2-CE2 4.09Å
636	F	95	Very high	91	Very high	1 Å²	1	7.1 Å²	7.1	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-57.9	-44.5	172.9	174.5	-100.5	0	0	0	112.2	I163 L166 L167 M632 M633 C634 V638 V639 M640 V689 A692	I163-F636 HydrophobicContact CG2-CD2 3.45Å; I163-F636 VanDerWaalsContact CG2-CD2 3.45Å; I163-F636 HydrophobicContact CG2-CE2 3.75Å; I163-F636 HydrophobicContact CG2-CG 4.15Å; L166-F636 HydrophobicContact CD2-CE2 4.03Å; L166-F636 HydrophobicContact CD2-CZ 3.61Å; L167-F636 HydrophobicContact CD1-CD2 4.23Å; L167-F636 HydrophobicContact CD2-CD2 4.1Å; L167-F636 HydrophobicContact CD2-CE2 3.95Å; L167-F636 HydrophobicContact CG-CD2 4.12Å; L167-F636 HydrophobicContact CG-CE2 4.03Å; M632-F636 WeakPolarHBondContact O-CB 3.23Å; M632-F636 PolarHBondContact O-N 3.09Å; M633-F636 PolarHBondContact O-N 3.44Å; C634-F636 VanDerWaalsContact C-N 3.31Å; C634-F636 PolarHBondContact O-N 2.58Å; F636-V638 PolarHBondContact O-N 3.28Å; F636-V639 PolarHBondContact O-N 3.48Å; F636-M640 HydrophobicContact CD1-CG 4.09Å; F636-M640 HydrophobicContact CD2-CG 4.07Å; F636-M640 HydrophobicContact CE1-CG 3.56Å; F636-M640 HydrophobicContact CE2-CG 3.55Å; F636-M640 HydrophobicContact CE2-SD 3.82Å; F636-M640 HydrophobicContact CG-CG 4.32Å; F636-M640 HydrophobicContact CZ-CG 3.27Å; F636-M640 HydrophobicContact CZ-SD 3.74Å; F636-M640 WeakPolarHBondContact O-CB 3.35Å; F636-M640 WeakPolarHBondContact O-CG 3.16Å; F636-M640 PolarHBondContact O-N 2.95Å; F636-V689 HydrophobicContact CD1-CG1 4.24Å; F636-V689 HydrophobicContact CE1-CG1 3.68Å; F636-V689 HydrophobicContact CZ-CG1 4.38Å; F636-A692 HydrophobicContact CD1-CB 4.03Å; F636-A692 HydrophobicContact CE1-CB 3.78Å
637	T	93.8	Very high	91.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.3	-40.1	177.1	-65.5	0	0	0	0	112.2	Y524 I528 L532 M633 C634 V635 M640 T641 A692 L695	Y524-T637 PolarHBondContact OH-OG1 3.3Å; I528-T637 HydrophobicContact CD1-CG2 3.89Å; I528-T637 HydrophobicContact CG1-CG2 4.38Å; L532-T637 HydrophobicContact CD2-CG2 4.4Å; M633-T637 WeakPolarHBondContact O-CB 3.29Å; M633-T637 PolarHBondContact O-N 3.36Å; M633-T637 PolarHBondContact O-OG1 3.33Å; C634-T637 WeakPolarHBondContact O-CB 3.39Å; C634-T637 PolarHBondContact O-N 3.18Å; C634-T637 VanDerWaalsContact O-N 3.09Å; V635-T637 VanDerWaalsContact C-N 3.34Å; V635-T637 PolarHBondContact O-N 3.01Å; T637-M640 PolarHBondContact O-N 3.04Å; T637-T641 VanDerWaalsContact O-CB 3.27Å; T637-T641 WeakPolarHBondContact O-CB 3.18Å; T637-T641 PolarHBondContact O-N 3.24Å; T637-T641 PolarHBondContact O-OG1 3Å; T637-A692 HydrophobicContact CG2-CB 4.15Å; T637-A692 WeakPolarHBondContact OG1-CB 3.48Å; T637-L695 HydrophobicContact CG2-CD1 3.69Å
638	V	91.3	Very high	91.4	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-61	-49.6	174.3	173	0	0	0	0	110.4	V531 L532 F574 V578 C634 V635 F636 M640 T641 Y642 I649	V531-V638 HydrophobicContact CG1-CG2 4.19Å; L532-V638 HydrophobicContact CD1-CB 4.45Å; L532-V638 HydrophobicContact CD1-CG2 3.99Å; F574-V638 HydrophobicContact CB-CG1 4.4Å; F574-V638 HydrophobicContact CD1-CG1 3.73Å; F574-V638 HydrophobicContact CE1-CG1 4.44Å; F574-V638 HydrophobicContact CG-CG1 4.35Å; V578-V638 HydrophobicContact CG2-CG1 4.18Å; C634-V638 WeakPolarHBondContact O-CG2 3.43Å; C634-V638 PolarHBondContact O-N 3.15Å; V635-V638 PolarHBondContact O-N 3.34Å; F636-V638 PolarHBondContact O-N 3.28Å; V638-M640 PolarHBondContact O-N 2.75Å; V638-T641 PolarHBondContact O-N 3.4Å; V638-Y642 HydrophobicContact CG1-CD2 4.49Å; V638-Y642 PolarHBondContact O-N 3.09Å; V638-Y642 VanDerWaalsContact O-N 3.09Å; V638-I649 HydrophobicContact CG1-CD1 4.11Å
639	V	94.8	Very high	91.5	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-60.5	-46	178.7	173.7	0	0	0	0	110.9	L167 V578 V635 F636 S643 I649 V650	L167-V639 HydrophobicContact CD2-CG1 3.81Å; V578-V639 HydrophobicContact CG1-CG2 4.16Å; V578-V639 HydrophobicContact CG2-CG2 4.04Å; V635-V639 HydrophobicContact CG1-CG2 4.39Å; V635-V639 VanDerWaalsContact O-CG2 3.27Å; V635-V639 WeakPolarHBondContact O-CG2 3.12Å; V635-V639 PolarHBondContact O-N 3.21Å; F636-V639 PolarHBondContact O-N 3.48Å; V639-S643 WeakPolarHBondContact O-CA 3.18Å; V639-S643 VanDerWaalsContact O-CB 3.24Å; V639-S643 WeakPolarHBondContact O-CB 3.31Å; V639-S643 PolarHBondContact O-N 3.23Å; V639-I649 HydrophobicContact CG2-CG1 4.41Å; V639-V650 HydrophobicContact CG1-CB 4.49Å; V639-V650 HydrophobicContact CG1-CG2 4.3Å
640	M	94.1	Very high	91.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.5	-44	178.2	-74.5	-56.9	-61.8	0	0	112.2	L167 V170 Y220 F636 T637 V638 Y642 S643 A692 C696	L167-M640 HydrophobicContact CD2-SD 4.37Å; V170-M640 HydrophobicContact CG1-SD 4.29Å; V170-M640 HydrophobicContact CG2-CE 4.33Å; V170-M640 HydrophobicContact CG2-SD 4.31Å; Y220-M640 HydrophobicContact CD2-CE 4.09Å; Y220-M640 HydrophobicContact CG-CE 4.33Å; F636-M640 HydrophobicContact CD1-CG 4.09Å; F636-M640 HydrophobicContact CD2-CG 4.07Å; F636-M640 HydrophobicContact CE1-CG 3.56Å; F636-M640 HydrophobicContact CE2-CG 3.55Å; F636-M640 HydrophobicContact CE2-SD 3.82Å; F636-M640 HydrophobicContact CG-CG 4.32Å; F636-M640 HydrophobicContact CZ-CG 3.27Å; F636-M640 HydrophobicContact CZ-SD 3.74Å; F636-M640 WeakPolarHBondContact O-CB 3.35Å; F636-M640 WeakPolarHBondContact O-CG 3.16Å; F636-M640 PolarHBondContact O-N 2.95Å; T637-M640 PolarHBondContact O-N 3.04Å; V638-M640 PolarHBondContact O-N 2.75Å; M640-Y642 VanDerWaalsContact C-N 3.31Å; M640-Y642 PolarHBondContact O-N 2.91Å; M640-S643 WeakPolarHBondContact O-CB 3.41Å; M640-S643 PolarHBondContact O-N 2.8Å; M640-S643 PolarHBondContact O-OG 3.32Å; M640-A692 HydrophobicContact CB-CB 4.2Å; M640-A692 HydrophobicContact CG-CB 4.38Å; M640-C696 PolarHBondContact O-SG 3.41Å; M640-C696 VanDerWaalsContact O-SG 3.33Å
641	T	91.1	Very high	91.8	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.05	C	C	.	.	H	α-helix	trans	-60.6	-42.2	-179.7	-58	0	0	0	0	111.3	L532 T637 V638 W699	L532-T641 HydrophobicContact CD1-CG2 4.24Å; L532-T641 HydrophobicContact CD2-CG2 4.38Å; T637-T641 VanDerWaalsContact O-CB 3.27Å; T637-T641 WeakPolarHBondContact O-CB 3.18Å; T637-T641 PolarHBondContact O-N 3.24Å; T637-T641 PolarHBondContact O-OG1 3Å; V638-T641 PolarHBondContact O-N 3.4Å; T641-W699 HydrophobicContact CG2-CB 3.75Å; T641-W699 HydrophobicContact CG2-CD2 4.32Å; T641-W699 HydrophobicContact CG2-CG 3.65Å
642	Y	89.8	Confident	92.2	Very high	10 Å²	10	7.7 Å²	7.7	4%	0.039	4%	0.042	C	C	.	.	H	α-helix	trans	-92.6	-2.5	-179.6	-76	-85.1	0	0	0	114.4	L532 S536 F574 V638 M640 I644 T645 C646 W699	L532-Y642 HydrophobicContact CD1-CD2 4.27Å; L532-Y642 HydrophobicContact CD1-CE2 3.79Å; S536-Y642 PolarHBondContact OG-OH 2.94Å; F574-Y642 HydrophobicContact CB-CD2 4.4Å; F574-Y642 HydrophobicContact CD1-CE2 4.31Å; F574-Y642 HydrophobicContact CD2-CD2 4.13Å; F574-Y642 HydrophobicContact CD2-CE1 4.01Å; F574-Y642 AromaticContact CD2-CE2 3.42Å; F574-Y642 HydrophobicContact CD2-CE2 3.42Å; F574-Y642 VanDerWaalsContact CD2-CE2 3.42Å; F574-Y642 AromaticContact CD2-CZ 3.36Å; F574-Y642 WeakPolarHBondContact CD2-OH 3.31Å; F574-Y642 HydrophobicContact CE1-CE2 4.44Å; F574-Y642 HydrophobicContact CE2-CE1 4.47Å; F574-Y642 AromaticContact CE2-CE2 3.62Å; F574-Y642 HydrophobicContact CE2-CE2 3.62Å; F574-Y642 AromaticContact CE2-CZ 3.5Å; F574-Y642 VanDerWaalsContact CE2-CZ 3.5Å; F574-Y642 WeakPolarHBondContact CE2-OH 3.3Å; F574-Y642 HydrophobicContact CG-CD2 4.16Å; F574-Y642 AromaticContact CG-CE2 3.82Å; F574-Y642 HydrophobicContact CG-CE2 3.82Å; F574-Y642 HydrophobicContact CZ-CE2 4.14Å; V638-Y642 HydrophobicContact CG1-CD2 4.49Å; V638-Y642 PolarHBondContact O-N 3.09Å; V638-Y642 VanDerWaalsContact O-N 3.09Å; M640-Y642 VanDerWaalsContact C-N 3.31Å; M640-Y642 PolarHBondContact O-N 2.91Å; Y642-I644 PolarHBondContact O-N 2.84Å; Y642-I644 VanDerWaalsContact O-N 3.09Å; Y642-T645 WeakPolarHBondContact CA-OG1 3.43Å; Y642-T645 VanDerWaalsContact CD1-OG1 3.29Å; Y642-T645 WeakPolarHBondContact CD1-OG1 3.25Å; Y642-T645 PolarHBondContact O-N 3.38Å; Y642-T645 PolarHBondContact O-OG1 2.82Å; Y642-C646 CarbonylContact O-C 3.48Å; Y642-C646 WeakPolarHBondContact O-CA 3.14Å; Y642-C646 PolarHBondContact O-N 3.41Å; Y642-W699 AromaticContact CE1-NE1 3.86Å; Y642-W699 AromaticContact CZ-NE1 3.69Å
643	S	92.5	Very high	92.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.1	-176.2	63.1	0	0	0	0	114.7	S174 Y220 V639 M640 P647	S174-S643 PolarHBondContact OG-O 2.97Å; Y220-S643 WeakPolarHBondContact CE2-OG 3.5Å; V639-S643 WeakPolarHBondContact O-CA 3.18Å; V639-S643 VanDerWaalsContact O-CB 3.24Å; V639-S643 WeakPolarHBondContact O-CB 3.31Å; V639-S643 PolarHBondContact O-N 3.23Å; M640-S643 WeakPolarHBondContact O-CB 3.41Å; M640-S643 PolarHBondContact O-N 2.8Å; M640-S643 PolarHBondContact O-OG 3.32Å; S643-P647 WeakPolarHBondContact O-CA 3.49Å
644	I	90.1	Very high	92.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-41	-179.4	-64.7	175.1	0	0	0	110.8	I178 H213 A217 Y220 Y642 L700	I178-I644 HydrophobicContact CD1-CG1 4.06Å; I178-I644 HydrophobicContact CD1-CG2 4.48Å; H213-I644 HydrophobicContact CB-CG2 3.72Å; A217-I644 HydrophobicContact CB-CD1 3.5Å; Y220-I644 HydrophobicContact CD2-CD1 3.94Å; Y220-I644 HydrophobicContact CD2-CG1 4.1Å; Y220-I644 HydrophobicContact CE2-CD1 4.07Å; Y220-I644 HydrophobicContact CE2-CG1 3.76Å; Y642-I644 PolarHBondContact O-N 2.84Å; Y642-I644 VanDerWaalsContact O-N 3.09Å; I644-L700 HydrophobicContact CB-CD1 4.25Å; I644-L700 HydrophobicContact CB-CD2 4.32Å; I644-L700 HydrophobicContact CD1-CD1 3.78Å; I644-L700 HydrophobicContact CG2-CD1 4Å; I644-L700 HydrophobicContact CG2-CD2 3.83Å
645	T	86.7	Confident	92.7	Very high	11 Å²	11	13.7 Å²	13.7	7%	0.067	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-37.4	-179.1	56	0	0	0	0	112.4	T199 I200 Y642 L700	T199-T645 VanDerWaalsContact CA-O 3.23Å; T199-T645 WeakPolarHBondContact CA-O 3.21Å; T199-T645 WeakPolarHBondContact CB-O 3.37Å; I200-T645 HydrophobicContact CG2-CG2 4.1Å; I200-T645 PolarHBondContact N-O 3.48Å; Y642-T645 WeakPolarHBondContact CA-OG1 3.43Å; Y642-T645 VanDerWaalsContact CD1-OG1 3.29Å; Y642-T645 WeakPolarHBondContact CD1-OG1 3.25Å; Y642-T645 PolarHBondContact O-N 3.38Å; Y642-T645 PolarHBondContact O-OG1 2.82Å; T645-L700 HydrophobicContact CG2-CD2 3.74Å
646	C	88.4	Confident	92.9	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	7%	0.074	C	C	.	.			trans	-136.7	83.4	176	-176.6	0	0	0	0	110.4	F195 T199 Y642 I648 I649	F195-C646 VanDerWaalsContact CZ-SG 3.55Å; T199-C646 HydrophobicContact CG2-CB 4.23Å; Y642-C646 CarbonylContact O-C 3.48Å; Y642-C646 WeakPolarHBondContact O-CA 3.14Å; Y642-C646 PolarHBondContact O-N 3.41Å; C646-I648 PolarHBondContact O-N 2.95Å; C646-I649 WeakPolarHBondContact O-CG2 3.32Å; C646-I649 PolarHBondContact O-N 3.38Å; C646-I649 VanDerWaalsContact O-N 3.17Å
647	P	92	Very high	92.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-25	-175.7	-30.7	38.4	0	0	0	116.1	I178 L179 S643 I649 V650	I178-P647 HydrophobicContact CB-CG 4.03Å; I178-P647 HydrophobicContact CG2-CG 3.65Å; L179-P647 HydrophobicContact CB-CB 4.03Å; L179-P647 HydrophobicContact CB-CG 4.34Å; S643-P647 WeakPolarHBondContact O-CA 3.49Å; P647-I649 PolarHBondContact O-N 2.92Å; P647-V650 PolarHBondContact O-N 2.95Å; P647-V650 VanDerWaalsContact O-N 3.16Å
648	I	90.6	Very high	93	Very high	29 Å²	29	17.7 Å²	17.7	15%	0.149	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.8	-179.4	-66.8	-178.6	0	0	0	112.5	F41 L179 T198 C646 V650 P651 F652	F41-I648 HydrophobicContact CE1-CD1 4.47Å; F41-I648 HydrophobicContact CZ-CD1 3.85Å; L179-I648 HydrophobicContact CD1-CD1 4.35Å; L179-I648 HydrophobicContact CD1-CG1 4.07Å; L179-I648 HydrophobicContact CD2-CG1 4.45Å; T198-I648 VanDerWaalsContact CB-CD1 3.49Å; T198-I648 HydrophobicContact CG2-CD1 3.44Å; T198-I648 VanDerWaalsContact CG2-CD1 3.44Å; C646-I648 PolarHBondContact O-N 2.95Å; I648-V650 VanDerWaalsContact C-N 3.25Å; I648-V650 PolarHBondContact O-N 3.39Å; I648-P651 WeakPolarHBondContact O-CD 3.48Å; I648-F652 HydrophobicContact CG2-CD2 4.33Å; I648-F652 HydrophobicContact CG2-CE2 3.81Å; I648-F652 VanDerWaalsContact O-CD2 3.24Å; I648-F652 WeakPolarHBondContact O-CD2 3.49Å
649	I	92.6	Very high	93.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-27.1	177.1	-159	170.6	0	0	0	112.9	F574 V575 V578 V638 V639 C646 P647 F652 G653	F574-I649 HydrophobicContact CB-CD1 4.04Å; V575-I649 HydrophobicContact CG2-CB 3.94Å; V575-I649 HydrophobicContact CG2-CG1 4.17Å; V578-I649 HydrophobicContact CB-CG1 4.33Å; V578-I649 HydrophobicContact CG2-CD1 3.89Å; V578-I649 HydrophobicContact CG2-CG1 3.95Å; V638-I649 HydrophobicContact CG1-CD1 4.11Å; V639-I649 HydrophobicContact CG2-CG1 4.41Å; C646-I649 WeakPolarHBondContact O-CG2 3.32Å; C646-I649 PolarHBondContact O-N 3.38Å; C646-I649 VanDerWaalsContact O-N 3.17Å; P647-I649 PolarHBondContact O-N 2.92Å; I649-F652 PolarHBondContact O-N 2.98Å; I649-G653 PolarHBondContact O-N 3.47Å
650	V	95.1	Very high	93.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-69	-46.3	-170.6	-174.4	0	0	0	0	113.1	L167 V170 G171 V639 P647 I648 F652 G653 L654	L167-V650 HydrophobicContact CD2-CG1 4.43Å; V170-V650 HydrophobicContact CG1-CG1 4.13Å; V170-V650 HydrophobicContact CG1-CG2 4.38Å; G171-V650 VanDerWaalsContact CA-CG1 3.45Å; V639-V650 HydrophobicContact CG1-CB 4.49Å; V639-V650 HydrophobicContact CG1-CG2 4.3Å; P647-V650 PolarHBondContact O-N 2.95Å; P647-V650 VanDerWaalsContact O-N 3.16Å; I648-V650 VanDerWaalsContact C-N 3.25Å; I648-V650 PolarHBondContact O-N 3.39Å; V650-F652 VanDerWaalsContact C-N 3.31Å; V650-F652 PolarHBondContact O-N 3.04Å; V650-G653 CarbonylContact O-C 3.6Å; V650-G653 PolarHBondContact O-N 3.4Å; V650-G653 VanDerWaalsContact O-N 3.15Å; V650-L654 PolarHBondContact O-N 2.91Å
651	P	95.4	Very high	93.1	Very high	59 Å²	59	20.6 Å²	20.6	38%	0.383	11%	0.107	S	C	.	.	H	α-helix	trans	-55.5	-41.7	173	-28.5	35.3	0	0	0	113.9	V175 I648 L654 M655	V175-P651 HydrophobicContact CG2-CG 3.68Å; I648-P651 WeakPolarHBondContact O-CD 3.48Å; P651-L654 PolarHBondContact O-N 3.24Å; P651-M655 PolarHBondContact O-N 3.37Å
652	F	94.4	Very high	93.1	Very high	43 Å²	43	22.6 Å²	22.6	19%	0.189	12%	0.117	C	C	.	.	H	α-helix	trans	-70.5	-35	176.9	-61.9	-64.2	0	0	0	111.9	V44 L48 V575 V578 I579 I648 I649 V650 M655 Y656	V44-F652 HydrophobicContact CG1-CE2 4.42Å; V44-F652 HydrophobicContact CG1-CZ 4.5Å; L48-F652 HydrophobicContact CD1-CE1 3.96Å; L48-F652 HydrophobicContact CD2-CE1 4.08Å; L48-F652 HydrophobicContact CD2-CZ 4.38Å; V575-F652 HydrophobicContact CG1-CD2 3.88Å; V575-F652 HydrophobicContact CG1-CE2 3.99Å; V578-F652 HydrophobicContact CG1-CB 4.03Å; I579-F652 HydrophobicContact CD1-CD1 4.02Å; I579-F652 HydrophobicContact CD1-CD2 4.07Å; I579-F652 HydrophobicContact CD1-CE1 3.95Å; I579-F652 HydrophobicContact CD1-CE2 4.01Å; I579-F652 HydrophobicContact CD1-CG 4.08Å; I579-F652 HydrophobicContact CD1-CZ 3.94Å; I579-F652 HydrophobicContact CG1-CB 4.02Å; I579-F652 HydrophobicContact CG1-CD1 3.61Å; I579-F652 HydrophobicContact CG1-CD2 4.09Å; I579-F652 HydrophobicContact CG1-CE1 4.04Å; I579-F652 HydrophobicContact CG1-CE2 4.47Å; I579-F652 HydrophobicContact CG1-CG 3.64Å; I579-F652 HydrophobicContact CG1-CZ 4.45Å; I648-F652 HydrophobicContact CG2-CD2 4.33Å; I648-F652 HydrophobicContact CG2-CE2 3.81Å; I648-F652 VanDerWaalsContact O-CD2 3.24Å; I648-F652 WeakPolarHBondContact O-CD2 3.49Å; I649-F652 PolarHBondContact O-N 2.98Å; V650-F652 VanDerWaalsContact C-N 3.31Å; V650-F652 PolarHBondContact O-N 3.04Å; F652-M655 WeakPolarHBondContact O-CB 3.44Å; F652-M655 PolarHBondContact O-N 2.77Å; F652-Y656 PolarHBondContact O-N 2.98Å
653	G	95.4	Very high	93.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-38.7	170.5	0	0	0	0	0	113.4	I649 V650 Y656 M657	I649-G653 PolarHBondContact O-N 3.47Å; V650-G653 CarbonylContact O-C 3.6Å; V650-G653 PolarHBondContact O-N 3.4Å; V650-G653 VanDerWaalsContact O-N 3.15Å; G653-Y656 WeakPolarHBondContact O-CB 3.39Å; G653-Y656 PolarHBondContact O-N 3.45Å; G653-M657 WeakPolarHBondContact O-CG 3.44Å; G653-M657 PolarHBondContact O-N 3.41Å
654	L	96.6	Very high	93.1	Very high	39 Å²	39	22.8 Å²	22.8	20%	0.204	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-43.8	173.1	179.4	64.3	0	0	0	110.9	I164 L167 V168 V650 P651 Y656 M657 L658	I164-L654 HydrophobicContact CG2-CD1 4.07Å; L167-L654 HydrophobicContact CB-CD1 4.1Å; V168-L654 HydrophobicContact CG2-CD1 3.7Å; V168-L654 HydrophobicContact CG2-CD2 4Å; V650-L654 PolarHBondContact O-N 2.91Å; P651-L654 PolarHBondContact O-N 3.24Å; L654-Y656 VanDerWaalsContact C-N 3.34Å; L654-Y656 PolarHBondContact O-N 2.89Å; L654-M657 PolarHBondContact O-N 3.17Å; L654-L658 HydrophobicContact CD1-CD1 4.43Å; L654-L658 HydrophobicContact CD1-CG 4.41Å; L654-L658 HydrophobicContact CG-CD1 4.12Å; L654-L658 WeakPolarHBondContact O-CG 3.35Å; L654-L658 PolarHBondContact O-N 3.32Å
655	M	95.8	Very high	93.1	Very high	86 Å²	86	25 Å²	25	42%	0.424	13%	0.129	S	C	.	.	H	α-helix	trans	-57.6	-46.2	173.7	-172.5	68.7	73.1	0	0	111.5	F583 P651 F652 M657 L658 L659	F583-M655 HydrophobicContact CZ-CG 4.4Å; P651-M655 PolarHBondContact O-N 3.37Å; F652-M655 WeakPolarHBondContact O-CB 3.44Å; F652-M655 PolarHBondContact O-N 2.77Å; M655-M657 PolarHBondContact O-N 3.26Å; M655-L658 PolarHBondContact O-N 3.38Å; M655-L659 HydrophobicContact CG-CD1 4.08Å; M655-L659 WeakPolarHBondContact O-CG 3.44Å; M655-L659 PolarHBondContact O-N 3.2Å; M655-L659 HydrophobicContact SD-CD1 4.44Å
656	Y	95.7	Very high	93.1	Very high	11 Å²	11	24.6 Å²	24.6	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-54.4	-51.7	174.5	168.4	-93.5	0	0	0	111.5	A582 N586 V635 F652 G653 L654 L658 L659 K660	A582-Y656 HydrophobicContact CB-CD2 4.48Å; N586-Y656 PolarHBondContact ND2-O 2.68Å; V635-Y656 HydrophobicContact CB-CD1 4.06Å; V635-Y656 HydrophobicContact CB-CE1 3.65Å; V635-Y656 HydrophobicContact CB-CE2 4.46Å; V635-Y656 HydrophobicContact CG1-CD1 3.52Å; V635-Y656 HydrophobicContact CG1-CD2 4.16Å; V635-Y656 HydrophobicContact CG1-CE1 3.67Å; V635-Y656 HydrophobicContact CG1-CE2 4.31Å; V635-Y656 HydrophobicContact CG1-CG 3.8Å; V635-Y656 HydrophobicContact CG2-CE1 4.09Å; V635-Y656 HydrophobicContact CG2-CE2 4.09Å; F652-Y656 PolarHBondContact O-N 2.98Å; G653-Y656 WeakPolarHBondContact O-CB 3.39Å; G653-Y656 PolarHBondContact O-N 3.45Å; L654-Y656 VanDerWaalsContact C-N 3.34Å; L654-Y656 PolarHBondContact O-N 2.89Å; Y656-L658 VanDerWaalsContact C-N 3.35Å; Y656-L658 PolarHBondContact O-N 2.82Å; Y656-L659 PolarHBondContact O-N 3.16Å; Y656-K660 HydrophobicContact CE1-CB 4.48Å; Y656-K660 WeakPolarHBondContact O-CB 3.46Å; Y656-K660 PolarHBondContact O-N 3.37Å
657	M	95.8	Very high	93	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-34.8	-176.5	-70.5	-61.2	-61.6	0	0	112.8	I163 I164 L167 M632 G653 L654 M655 H661	I163-M657 HydrophobicContact CB-CE 3.85Å; I163-M657 HydrophobicContact CD1-CE 4.37Å; I163-M657 HydrophobicContact CG2-CE 3.48Å; I163-M657 VanDerWaalsContact CG2-CE 3.48Å; I163-M657 HydrophobicContact CG2-CG 4.34Å; I163-M657 HydrophobicContact CG2-SD 4.26Å; I164-M657 HydrophobicContact CG1-CB 3.79Å; L167-M657 HydrophobicContact CD1-CB 4.16Å; L167-M657 HydrophobicContact CD1-CG 3.46Å; L167-M657 VanDerWaalsContact CD1-CG 3.46Å; M632-M657 HydrophobicContact CG-CE 3.66Å; M632-M657 HydrophobicContact CG-SD 3.75Å; M632-M657 HydrophobicContact SD-CE 3.66Å; M632-M657 HydrophobicContact SD-SD 4.5Å; G653-M657 WeakPolarHBondContact O-CG 3.44Å; G653-M657 PolarHBondContact O-N 3.41Å; L654-M657 PolarHBondContact O-N 3.17Å; M655-M657 PolarHBondContact O-N 3.26Å; M657-H661 WeakPolarHBondContact O-CB 3.32Å; M657-H661 PolarHBondContact O-N 3.5Å
658	L	95.4	Very high	92.6	Very high	74 Å²	74	24.9 Å²	24.9	39%	0.387	13%	0.127	S	C	.	.	H	α-helix	trans	-65.7	-50.5	174.9	-72.9	170.6	0	0	0	111.3	I164 L654 M655 Y656 K660 H661 L662	I164-L658 HydrophobicContact CD1-CD2 4.25Å; I164-L658 HydrophobicContact CG2-CD2 3.89Å; L654-L658 HydrophobicContact CD1-CD1 4.43Å; L654-L658 HydrophobicContact CD1-CG 4.41Å; L654-L658 HydrophobicContact CG-CD1 4.12Å; L654-L658 WeakPolarHBondContact O-CG 3.35Å; L654-L658 PolarHBondContact O-N 3.32Å; M655-L658 PolarHBondContact O-N 3.38Å; Y656-L658 VanDerWaalsContact C-N 3.35Å; Y656-L658 PolarHBondContact O-N 2.82Å; L658-K660 VanDerWaalsContact C-N 3.31Å; L658-K660 PolarHBondContact O-N 3.44Å; L658-H661 PolarHBondContact O-N 2.73Å; L658-L662 WeakPolarHBondContact O-CG 3.35Å; L658-L662 PolarHBondContact O-N 3.15Å; L658-L662 VanDerWaalsContact O-N 3.11Å
659	L	93.6	Very high	92.3	Very high	34 Å²	34	25.5 Å²	25.5	18%	0.178	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-40.1	177.2	-70.5	175.5	0	0	0	111.3	F55 A582 F583 N586 M655 Y656 L662 A663	F55-L659 HydrophobicContact CZ-CD2 4.26Å; A582-L659 VanDerWaalsContact O-CD1 3.29Å; A582-L659 WeakPolarHBondContact O-CD1 3.34Å; F583-L659 HydrophobicContact CD1-CD1 4.14Å; F583-L659 HydrophobicContact CE1-CD1 4.12Å; N586-L659 HydrophobicContact CB-CB 4.22Å; M655-L659 HydrophobicContact CG-CD1 4.08Å; M655-L659 WeakPolarHBondContact O-CG 3.44Å; M655-L659 PolarHBondContact O-N 3.2Å; M655-L659 HydrophobicContact SD-CD1 4.44Å; Y656-L659 PolarHBondContact O-N 3.16Å; L659-L662 PolarHBondContact O-N 3.11Å; L659-A663 WeakPolarHBondContact O-CB 3.39Å; L659-A663 PolarHBondContact O-N 3.42Å
660	K	94.2	Very high	91.6	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-46.1	176	-174.9	58.9	175.9	155	0	111.7	N586 D589 Y656 L658 L662 A663 D664	N586-K660 WeakPolarHBondContact OD1-CA 3.42Å; N586-K660 VanDerWaalsContact OD1-CB 3.31Å; N586-K660 WeakPolarHBondContact OD1-CB 3.27Å; N586-K660 WeakPolarHBondContact OD1-CD 3.4Å; N586-K660 PolarHBondContact OD1-N 3.47Å; D589-K660 IonicContact OD2-NZ 3.06Å; D589-K660 PolarHBondContact OD2-NZ 3.5Å; Y656-K660 HydrophobicContact CE1-CB 4.48Å; Y656-K660 WeakPolarHBondContact O-CB 3.46Å; Y656-K660 PolarHBondContact O-N 3.37Å; L658-K660 VanDerWaalsContact C-N 3.31Å; L658-K660 PolarHBondContact O-N 3.44Å; K660-L662 VanDerWaalsContact C-N 3.32Å; K660-L662 PolarHBondContact O-N 3.35Å; K660-A663 PolarHBondContact O-N 3.28Å; K660-D664 WeakPolarHBondContact CD-OD2 3.48Å; K660-D664 WeakPolarHBondContact CE-OD1 3.31Å; K660-D664 WeakPolarHBondContact CE-OD2 3.22Å; K660-D664 IonicContact NZ-OD1 2.72Å; K660-D664 PolarHBondContact NZ-OD1 3.5Å; K660-D664 IonicContact NZ-OD2 2.77Å; K660-D664 PolarHBondContact NZ-OD2 2.88Å; K660-D664 WeakPolarHBondContact O-CB 3.36Å; K660-D664 PolarHBondContact O-N 3.46Å
661	H	93.9	Very high	90.7	Very high	23 Å²	23	27.5 Å²	27.5	11%	0.106	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-39.9	177.4	-177	62.1	0	0	0	112.8	Q160 I164 M657 L658 R665	Q160-H661 PolarHBondContact OE1-ND1 2.63Å; I164-H661 HydrophobicContact CD1-CB 3.82Å; M657-H661 WeakPolarHBondContact O-CB 3.32Å; M657-H661 PolarHBondContact O-N 3.5Å; L658-H661 PolarHBondContact O-N 2.73Å; H661-R665 WeakPolarHBondContact O-CB 3.45Å; H661-R665 PolarHBondContact O-N 2.99Å; H661-R665 VanDerWaalsContact O-N 3.13Å
662	L	91.8	Very high	89.9	Confident	44 Å²	44	27 Å²	27	23%	0.23	13%	0.127	C	C	.	.	H	α-helix	trans	-69.4	-45.5	177.4	-65.2	172.8	0	0	0	112	V137 F138 L658 L659 K660 Y666	V137-L662 HydrophobicContact CG1-CB 4.27Å; V137-L662 HydrophobicContact CG1-CD2 3.75Å; F138-L662 HydrophobicContact CD1-CD2 4.26Å; F138-L662 HydrophobicContact CE1-CD1 4.5Å; F138-L662 HydrophobicContact CE1-CD2 3.54Å; F138-L662 HydrophobicContact CE2-CD2 4.35Å; F138-L662 HydrophobicContact CZ-CD1 3.89Å; F138-L662 HydrophobicContact CZ-CD2 3.59Å; F138-L662 HydrophobicContact CZ-CG 4.42Å; L658-L662 WeakPolarHBondContact O-CG 3.35Å; L658-L662 PolarHBondContact O-N 3.15Å; L658-L662 VanDerWaalsContact O-N 3.11Å; L659-L662 PolarHBondContact O-N 3.11Å; K660-L662 VanDerWaalsContact C-N 3.32Å; K660-L662 PolarHBondContact O-N 3.35Å; L662-Y666 PolarHBondContact O-N 3.3Å; L662-Y666 VanDerWaalsContact O-N 3.1Å
663	A	90.6	Very high	89.1	Confident	9 Å²	9	26.1 Å²	26.1	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-46.2	-179.6	0	0	0	0	0	112	L590 L659 K660 Y666 N667	L590-A663 HydrophobicContact CB-CB 4.48Å; L590-A663 HydrophobicContact CD1-CB 4.39Å; L659-A663 WeakPolarHBondContact O-CB 3.39Å; L659-A663 PolarHBondContact O-N 3.42Å; K660-A663 PolarHBondContact O-N 3.28Å; A663-Y666 PolarHBondContact O-N 3.24Å; A663-N667 WeakPolarHBondContact O-CB 3.35Å; A663-N667 PolarHBondContact O-N 3.29Å
664	D	91.2	Very high	88.1	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-42	179.2	-70	-22	0	0	0	111.5	Y156 Q160 K660 Y666 N667 M668	Y156-D664 HydrophobicContact CE1-CB 4.19Å; Y156-D664 PolarHBondContact OH-OD2 3.08Å; Q160-D664 PolarHBondContact NE2-OD2 3.41Å; K660-D664 WeakPolarHBondContact CD-OD2 3.48Å; K660-D664 WeakPolarHBondContact CE-OD1 3.31Å; K660-D664 WeakPolarHBondContact CE-OD2 3.22Å; K660-D664 IonicContact NZ-OD1 2.72Å; K660-D664 PolarHBondContact NZ-OD1 3.5Å; K660-D664 IonicContact NZ-OD2 2.77Å; K660-D664 PolarHBondContact NZ-OD2 2.88Å; K660-D664 WeakPolarHBondContact O-CB 3.36Å; K660-D664 PolarHBondContact O-N 3.46Å; D664-Y666 VanDerWaalsContact C-N 3.33Å; D664-Y666 PolarHBondContact O-N 3.01Å; D664-N667 PolarHBondContact O-N 3.21Å; D664-M668 HydrophobicContact CB-SD 4.43Å; D664-M668 VanDerWaalsContact O-CB 3.28Å; D664-M668 WeakPolarHBondContact O-CB 3.46Å; D664-M668 WeakPolarHBondContact O-CG 3.17Å; D664-M668 PolarHBondContact O-N 3.5Å
665	R	89.9	Confident	87	Confident	47 Å²	47	27.9 Å²	27.9	18%	0.177	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-43.5	176.7	-174.7	-180	-174.6	174.3	-0.5	112	I140 I145 L157 H661 Y669	I140-R665 PolarHBondContact O-NH2 3.27Å; I145-R665 HydrophobicContact CD1-CG 3.91Å; L157-R665 HydrophobicContact CD1-CG 4.35Å; L157-R665 HydrophobicContact CD2-CB 4.17Å; H661-R665 WeakPolarHBondContact O-CB 3.45Å; H661-R665 PolarHBondContact O-N 2.99Å; H661-R665 VanDerWaalsContact O-N 3.13Å; R665-Y669 PolarHBondContact O-N 2.95Å
666	Y	86.8	Confident	86	Confident	2 Å²	2	28 Å²	28	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-52.6	175.5	-178.9	-94.4	0	0	0	111.4	F62 R66 W70 W133 V137 L590 L662 A663 D664 M668 Y669 Y670	F62-Y666 HydrophobicContact CE1-CE1 4.46Å; F62-Y666 HydrophobicContact CE2-CE1 4.44Å; F62-Y666 HydrophobicContact CZ-CD1 4.38Å; F62-Y666 AromaticContact CZ-CE1 3.6Å; F62-Y666 HydrophobicContact CZ-CE1 3.6Å; R66-Y666 WeakPolarHBondContact CD-OH 3.11Å; W70-Y666 HydrophobicContact CH2-CE1 4.37Å; W70-Y666 HydrophobicContact CZ2-CE1 4.47Å; W133-Y666 HydrophobicContact CB-CE2 3.81Å; W133-Y666 HydrophobicContact CE3-CD2 4.35Å; W133-Y666 HydrophobicContact CE3-CE2 4.41Å; V137-Y666 HydrophobicContact CG2-CD2 3.61Å; V137-Y666 HydrophobicContact CG2-CG 4.04Å; L590-Y666 HydrophobicContact CD1-CD1 3.73Å; L590-Y666 HydrophobicContact CD1-CE1 4.43Å; L590-Y666 HydrophobicContact CD1-CG 4.35Å; L662-Y666 PolarHBondContact O-N 3.3Å; L662-Y666 VanDerWaalsContact O-N 3.1Å; A663-Y666 PolarHBondContact O-N 3.24Å; D664-Y666 VanDerWaalsContact C-N 3.33Å; D664-Y666 PolarHBondContact O-N 3.01Å; Y666-M668 PolarHBondContact O-N 3.13Å; Y666-Y669 PolarHBondContact O-N 3.18Å; Y666-Y670 HydrophobicContact CD1-CD2 4.46Å; Y666-Y670 AromaticContact CD2-CD2 3.54Å; Y666-Y670 HydrophobicContact CD2-CD2 3.54Å; Y666-Y670 AromaticContact CD2-CE2 3.73Å; Y666-Y670 HydrophobicContact CD2-CE2 3.73Å; Y666-Y670 HydrophobicContact CE1-CD2 4.29Å; Y666-Y670 AromaticContact CE2-CD2 3.36Å; Y666-Y670 HydrophobicContact CE2-CD2 3.36Å; Y666-Y670 AromaticContact CE2-CE2 3.54Å; Y666-Y670 HydrophobicContact CE2-CE2 3.54Å; Y666-Y670 HydrophobicContact CE2-CG 4.29Å; Y666-Y670 HydrophobicContact CG-CD2 4.12Å; Y666-Y670 AromaticContact CZ-CD2 3.78Å; Y666-Y670 WeakPolarHBondContact O-CD2 3.47Å; Y666-Y670 PolarHBondContact O-N 3.23Å
667	N	86.4	Confident	85.2	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-41.4	-174.9	-81.5	-17.6	0	0	0	112.4	D589 L590 A663 D664 Y669 Y670 A671 Y672	D589-N667 PolarHBondContact O-ND2 3.27Å; L590-N667 PolarHBondContact O-OD1 3.38Å; A663-N667 WeakPolarHBondContact O-CB 3.35Å; A663-N667 PolarHBondContact O-N 3.29Å; D664-N667 PolarHBondContact O-N 3.21Å; N667-Y669 VanDerWaalsContact C-N 3.31Å; N667-Y669 PolarHBondContact O-N 3.22Å; N667-Y670 PolarHBondContact O-N 3.19Å; N667-A671 VanDerWaalsContact O-CA 3.32Å; N667-A671 WeakPolarHBondContact O-CA 3.33Å; N667-A671 WeakPolarHBondContact O-CB 3.23Å; N667-A671 PolarHBondContact O-N 2.99Å; N667-Y672 HydrophobicContact CB-CD2 4.11Å; N667-Y672 HydrophobicContact CB-CE2 3.79Å; N667-Y672 WeakPolarHBondContact O-CD2 3.21Å; N667-Y672 PolarHBondContact O-N 3.41Å
668	M	84.5	Confident	84.2	Confident	6 Å²	6	30.3 Å²	30.3	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-40.2	178.3	-71.9	170.3	70.9	0	0	111.5	C149 A153 Y156 L157 F623 F625 D664 Y666	C149-M668 PolarHBondContact SG-O 3.16Å; A153-M668 HydrophobicContact CB-CE 3.2Å; Y156-M668 HydrophobicContact CD1-CE 4.39Å; Y156-M668 HydrophobicContact CD1-SD 3.93Å; Y156-M668 HydrophobicContact CE1-SD 4.34Å; L157-M668 HydrophobicContact CD2-SD 4.18Å; L157-M668 HydrophobicContact CG-SD 4.33Å; F623-M668 HydrophobicContact CD2-CG 4.1Å; F623-M668 HydrophobicContact CE1-SD 4.28Å; F623-M668 HydrophobicContact CE2-CG 4.12Å; F623-M668 HydrophobicContact CG-CG 4.33Å; F623-M668 HydrophobicContact CZ-CG 4.38Å; F623-M668 HydrophobicContact CZ-SD 4.24Å; F625-M668 HydrophobicContact CE1-CE 4.43Å; F625-M668 HydrophobicContact CZ-CE 4.39Å; D664-M668 HydrophobicContact CB-SD 4.43Å; D664-M668 VanDerWaalsContact O-CB 3.28Å; D664-M668 WeakPolarHBondContact O-CB 3.46Å; D664-M668 WeakPolarHBondContact O-CG 3.17Å; D664-M668 PolarHBondContact O-N 3.5Å; Y666-M668 PolarHBondContact O-N 3.13Å
669	Y	82.9	Confident	83.3	Confident	41 Å²	41	30.7 Å²	30.7	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-72.5	-40.7	179.6	-171.1	-92.9	0	0	0	112.9	I140 E144 I145 K148 R665 Y666 N667	I140-Y669 HydrophobicContact CD1-CD1 3.97Å; I140-Y669 HydrophobicContact CD1-CG 3.96Å; I140-Y669 HydrophobicContact CG1-CD1 4.46Å; I140-Y669 HydrophobicContact CG2-CD2 3.8Å; I140-Y669 HydrophobicContact CG2-CE2 3.97Å; I140-Y669 HydrophobicContact CG2-CG 4.29Å; E144-Y669 HydrophobicContact CB-CE2 4.21Å; I145-Y669 HydrophobicContact CG1-CD2 4.07Å; K148-Y669 HydrophobicContact CD-CD2 4.04Å; K148-Y669 HydrophobicContact CD-CE2 3.9Å; K148-Y669 HydrophobicContact CD-CG 4.49Å; K148-Y669 VanDerWaalsContact CE-O 3.24Å; K148-Y669 WeakPolarHBondContact CE-O 3.4Å; K148-Y669 PolarHBondContact NZ-O 3.31Å; R665-Y669 PolarHBondContact O-N 2.95Å; Y666-Y669 PolarHBondContact O-N 3.18Å; N667-Y669 VanDerWaalsContact C-N 3.31Å; N667-Y669 PolarHBondContact O-N 3.22Å
670	Y	78.4	Confident	82.6	Confident	39 Å²	39	34.3 Å²	34.3	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-103.3	-12.9	-170.7	-71.7	-71.2	0	0	0	115.8	L77 I140 Y666 N667	L77-Y670 WeakPolarHBondContact CD1-O 3.47Å; I140-Y670 HydrophobicContact CD1-CE2 3.9Å; Y666-Y670 HydrophobicContact CD1-CD2 4.46Å; Y666-Y670 AromaticContact CD2-CD2 3.54Å; Y666-Y670 HydrophobicContact CD2-CD2 3.54Å; Y666-Y670 AromaticContact CD2-CE2 3.73Å; Y666-Y670 HydrophobicContact CD2-CE2 3.73Å; Y666-Y670 HydrophobicContact CE1-CD2 4.29Å; Y666-Y670 AromaticContact CE2-CD2 3.36Å; Y666-Y670 HydrophobicContact CE2-CD2 3.36Å; Y666-Y670 AromaticContact CE2-CE2 3.54Å; Y666-Y670 HydrophobicContact CE2-CE2 3.54Å; Y666-Y670 HydrophobicContact CE2-CG 4.29Å; Y666-Y670 HydrophobicContact CG-CD2 4.12Å; Y666-Y670 AromaticContact CZ-CD2 3.78Å; Y666-Y670 WeakPolarHBondContact O-CD2 3.47Å; Y666-Y670 PolarHBondContact O-N 3.23Å; N667-Y670 PolarHBondContact O-N 3.19Å
671	A	75.6	Confident	82.2	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-135.7	-16.1	-159.2	0	0	0	0	0	115.5	W70 R592 N667	W70-A671 HydrophobicContact CH2-CB 3.93Å; W70-A671 HydrophobicContact CZ2-CB 4.05Å; R592-A671 VanDerWaalsContact CZ-CB 3.42Å; R592-A671 PolarHBondContact NH1-O 2.91Å; R592-A671 VanDerWaalsContact NH1-O 3.1Å; N667-A671 VanDerWaalsContact O-CA 3.32Å; N667-A671 WeakPolarHBondContact O-CA 3.33Å; N667-A671 WeakPolarHBondContact O-CB 3.23Å; N667-A671 PolarHBondContact O-N 2.99Å
672	Y	79.1	Confident	81.7	Confident	48 Å²	48	33 Å²	33	19%	0.188	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.3	-176.5	-71.4	-72.3	0	0	0	112.1	Y621 F623 N667	Y621-Y672 WeakPolarHBondContact O-CA 3.44Å; Y621-Y672 VanDerWaalsContact O-CD1 3.3Å; Y621-Y672 WeakPolarHBondContact O-CD1 3.28Å; F623-Y672 HydrophobicContact CB-CD1 3.96Å; F623-Y672 HydrophobicContact CB-CD2 4.32Å; F623-Y672 HydrophobicContact CB-CG 3.86Å; F623-Y672 HydrophobicContact CD2-CD1 4.21Å; F623-Y672 AromaticContact CD2-CD2 3.57Å; F623-Y672 HydrophobicContact CD2-CD2 3.57Å; F623-Y672 HydrophobicContact CD2-CE1 4.16Å; F623-Y672 AromaticContact CD2-CE2 3.49Å; F623-Y672 HydrophobicContact CD2-CE2 3.49Å; F623-Y672 VanDerWaalsContact CD2-CE2 3.49Å; F623-Y672 AromaticContact CD2-CG 3.96Å; F623-Y672 HydrophobicContact CD2-CG 3.96Å; F623-Y672 AromaticContact CD2-CZ 3.82Å; F623-Y672 HydrophobicContact CE2-CD2 4.38Å; F623-Y672 HydrophobicContact CE2-CE2 4.02Å; F623-Y672 HydrophobicContact CG-CD2 4.38Å; F623-Y672 HydrophobicContact CG-CG 4.4Å; N667-Y672 HydrophobicContact CB-CD2 4.11Å; N667-Y672 HydrophobicContact CB-CE2 3.79Å; N667-Y672 WeakPolarHBondContact O-CD2 3.21Å; N667-Y672 PolarHBondContact O-N 3.41Å
673	L	76.7	Confident	81.3	Confident	25 Å²	25	34.9 Å²	34.9	13%	0.131	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	151.4	169.8	-65.2	99.6	0	0	0	111.5	D80 A620 Y621 E622	D80-L673 HydrophobicContact CB-CD2 4.11Å; D80-L673 VanDerWaalsContact CG-CD2 3.45Å; D80-L673 VanDerWaalsContact OD2-CD2 3.24Å; D80-L673 WeakPolarHBondContact OD2-CD2 3.35Å; A620-L673 HydrophobicContact CB-CD1 3.28Å; A620-L673 HydrophobicContact CB-CG 4.08Å; A620-L673 WeakPolarHBondContact O-CD1 3.49Å; Y621-L673 VanDerWaalsContact O-CD1 3.27Å; Y621-L673 WeakPolarHBondContact O-CD1 3.49Å; Y621-L673 PolarHBondContact O-N 3.41Å; Y621-L673 VanDerWaalsContact O-N 3.17Å; E622-L673 HydrophobicContact CG-CB 4.48Å
674	P	75.4	Confident	80.9	Confident	66 Å²	66	34.8 Å²	34.8	43%	0.429	16%	0.161	S	C	.	.			trans	-62.3	137.8	168.1	27	-34	0	0	0	110.5	C149	C149-P674 WeakPolarHBondContact O-CB 3.37Å
675	T	74.1	Confident	80.8	Confident	12 Å²	12	34.6 Å²	34.6	7%	0.074	16%	0.16	C	C	.	.			trans	-124.4	141	172.2	59.2	0	0	0	0	109.3	E622 F625	E622-T675 HydrophobicContact CB-CG2 3.65Å; E622-T675 HydrophobicContact CG-CG2 3.81Å; F625-T675 WeakPolarHBondContact CE2-OG1 3.13Å
676	K	74.6	Confident	80.6	Confident	89 Å²	89	32.7 Å²	32.7	39%	0.387	15%	0.153	S	C	.	.			trans	-98.3	117.6	169.8	-69.8	-170.6	175.3	-164.6	0	110.5	D419	D419-K676 WeakPolarHBondContact OD2-CD 3.27Å; D419-K676 IonicContact OD2-NZ 2.78Å; D419-K676 PolarHBondContact OD2-NZ 3.17Å
677	L	77.8	Confident	80.4	Confident	19 Å²	19	37.5 Å²	37.5	10%	0.099	18%	0.179	C	C	.	.			trans	-117.8	159.1	179.2	-63	174.5	0	0	0	111.7	D152 R512 S513 F625 I681	D152-L677 PolarHBondContact OD2-N 2.93Å; R512-L677 HydrophobicContact CB-CD2 4.45Å; S513-L677 WeakPolarHBondContact OG-CA 3.24Å; F625-L677 HydrophobicContact CB-CD1 3.87Å; F625-L677 HydrophobicContact CD2-CD1 3.27Å; F625-L677 HydrophobicContact CD2-CG 4.5Å; F625-L677 HydrophobicContact CE2-CD1 3.92Å; F625-L677 HydrophobicContact CG-CD1 3.64Å; L677-I681 HydrophobicContact CB-CG2 4.42Å; L677-I681 HydrophobicContact CD1-CD1 4.36Å
678	D	74.6	Confident	80.6	Confident	41 Å²	41	38.3 Å²	38.3	22%	0.219	18%	0.183	C	C	.	.			trans	-75.9	135.5	172.5	-175.5	-9.1	0	0	0	110	S513 K680 I681	S513-D678 PolarHBondContact OG-N 2.87Å; D678-K680 PolarHBondContact O-N 2.87Å; D678-K680 PolarHBondContact OD1-N 3.21Å; D678-K680 VanDerWaalsContact OD2-CD 3.27Å; D678-K680 WeakPolarHBondContact OD2-CD 3.04Å; D678-K680 VanDerWaalsContact OD2-CE 3.27Å; D678-K680 WeakPolarHBondContact OD2-CE 3.36Å; D678-K680 IonicContact OD2-NZ 3.87Å; D678-K680 PolarHBondContact OD2-NZ 3.25Å; D678-I681 WeakPolarHBondContact O-CG2 3.07Å; D678-I681 PolarHBondContact O-N 3.42Å; D678-I681 VanDerWaalsContact O-N 3.1Å
679	K	76.6	Confident	80.8	Confident	81 Å²	81	38 Å²	38	35%	0.352	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-29.4	176.2	67	-174.7	178.2	-175.6	0	114.2	Y237 I681 H682 Y683	Y237-K679 HydrophobicContact CD1-CB 4.12Å; Y237-K679 HydrophobicContact CD2-CB 3.82Å; Y237-K679 HydrophobicContact CD2-CD 4.36Å; Y237-K679 HydrophobicContact CE1-CB 3.75Å; Y237-K679 HydrophobicContact CE2-CB 3.44Å; Y237-K679 VanDerWaalsContact CE2-CB 3.44Å; Y237-K679 HydrophobicContact CG-CB 4.15Å; Y237-K679 HydrophobicContact CG-CD 4.49Å; K679-I681 PolarHBondContact O-N 3.46Å; K679-I681 VanDerWaalsContact O-N 3.1Å; K679-H682 PolarHBondContact O-N 3.28Å; K679-H682 VanDerWaalsContact O-N 3.07Å; K679-Y683 HydrophobicContact CB-CD2 4.34Å; K679-Y683 HydrophobicContact CB-CE2 4.02Å; K679-Y683 HydrophobicContact CD-CE2 4.15Å; K679-Y683 HydrophobicContact CG-CD2 4.36Å; K679-Y683 HydrophobicContact CG-CE2 4.04Å; K679-Y683 VanDerWaalsContact O-CD2 3.22Å; K679-Y683 WeakPolarHBondContact O-CD2 3.28Å; K679-Y683 PolarHBondContact O-N 2.98Å
680	K	79.9	Confident	81	Confident	111 Å²	111	37.4 Å²	37.4	48%	0.483	18%	0.182	S	C	.	.	H	α-helix	trans	-53.7	-29.3	179.5	-67.1	177.6	-163.5	132.9	0	114	D678 G684	D678-K680 PolarHBondContact O-N 2.87Å; D678-K680 PolarHBondContact OD1-N 3.21Å; D678-K680 VanDerWaalsContact OD2-CD 3.27Å; D678-K680 WeakPolarHBondContact OD2-CD 3.04Å; D678-K680 VanDerWaalsContact OD2-CE 3.27Å; D678-K680 WeakPolarHBondContact OD2-CE 3.36Å; D678-K680 IonicContact OD2-NZ 3.87Å; D678-K680 PolarHBondContact OD2-NZ 3.25Å; K680-G684 PolarHBondContact O-N 3.42Å
681	I	84.4	Confident	81.4	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-43.7	177.9	-166.4	172.6	0	0	0	111.4	N516 M520 F625 L677 D678 K679 G684 A685	N516-I681 HydrophobicContact CB-CD1 3.68Å; M520-I681 HydrophobicContact CE-CG1 4.4Å; M520-I681 HydrophobicContact SD-CG1 4.23Å; F625-I681 HydrophobicContact CB-CD1 4.01Å; L677-I681 HydrophobicContact CB-CG2 4.42Å; L677-I681 HydrophobicContact CD1-CD1 4.36Å; D678-I681 WeakPolarHBondContact O-CG2 3.07Å; D678-I681 PolarHBondContact O-N 3.42Å; D678-I681 VanDerWaalsContact O-N 3.1Å; K679-I681 PolarHBondContact O-N 3.46Å; K679-I681 VanDerWaalsContact O-N 3.1Å; I681-G684 WeakPolarHBondContact O-CA 3.2Å; I681-G684 PolarHBondContact O-N 3.33Å; I681-A685 PolarHBondContact O-N 3.2Å
682	H	85	Confident	82.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-44.5	-179.3	-64.8	-80.9	0	0	0	111.6	D152 M235 Y237 Y629 K679 G684 A685 V686	D152-H682 PolarHBondContact O-CE1 2.91Å; D152-H682 IonicContact OD1-NE2 2.68Å; D152-H682 PolarHBondContact OD1-NE2 3.17Å; M235-H682 HydrophobicContact CE-CB 3.61Å; M235-H682 HydrophobicContact SD-CB 4.31Å; Y237-H682 PolarHBondContact OH-CD2 3.11Å; Y629-H682 AromaticContact CZ-ND1 3.84Å; Y629-H682 PolarHBondContact OH-CE1 3.4Å; Y629-H682 VanDerWaalsContact OH-CE1 3.23Å; Y629-H682 PolarHBondContact OH-ND1 2.93Å; K679-H682 PolarHBondContact O-N 3.28Å; K679-H682 VanDerWaalsContact O-N 3.07Å; H682-G684 VanDerWaalsContact C-N 3.29Å; H682-G684 PolarHBondContact O-N 3.24Å; H682-A685 PolarHBondContact O-N 3.05Å; H682-V686 WeakPolarHBondContact O-CG2 2.89Å; H682-V686 PolarHBondContact O-N 3.02Å; H682-V686 VanDerWaalsContact O-N 3.1Å
683	Y	82.6	Confident	82.6	Confident	82 Å²	82	34.7 Å²	34.7	32%	0.322	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-36.7	172.2	-68.6	-78.3	0	0	0	112.2	T232 K679 V686 N687	T232-Y683 HydrophobicContact CG2-CD1 3.99Å; T232-Y683 HydrophobicContact CG2-CE1 3.45Å; T232-Y683 VanDerWaalsContact CG2-CE1 3.45Å; K679-Y683 HydrophobicContact CB-CD2 4.34Å; K679-Y683 HydrophobicContact CB-CE2 4.02Å; K679-Y683 HydrophobicContact CD-CE2 4.15Å; K679-Y683 HydrophobicContact CG-CD2 4.36Å; K679-Y683 HydrophobicContact CG-CE2 4.04Å; K679-Y683 VanDerWaalsContact O-CD2 3.22Å; K679-Y683 WeakPolarHBondContact O-CD2 3.28Å; K679-Y683 PolarHBondContact O-N 2.98Å; Y683-V686 PolarHBondContact O-N 3.34Å; Y683-N687 PolarHBondContact O-N 3.35Å
684	G	83.4	Confident	83.2	Confident	7 Å²	7	34.9 Å²	34.9	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-45.2	174.8	0	0	0	0	0	112.4	K680 I681 H682 N687 Q688	K680-G684 PolarHBondContact O-N 3.42Å; I681-G684 WeakPolarHBondContact O-CA 3.2Å; I681-G684 PolarHBondContact O-N 3.33Å; H682-G684 VanDerWaalsContact C-N 3.29Å; H682-G684 PolarHBondContact O-N 3.24Å; G684-N687 PolarHBondContact O-N 2.89Å; G684-Q688 WeakPolarHBondContact O-CG 3.44Å; G684-Q688 PolarHBondContact O-N 3.39Å; G684-Q688 VanDerWaalsContact O-N 3.11Å
685	A	87.4	Confident	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-44.4	176.3	0	0	0	0	0	111.7	F159 M520 Y629 M633 I681 H682 N687 Q688 V689	F159-A685 HydrophobicContact CE2-CB 4.34Å; F159-A685 HydrophobicContact CZ-CB 4.19Å; M520-A685 HydrophobicContact SD-CB 3.87Å; Y629-A685 HydrophobicContact CD1-CB 3.68Å; Y629-A685 HydrophobicContact CE1-CB 3.81Å; Y629-A685 HydrophobicContact CG-CB 4.08Å; M633-A685 HydrophobicContact CE-CB 4.47Å; M633-A685 HydrophobicContact SD-CB 4Å; I681-A685 PolarHBondContact O-N 3.2Å; H682-A685 PolarHBondContact O-N 3.05Å; A685-N687 VanDerWaalsContact C-N 3.34Å; A685-N687 PolarHBondContact O-N 2.71Å; A685-Q688 PolarHBondContact O-N 2.86Å; A685-Q688 VanDerWaalsContact O-N 3.14Å; A685-V689 PolarHBondContact O-N 3.05Å
686	V	86	Confident	84.6	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-46.2	176.7	172.1	0	0	0	0	111.6	F159 M228 H682 Y683 Q688 V689 V690	F159-V686 HydrophobicContact CD2-CG2 4.28Å; F159-V686 HydrophobicContact CE2-CG2 4.12Å; M228-V686 HydrophobicContact CB-CG1 3.8Å; M228-V686 HydrophobicContact CG-CG1 4.18Å; M228-V686 HydrophobicContact SD-CG1 4.22Å; M228-V686 HydrophobicContact SD-CG2 4.41Å; H682-V686 WeakPolarHBondContact O-CG2 2.89Å; H682-V686 PolarHBondContact O-N 3.02Å; H682-V686 VanDerWaalsContact O-N 3.1Å; Y683-V686 PolarHBondContact O-N 3.34Å; V686-Q688 VanDerWaalsContact C-N 3.3Å; V686-Q688 PolarHBondContact O-N 3.38Å; V686-V689 PolarHBondContact O-N 3.42Å; V686-V690 PolarHBondContact O-N 3.26Å
687	N	84	Confident	85.4	Confident	102 Å²	102	29.1 Å²	29.1	55%	0.545	15%	0.147	S	C	.	.	H	α-helix	trans	-63.8	-35.7	178.2	-71.8	-19	0	0	0	112.3	Y683 G684 A685	Y683-N687 PolarHBondContact O-N 3.35Å; G684-N687 PolarHBondContact O-N 2.89Å; A685-N687 VanDerWaalsContact C-N 3.34Å; A685-N687 PolarHBondContact O-N 2.71Å
688	Q	88.7	Confident	85.9	Confident	21 Å²	21	32.8 Å²	32.8	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-71.7	-35.7	177.9	-73.8	-172.4	-53.4	0	0	113.3	H521 Y524 M633 G684 A685 V686 V690 A691	H521-Q688 PolarHBondContact ND1-NE2 3.41Å; Y524-Q688 HydrophobicContact CD1-CB 4.36Å; Y524-Q688 HydrophobicContact CD1-CG 4.32Å; Y524-Q688 HydrophobicContact CE1-CB 4.07Å; Y524-Q688 HydrophobicContact CE1-CG 4.37Å; Y524-Q688 PolarHBondContact OH-O 3.38Å; M633-Q688 HydrophobicContact CE-CB 4.2Å; M633-Q688 VanDerWaalsContact CE-OE1 3.24Å; M633-Q688 HydrophobicContact SD-CB 4.05Å; G684-Q688 WeakPolarHBondContact O-CG 3.44Å; G684-Q688 PolarHBondContact O-N 3.39Å; G684-Q688 VanDerWaalsContact O-N 3.11Å; A685-Q688 PolarHBondContact O-N 2.86Å; A685-Q688 VanDerWaalsContact O-N 3.14Å; V686-Q688 VanDerWaalsContact C-N 3.3Å; V686-Q688 PolarHBondContact O-N 3.38Å; Q688-V690 VanDerWaalsContact C-N 3.25Å; Q688-V690 PolarHBondContact O-N 3.38Å; Q688-A691 WeakPolarHBondContact O-CB 3.32Å; Q688-A691 PolarHBondContact O-N 2.91Å
689	V	89.2	Confident	86.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-34.7	175.5	165.8	0	0	0	0	112	F159 I163 T224 M228 M633 F636 A685 V686 A691 A692 P693	F159-V689 HydrophobicContact CE1-CG2 4.43Å; F159-V689 HydrophobicContact CE2-CG2 4.07Å; F159-V689 HydrophobicContact CZ-CG2 3.46Å; F159-V689 VanDerWaalsContact CZ-CG2 3.46Å; I163-V689 HydrophobicContact CD1-CG2 4.31Å; T224-V689 HydrophobicContact CG2-CG1 4.11Å; M228-V689 HydrophobicContact CE-CG1 4.35Å; M228-V689 HydrophobicContact CG-CG1 4.1Å; M228-V689 HydrophobicContact SD-CB 4.22Å; M228-V689 HydrophobicContact SD-CG1 3.87Å; M633-V689 HydrophobicContact CG-CG2 3.7Å; M633-V689 HydrophobicContact SD-CG2 3.67Å; F636-V689 HydrophobicContact CD1-CG1 4.24Å; F636-V689 HydrophobicContact CE1-CG1 3.68Å; F636-V689 HydrophobicContact CZ-CG1 4.38Å; A685-V689 PolarHBondContact O-N 3.05Å; V686-V689 PolarHBondContact O-N 3.42Å; V689-A691 PolarHBondContact O-N 2.74Å; V689-A692 VanDerWaalsContact O-CB 3.28Å; V689-A692 WeakPolarHBondContact O-CB 3.28Å; V689-A692 PolarHBondContact O-N 3.13Å; V689-P693 WeakPolarHBondContact O-CD 3.45Å
690	V	86.8	Confident	86.8	Confident	27 Å²	27	27.5 Å²	27.5	16%	0.164	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	175.6	177.6	0	0	0	0	111.9	V225 M228 V686 Q688 A692 P693 I694	V225-V690 HydrophobicContact CG2-CG1 4.26Å; M228-V690 HydrophobicContact CG-CG2 4.34Å; V686-V690 PolarHBondContact O-N 3.26Å; Q688-V690 VanDerWaalsContact C-N 3.25Å; Q688-V690 PolarHBondContact O-N 3.38Å; V690-A692 VanDerWaalsContact C-N 3.28Å; V690-A692 PolarHBondContact O-N 3.41Å; V690-P693 VanDerWaalsContact O-CD 3.29Å; V690-P693 WeakPolarHBondContact O-CD 3.48Å; V690-P693 WeakPolarHBondContact O-CG 3.32Å; V690-I694 WeakPolarHBondContact O-CG1 3.07Å
691	A	86.7	Confident	87.1	Confident	33 Å²	33	23 Å²	23	27%	0.273	12%	0.119	S	C	.	.	H	α-helix	trans	-68.5	-24.9	173.5	0	0	0	0	0	113.2	Q688 V689 I694 L695	Q688-A691 WeakPolarHBondContact O-CB 3.32Å; Q688-A691 PolarHBondContact O-N 2.91Å; V689-A691 PolarHBondContact O-N 2.74Å; A691-I694 PolarHBondContact O-N 2.97Å; A691-L695 WeakPolarHBondContact O-CG 3.4Å; A691-L695 PolarHBondContact O-N 3.2Å
692	A	90.7	Very high	86.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-53.4	-178.9	0	0	0	0	0	113.9	F636 T637 M640 V689 V690 I694 L695 C696	F636-A692 HydrophobicContact CD1-CB 4.03Å; F636-A692 HydrophobicContact CE1-CB 3.78Å; T637-A692 HydrophobicContact CG2-CB 4.15Å; T637-A692 WeakPolarHBondContact OG1-CB 3.48Å; M640-A692 HydrophobicContact CB-CB 4.2Å; M640-A692 HydrophobicContact CG-CB 4.38Å; V689-A692 VanDerWaalsContact O-CB 3.28Å; V689-A692 WeakPolarHBondContact O-CB 3.28Å; V689-A692 PolarHBondContact O-N 3.13Å; V690-A692 VanDerWaalsContact C-N 3.28Å; V690-A692 PolarHBondContact O-N 3.41Å; A692-I694 VanDerWaalsContact C-N 3.27Å; A692-I694 PolarHBondContact O-N 3.3Å; A692-L695 PolarHBondContact O-N 3.35Å; A692-C696 PolarHBondContact O-N 2.95Å
693	P	89.8	Confident	86.6	Confident	2 Å²	2	26 Å²	26	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-66.8	-26	175.9	25.9	-36.4	0	0	0	113.4	L221 T224 V689 V690 C696 L697	L221-P693 HydrophobicContact CB-CB 4.13Å; L221-P693 HydrophobicContact CD1-CB 3.84Å; L221-P693 HydrophobicContact CD1-CG 3.58Å; T224-P693 HydrophobicContact CG2-CG 4.05Å; V689-P693 WeakPolarHBondContact O-CD 3.45Å; V690-P693 VanDerWaalsContact O-CD 3.29Å; V690-P693 WeakPolarHBondContact O-CD 3.48Å; V690-P693 WeakPolarHBondContact O-CG 3.32Å; P693-C696 WeakPolarHBondContact O-CB 3.31Å; P693-C696 PolarHBondContact O-N 3.17Å; P693-L697 WeakPolarHBondContact O-CG 3.36Å; P693-L697 PolarHBondContact O-N 2.89Å
694	I	90	Very high	86.5	Confident	30 Å²	30	22.4 Å²	22.4	15%	0.154	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-43.3	173.2	-59.8	171.9	0	0	0	110	L221 V690 A691 A692 C696 L697 F698 L722 I726 C729	L221-I694 HydrophobicContact CD1-CG1 4.27Å; V690-I694 WeakPolarHBondContact O-CG1 3.07Å; A691-I694 PolarHBondContact O-N 2.97Å; A692-I694 VanDerWaalsContact C-N 3.27Å; A692-I694 PolarHBondContact O-N 3.3Å; I694-C696 VanDerWaalsContact C-N 3.31Å; I694-C696 PolarHBondContact O-N 3.49Å; I694-L697 PolarHBondContact O-N 2.91Å; I694-F698 PolarHBondContact O-N 3.42Å; I694-L722 HydrophobicContact CG2-CD1 3.96Å; I694-I726 HydrophobicContact CG2-CG1 4.49Å; I694-C729 VanDerWaalsContact CD1-SG 3.55Å
695	L	89	Confident	86.3	Confident	40 Å²	40	24.2 Å²	24.2	21%	0.209	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-38.6	172.8	-72.1	172.8	0	0	0	111.6	I528 T637 A691 A692 F698 W699	I528-L695 HydrophobicContact CD1-CD1 4.02Å; I528-L695 HydrophobicContact CG2-CD1 4.24Å; T637-L695 HydrophobicContact CG2-CD1 3.69Å; A691-L695 WeakPolarHBondContact O-CG 3.4Å; A691-L695 PolarHBondContact O-N 3.2Å; A692-L695 PolarHBondContact O-N 3.35Å; L695-F698 PolarHBondContact O-N 3.35Å; L695-W699 VanDerWaalsContact O-CB 3.31Å; L695-W699 WeakPolarHBondContact O-CB 3.49Å; L695-W699 PolarHBondContact O-N 3.17Å
696	C	90.1	Very high	85.7	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-46.7	172.4	-175.8	0	0	0	0	112.2	M640 A692 P693 I694 W699 L700	M640-C696 PolarHBondContact O-SG 3.41Å; M640-C696 VanDerWaalsContact O-SG 3.33Å; A692-C696 PolarHBondContact O-N 2.95Å; P693-C696 WeakPolarHBondContact O-CB 3.31Å; P693-C696 PolarHBondContact O-N 3.17Å; I694-C696 VanDerWaalsContact C-N 3.31Å; I694-C696 PolarHBondContact O-N 3.49Å; C696-W699 PolarHBondContact O-N 2.84Å; C696-L700 WeakPolarHBondContact O-CG 3.22Å; C696-L700 PolarHBondContact O-N 2.83Å
697	L	90.4	Very high	85.1	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-43.4	176	-75.4	168.6	0	0	0	112.3	A217 L221 P693 I694 W699 L700 L701 V721 L722 T725	A217-L697 HydrophobicContact CB-CD2 3.54Å; A217-L697 HydrophobicContact CB-CG 4.41Å; L221-L697 HydrophobicContact CD2-CD1 4.18Å; P693-L697 WeakPolarHBondContact O-CG 3.36Å; P693-L697 PolarHBondContact O-N 2.89Å; I694-L697 PolarHBondContact O-N 2.91Å; L697-W699 VanDerWaalsContact C-N 3.31Å; L697-W699 PolarHBondContact O-N 3.26Å; L697-L700 PolarHBondContact O-N 3.04Å; L697-L701 WeakPolarHBondContact O-CB 3.33Å; L697-L701 PolarHBondContact O-N 3.18Å; L697-V721 HydrophobicContact CD1-CG1 4.18Å; L697-V721 HydrophobicContact CD2-CG1 4.33Å; L697-L722 HydrophobicContact CB-CD1 3.96Å; L697-T725 HydrophobicContact CD1-CG2 4.47Å
698	F	88.3	Confident	84.6	Confident	97 Å²	97	26 Å²	26	43%	0.425	14%	0.137	S	C	.	.	H	α-helix	trans	-59.7	-43	174.4	173.5	-98.7	0	0	0	111.6	I694 L695 L701 F702 L722	I694-F698 PolarHBondContact O-N 3.42Å; L695-F698 PolarHBondContact O-N 3.35Å; F698-L701 PolarHBondContact O-N 3.01Å; F698-F702 WeakPolarHBondContact O-CB 3.1Å; F698-F702 PolarHBondContact O-N 3.38Å; F698-L722 HydrophobicContact CB-CD1 4.43Å; F698-L722 HydrophobicContact CB-CD2 4.26Å; F698-L722 HydrophobicContact CD2-CD2 4.22Å
699	W	84.1	Confident	84.1	Confident	5 Å²	5	26.4 Å²	26.4	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-40.9	179.7	-154.4	-116.3	0	0	0	112.5	L537 F566 T641 Y642 L695 C696 L697 F702 F703	L537-W699 HydrophobicContact CD2-CH2 4.47Å; F566-W699 HydrophobicContact CD1-CZ2 4.41Å; F566-W699 HydrophobicContact CE1-CD2 4.33Å; F566-W699 AromaticContact CE1-CE2 3.4Å; F566-W699 HydrophobicContact CE1-CH2 4.17Å; F566-W699 AromaticContact CE1-CZ2 3.25Å; F566-W699 HydrophobicContact CE1-CZ2 3.25Å; F566-W699 AromaticContact CE1-NE1 3.48Å; F566-W699 HydrophobicContact CZ-CD2 4.38Å; F566-W699 AromaticContact CZ-CE2 3.72Å; F566-W699 AromaticContact CZ-CH2 3.8Å; F566-W699 HydrophobicContact CZ-CH2 3.8Å; F566-W699 AromaticContact CZ-CZ2 3.34Å; F566-W699 HydrophobicContact CZ-CZ2 3.34Å; T641-W699 HydrophobicContact CG2-CB 3.75Å; T641-W699 HydrophobicContact CG2-CD2 4.32Å; T641-W699 HydrophobicContact CG2-CG 3.65Å; Y642-W699 AromaticContact CE1-NE1 3.86Å; Y642-W699 AromaticContact CZ-NE1 3.69Å; L695-W699 VanDerWaalsContact O-CB 3.31Å; L695-W699 WeakPolarHBondContact O-CB 3.49Å; L695-W699 PolarHBondContact O-N 3.17Å; C696-W699 PolarHBondContact O-N 2.84Å; L697-W699 VanDerWaalsContact C-N 3.31Å; L697-W699 PolarHBondContact O-N 3.26Å; W699-F702 HydrophobicContact CE3-CD1 4.39Å; W699-F702 HydrophobicContact CH2-CD1 4.23Å; W699-F702 HydrophobicContact CH2-CE1 4.3Å; W699-F702 HydrophobicContact CZ3-CD1 4.06Å; W699-F702 HydrophobicContact CZ3-CE1 4.44Å; W699-F702 PolarHBondContact O-N 2.91Å; W699-F703 WeakPolarHBondContact O-CB 3.35Å; W699-F703 PolarHBondContact O-N 2.77Å
700	L	85.5	Confident	83.6	Confident	6 Å²	6	31 Å²	31	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-39.4	174.4	-74.7	172.7	0	0	0	112.6	A217 I644 T645 C696 L697 F702 F703 S704	A217-L700 HydrophobicContact CB-CD1 3.45Å; A217-L700 VanDerWaalsContact CB-CD1 3.45Å; I644-L700 HydrophobicContact CB-CD1 4.25Å; I644-L700 HydrophobicContact CB-CD2 4.32Å; I644-L700 HydrophobicContact CD1-CD1 3.78Å; I644-L700 HydrophobicContact CG2-CD1 4Å; I644-L700 HydrophobicContact CG2-CD2 3.83Å; T645-L700 HydrophobicContact CG2-CD2 3.74Å; C696-L700 WeakPolarHBondContact O-CG 3.22Å; C696-L700 PolarHBondContact O-N 2.83Å; L697-L700 PolarHBondContact O-N 3.04Å; L700-F702 VanDerWaalsContact C-N 3.34Å; L700-F703 PolarHBondContact O-N 3.07Å; L700-S704 VanDerWaalsContact O-CB 3.32Å; L700-S704 WeakPolarHBondContact O-CB 3.28Å; L700-S704 PolarHBondContact O-N 2.76Å
701	L	86.5	Confident	83.2	Confident	16 Å²	16	36 Å²	36	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-46.5	173.6	170.6	65.6	0	0	0	110.6	L697 F698 S704 T705 S715 T718 F719 L722	L697-L701 WeakPolarHBondContact O-CB 3.33Å; L697-L701 PolarHBondContact O-N 3.18Å; F698-L701 PolarHBondContact O-N 3.01Å; L701-S704 PolarHBondContact O-N 3.37Å; L701-T705 WeakPolarHBondContact O-CB 3.49Å; L701-T705 PolarHBondContact O-N 2.87Å; L701-T705 PolarHBondContact O-OG1 3.46Å; L701-S715 WeakPolarHBondContact CD1-O 3.36Å; L701-T718 WeakPolarHBondContact CD1-OG1 3.4Å; L701-F719 HydrophobicContact CD1-CB 3.89Å; L701-F719 HydrophobicContact CD2-CB 4.32Å; L701-F719 HydrophobicContact CD2-CD2 3.89Å; L701-L722 HydrophobicContact CD2-CD2 3.73Å
702	F	81.8	Confident	82.9	Confident	49 Å²	49	35.5 Å²	35.5	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-45.5	178.5	-178.7	-133.7	0	0	0	111.1	L537 F562 F566 F698 W699 L700 T705 V706	L537-F702 HydrophobicContact CD2-CE1 3.97Å; L537-F702 HydrophobicContact CD2-CZ 4.3Å; F562-F702 HydrophobicContact CD1-CZ 4.2Å; F566-F702 HydrophobicContact CD2-CE1 4.45Å; F566-F702 AromaticContact CE2-CD1 3.4Å; F566-F702 HydrophobicContact CE2-CD1 3.4Å; F566-F702 VanDerWaalsContact CE2-CD1 3.4Å; F566-F702 AromaticContact CE2-CE1 3.17Å; F566-F702 HydrophobicContact CE2-CE1 3.17Å; F566-F702 HydrophobicContact CE2-CG 4.27Å; F566-F702 AromaticContact CE2-CZ 3.92Å; F566-F702 HydrophobicContact CE2-CZ 3.92Å; F566-F702 AromaticContact CZ-CD1 3.28Å; F566-F702 HydrophobicContact CZ-CD1 3.28Å; F566-F702 AromaticContact CZ-CE1 3.41Å; F566-F702 HydrophobicContact CZ-CE1 3.41Å; F566-F702 VanDerWaalsContact CZ-CE1 3.41Å; F566-F702 HydrophobicContact CZ-CG 4.3Å; F698-F702 WeakPolarHBondContact O-CB 3.1Å; F698-F702 PolarHBondContact O-N 3.38Å; W699-F702 HydrophobicContact CE3-CD1 4.39Å; W699-F702 HydrophobicContact CH2-CD1 4.23Å; W699-F702 HydrophobicContact CH2-CE1 4.3Å; W699-F702 HydrophobicContact CZ3-CD1 4.06Å; W699-F702 HydrophobicContact CZ3-CE1 4.44Å; W699-F702 PolarHBondContact O-N 2.91Å; L700-F702 VanDerWaalsContact C-N 3.34Å; F702-T705 PolarHBondContact O-N 3.12Å; F702-V706 HydrophobicContact CD2-CG2 4.13Å; F702-V706 HydrophobicContact CE2-CG2 3.83Å; F702-V706 HydrophobicContact CZ-CG2 4.29Å; F702-V706 WeakPolarHBondContact O-CG2 3.5Å; F702-V706 PolarHBondContact O-N 2.89Å
703	F	78.2	Confident	82.6	Confident	16 Å²	16	39 Å²	39	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-49.2	174	178.6	-95.8	0	0	0	112.8	I200 F566 W699 L700 T705 V706 R707	I200-F703 HydrophobicContact CB-CE1 4.39Å; I200-F703 HydrophobicContact CB-CZ 4.46Å; I200-F703 HydrophobicContact CD1-CD1 4.14Å; I200-F703 HydrophobicContact CD1-CE1 3.78Å; I200-F703 HydrophobicContact CG1-CE1 3.87Å; I200-F703 HydrophobicContact CG1-CZ 4.34Å; I200-F703 HydrophobicContact CG2-CD1 4.31Å; I200-F703 HydrophobicContact CG2-CE1 3.69Å; I200-F703 HydrophobicContact CG2-CE2 4.03Å; I200-F703 HydrophobicContact CG2-CZ 3.54Å; F566-F703 HydrophobicContact CB-CD2 4.06Å; F566-F703 HydrophobicContact CB-CE2 4.23Å; F566-F703 AromaticContact CD1-CD2 3.93Å; F566-F703 HydrophobicContact CD1-CD2 3.93Å; F566-F703 AromaticContact CG-CD2 3.94Å; F566-F703 HydrophobicContact CG-CD2 3.94Å; W699-F703 WeakPolarHBondContact O-CB 3.35Å; W699-F703 PolarHBondContact O-N 2.77Å; L700-F703 PolarHBondContact O-N 3.07Å; F703-T705 VanDerWaalsContact C-N 3.31Å; F703-T705 PolarHBondContact O-N 2.92Å; F703-V706 PolarHBondContact O-N 3.34Å; F703-R707 WeakPolarHBondContact O-CB 3.3Å; F703-R707 PolarHBondContact O-N 3.19Å; F703-R707 VanDerWaalsContact O-N 3.08Å
704	S	79.6	Confident	82.2	Confident	7 Å²	7	39.5 Å²	39.5	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-37	180	-170.8	0	0	0	0	112	L700 L701 S708 T714 S715	L700-S704 VanDerWaalsContact O-CB 3.32Å; L700-S704 WeakPolarHBondContact O-CB 3.28Å; L700-S704 PolarHBondContact O-N 2.76Å; L701-S704 PolarHBondContact O-N 3.37Å; S704-S708 WeakPolarHBondContact O-CB 3.4Å; S704-S708 PolarHBondContact O-N 3.38Å; S704-T714 PolarHBondContact OG-OG1 3.44Å; S704-S715 WeakPolarHBondContact CB-OG 3.48Å; S704-S715 PolarHBondContact O-OG 2.91Å; S704-S715 PolarHBondContact OG-OG 3.28Å
705	T	79.8	Confident	81.9	Confident	45 Å²	45	38.1 Å²	38.1	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-69.1	-42.6	179.1	-57.5	0	0	0	0	111.9	L701 F702 F703 G709 F710	L701-T705 WeakPolarHBondContact O-CB 3.49Å; L701-T705 PolarHBondContact O-N 2.87Å; L701-T705 PolarHBondContact O-OG1 3.46Å; F702-T705 PolarHBondContact O-N 3.12Å; F703-T705 VanDerWaalsContact C-N 3.31Å; F703-T705 PolarHBondContact O-N 2.92Å; T705-G709 CarbonylContact O-C 3.57Å; T705-G709 WeakPolarHBondContact O-CA 3.25Å; T705-G709 PolarHBondContact O-N 3.5Å; T705-G709 VanDerWaalsContact O-N 3.08Å; T705-F710 HydrophobicContact CG2-CB 4.05Å; T705-F710 HydrophobicContact CG2-CD2 4.31Å
706	V	75.3	Confident	81.8	Confident	45 Å²	45	40 Å²	40	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-39.5	177.9	171.6	0	0	0	0	111	E563 F702 F703	E563-V706 HydrophobicContact CB-CG1 4.39Å; E563-V706 HydrophobicContact CG-CG1 4.42Å; F702-V706 HydrophobicContact CD2-CG2 4.13Å; F702-V706 HydrophobicContact CE2-CG2 3.83Å; F702-V706 HydrophobicContact CZ-CG2 4.29Å; F702-V706 WeakPolarHBondContact O-CG2 3.5Å; F702-V706 PolarHBondContact O-N 2.89Å; F703-V706 PolarHBondContact O-N 3.34Å
707	R	73.3	Confident	81.6	Confident	66 Å²	66	43.6 Å²	43.6	25%	0.249	24%	0.238	C	C	.	.	H	α-helix	trans	-87.7	-42.5	-172	-174.1	179.8	177.5	78.8	4.4	114.5	L203 T205 F703	L203-R707 PolarHBondContact O-NH2 3.46Å; T205-R707 HydrophobicContact CG2-CG 3.59Å; F703-R707 WeakPolarHBondContact O-CB 3.3Å; F703-R707 PolarHBondContact O-N 3.19Å; F703-R707 VanDerWaalsContact O-N 3.08Å
708	S	73.4	Confident	81.4	Confident	36 Å²	36	43.6 Å²	43.6	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-113.8	-1.9	-173.8	-61.6	0	0	0	0	113.1	S704	S704-S708 WeakPolarHBondContact O-CB 3.4Å; S704-S708 PolarHBondContact O-N 3.38Å
709	G	76.9	Confident	81.4	Confident	29 Å²	29	42.5 Å²	42.5	30%	0.299	23%	0.234	S	C	.	.			trans	81.7	163.3	-172.5	0	0	0	0	0	113.3	T705 T711 S715	T705-G709 CarbonylContact O-C 3.57Å; T705-G709 WeakPolarHBondContact O-CA 3.25Å; T705-G709 PolarHBondContact O-N 3.5Å; T705-G709 VanDerWaalsContact O-N 3.08Å; G709-T711 VanDerWaalsContact C-N 3.35Å; G709-S715 WeakPolarHBondContact O-CB 3.35Å; G709-S715 PolarHBondContact O-OG 2.94Å
710	F	78.7	Confident	81.7	Confident	98 Å²	98	45.7 Å²	45.7	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-32	-179.9	-174.9	-106.2	0	0	0	112.8	T705 A712 M716 F719	T705-F710 HydrophobicContact CG2-CB 4.05Å; T705-F710 HydrophobicContact CG2-CD2 4.31Å; F710-A712 VanDerWaalsContact C-N 3.27Å; F710-A712 PolarHBondContact O-N 2.67Å; F710-M716 HydrophobicContact CD1-SD 4.17Å; F710-M716 HydrophobicContact CE1-SD 3.73Å; F710-M716 HydrophobicContact CZ-SD 4.02Å; F710-M716 WeakPolarHBondContact O-CG 3.45Å; F710-F719 HydrophobicContact CE2-CD2 4.37Å; F710-F719 HydrophobicContact CE2-CG 4.35Å; F710-F719 HydrophobicContact CZ-CD1 4.37Å; F710-F719 HydrophobicContact CZ-CG 4.39Å
711	T	78.6	Confident	81.7	Confident	130 Å²	130	46.1 Å²	46.1	80%	0.798	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.5	-176.7	50.2	0	0	0	0	113.9	G709	G709-T711 VanDerWaalsContact C-N 3.35Å
712	A	80.8	Confident	81.9	Confident	23 Å²	23	45.8 Å²	45.8	19%	0.19	26%	0.255	C	S	.	.	S	Bend	trans	-61.6	141.8	174.3	0	0	0	0	0	111.1	F710 T714 S715 M716	F710-A712 VanDerWaalsContact C-N 3.27Å; F710-A712 PolarHBondContact O-N 2.67Å; A712-T714 VanDerWaalsContact C-N 3.27Å; A712-T714 PolarHBondContact O-N 3.21Å; A712-S715 PolarHBondContact O-N 3.25Å; A712-S715 VanDerWaalsContact O-N 3.13Å; A712-M716 PolarHBondContact O-N 3.24Å
713	S	83.9	Confident	82.2	Confident	75 Å²	75	47 Å²	47	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-35.3	-176.5	57.2	0	0	0	0	113.1	F717	S713-F717 WeakPolarHBondContact O-CB 2.82Å; S713-F717 PolarHBondContact O-N 3.37Å
714	T	81.6	Confident	82.6	Confident	12 Å²	12	50.6 Å²	50.6	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-45.6	174.4	50.2	0	0	0	0	112.2	L210 W211 S704 A712 F717 T718	L210-T714 HydrophobicContact CB-CG2 4.26Å; W211-T714 HydrophobicContact CD2-CG2 4.05Å; W211-T714 HydrophobicContact CG-CG2 4.05Å; W211-T714 HydrophobicContact CZ2-CG2 4.38Å; S704-T714 PolarHBondContact OG-OG1 3.44Å; A712-T714 VanDerWaalsContact C-N 3.27Å; A712-T714 PolarHBondContact O-N 3.21Å; T714-F717 PolarHBondContact O-N 2.67Å; T714-T718 WeakPolarHBondContact O-CG2 3.35Å; T714-T718 PolarHBondContact O-N 3.47Å; T714-T718 PolarHBondContact O-OG1 3.44Å
715	S	84.3	Confident	82.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-49	177.1	-58.8	0	0	0	0	110.8	L701 S704 G709 A712 F717 T718 F719	L701-S715 WeakPolarHBondContact CD1-O 3.36Å; S704-S715 WeakPolarHBondContact CB-OG 3.48Å; S704-S715 PolarHBondContact O-OG 2.91Å; S704-S715 PolarHBondContact OG-OG 3.28Å; G709-S715 WeakPolarHBondContact O-CB 3.35Å; G709-S715 PolarHBondContact O-OG 2.94Å; A712-S715 PolarHBondContact O-N 3.25Å; A712-S715 VanDerWaalsContact O-N 3.13Å; S715-F717 PolarHBondContact O-N 3.01Å; S715-T718 PolarHBondContact O-N 3.07Å; S715-T718 PolarHBondContact O-OG1 2.89Å; S715-F719 WeakPolarHBondContact O-CB 3.37Å; S715-F719 PolarHBondContact O-N 2.88Å
716	M	87.1	Confident	83.1	Confident	80 Å²	80	51.5 Å²	51.5	39%	0.394	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-42.2	177.9	-70.9	-62.1	-69.2	0	0	112.4	F710 A712 F719 V720	F710-M716 HydrophobicContact CD1-SD 4.17Å; F710-M716 HydrophobicContact CE1-SD 3.73Å; F710-M716 HydrophobicContact CZ-SD 4.02Å; F710-M716 WeakPolarHBondContact O-CG 3.45Å; A712-M716 PolarHBondContact O-N 3.24Å; M716-F719 PolarHBondContact O-N 3.08Å; M716-V720 WeakPolarHBondContact O-CG2 3.48Å; M716-V720 PolarHBondContact O-N 3.34Å
717	F	86.3	Confident	83.5	Confident	78 Å²	78	53.4 Å²	53.4	34%	0.342	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-48.3	175.8	178.3	-100.9	0	0	0	111.8	W211 S713 T714 S715 F719 V720 V721	W211-F717 HydrophobicContact CH2-CB 4.03Å; W211-F717 HydrophobicContact CH2-CG 4.3Å; W211-F717 HydrophobicContact CZ3-CB 4.02Å; W211-F717 HydrophobicContact CZ3-CD1 4.08Å; W211-F717 HydrophobicContact CZ3-CD2 4.23Å; W211-F717 AromaticContact CZ3-CG 3.84Å; W211-F717 HydrophobicContact CZ3-CG 3.84Å; S713-F717 WeakPolarHBondContact O-CB 2.82Å; S713-F717 PolarHBondContact O-N 3.37Å; T714-F717 PolarHBondContact O-N 2.67Å; S715-F717 PolarHBondContact O-N 3.01Å; F717-F719 VanDerWaalsContact C-N 3.27Å; F717-F719 PolarHBondContact O-N 3.4Å; F717-V720 PolarHBondContact O-N 3.18Å; F717-V721 HydrophobicContact CD1-CG2 4.24Å; F717-V721 HydrophobicContact CD2-CG2 4.45Å; F717-V721 HydrophobicContact CE1-CG2 3.81Å; F717-V721 HydrophobicContact CE2-CG2 4.04Å; F717-V721 HydrophobicContact CZ-CG2 3.7Å; F717-V721 WeakPolarHBondContact O-CG2 3.15Å; F717-V721 PolarHBondContact O-N 3.41Å
718	T	85.4	Confident	83.9	Confident	2 Å²	2	55 Å²	55	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-36.5	177.2	53.4	0	0	0	0	112.8	T214 L701 T714 S715 L722	T214-T718 HydrophobicContact CG2-CG2 3.13Å; L701-T718 WeakPolarHBondContact CD1-OG1 3.4Å; T714-T718 WeakPolarHBondContact O-CG2 3.35Å; T714-T718 PolarHBondContact O-N 3.47Å; T714-T718 PolarHBondContact O-OG1 3.44Å; S715-T718 PolarHBondContact O-N 3.07Å; S715-T718 PolarHBondContact O-OG1 2.89Å; T718-L722 VanDerWaalsContact O-CB 3.23Å; T718-L722 WeakPolarHBondContact O-CB 3.39Å; T718-L722 PolarHBondContact O-N 3.42Å
719	F	88.6	Confident	84	Confident	75 Å²	75	55.2 Å²	55.2	33%	0.329	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-48.4	175.2	179.3	-106.5	0	0	0	111.4	L701 F710 S715 M716 F717 V721 L722 I723	L701-F719 HydrophobicContact CD1-CB 3.89Å; L701-F719 HydrophobicContact CD2-CB 4.32Å; L701-F719 HydrophobicContact CD2-CD2 3.89Å; F710-F719 HydrophobicContact CE2-CD2 4.37Å; F710-F719 HydrophobicContact CE2-CG 4.35Å; F710-F719 HydrophobicContact CZ-CD1 4.37Å; F710-F719 HydrophobicContact CZ-CG 4.39Å; S715-F719 WeakPolarHBondContact O-CB 3.37Å; S715-F719 PolarHBondContact O-N 2.88Å; M716-F719 PolarHBondContact O-N 3.08Å; F717-F719 VanDerWaalsContact C-N 3.27Å; F717-F719 PolarHBondContact O-N 3.4Å; F719-V721 PolarHBondContact O-N 2.87Å; F719-L722 PolarHBondContact O-N 3.08Å; F719-I723 HydrophobicContact CD1-CG1 4.38Å; F719-I723 HydrophobicContact CD2-CG1 4.32Å; F719-I723 HydrophobicContact CE1-CG1 4Å; F719-I723 HydrophobicContact CE2-CD1 4.05Å; F719-I723 HydrophobicContact CE2-CG1 3.95Å; F719-I723 HydrophobicContact CZ-CD1 4.02Å; F719-I723 HydrophobicContact CZ-CG1 3.78Å; F719-I723 WeakPolarHBondContact O-CG1 3.35Å; F719-I723 PolarHBondContact O-N 3.43Å
720	V	89.5	Confident	83.9	Confident	72 Å²	72	58.5 Å²	58.5	44%	0.436	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-46	177.4	171.2	0	0	0	0	110.9	M716 F717 L722 I723 I724	M716-V720 WeakPolarHBondContact O-CG2 3.48Å; M716-V720 PolarHBondContact O-N 3.34Å; F717-V720 PolarHBondContact O-N 3.18Å; V720-L722 PolarHBondContact O-N 2.91Å; V720-I723 PolarHBondContact O-N 3.31Å; V720-I724 HydrophobicContact CG1-CD1 3.69Å; V720-I724 HydrophobicContact CG1-CG1 4.4Å; V720-I724 WeakPolarHBondContact O-CB 3.15Å; V720-I724 VanDerWaalsContact O-CG1 3.26Å; V720-I724 WeakPolarHBondContact O-CG1 3.38Å; V720-I724 PolarHBondContact O-N 2.94Å
721	V	87.2	Confident	83.6	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.085	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-46.3	176	173	0	0	0	0	110.6	F218 L697 F717 F719 I723 I724 T725	F218-V721 HydrophobicContact CD2-CG1 3.69Å; F218-V721 HydrophobicContact CE2-CG1 4.35Å; L697-V721 HydrophobicContact CD1-CG1 4.18Å; L697-V721 HydrophobicContact CD2-CG1 4.33Å; F717-V721 HydrophobicContact CD1-CG2 4.24Å; F717-V721 HydrophobicContact CD2-CG2 4.45Å; F717-V721 HydrophobicContact CE1-CG2 3.81Å; F717-V721 HydrophobicContact CE2-CG2 4.04Å; F717-V721 HydrophobicContact CZ-CG2 3.7Å; F717-V721 WeakPolarHBondContact O-CG2 3.15Å; F717-V721 PolarHBondContact O-N 3.41Å; F719-V721 PolarHBondContact O-N 2.87Å; V721-I723 PolarHBondContact O-N 3.24Å; V721-I724 PolarHBondContact O-N 3.43Å; V721-T725 HydrophobicContact CG1-CG2 4.2Å; V721-T725 WeakPolarHBondContact O-CB 2.85Å; V721-T725 WeakPolarHBondContact O-CG2 3.44Å; V721-T725 PolarHBondContact O-N 3.32Å; V721-T725 PolarHBondContact O-OG1 3.18Å; V721-T725 VanDerWaalsContact O-OG1 3.13Å
722	L	88.9	Confident	83.2	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-47	178	-176.9	66.4	0	0	0	111.4	I694 L697 F698 L701 T718 F719 V720 T725 I726	I694-L722 HydrophobicContact CG2-CD1 3.96Å; L697-L722 HydrophobicContact CB-CD1 3.96Å; F698-L722 HydrophobicContact CB-CD1 4.43Å; F698-L722 HydrophobicContact CB-CD2 4.26Å; F698-L722 HydrophobicContact CD2-CD2 4.22Å; L701-L722 HydrophobicContact CD2-CD2 3.73Å; T718-L722 VanDerWaalsContact O-CB 3.23Å; T718-L722 WeakPolarHBondContact O-CB 3.39Å; T718-L722 PolarHBondContact O-N 3.42Å; F719-L722 PolarHBondContact O-N 3.08Å; V720-L722 PolarHBondContact O-N 2.91Å; L722-T725 WeakPolarHBondContact CA-OG1 3.35Å; L722-T725 PolarHBondContact O-N 2.89Å; L722-T725 PolarHBondContact O-OG1 2.72Å; L722-I726 HydrophobicContact CD1-CD1 4.11Å; L722-I726 HydrophobicContact CD1-CG1 4.41Å; L722-I726 HydrophobicContact CG-CD1 3.87Å; L722-I726 WeakPolarHBondContact O-CB 3.08Å; L722-I726 VanDerWaalsContact O-CG1 3.29Å; L722-I726 WeakPolarHBondContact O-CG1 3.35Å; L722-I726 PolarHBondContact O-N 2.87Å
723	I	88.8	Confident	82.5	Confident	74 Å²	74	58.6 Å²	58.6	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-46.4	177.7	-66.8	-63.6	0	0	0	111.3	F719 V720 V721 T725 I726 V727	F719-I723 HydrophobicContact CD1-CG1 4.38Å; F719-I723 HydrophobicContact CD2-CG1 4.32Å; F719-I723 HydrophobicContact CE1-CG1 4Å; F719-I723 HydrophobicContact CE2-CD1 4.05Å; F719-I723 HydrophobicContact CE2-CG1 3.95Å; F719-I723 HydrophobicContact CZ-CD1 4.02Å; F719-I723 HydrophobicContact CZ-CG1 3.78Å; F719-I723 WeakPolarHBondContact O-CG1 3.35Å; F719-I723 PolarHBondContact O-N 3.43Å; V720-I723 PolarHBondContact O-N 3.31Å; V721-I723 PolarHBondContact O-N 3.24Å; I723-T725 VanDerWaalsContact C-N 3.29Å; I723-T725 PolarHBondContact O-N 3.27Å; I723-I726 PolarHBondContact O-N 3.12Å; I723-V727 HydrophobicContact CG2-CG2 4.29Å; I723-V727 WeakPolarHBondContact O-CB 3.2Å; I723-V727 VanDerWaalsContact O-CG2 3.27Å; I723-V727 WeakPolarHBondContact O-CG2 3.35Å; I723-V727 PolarHBondContact O-N 3.37Å
724	I	87.1	Confident	81.3	Confident	92 Å²	92	58 Å²	58	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-58.2	-44.7	177	-70.3	168.4	0	0	0	110.2	V720 V721 V727 I728	V720-I724 HydrophobicContact CG1-CD1 3.69Å; V720-I724 HydrophobicContact CG1-CG1 4.4Å; V720-I724 WeakPolarHBondContact O-CB 3.15Å; V720-I724 VanDerWaalsContact O-CG1 3.26Å; V720-I724 WeakPolarHBondContact O-CG1 3.38Å; V720-I724 PolarHBondContact O-N 2.94Å; V721-I724 PolarHBondContact O-N 3.43Å; I724-V727 PolarHBondContact O-N 2.89Å; I724-I728 HydrophobicContact CG2-CD1 3.69Å; I724-I728 HydrophobicContact CG2-CG1 4.39Å; I724-I728 WeakPolarHBondContact O-CB 3.5Å; I724-I728 VanDerWaalsContact O-CG1 3.25Å; I724-I728 WeakPolarHBondContact O-CG1 3.31Å; I724-I728 PolarHBondContact O-N 2.88Å
725	T	84.4	Confident	80	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-38.8	-179.2	61.6	0	0	0	0	112.4	L221 L697 V721 L722 I723 I728 C729	L221-T725 HydrophobicContact CD2-CG2 3.22Å; L697-T725 HydrophobicContact CD1-CG2 4.47Å; V721-T725 HydrophobicContact CG1-CG2 4.2Å; V721-T725 WeakPolarHBondContact O-CB 2.85Å; V721-T725 WeakPolarHBondContact O-CG2 3.44Å; V721-T725 PolarHBondContact O-N 3.32Å; V721-T725 PolarHBondContact O-OG1 3.18Å; V721-T725 VanDerWaalsContact O-OG1 3.13Å; L722-T725 WeakPolarHBondContact CA-OG1 3.35Å; L722-T725 PolarHBondContact O-N 2.89Å; L722-T725 PolarHBondContact O-OG1 2.72Å; I723-T725 VanDerWaalsContact C-N 3.29Å; I723-T725 PolarHBondContact O-N 3.27Å; T725-I728 PolarHBondContact O-N 3.14Å; T725-C729 WeakPolarHBondContact O-CB 3.29Å; T725-C729 PolarHBondContact O-N 2.75Å; T725-C729 PolarHBondContact O-SG 2.81Å
726	I	85.1	Confident	78.4	Confident	62 Å²	62	66.2 Å²	66.2	32%	0.318	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-44.9	172.6	-70.2	170	0	0	0	110.2	I694 L722 I723 I728 C729 L730	I694-I726 HydrophobicContact CG2-CG1 4.49Å; L722-I726 HydrophobicContact CD1-CD1 4.11Å; L722-I726 HydrophobicContact CD1-CG1 4.41Å; L722-I726 HydrophobicContact CG-CD1 3.87Å; L722-I726 WeakPolarHBondContact O-CB 3.08Å; L722-I726 VanDerWaalsContact O-CG1 3.29Å; L722-I726 WeakPolarHBondContact O-CG1 3.35Å; L722-I726 PolarHBondContact O-N 2.87Å; I723-I726 PolarHBondContact O-N 3.12Å; I726-I728 VanDerWaalsContact C-N 3.34Å; I726-I728 PolarHBondContact O-N 3.21Å; I726-C729 PolarHBondContact O-N 2.92Å; I726-L730 HydrophobicContact CG2-CD1 3.69Å; I726-L730 HydrophobicContact CG2-CG 4.12Å; I726-L730 VanDerWaalsContact O-CB 3.3Å; I726-L730 WeakPolarHBondContact O-CB 3.29Å; I726-L730 VanDerWaalsContact O-CG 3.29Å; I726-L730 WeakPolarHBondContact O-CG 3.28Å; I726-L730 PolarHBondContact O-N 3.22Å
727	V	84.4	Confident	76.3	Confident	85 Å²	85	69.6 Å²	69.6	52%	0.515	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-40.3	176.8	171	0	0	0	0	111	I723 I724 S731	I723-V727 HydrophobicContact CG2-CG2 4.29Å; I723-V727 WeakPolarHBondContact O-CB 3.2Å; I723-V727 VanDerWaalsContact O-CG2 3.27Å; I723-V727 WeakPolarHBondContact O-CG2 3.35Å; I723-V727 PolarHBondContact O-N 3.37Å; I724-V727 PolarHBondContact O-N 2.89Å; V727-S731 WeakPolarHBondContact O-CA 3.13Å; V727-S731 WeakPolarHBondContact O-CB 3.42Å; V727-S731 PolarHBondContact O-N 2.92Å; V727-S731 PolarHBondContact O-OG 3.16Å
728	I	80.8	Confident	74	Confident	99 Å²	99	71.3 Å²	71.3	51%	0.508	38%	0.38	S	S	.	.	H	α-helix	trans	-66.4	-38.7	174.8	-69.1	167.6	0	0	0	111.3	I724 T725 I726 S731 H732	I724-I728 HydrophobicContact CG2-CD1 3.69Å; I724-I728 HydrophobicContact CG2-CG1 4.39Å; I724-I728 WeakPolarHBondContact O-CB 3.5Å; I724-I728 VanDerWaalsContact O-CG1 3.25Å; I724-I728 WeakPolarHBondContact O-CG1 3.31Å; I724-I728 PolarHBondContact O-N 2.88Å; T725-I728 PolarHBondContact O-N 3.14Å; I726-I728 VanDerWaalsContact C-N 3.34Å; I726-I728 PolarHBondContact O-N 3.21Å; I728-S731 WeakPolarHBondContact CA-OG 3.02Å; I728-S731 PolarHBondContact O-OG 3.46Å; I728-H732 WeakPolarHBondContact O-CB 3.18Å; I728-H732 PolarHBondContact O-N 2.91Å
729	C	75.6	Confident	71.8	Confident	41 Å²	41	76.9 Å²	76.9	28%	0.277	40%	0.404	S	S	.	.	H	α-helix	trans	-70.6	-44.8	177.6	-69.5	0	0	0	0	111.3	I694 T725 I726 S731 H732 V733	I694-C729 VanDerWaalsContact CD1-SG 3.55Å; T725-C729 WeakPolarHBondContact O-CB 3.29Å; T725-C729 PolarHBondContact O-N 2.75Å; T725-C729 PolarHBondContact O-SG 2.81Å; I726-C729 PolarHBondContact O-N 2.92Å; C729-S731 VanDerWaalsContact C-N 3.31Å; C729-S731 PolarHBondContact O-N 3.3Å; C729-H732 PolarHBondContact O-N 3.4Å; C729-V733 WeakPolarHBondContact O-CB 3.26Å; C729-V733 WeakPolarHBondContact O-CG2 3.32Å; C729-V733 PolarHBondContact O-N 2.63Å
730	L	74.8	Confident	69.6	Low	99 Å²	99	82.4 Å²	82.4	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-63.7	-38.1	173.6	-72.3	175	0	0	0	110.7	I726 V733 C734	I726-L730 HydrophobicContact CG2-CD1 3.69Å; I726-L730 HydrophobicContact CG2-CG 4.12Å; I726-L730 VanDerWaalsContact O-CB 3.3Å; I726-L730 WeakPolarHBondContact O-CB 3.29Å; I726-L730 VanDerWaalsContact O-CG 3.29Å; I726-L730 WeakPolarHBondContact O-CG 3.28Å; I726-L730 PolarHBondContact O-N 3.22Å; L730-V733 PolarHBondContact O-N 3.35Å; L730-C734 WeakPolarHBondContact O-CA 3.39Å; L730-C734 WeakPolarHBondContact O-CB 3.4Å; L730-C734 PolarHBondContact O-N 3.17Å; L730-C734 PolarHBondContact O-SG 3.03Å
731	S	72.6	Confident	67.2	Low	41 Å²	41	85.2 Å²	85.2	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-67.6	-42.9	174.5	77.3	0	0	0	0	110.1	V727 I728 C729 V733 F735	V727-S731 WeakPolarHBondContact O-CA 3.13Å; V727-S731 WeakPolarHBondContact O-CB 3.42Å; V727-S731 PolarHBondContact O-N 2.92Å; V727-S731 PolarHBondContact O-OG 3.16Å; I728-S731 WeakPolarHBondContact CA-OG 3.02Å; I728-S731 PolarHBondContact O-OG 3.46Å; C729-S731 VanDerWaalsContact C-N 3.31Å; C729-S731 PolarHBondContact O-N 3.3Å; S731-V733 PolarHBondContact O-N 3.44Å; S731-F735 VanDerWaalsContact O-CA 3.27Å; S731-F735 WeakPolarHBondContact O-CA 3.48Å; S731-F735 WeakPolarHBondContact O-CB 3.47Å; S731-F735 WeakPolarHBondContact O-CD2 3.05Å; S731-F735 PolarHBondContact O-N 3.41Å
732	H	70.1	Confident	64.5	Low	122 Å²	122	87.5 Å²	87.5	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-65.9	-35.8	175.4	-171.1	-91.8	0	0	0	113	I728 C729 G736	I728-H732 WeakPolarHBondContact O-CB 3.18Å; I728-H732 PolarHBondContact O-N 2.91Å; C729-H732 PolarHBondContact O-N 3.4Å; H732-G736 WeakPolarHBondContact O-CA 3.02Å; H732-G736 PolarHBondContact O-N 2.72Å
733	V	66.3	Low	62	Low	90 Å²	90	91 Å²	91	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-75	-50.3	177.6	171.7	0	0	0	0	110.6	C729 L730 S731 G736 H737	C729-V733 WeakPolarHBondContact O-CB 3.26Å; C729-V733 WeakPolarHBondContact O-CG2 3.32Å; C729-V733 PolarHBondContact O-N 2.63Å; L730-V733 PolarHBondContact O-N 3.35Å; S731-V733 PolarHBondContact O-N 3.44Å; V733-G736 CarbonylContact O-C 3.47Å; V733-G736 PolarHBondContact O-N 3.1Å; V733-H737 WeakPolarHBondContact O-CB 2.89Å; V733-H737 PolarHBondContact O-N 2.81Å
734	C	57.8	Low	59.4	Low	61 Å²	61	94.2 Å²	94.2	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-68.6	-51.3	178.5	-65.3	0	0	0	0	111.2	L730 G736 H737 F738	L730-C734 WeakPolarHBondContact O-CA 3.39Å; L730-C734 WeakPolarHBondContact O-CB 3.4Å; L730-C734 PolarHBondContact O-N 3.17Å; L730-C734 PolarHBondContact O-SG 3.03Å; C734-G736 PolarHBondContact O-N 3.47Å; C734-H737 CarbonylContact O-C 3.59Å; C734-H737 WeakPolarHBondContact O-CA 3.14Å; C734-H737 WeakPolarHBondContact O-CB 3.18Å; C734-H737 PolarHBondContact O-N 3.19Å; C734-H737 VanDerWaalsContact O-N 3.09Å; C734-F738 WeakPolarHBondContact O-CD2 3.42Å; C734-F738 PolarHBondContact O-N 2.98Å
735	F	55.8	Low	57	Low	150 Å²	150	93.2 Å²	93.2	66%	0.658	49%	0.492	S	S	*	.	H	α-helix	trans	-68.4	-21	172.3	-67.4	-77.8	0	0	0	112.9	S731 F738 K739	S731-F735 VanDerWaalsContact O-CA 3.27Å; S731-F735 WeakPolarHBondContact O-CA 3.48Å; S731-F735 WeakPolarHBondContact O-CB 3.47Å; S731-F735 WeakPolarHBondContact O-CD2 3.05Å; S731-F735 PolarHBondContact O-N 3.41Å; F735-F738 CarbonylContact O-C 3.6Å; F735-K739 WeakPolarHBondContact O-CA 3.4Å; F735-K739 VanDerWaalsContact O-CB 3.27Å; F735-K739 WeakPolarHBondContact O-CB 3.38Å; F735-K739 PolarHBondContact O-N 2.85Å
736	G	50.2	Low	55	Low	36 Å²	36	98.6 Å²	98.6	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-70.4	-37.8	166.5	0	0	0	0	0	112.2	H732 V733 C734 K739	H732-G736 WeakPolarHBondContact O-CA 3.02Å; H732-G736 PolarHBondContact O-N 2.72Å; V733-G736 CarbonylContact O-C 3.47Å; V733-G736 PolarHBondContact O-N 3.1Å; C734-G736 PolarHBondContact O-N 3.47Å; G736-K739 WeakPolarHBondContact O-CB 3.35Å; G736-K739 PolarHBondContact O-N 2.91Å
737	H	43.6	Very low	52.4	Low	150 Å²	150	101.4 Å²	101.4	69%	0.694	52%	0.522	S	S	*	.	H	α-helix	trans	-71	-37.9	171.6	-138.4	-80.1	0	0	0	111.4	V733 C734 K739 Y740	V733-H737 WeakPolarHBondContact O-CB 2.89Å; V733-H737 PolarHBondContact O-N 2.81Å; C734-H737 CarbonylContact O-C 3.59Å; C734-H737 WeakPolarHBondContact O-CA 3.14Å; C734-H737 WeakPolarHBondContact O-CB 3.18Å; C734-H737 PolarHBondContact O-N 3.19Å; C734-H737 VanDerWaalsContact O-N 3.09Å; H737-K739 VanDerWaalsContact C-N 3.28Å; H737-Y740 VanDerWaalsContact O-CB 3.26Å; H737-Y740 WeakPolarHBondContact O-CB 3.25Å; H737-Y740 PolarHBondContact O-N 3.32Å
738	F	38	Very low	49.8	Very low	114 Å²	114	101 Å²	101	50%	0.5	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-77.7	-8	168	-68.6	-74.8	0	0	0	112.4	C734 F735 Y740 L741 S742	C734-F738 WeakPolarHBondContact O-CD2 3.42Å; C734-F738 PolarHBondContact O-N 2.98Å; F735-F738 CarbonylContact O-C 3.6Å; F738-Y740 PolarHBondContact O-N 2.8Å; F738-L741 HydrophobicContact CD1-CB 4.21Å; F738-L741 HydrophobicContact CD1-CD1 3.49Å; F738-L741 VanDerWaalsContact CD1-CD1 3.49Å; F738-L741 HydrophobicContact CD1-CG 4.48Å; F738-L741 HydrophobicContact CE1-CD1 3.88Å; F738-L741 HydrophobicContact CG-CD1 4.49Å; F738-L741 CarbonylContact O-C 3.48Å; F738-L741 VanDerWaalsContact O-C 3.24Å; F738-L741 VanDerWaalsContact O-CA 3.31Å; F738-L741 WeakPolarHBondContact O-CA 3.04Å; F738-L741 WeakPolarHBondContact O-CB 3.32Å; F738-L741 PolarHBondContact O-N 3.27Å; F738-S742 WeakPolarHBondContact O-CA 3.38Å; F738-S742 VanDerWaalsContact O-CB 3.25Å; F738-S742 WeakPolarHBondContact O-CB 3.47Å; F738-S742 PolarHBondContact O-N 2.89Å
739	K	38.9	Very low	47.8	Very low	120 Å²	120	101.4 Å²	101.4	52%	0.522	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-68.6	-24.7	169.6	-155.2	177.6	-179	-177.4	0	109.9	F735 G736 H737 L741	F735-K739 WeakPolarHBondContact O-CA 3.4Å; F735-K739 VanDerWaalsContact O-CB 3.27Å; F735-K739 WeakPolarHBondContact O-CB 3.38Å; F735-K739 PolarHBondContact O-N 2.85Å; G736-K739 WeakPolarHBondContact O-CB 3.35Å; G736-K739 PolarHBondContact O-N 2.91Å; H737-K739 VanDerWaalsContact C-N 3.28Å; K739-L741 VanDerWaalsContact C-N 3.26Å
740	Y	42.5	Very low	45.9	Very low	191 Å²	191	103.8 Å²	103.8	75%	0.749	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-71.5	-19.1	166.5	-141.7	-88	0	0	0	113.1	H737 F738	H737-Y740 VanDerWaalsContact O-CB 3.26Å; H737-Y740 WeakPolarHBondContact O-CB 3.25Å; H737-Y740 PolarHBondContact O-N 3.32Å; F738-Y740 PolarHBondContact O-N 2.8Å
741	L	37.4	Very low	43.9	Very low	130 Å²	130	103.6 Å²	103.6	68%	0.681	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-8.1	176.8	-74.6	157.9	0	0	0	113	F738 K739	F738-L741 HydrophobicContact CD1-CB 4.21Å; F738-L741 HydrophobicContact CD1-CD1 3.49Å; F738-L741 VanDerWaalsContact CD1-CD1 3.49Å; F738-L741 HydrophobicContact CD1-CG 4.48Å; F738-L741 HydrophobicContact CE1-CD1 3.88Å; F738-L741 HydrophobicContact CG-CD1 4.49Å; F738-L741 CarbonylContact O-C 3.48Å; F738-L741 VanDerWaalsContact O-C 3.24Å; F738-L741 VanDerWaalsContact O-CA 3.31Å; F738-L741 WeakPolarHBondContact O-CA 3.04Å; F738-L741 WeakPolarHBondContact O-CB 3.32Å; F738-L741 PolarHBondContact O-N 3.27Å; K739-L741 VanDerWaalsContact C-N 3.26Å
742	S	32	Very low	42.4	Very low	63 Å²	63	107 Å²	107	44%	0.441	54%	0.541	S	S	.	.			trans	-90.4	122.6	-173.9	-175.7	0	0	0	0	109.2	F738 H744 N745	F738-S742 WeakPolarHBondContact O-CA 3.38Å; F738-S742 VanDerWaalsContact O-CB 3.25Å; F738-S742 WeakPolarHBondContact O-CB 3.47Å; F738-S742 PolarHBondContact O-N 2.89Å; S742-H744 PolarHBondContact O-N 3.41Å; S742-N745 PolarHBondContact O-N 3.03Å
743	A	36.6	Very low	41	Very low	82 Å²	82	105.4 Å²	105.4	68%	0.678	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-4.2	177.2	0	0	0	0	0	114.6	Y746	A743-Y746 WeakPolarHBondContact O-CB 3.37Å; A743-Y746 PolarHBondContact O-N 3.5Å
744	H	34	Very low	39.4	Very low	142 Å²	142	106.3 Å²	106.3	66%	0.657	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-22.8	-179.1	-127.1	64.9	0	0	0	114.8	S742 Y746 K747	S742-H744 PolarHBondContact O-N 3.41Å; H744-Y746 VanDerWaalsContact C-N 3.26Å; H744-K747 PolarHBondContact O-N 3.1Å
745	N	37.2	Very low	38.4	Very low	72 Å²	72	109 Å²	109	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-75.4	-18.9	165.7	-89.2	-2.3	0	0	0	112	S742 K747 T748 D749	S742-N745 PolarHBondContact O-N 3.03Å; N745-K747 PolarHBondContact O-N 3.4Å; N745-T748 PolarHBondContact O-N 3.46Å; N745-D749 PolarHBondContact O-N 3.26Å
746	Y	40.7	Very low	37.6	Very low	120 Å²	120	109.7 Å²	109.7	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-62.6	-26.6	172.3	-152.8	-84.1	0	0	0	111.3	K382 A743 H744 Q750	K382-Y746 PolarHBondContact NZ-OH 2.69Å; A743-Y746 WeakPolarHBondContact O-CB 3.37Å; A743-Y746 PolarHBondContact O-N 3.5Å; H744-Y746 VanDerWaalsContact C-N 3.26Å; Y746-Q750 HydrophobicContact CD1-CG 4.29Å; Y746-Q750 HydrophobicContact CE1-CG 4.48Å; Y746-Q750 WeakPolarHBondContact O-CB 3.39Å; Y746-Q750 VanDerWaalsContact O-CG 3.24Å; Y746-Q750 WeakPolarHBondContact O-CG 3.35Å; Y746-Q750 PolarHBondContact O-N 2.82Å; Y746-Q750 PolarHBondContact O-OE1 3.36Å
747	K	30.8	Very low	36.9	Very low	121 Å²	121	116.2 Å²	116.2	53%	0.526	58%	0.584	S	S	.	*	H	α-helix	trans	-87.7	-32.2	-177.7	-149.3	168.2	-174.7	174.3	0	113.2	H744 N745 Q750 D751	H744-K747 PolarHBondContact O-N 3.1Å; N745-K747 PolarHBondContact O-N 3.4Å; K747-Q750 PolarHBondContact O-N 2.84Å; K747-D751 PolarHBondContact O-N 3.31Å
748	T	31.3	Very low	36.6	Very low	77 Å²	77	112.3 Å²	112.3	47%	0.472	58%	0.584	S	S	.	*	H	α-helix	trans	-71.9	-37	175	-37.7	0	0	0	0	111.9	N745 Q750 E752	N745-T748 PolarHBondContact O-N 3.46Å; T748-Q750 VanDerWaalsContact C-N 3.31Å; T748-E752 WeakPolarHBondContact O-CG 3.16Å; T748-E752 PolarHBondContact O-N 3.32Å
749	D	38.7	Very low	36.2	Very low	107 Å²	107	110 Å²	110	57%	0.572	59%	0.592	S	S	*	*	H	α-helix	trans	-70.7	-24.4	169	-77.1	-16.8	0	0	0	112.3	N745 V753	N745-D749 PolarHBondContact O-N 3.26Å; D749-V753 WeakPolarHBondContact O-CG2 3.29Å; D749-V753 PolarHBondContact O-N 3.37Å
750	Q	34	Very low	35.7	Very low	91 Å²	91	116.1 Å²	116.1	43%	0.425	61%	0.612	S	S	.	*	H	α-helix	trans	-77.3	-40.4	174.3	-88.6	177.8	-37	0	0	112.6	Y746 K747 T748 E752 V753 D754	Y746-Q750 HydrophobicContact CD1-CG 4.29Å; Y746-Q750 HydrophobicContact CE1-CG 4.48Å; Y746-Q750 WeakPolarHBondContact O-CB 3.39Å; Y746-Q750 VanDerWaalsContact O-CG 3.24Å; Y746-Q750 WeakPolarHBondContact O-CG 3.35Å; Y746-Q750 PolarHBondContact O-N 2.82Å; Y746-Q750 PolarHBondContact O-OE1 3.36Å; K747-Q750 PolarHBondContact O-N 2.84Å; T748-Q750 VanDerWaalsContact C-N 3.31Å; Q750-E752 PolarHBondContact O-N 3.26Å; Q750-V753 PolarHBondContact O-N 3.01Å; Q750-D754 PolarHBondContact O-N 3.18Å
751	D	34	Very low	35	Very low	95 Å²	95	112.8 Å²	112.8	51%	0.508	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-27	175	-68.3	-29	0	0	0	111.1	K747 V755	K747-D751 PolarHBondContact O-N 3.31Å; D751-V755 VanDerWaalsContact O-CG2 3.24Å; D751-V755 WeakPolarHBondContact O-CG2 3.08Å; D751-V755 PolarHBondContact O-N 2.99Å
752	E	39.7	Very low	34.4	Very low	112 Å²	112	111.1 Å²	111.1	52%	0.523	62%	0.622	S	S	.	*	H	α-helix	trans	-76.2	-25.6	170.5	-75.1	-177.5	-175	0	0	113.6	T748 Q750	T748-E752 WeakPolarHBondContact O-CG 3.16Å; T748-E752 PolarHBondContact O-N 3.32Å; Q750-E752 PolarHBondContact O-N 3.26Å
753	V	42	Very low	34.1	Very low	90 Å²	90	112.1 Å²	112.1	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-81.9	-38.8	176.5	171	0	0	0	0	111.4	D749 Q750 V755 M756	D749-V753 WeakPolarHBondContact O-CG2 3.29Å; D749-V753 PolarHBondContact O-N 3.37Å; Q750-V753 PolarHBondContact O-N 3.01Å; V753-V755 VanDerWaalsContact C-N 3.35Å; V753-V755 PolarHBondContact O-N 3.41Å; V753-M756 PolarHBondContact O-N 3.44Å
754	D	32.5	Very low	33.7	Very low	109 Å²	109	114.2 Å²	114.2	58%	0.583	64%	0.636	S	S	*	*	H	α-helix	trans	-73.6	-24.5	-178.9	-73.6	-13.4	0	0	0	112.7	Q750 M756	Q750-D754 PolarHBondContact O-N 3.18Å; D754-M756 VanDerWaalsContact C-N 3.32Å
755	V	35.9	Very low	33.2	Very low	117 Å²	117	112.7 Å²	112.7	71%	0.709	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-19.4	172.8	176.6	0	0	0	0	112	D751 V753	D751-V755 VanDerWaalsContact O-CG2 3.24Å; D751-V755 WeakPolarHBondContact O-CG2 3.08Å; D751-V755 PolarHBondContact O-N 2.99Å; V753-V755 VanDerWaalsContact C-N 3.35Å; V753-V755 PolarHBondContact O-N 3.41Å
756	M	39.7	Very low	32.7	Very low	164 Å²	164	113.7 Å²	113.7	81%	0.808	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-15.9	-178.3	-138.8	177.7	-162.9	0	0	113.8	V753 D754 G758	V753-M756 PolarHBondContact O-N 3.44Å; D754-M756 VanDerWaalsContact C-N 3.32Å; M756-G758 PolarHBondContact O-N 3.27Å
757	E	36.4	Very low	32.1	Very low	174 Å²	174	112.1 Å²	112.1	81%	0.813	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-10.4	169.8	-83.6	-167.5	154.3	0	0	113.1
758	G	35.6	Very low	31.9	Very low	68 Å²	68	110.2 Å²	110.2	70%	0.701	67%	0.672	S	S	*	*	S	Bend	trans	-115.3	60.5	-176.9	0	0	0	0	0	115.2	M756	M756-G758 PolarHBondContact O-N 3.27Å
759	G	30.1	Very low	32	Very low	65 Å²	65	114.3 Å²	114.3	67%	0.67	68%	0.683	S	S	*	*	S	Bend	trans	162.5	102.9	162.6	0	0	0	0	0	119.5
760	R	28.2	Very low	32	Very low	248 Å²	248	114 Å²	114	94%	0.936	69%	0.686	S	S	*	*			trans	67.6	108.5	156.8	-68.8	-179	172.6	169.5	-1.6	117.9	A762	R760-A762 PolarHBondContact O-N 3.05Å; R760-A762 VanDerWaalsContact O-N 3.11Å
761	S	28.1	Very low	32.4	Very low	122 Å²	122	114 Å²	114	85%	0.853	69%	0.692	S	S	*	*			trans	-45.6	107.7	160.8	52.4	0	0	0	0	112.3
762	A	25.9	Very low	33.4	Very low	95 Å²	95	113.8 Å²	113.8	79%	0.785	69%	0.688	S	S	*	*			trans	-73.6	126.6	164	0	0	0	0	0	109.1	R760	R760-A762 PolarHBondContact O-N 3.05Å; R760-A762 VanDerWaalsContact O-N 3.11Å
763	S	24.2	Very low	34.5	Very low	84 Å²	84	111.6 Å²	111.6	59%	0.587	68%	0.682	S	S	*	*			trans	-61.5	155.2	175.6	16.9	0	0	0	0	112.1	S765	S763-S765 PolarHBondContact O-N 3.48Å
764	P	28.1	Very low	36.3	Very low	126 Å²	126	107.7 Å²	107.7	82%	0.818	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-71.5	2.7	-171.3	-13.7	28.7	0	0	0	115.6	S766	P764-S766 VanDerWaalsContact C-N 3.32Å; P764-S766 PolarHBondContact O-N 3.36Å
765	S	24.6	Very low	38.6	Very low	110 Å²	110	104.7 Å²	104.7	77%	0.769	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-82.9	3	-169.6	56	0	0	0	0	115.3	S763	S763-S765 PolarHBondContact O-N 3.48Å
766	S	26	Very low	40.5	Very low	92 Å²	92	99.3 Å²	99.3	64%	0.643	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-100.2	9.9	175.4	81.5	0	0	0	0	114.5	P764 A768	P764-S766 VanDerWaalsContact C-N 3.32Å; P764-S766 PolarHBondContact O-N 3.36Å; S766-A768 PolarHBondContact O-N 3.1Å
767	A	27.5	Very low	42.1	Very low	87 Å²	87	97.3 Å²	97.3	72%	0.719	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-10.1	-177.1	0	0	0	0	0	114.4
768	A	26.4	Very low	44	Very low	81 Å²	81	89.7 Å²	89.7	67%	0.669	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	32.9	179.8	0	0	0	0	0	114	S766 T770	S766-A768 PolarHBondContact O-N 3.1Å; A768-T770 PolarHBondContact O-N 3.25Å
769	K	34.2	Very low	46	Very low	164 Å²	164	88.2 Å²	88.2	71%	0.713	54%	0.539	S	S	*	.	S	Bend	trans	-78.9	100.5	160.1	-85.9	-176.9	178.1	177.4	0	107.9	T771	K769-T771 PolarHBondContact O-N 3.4Å
770	T	38.5	Very low	48.1	Very low	101 Å²	101	88.5 Å²	88.5	62%	0.62	52%	0.523	S	S	*	.			trans	2	99.8	167.9	-36.1	0	0	0	0	113.8	A768 Q772	A768-T770 PolarHBondContact O-N 3.25Å; T770-Q772 PolarHBondContact O-N 3.07Å
771	T	42.6	Very low	49.1	Very low	91 Å²	91	82 Å²	82	56%	0.558	51%	0.506	S	S	*	.			trans	-54.3	106.4	169.6	-57	0	0	0	0	108.1	K769 T773	K769-T771 PolarHBondContact O-N 3.4Å; T771-T773 PolarHBondContact O-N 3.45Å
772	Q	55.4	Low	49.7	Very low	90 Å²	90	77.7 Å²	77.7	42%	0.421	48%	0.476	S	S	.	.			trans	-63.7	107.9	176.9	-71	-174	0.6	0	0	108.2	V243 P420 T770 Y774	V243-Q772 VanDerWaalsContact CG2-OE1 3.31Å; P420-Q772 HydrophobicContact CG-CB 4.33Å; T770-Q772 PolarHBondContact O-N 3.07Å; Q772-Y774 WeakPolarHBondContact O-CD2 3.36Å; Q772-Y774 PolarHBondContact O-N 3.15Å
773	T	63.3	Low	49.9	Very low	65 Å²	65	77.4 Å²	77.4	40%	0.399	47%	0.468	S	S	.	.			trans	-75.8	112.5	-175.6	47.9	0	0	0	0	110.7	T771 I775	T771-T773 PolarHBondContact O-N 3.45Å; T773-I775 PolarHBondContact O-N 2.82Å
774	Y	79.6	Confident	50.2	Low	8 Å²	8	77.1 Å²	77.1	3%	0.031	47%	0.466	C	S	.	.			trans	-79.6	61.4	172.3	-79.2	-92	0	0	0	111.5	V243 T246 F368 A417 P418 P420 Q772	V243-Y774 VanDerWaalsContact CB-OH 3.22Å; V243-Y774 WeakPolarHBondContact CB-OH 3.47Å; V243-Y774 HydrophobicContact CG1-CE2 4.03Å; V243-Y774 WeakPolarHBondContact CG2-OH 3.42Å; T246-Y774 HydrophobicContact CG2-CD2 3.85Å; T246-Y774 HydrophobicContact CG2-CE2 3.66Å; T246-Y774 HydrophobicContact CG2-CG 4.39Å; F368-Y774 HydrophobicContact CB-CD1 4.22Å; F368-Y774 HydrophobicContact CB-CG 4.01Å; F368-Y774 AromaticContact CD1-CD1 3.42Å; F368-Y774 HydrophobicContact CD1-CD1 3.42Å; F368-Y774 VanDerWaalsContact CD1-CD1 3.42Å; F368-Y774 AromaticContact CD1-CE1 3.79Å; F368-Y774 HydrophobicContact CD1-CE1 3.79Å; F368-Y774 HydrophobicContact CD1-CG 4.07Å; F368-Y774 HydrophobicContact CD2-CD1 4.1Å; F368-Y774 HydrophobicContact CD2-CG 4.47Å; F368-Y774 AromaticContact CE1-CD1 3.66Å; F368-Y774 HydrophobicContact CE1-CD1 3.66Å; F368-Y774 AromaticContact CE1-CE1 3.85Å; F368-Y774 HydrophobicContact CE1-CE1 3.85Å; F368-Y774 HydrophobicContact CE2-CD1 4.31Å; F368-Y774 AromaticContact CG-CD1 3.65Å; F368-Y774 HydrophobicContact CG-CD1 3.65Å; F368-Y774 HydrophobicContact CG-CE1 4.46Å; F368-Y774 AromaticContact CG-CG 3.94Å; F368-Y774 HydrophobicContact CG-CG 3.94Å; F368-Y774 HydrophobicContact CZ-CD1 4.11Å; A417-Y774 HydrophobicContact CB-CE1 3.84Å; P418-Y774 WeakPolarHBondContact O-CE1 3.45Å; P418-Y774 PolarHBondContact O-OH 2.91Å; P420-Y774 HydrophobicContact CG-CD1 4.14Å; P420-Y774 HydrophobicContact CG-CD2 4.35Å; P420-Y774 HydrophobicContact CG-CE1 3.82Å; P420-Y774 HydrophobicContact CG-CE2 4.04Å; P420-Y774 HydrophobicContact CG-CG 4.4Å; Q772-Y774 WeakPolarHBondContact O-CD2 3.36Å; Q772-Y774 PolarHBondContact O-N 3.15Å
775	I	80.6	Confident	50.5	Low	46 Å²	46	75.7 Å²	75.7	24%	0.236	45%	0.448	C	S	.	.	S	Bend	trans	-135.6	136.3	179.2	-169.8	168.5	0	0	0	109.5	T773 Q777 L779 Q780	T773-I775 PolarHBondContact O-N 2.82Å; I775-Q777 PolarHBondContact O-N 2.03Å; I775-L779 HydrophobicContact CD1-CB 4.18Å; I775-L779 HydrophobicContact CG1-CB 3.97Å; I775-Q780 HydrophobicContact CD1-CG 4.48Å; I775-Q780 HydrophobicContact CG1-CG 4.46Å; I775-Q780 HydrophobicContact CG2-CG 3.59Å; I775-Q780 VanDerWaalsContact CG2-NE2 3.33Å
776	C	75.1	Confident	50.7	Low	5 Å²	5	77.3 Å²	77.3	3%	0.034	44%	0.443	C	S	.	.			trans	-63.6	137.4	175.3	-169.1	0	0	0	0	109.8	V283 M287 W425 V778 L779 Q780	V283-C776 HydrophobicContact CG1-CB 4.28Å; V283-C776 HydrophobicContact CG2-CB 4.36Å; M287-C776 PolarHBondContact SD-SG 3.41Å; W425-C776 HydrophobicContact CD2-CB 4.14Å; W425-C776 HydrophobicContact CE3-CB 4.1Å; W425-C776 HydrophobicContact CG-CB 4.35Å; C776-V778 HydrophobicContact CB-CG2 4.35Å; C776-V778 PolarHBondContact O-N 3.5Å; C776-V778 VanDerWaalsContact O-N 3.09Å; C776-V778 WeakPolarHBondContact SG-CG2 3.4Å; C776-L779 HydrophobicContact CB-CD1 4.32Å; C776-L779 HydrophobicContact CB-CG 4.43Å; C776-L779 WeakPolarHBondContact O-CB 3.05Å; C776-L779 PolarHBondContact O-N 3.25Å; C776-Q780 PolarHBondContact O-N 2.79Å
777	Q	74.5	Confident	50.7	Low	121 Å²	121	77 Å²	77	57%	0.565	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-55.3	-32.5	-176.9	-69	178.9	-3.4	0	0	113.5	I775 L779 Q780	I775-Q777 PolarHBondContact O-N 2.03Å; Q777-L779 PolarHBondContact O-N 2.72Å; Q777-Q780 PolarHBondContact O-N 2.84Å
778	V	76.6	Confident	50.8	Low	14 Å²	14	76.6 Å²	76.6	9%	0.085	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-74.2	-12	178.4	-75.9	0	0	0	0	114.4	V283 L286 M287 S290 Y352 C776	V283-V778 HydrophobicContact CB-CG2 4.37Å; L286-V778 HydrophobicContact CD2-CB 4.14Å; L286-V778 HydrophobicContact CD2-CG2 4.12Å; L286-V778 HydrophobicContact CG-CB 4.34Å; L286-V778 HydrophobicContact CG-CG2 4.39Å; M287-V778 HydrophobicContact CG-CG1 4.41Å; M287-V778 HydrophobicContact CG-CG2 3.58Å; S290-V778 VanDerWaalsContact CB-CG1 3.41Å; S290-V778 WeakPolarHBondContact OG-CG1 3.25Å; Y352-V778 PolarHBondContact OH-O 3.29Å; C776-V778 HydrophobicContact CB-CG2 4.35Å; C776-V778 PolarHBondContact O-N 3.5Å; C776-V778 VanDerWaalsContact O-N 3.09Å; C776-V778 WeakPolarHBondContact SG-CG2 3.4Å
779	L	75.9	Confident	51	Low	38 Å²	38	78 Å²	78	20%	0.199	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-100.8	-8	176	-66.7	178.3	0	0	0	112.7	Y281 V283 L286 I359 I775 C776 Q777	Y281-L779 HydrophobicContact CD2-CD1 4.48Å; V283-L779 HydrophobicContact CG1-CD1 3.46Å; V283-L779 VanDerWaalsContact CG1-CD1 3.46Å; V283-L779 HydrophobicContact CG1-CD2 4.27Å; V283-L779 HydrophobicContact CG1-CG 3.8Å; L286-L779 HydrophobicContact CD2-CD2 4.12Å; I359-L779 HydrophobicContact CD1-CD2 3.92Å; I359-L779 HydrophobicContact CG1-CD2 4.13Å; I359-L779 HydrophobicContact CG2-CD2 4.14Å; I775-L779 HydrophobicContact CD1-CB 4.18Å; I775-L779 HydrophobicContact CG1-CB 3.97Å; C776-L779 HydrophobicContact CB-CD1 4.32Å; C776-L779 HydrophobicContact CB-CG 4.43Å; C776-L779 WeakPolarHBondContact O-CB 3.05Å; C776-L779 PolarHBondContact O-N 3.25Å; Q777-L779 PolarHBondContact O-N 2.72Å
780	Q	73.9	Confident	50.7	Low	71 Å²	71	73.3 Å²	73.3	33%	0.332	45%	0.454	S	S	.	.	S	Bend	trans	-69.1	132	170.9	-67	178.5	-16.4	0	0	108.6	I775 C776 Q777	I775-Q780 HydrophobicContact CD1-CG 4.48Å; I775-Q780 HydrophobicContact CG1-CG 4.46Å; I775-Q780 HydrophobicContact CG2-CG 3.59Å; I775-Q780 VanDerWaalsContact CG2-NE2 3.33Å; C776-Q780 PolarHBondContact O-N 2.79Å; Q777-Q780 PolarHBondContact O-N 2.84Å
781	D	49.2	Very low	50.1	Low	110 Å²	110	77.1 Å²	77.1	59%	0.588	47%	0.47	S	S	*	.			trans	-65.6	134.1	-173.3	-83.1	-38.2	0	0	0	112.3	R356 S783	R356-D781 IonicContact NH2-OD1 2.71Å; R356-D781 PolarHBondContact NH2-OD1 3.32Å; D781-S783 PolarHBondContact O-N 3.39Å
782	P	41.6	Very low	49.3	Very low	33 Å²	33	76.5 Å²	76.5	21%	0.214	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-76.5	5.8	175.6	31.4	-34.8	0	0	0	113.3	R356 S784 E785 E786	R356-P782 VanDerWaalsContact NH1-CD 3.29Å; P782-S784 PolarHBondContact O-N 3.03Å; P782-E785 WeakPolarHBondContact O-CA 3.08Å; P782-E785 PolarHBondContact O-N 2.63Å; P782-E786 PolarHBondContact O-N 3.14Å; P782-E786 VanDerWaalsContact O-N 3.07Å
783	S	29.1	Very low	47.9	Very low	89 Å²	89	81.9 Å²	81.9	62%	0.622	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-62.4	-13.1	178.9	46.8	0	0	0	0	113.5	D781	D781-S783 PolarHBondContact O-N 3.39Å
784	S	31.2	Very low	46.1	Very low	78 Å²	78	85.6 Å²	85.6	55%	0.545	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-93.5	-11.5	167.4	52	0	0	0	0	115	P782	P782-S784 PolarHBondContact O-N 3.03Å
785	E	34.4	Very low	43.5	Very low	95 Å²	95	92.4 Å²	92.4	44%	0.444	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-34.1	177	-72.9	-169	144.4	0	0	112.9	R90 P782	R90-E785 IonicContact CZ-OE1 3.81Å; R90-E785 IonicContact NH1-OE1 2.73Å; R90-E785 PolarHBondContact NH1-OE1 3.22Å; R90-E785 IonicContact NH2-OE1 3.05Å; R90-E785 PolarHBondContact NH2-OE1 3.29Å; P782-E785 WeakPolarHBondContact O-CA 3.08Å; P782-E785 PolarHBondContact O-N 2.63Å
786	E	29.9	Very low	40.9	Very low	144 Å²	144	93.6 Å²	93.6	67%	0.673	59%	0.586	S	S	*	*	S	Bend	trans	-97.4	-15.8	-173.6	-72.3	-177.5	161.9	0	0	114.5	P782 G788	P782-E786 PolarHBondContact O-N 3.14Å; P782-E786 VanDerWaalsContact O-N 3.07Å; E786-G788 PolarHBondContact O-N 3.45Å
787	A	26.3	Very low	38.4	Very low	86 Å²	86	102.9 Å²	102.9	71%	0.711	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	5.3	-178.7	0	0	0	0	0	115
788	G	29.7	Very low	35.9	Very low	78 Å²	78	100.9 Å²	100.9	80%	0.804	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-0.1	177.9	0	0	0	0	0	114.8	E786	E786-G788 PolarHBondContact O-N 3.45Å
789	S	30.4	Very low	33.3	Very low	112 Å²	112	105.6 Å²	105.6	78%	0.783	68%	0.675	S	S	*	*	S	Bend	trans	-138.4	88.5	-177.2	177.7	0	0	0	0	110.5
790	G	27.6	Very low	31.1	Very low	65 Å²	65	108.7 Å²	108.7	67%	0.67	70%	0.699	S	S	*	*			trans	114	96.6	165.5	0	0	0	0	0	113.6
791	N	24.7	Very low	29	Very low	180 Å²	180	113.8 Å²	113.8	96%	0.963	72%	0.723	S	S	*	*				-173.1	120.4	129.1	-92.9	-7.8	0	0	0	109.4
792	G	25.9	Very low	27.8	Very low	79 Å²	79	116.7 Å²	116.7	81%	0.814	74%	0.739	S	S	*	*			trans	176.3	63.3	177.4	0	0	0	0	0	109.9
793	E	27.6	Very low	27.1	Very low	202 Å²	202	124.5 Å²	124.5	94%	0.944	77%	0.772	S	S	*	*			trans	-78.4	112.1	152.4	-73.9	178	147.1	0	0	106.4
794	D	24.8	Very low	27.1	Very low	144 Å²	144	129.1 Å²	129.1	77%	0.77	78%	0.784	S	S	*	*			trans	-164.7	130.3	136.6	-136.5	1.8	0	0	0	111.6
795	D	24.6	Very low	26.9	Very low	150 Å²	150	134 Å²	134	80%	0.802	80%	0.8	S	S	*	*			trans	33.3	130.8	153.7	-68.3	-20.1	0	0	0	123.4
796	G	25.1	Very low	26.5	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	82%	0.822	S	S	*	*			trans	-80.5	149.5	-178.4	0	0	0	0	0	115.4
797	Q	23.4	Very low	26.3	Very low	199 Å²	199	140.6 Å²	140.6	93%	0.93	84%	0.835	S	S	*	*			trans	-172.4	117.6	138.6	-108.7	170.1	2.8	0	0	109.8
798	G	22.2	Very low	26.3	Very low	80 Å²	80	141.7 Å²	141.7	83%	0.825	84%	0.844	S	S	*	*			trans	59.2	136.4	134.1	0	0	0	0	0	121.9
799	S	22.3	Very low	26.1	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	84%	0.844	S	S	*	*			trans	105.7	91.8	146.5	-165.8	0	0	0	0	117.3
800	S	29.9	Very low	26	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	85%	0.845	S	S	*	*			trans	-21.9	123.2	141.1	52.2	0	0	0	0	115.9
801	Q	28.3	Very low	25.8	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	85%	0.854	S	S	*	*			trans	165	102.7	137.9	-94.5	168.4	5.8	0	0	106.5
802	D	24.8	Very low	25.9	Very low	171 Å²	171	148.5 Å²	148.5	91%	0.914	85%	0.852	S	S	*	*			trans	172.4	50.2	149.4	-82.2	-18.9	0	0	0	109.1
803	E	28	Very low	26	Very low	196 Å²	196	151.2 Å²	151.2	92%	0.916	85%	0.853	S	S	*	*			trans	-97.4	89.1	156.9	-84.8	-172.7	143.9	0	0	106.8
804	E	27.9	Very low	25.9	Very low	186 Å²	186	144.9 Å²	144.9	87%	0.869	84%	0.842	S	S	*	*	S	Bend	trans	173.3	67.7	153.9	-102.7	-177.6	174.6	0	0	110.7
805	M	26.8	Very low	26	Very low	181 Å²	181	145.4 Å²	145.4	89%	0.892	85%	0.845	S	S	*	*	S	Bend	trans	-166.2	31.5	156.7	-121.9	-177.5	-63.4	0	0	117.1
806	I	26.2	Very low	26.1	Very low	176 Å²	176	146.1 Å²	146.1	90%	0.903	84%	0.841	S	S	*	*			trans	-135.4	73.1	160.2	-59.4	102	0	0	0	108.9
807	Q	26.4	Very low	26.5	Very low	202 Å²	202	150.4 Å²	150.4	94%	0.944	84%	0.842	S	S	*	*			trans	-145.9	55	167.5	-146.3	178.3	26.4	0	0	111.5
808	A	26.3	Very low	27.1	Very low	109 Å²	109	145.9 Å²	145.9	90%	0.901	83%	0.832	S	S	*	*	S	Bend	trans	-153.8	96.6	165.8	0	0	0	0	0	109.6
809	G	26.1	Very low	27.4	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	82%	0.818	S	S	*	*			trans	162.9	2.2	174.5	0	0	0	0	0	117.6
810	N	26.3	Very low	28.1	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	79%	0.791	S	S	*	*			trans	-109.6	52.2	-175.6	-121	15.4	0	0	0	113.3
811	N	24.7	Very low	28.3	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	78%	0.777	S	S	*	*			trans	-135.6	56.1	177.6	-100.6	-1.4	0	0	0	112.4
812	M	26.6	Very low	28.6	Very low	187 Å²	187	132.5 Å²	132.5	92%	0.921	75%	0.751	S	S	*	*	S	Bend	trans	-161.5	38.5	163	-116.6	178.1	-154.4	0	0	115.7
813	T	27.9	Very low	29.1	Very low	136 Å²	136	129.6 Å²	129.6	83%	0.834	74%	0.735	S	S	*	*			trans	-137.3	38.9	170.2	54.7	0	0	0	0	112.6
814	G	26.3	Very low	29.8	Very low	69 Å²	69	121.4 Å²	121.4	71%	0.711	70%	0.697	S	S	*	*			trans	-87.1	-24.7	-173.6	0	0	0	0	0	116.8
815	D	25.7	Very low	30.4	Very low	155 Å²	155	115.9 Å²	115.9	83%	0.829	67%	0.672	S	S	*	*	S	Bend	trans	-116	15.4	-157.1	-79	-20.1	0	0	0	117.4
816	F	27.5	Very low	31.1	Very low	164 Å²	164	111.3 Å²	111.3	72%	0.719	65%	0.651	S	S	*	*	S	Bend	trans	-119	21.4	-178.6	-94.6	-81.8	0	0	0	116.2	M123	M123-F816 HydrophobicContact CE-CZ 4.3Å
817	Q	33.4	Very low	31.8	Very low	162 Å²	162	106.3 Å²	106.3	76%	0.757	62%	0.624	S	S	*	*	S	Bend	trans	-126.2	9.4	-179.7	-95.4	-175.4	5.3	0	0	116.6	A821	Q817-A821 WeakPolarHBondContact O-CB 3.43Å
818	S	35	Very low	32.7	Very low	104 Å²	104	98.8 Å²	98.8	73%	0.727	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-12.5	-164.5	87.2	0	0	0	0	117.7	S822	S818-S822 PolarHBondContact O-OG 3.34Å
819	G	29.8	Very low	33.5	Very low	51 Å²	51	101.3 Å²	101.3	53%	0.526	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-37.5	-173.5	0	0	0	0	0	115	S822	G819-S822 PolarHBondContact O-OG 3.35Å; G819-S822 VanDerWaalsContact O-OG 3.1Å
820	E	35.7	Very low	33.7	Very low	49 Å²	49	108.1 Å²	108.1	23%	0.229	59%	0.589	C	S	.	*	T	Hydrogen-bonded Turn	trans	-112	-26.2	-169.2	-140.1	-157.2	141.3	0	0	113.5	Y72 K616 S822 L823 I824	Y72-E820 WeakPolarHBondContact CE1-OE1 3.47Å; K616-E820 IonicContact NZ-OE1 2.74Å; K616-E820 PolarHBondContact NZ-OE1 3.02Å; E820-S822 PolarHBondContact O-N 3.21Å; E820-L823 PolarHBondContact O-N 2.87Å; E820-I824 WeakPolarHBondContact O-CG1 3.5Å; E820-I824 PolarHBondContact O-N 3.05Å
821	A	34.9	Very low	34.1	Very low	49 Å²	49	105.9 Å²	105.9	41%	0.405	58%	0.577	S	S	.	*	H	α-helix	trans	-60.1	-38.2	166.6	0	0	0	0	0	110.1	Q817 I824 E825	Q817-A821 WeakPolarHBondContact O-CB 3.43Å; A821-I824 PolarHBondContact O-N 2.94Å; A821-E825 WeakPolarHBondContact O-CB 3.12Å; A821-E825 VanDerWaalsContact O-CG 3.29Å; A821-E825 WeakPolarHBondContact O-CG 3.37Å; A821-E825 PolarHBondContact O-N 3.29Å
822	S	35.3	Very low	34.6	Very low	44 Å²	44	102.9 Å²	102.9	31%	0.308	56%	0.562	S	S	.	*	H	α-helix	trans	-70.8	-32.2	176.1	64.4	0	0	0	0	113.6	S818 G819 E820 N826	S818-S822 PolarHBondContact O-OG 3.34Å; G819-S822 PolarHBondContact O-OG 3.35Å; G819-S822 VanDerWaalsContact O-OG 3.1Å; E820-S822 PolarHBondContact O-N 3.21Å; S822-N826 WeakPolarHBondContact O-CB 3.42Å; S822-N826 PolarHBondContact O-N 3.42Å; S822-N826 PolarHBondContact O-ND2 3.49Å
823	L	35.2	Very low	35	Very low	110 Å²	110	98.3 Å²	98.3	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-72.8	-38.4	173.6	-83.2	163.8	0	0	0	112.5	E820 N826 E827	E820-L823 PolarHBondContact O-N 2.87Å; L823-N826 PolarHBondContact O-N 3.1Å; L823-E827 PolarHBondContact O-N 3.24Å
824	I	41.2	Very low	35.5	Very low	24 Å²	24	96.1 Å²	96.1	12%	0.123	53%	0.525	C	S	.	.	H	α-helix	trans	-75.9	-36.4	175.7	-61.7	169.9	0	0	0	110.6	E820 A821 N826 E827 V828	E820-I824 WeakPolarHBondContact O-CG1 3.5Å; E820-I824 PolarHBondContact O-N 3.05Å; A821-I824 PolarHBondContact O-N 2.94Å; I824-N826 VanDerWaalsContact C-N 3.32Å; I824-E827 PolarHBondContact O-N 3.09Å; I824-V828 WeakPolarHBondContact O-CG2 3.31Å; I824-V828 PolarHBondContact O-N 3.31Å
825	E	41.1	Very low	36	Very low	70 Å²	70	97.8 Å²	97.8	33%	0.327	51%	0.514	S	S	.	.	H	α-helix	trans	-59.8	-41.9	168.2	-86.5	171.1	153.5	0	0	110.8	A821 V828 R829	A821-E825 WeakPolarHBondContact O-CB 3.12Å; A821-E825 VanDerWaalsContact O-CG 3.29Å; A821-E825 WeakPolarHBondContact O-CG 3.37Å; A821-E825 PolarHBondContact O-N 3.29Å; E825-V828 PolarHBondContact O-N 3.39Å; E825-R829 VanDerWaalsContact O-CG 3.25Å; E825-R829 WeakPolarHBondContact O-CG 3.33Å; E825-R829 PolarHBondContact O-N 3.5Å; E825-R829 VanDerWaalsContact O-N 3.14Å
826	N	42.1	Very low	36.7	Very low	85 Å²	85	93.9 Å²	93.9	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-70.5	-29.4	176.4	-75.9	-20.4	0	0	0	113.5	S822 L823 I824	S822-N826 WeakPolarHBondContact O-CB 3.42Å; S822-N826 PolarHBondContact O-N 3.42Å; S822-N826 PolarHBondContact O-ND2 3.49Å; L823-N826 PolarHBondContact O-N 3.1Å; I824-N826 VanDerWaalsContact C-N 3.32Å
827	E	40.4	Very low	37.4	Very low	71 Å²	71	88.9 Å²	88.9	33%	0.332	48%	0.476	S	S	.	.	H	α-helix	trans	-72.9	-27.1	172.3	-82.8	-171.4	157.1	0	0	113	R612 L823 I824	R612-E827 IonicContact CZ-OE2 2.71Å; R612-E827 IonicContact NH1-OE1 2.53Å; R612-E827 PolarHBondContact NH1-OE1 3.32Å; R612-E827 IonicContact NH1-OE2 3.94Å; R612-E827 PolarHBondContact NH1-OE2 3.38Å; L823-E827 PolarHBondContact O-N 3.24Å; I824-E827 PolarHBondContact O-N 3.09Å
828	V	45.2	Very low	37.7	Very low	44 Å²	44	83.3 Å²	83.3	27%	0.267	46%	0.455	S	S	.	.	H	α-helix	trans	-81.1	-22.8	175.2	175.2	0	0	0	0	111.6	L306 T314 A609 I824 E825 Q830	L306-V828 HydrophobicContact CD2-CG1 4.03Å; T314-V828 HydrophobicContact CG2-CG1 4.5Å; A609-V828 HydrophobicContact CB-CG2 3.64Å; I824-V828 WeakPolarHBondContact O-CG2 3.31Å; I824-V828 PolarHBondContact O-N 3.31Å; E825-V828 PolarHBondContact O-N 3.39Å; V828-Q830 VanDerWaalsContact C-N 3.31Å
829	R	42.3	Very low	37.9	Very low	162 Å²	162	81.6 Å²	81.6	61%	0.611	43%	0.432	S	S	*	.			trans	-78.6	-6	175.4	-74	172.5	-176.8	-179.7	0.9	114.7	E310 E825	E310-R829 IonicContact OE1-NE 2.89Å; E310-R829 IonicContact OE1-NH2 3.48Å; E825-R829 VanDerWaalsContact O-CG 3.25Å; E825-R829 WeakPolarHBondContact O-CG 3.33Å; E825-R829 PolarHBondContact O-N 3.5Å; E825-R829 VanDerWaalsContact O-N 3.14Å
830	Q	31.6	Very low	38.6	Very low	220 Å²	220	84.4 Å²	84.4	100%	1.028	42%	0.424	S	S	*	.			trans	-107.8	0	174.3	-74.9	-173.4	-12.1	0	0	110.5	V828	V828-Q830 VanDerWaalsContact C-N 3.31Å

Retrieved 830 of 830 residues in 320 ms (Link to these results)

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