A0A087Y9K9_POEFO Loading...

Protein O-GlcNAcase

Cleaves GlcNAc but not GalNAc from O-glycosylated proteins. Deglycosylates a large and diverse number of proteins, such as CRYAB, ELK1, GSDMD, LMNB1 and TAB1. Can use p-nitrophenyl-beta-GlcNAc and 4-methylumbelliferone-GlcNAc as substrates but not p-nitrophenyl-beta-GalNAc or p-nitrophenyl-alpha-GlcNAc (in vitro). Does not bind acetyl-CoA and does not have histone acetyltransferase activity.

AlphaFold DB , UniProt , Accession A0A087Y9K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 937 aa.

						>A0A087Y9K9_POEFO|A0A087Y9K9
MVQKDKTLDTPPLDVEPSPSPVSGEACVEAPGPVADSSIVVETTGHRKFISGVVEGFYGRPWTMEQRKELFRRQQKWGLNTYLYAPKDDYKHRMFWRELYSVEEAEQLMTLVSAAKEHGIEFIYAISPGLDITFSNQKEVSALKRKLDQVTHFGCKSFALLFDDIDHNMCPADKEVFSSFAHAQVSITNEIYQYLGEPETFLFCPTEYCGTFCYPSVSQSPYLRTVGEKLLPSIDVLWTGPKVVSKDIPVESIEEVSKILRRAPVIWDNFHANDYDQKRLFLGPYKGRSTELIPRLKGVLTNPNCEFESNFVAIHTLATWYKSNMNGVRKDVVMTDGEDSTVSIQIKLENEGSDEELETDMLYSPQLALKLALTEWLAEFSVPLQYNSRQVPQSGAKSTAIDVSSMTAPSLCSSTSVTTVFQQPIMSPAMPPLLLDPLPHALVKTAEEVEEVDVEKKDSDEEPMEMVVEKLDEPEAEADPEEKDVAPILADKMAEDLKPMDTDKESLAESKSPEESIQEDSGSDIAPMQTDDQLKQDLYVPGPDEKPLFTPEPPTLEDLCLLAELFYLPYEHGPKATQMLKEFNWLRANSSVVSVNCKRKESEKVAEWQLRAEKFQDMCCSVIHMFTRLSNTANRTILFDLYPYIWDIKSIMSMVKSFVLWLDGRIHSTSFYCYWIDSGRWCRSQSSAQFPKGEQESWAFRGGLAGEFQRLLPIDGANDLFYQPPPSLPTSKIYTIRPYYPKDETAVYKICKEMYCEGMEDEPFAEGEPDLIGDRLVGGLLTVSSDYGFVLEDDEGICGYALGTVDVKPFIKKCKLSWIPFMQEKYHKPDCEKDLSEAEKMILSFHEEEEGLPDSFLSNFPSLIKVDIHAKVTDPSVAKSMMGCLLSSLKANGSQGAFCKVRQTDKRMLEFYSKLGCFEVAKMDGFPKDVIIMGRSL
					

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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	28	Very low	36	Very low	235 Å²	235	149.3 Å²	149.3	100%	1.158	78%	0.781	S	S	*	*				0	131.2	0	-76.5	159.5	61.7	0	0	108.1
2	V	33.6	Very low	37.7	Very low	130 Å²	130	145.6 Å²	145.6	79%	0.788	77%	0.772	S	S	*	*			trans	38.7	146.5	153.3	-153.2	0	0	0	0	121.1
3	Q	30.8	Very low	37.5	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	77%	0.773	S	S	*	*			trans	86.1	117.3	172	-53.1	-175.1	-18.3	0	0	115
4	K	38.8	Very low	37.4	Very low	172 Å²	172	145.3 Å²	145.3	75%	0.748	77%	0.77	S	S	*	*			cis	108.4	125.5	-0.1	-152.6	-167.6	-175.4	-71.8	0	117
5	D	41.9	Very low	36.8	Very low	102 Å²	102	144.7 Å²	144.7	55%	0.545	77%	0.774	S	S	.	*			trans	84.3	125.7	158	-72	-13.3	0	0	0	123.5
6	K	39	Very low	36.3	Very low	178 Å²	178	146.6 Å²	146.6	77%	0.774	78%	0.777	S	S	*	*			trans	76.5	153.1	143.6	-68.4	169.7	-175.3	176.4	0	119.3
7	T	31.1	Very low	36.9	Very low	115 Å²	115	144.9 Å²	144.9	71%	0.706	78%	0.776	S	S	*	*			cis	-153.8	137.7	2.6	8.5	0	0	0	0	108.1
8	L	37.3	Very low	36.5	Very low	146 Å²	146	142.9 Å²	142.9	76%	0.764	78%	0.775	S	S	*	*				74.4	114.9	79.6	-149.2	-178.3	0	0	0	114.9
9	D	28.3	Very low	37.2	Very low	160 Å²	160	141 Å²	141	86%	0.856	77%	0.771	S	S	*	*			trans	-160	176	152.5	-133.2	-32.7	0	0	0	113.6
10	T	27.7	Very low	36.9	Very low	107 Å²	107	139.7 Å²	139.7	66%	0.656	77%	0.773	S	S	*	*			trans	-132.4	-158.1	-149.6	-27.5	0	0	0	0	117.2
11	P	59.8	Low	37.4	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	78%	0.776	S	S	*	*				-100.6	-152.4	-126.1	44.4	-25.8	0	0	0	114.7
12	P	56.4	Low	37.5	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	76%	0.76	S	S	*	*			cis	-143.7	179.8	-0.3	44.1	-23.4	0	0	0	119.6
13	L	35.2	Very low	37.4	Very low	149 Å²	149	134 Å²	134	78%	0.78	76%	0.763	S	S	*	*			trans	14	153.4	138.6	-52.1	176.3	0	0	0	121.2
14	D	35.6	Very low	37.2	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	76%	0.758	S	S	*	*			cis	-167.6	-174.2	5.9	-127.5	-34.6	0	0	0	113.2
15	V	28.6	Very low	36.6	Very low	136 Å²	136	130.1 Å²	130.1	82%	0.824	77%	0.767	S	S	*	*			trans	110.9	133	153.4	-172.1	0	0	0	0	121.2
16	E	28.2	Very low	35.8	Very low	175 Å²	175	129.3 Å²	129.3	82%	0.818	78%	0.775	S	S	*	*			trans	-58.9	-171.8	174.7	-70.7	-167.2	143.8	0	0	119.1
17	P	46.9	Very low	35.1	Very low	118 Å²	118	126.7 Å²	126.7	77%	0.766	78%	0.777	S	S	*	*			cis	-136.5	-171.7	3.5	22.6	5.8	0	0	0	118.7
18	S	29.2	Very low	34.9	Very low	109 Å²	109	127.4 Å²	127.4	76%	0.762	78%	0.781	S	S	*	*			trans	-88.4	-161.8	177.1	60.9	0	0	0	0	113.6
19	P	51.1	Low	34.3	Very low	107 Å²	107	129.6 Å²	129.6	70%	0.695	79%	0.787	S	S	*	*			cis	-145.4	173.4	-0.8	44.7	-25.6	0	0	0	119.5
20	S	30.6	Very low	34.3	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	78%	0.783	S	S	*	*			trans	54.1	172.6	142.5	-63.7	0	0	0	0	122.3
21	P	47.2	Very low	34.4	Very low	128 Å²	128	127.6 Å²	127.6	83%	0.831	79%	0.793	S	S	*	*			cis	-133.3	-146.2	9.3	45.1	-24.7	0	0	0	116.4
22	V	30.2	Very low	32.7	Very low	136 Å²	136	124.9 Å²	124.9	82%	0.824	79%	0.785	S	S	*	*			trans	-138	149.4	-156.5	172.9	0	0	0	0	113.9
23	S	31.8	Very low	31.3	Very low	122 Å²	122	126.5 Å²	126.5	85%	0.853	80%	0.795	S	S	*	*			trans	158.1	149.7	136.5	49.8	0	0	0	0	114.4
24	G	25.5	Very low	31	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	80%	0.799	S	S	*	*			trans	157.6	154.3	174	0	0	0	0	0	115.1
25	E	26.6	Very low	30.5	Very low	201 Å²	201	123.8 Å²	123.8	94%	0.939	80%	0.799	S	S	*	*			trans	-148.2	172.3	-172.1	-47.3	177.4	61.2	0	0	109.8
26	A	25.3	Very low	30.3	Very low	85 Å²	85	125 Å²	125	70%	0.702	80%	0.801	S	S	*	*			cis	-157.3	161.7	7.6	0	0	0	0	0	113
27	C	23.7	Very low	30.2	Very low	122 Å²	122	121.7 Å²	121.7	82%	0.824	80%	0.797	S	S	*	*			trans	57.1	130.2	145.6	-117.3	0	0	0	0	123.8
28	V	26.8	Very low	29.1	Very low	130 Å²	130	121.2 Å²	121.2	79%	0.788	80%	0.797	S	S	*	*			trans	70.9	107.4	154.9	-164.2	0	0	0	0	119.7
29	E	26	Very low	29.1	Very low	193 Å²	193	122.9 Å²	122.9	90%	0.902	80%	0.796	S	S	*	*				-165.1	178.3	114.5	-110.9	-174.9	175	0	0	111.6
30	A	28.2	Very low	27.9	Very low	93 Å²	93	123.9 Å²	123.9	77%	0.769	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-84.7	155	-164.2	0	0	0	0	0	115.2
31	P	28.6	Very low	27.8	Very low	132 Å²	132	123.7 Å²	123.7	86%	0.857	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-80.3	133.4	-175.2	31.5	-35	0	0	0	114
32	G	25.2	Very low	26.7	Very low	55 Å²	55	125.8 Å²	125.8	57%	0.567	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.5	167.1	157.8	0	0	0	0	0	111.9	V34	G32-V34 PolarHBondContact O-N 3.36Å
33	P	27.5	Very low	26.7	Very low	138 Å²	138	125.6 Å²	125.6	90%	0.896	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.9	130.5	-175.9	28.3	-34.6	0	0	0	112
34	V	27.4	Very low	26.8	Very low	141 Å²	141	124.9 Å²	124.9	86%	0.855	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-92.8	137.1	172.1	-178.5	0	0	0	0	108.6	G32	G32-V34 PolarHBondContact O-N 3.36Å
35	A	26.6	Very low	27.3	Very low	90 Å²	90	125.3 Å²	125.3	74%	0.744	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.3	150.6	-179.1	0	0	0	0	0	112.6	S37	A35-S37 PolarHBondContact O-N 3.43Å
36	D	24.5	Very low	28.4	Very low	160 Å²	160	122.9 Å²	122.9	86%	0.856	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-58.1	117.8	179.5	-65.4	-68.4	0	0	0	112.6	S38	D36-S38 PolarHBondContact O-N 2.98Å
37	S	25	Very low	30.6	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	77%	0.767	S	S	*	*			trans	-77.3	98	164.3	57.7	0	0	0	0	109	A35 I39	A35-S37 PolarHBondContact O-N 3.43Å; S37-I39 PolarHBondContact O-N 3Å
38	S	25.3	Very low	33.5	Very low	108 Å²	108	123.1 Å²	123.1	76%	0.755	74%	0.742	S	S	*	*			trans	-63.1	103.5	178.5	41.9	0	0	0	0	111.6	D36 V40	D36-S38 PolarHBondContact O-N 2.98Å; S38-V40 PolarHBondContact O-N 3.09Å; S38-V40 VanDerWaalsContact O-N 3.13Å
39	I	28	Very low	36.8	Very low	145 Å²	145	117.3 Å²	117.3	74%	0.744	71%	0.706	S	S	*	*			trans	-68.9	108.9	171.9	-61.3	177.2	0	0	0	108	S37 V41	S37-I39 PolarHBondContact O-N 3Å; I39-V41 HydrophobicContact CG2-CG2 4.2Å; I39-V41 PolarHBondContact O-N 3.04Å; I39-V41 VanDerWaalsContact O-N 3.09Å
40	V	26.8	Very low	40.2	Very low	127 Å²	127	108.2 Å²	108.2	77%	0.77	66%	0.664	S	S	*	*			trans	-72.6	99.6	169	179	0	0	0	0	107.8	S38 E42	S38-V40 PolarHBondContact O-N 3.09Å; S38-V40 VanDerWaalsContact O-N 3.13Å; V40-E42 PolarHBondContact O-N 3.18Å
41	V	28.1	Very low	43.5	Very low	112 Å²	112	103.9 Å²	103.9	68%	0.679	63%	0.628	S	S	*	*			trans	-74.4	112.6	172.5	178.4	0	0	0	0	108.5	I39 T43	I39-V41 HydrophobicContact CG2-CG2 4.2Å; I39-V41 PolarHBondContact O-N 3.04Å; I39-V41 VanDerWaalsContact O-N 3.09Å; V41-T43 PolarHBondContact O-N 3.42Å
42	E	22.8	Very low	46.8	Very low	172 Å²	172	97.6 Å²	97.6	80%	0.804	59%	0.587	S	S	*	*			trans	-67.1	118.9	171.4	-68.6	-167.9	131	0	0	110	V40 T44	V40-E42 PolarHBondContact O-N 3.18Å; E42-T44 VanDerWaalsContact C-N 3.34Å; E42-T44 PolarHBondContact O-N 3.43Å
43	T	30.6	Very low	50.3	Low	132 Å²	132	95 Å²	95	81%	0.81	56%	0.56	S	S	*	*			trans	-78.9	77.4	-175.4	38.3	0	0	0	0	112.2	V41 G45	V41-T43 PolarHBondContact O-N 3.42Å; T43-G45 PolarHBondContact O-N 3.01Å; T43-G45 VanDerWaalsContact O-N 3.15Å
44	T	33.6	Very low	53.7	Low	106 Å²	106	88.4 Å²	88.4	65%	0.65	52%	0.518	S	S	*	.			trans	-54.7	117.3	160.7	52.3	0	0	0	0	108.8	E42 H46	E42-T44 VanDerWaalsContact C-N 3.34Å; E42-T44 PolarHBondContact O-N 3.43Å; T44-H46 PolarHBondContact O-N 2.87Å; T44-H46 PolarHBondContact O-ND1 2.93Å
45	G	36.2	Very low	57.1	Low	84 Å²	84	81.7 Å²	81.7	87%	0.866	48%	0.477	S	S	*	.			trans	-55.3	102.2	-162.1	0	0	0	0	0	115.1	T43	T43-G45 PolarHBondContact O-N 3.01Å; T43-G45 VanDerWaalsContact O-N 3.15Å
46	H	51.2	Low	60.4	Low	150 Å²	150	77.5 Å²	77.5	69%	0.694	44%	0.442	S	S	*	.			trans	-71.9	134.7	178.5	-71.7	19.2	0	0	0	111.2	T44 K48	T44-H46 PolarHBondContact O-N 2.87Å; T44-H46 PolarHBondContact O-ND1 2.93Å; H46-K48 PolarHBondContact O-N 3.11Å
47	R	70	Confident	63.7	Low	140 Å²	140	69.9 Å²	69.9	53%	0.528	40%	0.401	S	S	.	.			trans	-65.9	115.3	171.8	171.7	-178.9	174.9	164.4	-4.7	109.4	F49 P294 L296	R47-F49 PolarHBondContact O-N 3.15Å; R47-P294 PolarHBondContact NH1-O 3.05Å; R47-P294 PolarHBondContact NH2-O 2.89Å; R47-L296 PolarHBondContact NH2-O 2.94Å
48	K	85.8	Confident	66.9	Low	72 Å²	72	69.4 Å²	69.4	31%	0.313	38%	0.384	S	S	.	.			trans	-65.9	96.5	174.2	-171.3	-173.4	179.6	-168.3	0	110.7	H46 E121 E199 T200 K297	H46-K48 PolarHBondContact O-N 3.11Å; K48-E121 WeakPolarHBondContact CE-OE2 3.25Å; K48-E121 IonicContact NZ-OE1 2.74Å; K48-E121 PolarHBondContact NZ-OE1 3.32Å; K48-E121 IonicContact NZ-OE2 2.75Å; K48-E121 PolarHBondContact NZ-OE2 2.58Å; K48-E199 WeakPolarHBondContact CD-OE1 3.17Å; K48-E199 WeakPolarHBondContact CE-OE1 3.33Å; K48-E199 IonicContact NZ-OE1 3.46Å; K48-E199 PolarHBondContact NZ-OE1 3.21Å; K48-T200 PolarHBondContact NZ-OG1 2.95Å; K48-T200 VanDerWaalsContact NZ-OG1 3.08Å; K48-K297 PolarHBondContact O-NZ 2.87Å
49	F	95.8	Very high	69.9	Low	8 Å²	8	65.5 Å²	65.5	4%	0.035	36%	0.361	C	S	.	.			trans	-97	130.1	175.2	-173.4	-88.4	0	0	0	109.8	R47 N80 I293 L296 K297 V299 Y321	R47-F49 PolarHBondContact O-N 3.15Å; F49-N80 PolarHBondContact O-ND2 3.42Å; F49-I293 HydrophobicContact CD2-CG2 4.4Å; F49-I293 HydrophobicContact CE2-CG2 4.04Å; F49-I293 WeakPolarHBondContact CE2-O 3.33Å; F49-I293 HydrophobicContact CZ-CG2 4.27Å; F49-L296 HydrophobicContact CE2-CB 4.03Å; F49-L296 HydrophobicContact CZ-CB 4.46Å; F49-K297 WeakPolarHBondContact CA-O 3.4Å; F49-V299 HydrophobicContact CZ-CG2 4.22Å; F49-Y321 HydrophobicContact CB-CE2 4.26Å; F49-Y321 AromaticContact CD1-CD2 3.81Å; F49-Y321 HydrophobicContact CD1-CD2 3.81Å; F49-Y321 AromaticContact CD1-CE2 3.27Å; F49-Y321 HydrophobicContact CD1-CE2 3.27Å; F49-Y321 AromaticContact CD1-CZ 3.92Å; F49-Y321 AromaticContact CE1-CD2 3.71Å; F49-Y321 HydrophobicContact CE1-CD2 3.71Å; F49-Y321 AromaticContact CE1-CE2 3.68Å; F49-Y321 HydrophobicContact CE1-CE2 3.68Å; F49-Y321 AromaticContact CG-CE2 3.9Å; F49-Y321 HydrophobicContact CG-CE2 3.9Å
50	I	97.5	Very high	73	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.9	178.5	-75.6	163.8	0	0	0	108.6	T81 T200 L202 V265 K297 G298 V299 L300	I50-T81 HydrophobicContact CG2-CG2 3.93Å; I50-T200 HydrophobicContact CD1-CG2 3.91Å; I50-L202 HydrophobicContact CD1-CD2 4.17Å; I50-V265 HydrophobicContact CD1-CG2 4.06Å; I50-V265 HydrophobicContact CG2-CG1 4.07Å; I50-K297 PolarHBondContact N-O 2.9Å; I50-G298 CarbonylContact O-C 3.29Å; I50-G298 WeakPolarHBondContact O-CA 3.41Å; I50-V299 PolarHBondContact O-N 3.19Å; I50-L300 HydrophobicContact CG2-CD1 4.13Å; I50-L300 HydrophobicContact CG2-CD2 3.68Å; I50-L300 HydrophobicContact CG2-CG 3.79Å
51	S	97.6	Very high	76.2	Confident	3 Å²	3	65 Å²	65	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	125.6	-179	60.1	0	0	0	0	110.9	N80 T81 V299	S51-N80 PolarHBondContact N-OD1 2.93Å; S51-N80 PolarHBondContact O-N 2.91Å; S51-N80 PolarHBondContact O-OD1 3.12Å; S51-N80 VanDerWaalsContact OG-CG 3.3Å; S51-N80 PolarHBondContact OG-ND2 3.35Å; S51-N80 PolarHBondContact OG-OD1 2.76Å; S51-T81 PolarHBondContact O-N 3.29Å; S51-V299 WeakPolarHBondContact CA-O 3.11Å
52	G	98.4	Very high	79.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-138.8	179.1	0	0	0	0	0	114.5	T81 V299 L300 T301	G52-T81 WeakPolarHBondContact CA-O 3.46Å; G52-V299 PolarHBondContact N-O 2.97Å; G52-V299 VanDerWaalsContact N-O 3.14Å; G52-L300 WeakPolarHBondContact O-CA 3.24Å; G52-T301 PolarHBondContact O-N 2.85Å
53	V	98.9	Very high	83	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.2	-168.2	178.7	0	0	0	0	111.5	W62 L70 Q74 T81 Y82 L83 T301 P303 I314	V53-W62 HydrophobicContact CG1-CH2 3.91Å; V53-W62 HydrophobicContact CG1-CZ3 3.96Å; V53-L70 HydrophobicContact CB-CD1 4.45Å; V53-L70 HydrophobicContact CB-CD2 4.26Å; V53-L70 HydrophobicContact CG1-CD2 4.07Å; V53-L70 HydrophobicContact CG2-CD1 4.08Å; V53-Q74 VanDerWaalsContact N-OE1 3.13Å; V53-T81 PolarHBondContact N-O 3.42Å; V53-Y82 WeakPolarHBondContact O-CA 3.18Å; V53-L83 PolarHBondContact O-N 2.88Å; V53-T301 WeakPolarHBondContact CA-O 3.46Å; V53-T301 HydrophobicContact CG2-CG2 3.98Å; V53-P303 HydrophobicContact CG1-CG 4.24Å; V53-I314 HydrophobicContact CG2-CD1 3.89Å; V53-I314 HydrophobicContact CG2-CG1 3.83Å; V53-I314 HydrophobicContact CG2-CG2 4.16Å
54	V	98.8	Very high	86	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.2	162.2	53.6	0	0	0	0	108.8	G56 L83 A85 W267 L300 T301 N302	V54-G56 PolarHBondContact O-N 3.36Å; V54-L83 WeakPolarHBondContact CA-O 3.32Å; V54-L83 HydrophobicContact CB-CB 3.91Å; V54-L83 HydrophobicContact CB-CD2 4.07Å; V54-L83 HydrophobicContact CB-CG 4.24Å; V54-L83 HydrophobicContact CG2-CB 3.92Å; V54-L83 HydrophobicContact CG2-CD2 3.67Å; V54-L83 HydrophobicContact CG2-CG 3.75Å; V54-A85 HydrophobicContact CG2-CB 4Å; V54-W267 HydrophobicContact CG1-CD2 4.06Å; V54-W267 HydrophobicContact CG1-CE3 4.42Å; V54-W267 HydrophobicContact CG1-CG 4.41Å; V54-W267 HydrophobicContact CG1-CZ2 4.41Å; V54-W267 HydrophobicContact CG2-CE3 4.2Å; V54-W267 HydrophobicContact CG2-CH2 3.73Å; V54-W267 HydrophobicContact CG2-CZ2 4.06Å; V54-W267 HydrophobicContact CG2-CZ3 3.81Å; V54-L300 HydrophobicContact CB-CB 4.29Å; V54-L300 HydrophobicContact CG1-CB 4.16Å; V54-T301 WeakPolarHBondContact CG1-O 3.18Å; V54-T301 PolarHBondContact N-O 3.46Å; V54-N302 HydrophobicContact CG1-CB 3.74Å; V54-N302 PolarHBondContact O-OD1 3.5Å
55	E	98.5	Very high	88.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	88.3	164.7	-172.5	-176.5	152.1	0	0	106.5	F57 P61 W62 R67 Y82 L83 A85 P86	E55-F57 HydrophobicContact CG-CE1 3.79Å; E55-F57 HydrophobicContact CG-CZ 3.8Å; E55-P61 WeakPolarHBondContact OE1-CA 3.47Å; E55-P61 WeakPolarHBondContact OE1-CB 3.48Å; E55-W62 HydrophobicContact CB-CE3 3.94Å; E55-W62 HydrophobicContact CB-CZ3 3.86Å; E55-W62 HydrophobicContact CG-CD2 4.07Å; E55-W62 HydrophobicContact CG-CE3 3.66Å; E55-W62 HydrophobicContact CG-CZ3 3.99Å; E55-W62 PolarHBondContact OE1-N 3.31Å; E55-R67 IonicContact OE1-CZ 3.55Å; E55-R67 IonicContact OE1-NE 2.89Å; E55-R67 PolarHBondContact OE1-NE 2.99Å; E55-R67 IonicContact OE1-NH2 2.72Å; E55-R67 PolarHBondContact OE1-NH2 3.22Å; E55-R67 IonicContact OE2-CZ 2.89Å; E55-R67 IonicContact OE2-NE 2.78Å; E55-R67 PolarHBondContact OE2-NE 3.29Å; E55-R67 IonicContact OE2-NH2 3.58Å; E55-R67 PolarHBondContact OE2-NH2 2.86Å; E55-Y82 HydrophobicContact CB-CE2 4.03Å; E55-Y82 PolarHBondContact OE2-OH 3.12Å; E55-L83 PolarHBondContact N-O 3.36Å; E55-A85 CarbonylContact O-C 3.56Å; E55-A85 VanDerWaalsContact O-CA 3.27Å; E55-A85 WeakPolarHBondContact O-CA 3.32Å; E55-A85 PolarHBondContact O-N 3.33Å; E55-P86 HydrophobicContact CG-CB 4.31Å; E55-P86 WeakPolarHBondContact O-CA 3.28Å; E55-P86 WeakPolarHBondContact O-CD 3.42Å
56	G	96	Very high	91.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.01	21%	0.208	C	C	.	.			trans	-133.6	6	-166.6	0	0	0	0	0	115.8	V54 K87 N302	V54-G56 PolarHBondContact O-N 3.36Å; G56-K87 WeakPolarHBondContact O-CG 3.47Å; G56-K87 PolarHBondContact O-NZ 2.79Å; G56-N302 WeakPolarHBondContact CA-OD1 3.02Å; G56-N302 PolarHBondContact N-OD1 2.99Å; G56-N302 VanDerWaalsContact N-OD1 3.13Å
57	F	94.1	Very high	94.1	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	18%	0.178	C	C	.	.			trans	-76.7	167.2	177.4	53.1	-100.3	0	0	0	113	E55 W62 K87 D274 N302 C305	E55-F57 HydrophobicContact CG-CE1 3.79Å; E55-F57 HydrophobicContact CG-CZ 3.8Å; F57-W62 HydrophobicContact CE1-CD2 4.28Å; F57-W62 AromaticContact CE1-CE2 3.67Å; F57-W62 AromaticContact CE1-CH2 3.98Å; F57-W62 HydrophobicContact CE1-CH2 3.98Å; F57-W62 AromaticContact CE1-CZ2 3.51Å; F57-W62 HydrophobicContact CE1-CZ2 3.51Å; F57-W62 HydrophobicContact CZ-CD2 4.09Å; F57-W62 AromaticContact CZ-CE2 3.65Å; F57-W62 HydrophobicContact CZ-CG 4.32Å; F57-W62 HydrophobicContact CZ-CZ2 4.01Å; F57-W62 AromaticContact CZ-NE1 3.59Å; F57-K87 WeakPolarHBondContact O-CB 3.31Å; F57-K87 WeakPolarHBondContact O-CG 3.49Å; F57-K87 PolarHBondContact O-N 2.74Å; F57-D274 VanDerWaalsContact CA-OD2 3.31Å; F57-D274 WeakPolarHBondContact CA-OD2 3.34Å; F57-D274 HydrophobicContact CB-CB 4.16Å; F57-D274 WeakPolarHBondContact CB-OD2 3.37Å; F57-N302 PolarHBondContact N-OD1 3.41Å; F57-N302 VanDerWaalsContact N-OD1 3.11Å; F57-C305 HydrophobicContact CD2-CB 4.35Å; F57-C305 HydrophobicContact CE2-CB 4.35Å
58	Y	90.6	Very high	95.4	Very high	95 Å²	95	36.3 Å²	36.3	37%	0.373	17%	0.169	S	C	.	.	S	Bend	trans	-86.4	150.1	169.8	-71.4	-88.1	0	0	0	112.4	K87 D164 D274	Y58-K87 HydrophobicContact CD1-CB 3.55Å; Y58-K87 HydrophobicContact CD1-CG 3.9Å; Y58-K87 HydrophobicContact CD2-CB 4.48Å; Y58-K87 HydrophobicContact CD2-CG 3.99Å; Y58-K87 HydrophobicContact CE1-CB 3.7Å; Y58-K87 HydrophobicContact CE1-CD 4.08Å; Y58-K87 HydrophobicContact CE1-CG 3.81Å; Y58-K87 HydrophobicContact CE2-CD 4.17Å; Y58-K87 HydrophobicContact CE2-CG 3.88Å; Y58-K87 HydrophobicContact CG-CB 3.98Å; Y58-K87 HydrophobicContact CG-CG 4Å; Y58-D164 PolarHBondContact OH-OD2 2.89Å; Y58-D274 PolarHBondContact N-OD2 3.45Å
59	G	89.7	Confident	96	Very high	27 Å²	27	33.8 Å²	33.8	28%	0.278	16%	0.158	S	C	.	.	S	Bend	trans	97.9	-169.6	-177	0	0	0	0	0	113.8	P61 D88	G59-P61 VanDerWaalsContact O-CD 3.25Å; G59-P61 WeakPolarHBondContact O-CD 3.46Å; G59-P61 VanDerWaalsContact O-N 3.14Å; G59-D88 WeakPolarHBondContact CA-OD2 3.27Å; G59-D88 VanDerWaalsContact N-CG 3.26Å; G59-D88 PolarHBondContact N-OD1 2.87Å; G59-D88 PolarHBondContact N-OD2 3.47Å; G59-D88 VanDerWaalsContact O-CB 3.32Å; G59-D88 WeakPolarHBondContact O-CB 3.39Å; G59-D88 VanDerWaalsContact O-CG 3.25Å
60	R	92.1	Very high	96.1	Very high	220 Å²	220	33.4 Å²	33.4	83%	0.83	16%	0.156	S	C	*	.	S	Bend	trans	-51.5	115.6	-171.6	173.9	-180	-70.3	-81	-1.2	112.1
61	P	94.6	Very high	96.1	Very high	41 Å²	41	33.3 Å²	33.3	27%	0.266	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-63.2	153.8	172.3	-21.7	34.6	0	0	0	112.2	E55 G59 P86 D88	E55-P61 WeakPolarHBondContact OE1-CA 3.47Å; E55-P61 WeakPolarHBondContact OE1-CB 3.48Å; G59-P61 VanDerWaalsContact O-CD 3.25Å; G59-P61 WeakPolarHBondContact O-CD 3.46Å; G59-P61 VanDerWaalsContact O-N 3.14Å; P61-P86 HydrophobicContact CB-CB 3.9Å; P61-P86 HydrophobicContact CB-CG 4.47Å; P61-P86 HydrophobicContact CG-CB 3.98Å; P61-D88 HydrophobicContact CG-CB 4.15Å
62	W	97	Very high	96.2	Very high	9 Å²	9	37.3 Å²	37.3	3%	0.034	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-67.2	152.6	178.5	-66.8	-31.2	0	0	0	112.2	V53 E55 F57 Q66 R67 L70 P303 C305 F307 N310	V53-W62 HydrophobicContact CG1-CH2 3.91Å; V53-W62 HydrophobicContact CG1-CZ3 3.96Å; E55-W62 HydrophobicContact CB-CE3 3.94Å; E55-W62 HydrophobicContact CB-CZ3 3.86Å; E55-W62 HydrophobicContact CG-CD2 4.07Å; E55-W62 HydrophobicContact CG-CE3 3.66Å; E55-W62 HydrophobicContact CG-CZ3 3.99Å; E55-W62 PolarHBondContact OE1-N 3.31Å; F57-W62 HydrophobicContact CE1-CD2 4.28Å; F57-W62 AromaticContact CE1-CE2 3.67Å; F57-W62 AromaticContact CE1-CH2 3.98Å; F57-W62 HydrophobicContact CE1-CH2 3.98Å; F57-W62 AromaticContact CE1-CZ2 3.51Å; F57-W62 HydrophobicContact CE1-CZ2 3.51Å; F57-W62 HydrophobicContact CZ-CD2 4.09Å; F57-W62 AromaticContact CZ-CE2 3.65Å; F57-W62 HydrophobicContact CZ-CG 4.32Å; F57-W62 HydrophobicContact CZ-CZ2 4.01Å; F57-W62 AromaticContact CZ-NE1 3.59Å; W62-Q66 HydrophobicContact CB-CB 4.12Å; W62-R67 HydrophobicContact CB-CG 4.06Å; W62-R67 PolarHBondContact O-NE 2.81Å; W62-R67 PolarHBondContact O-NH1 2.68Å; W62-R67 PolarHBondContact O-NH2 2.95Å; W62-L70 HydrophobicContact CE3-CD2 4.12Å; W62-L70 HydrophobicContact CZ3-CD2 3.62Å; W62-P303 HydrophobicContact CH2-CG 3.71Å; W62-P303 HydrophobicContact CZ2-CG 3.99Å; W62-C305 PolarHBondContact NE1-O 3.16Å; W62-F307 AromaticContact CD2-CD2 3.98Å; W62-F307 HydrophobicContact CD2-CD2 3.98Å; W62-F307 AromaticContact CE2-CD2 3.97Å; W62-F307 HydrophobicContact CE3-CD2 4.48Å; W62-F307 HydrophobicContact CG-CD2 4.18Å; W62-F307 HydrophobicContact CZ2-CD2 4.47Å; W62-N310 WeakPolarHBondContact CZ2-ND2 3.23Å
63	T	95.8	Very high	96.2	Very high	53 Å²	53	37.6 Å²	37.6	33%	0.325	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-74.6	166.2	176.2	87.4	0	0	0	0	111.8	E65 Q66 R67	T63-E65 WeakPolarHBondContact CB-OE2 3.37Å; T63-E65 PolarHBondContact O-N 3.18Å; T63-E65 PolarHBondContact OG1-N 3.12Å; T63-E65 PolarHBondContact OG1-OE2 2.65Å; T63-Q66 PolarHBondContact O-N 3.2Å; T63-Q66 PolarHBondContact OG1-N 3.09Å; T63-R67 VanDerWaalsContact O-CG 3.29Å; T63-R67 WeakPolarHBondContact O-CG 3.34Å; T63-R67 PolarHBondContact O-N 3.25Å
64	M	93.9	Very high	96.2	Very high	24 Å²	24	37.6 Å²	37.6	12%	0.118	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-28.7	179.5	-57	-58.9	-75.9	0	0	112	K68 Q107 L111	M64-K68 WeakPolarHBondContact O-CD 3.21Å; M64-K68 VanDerWaalsContact O-CG 3.23Å; M64-K68 WeakPolarHBondContact O-CG 3.49Å; M64-K68 PolarHBondContact O-N 2.86Å; M64-K68 VanDerWaalsContact O-N 3.11Å; M64-Q107 HydrophobicContact CE-CB 3.8Å; M64-Q107 WeakPolarHBondContact CE-O 3.46Å; M64-L111 HydrophobicContact CE-CB 3.7Å; M64-L111 HydrophobicContact CE-CD1 4.1Å; M64-L111 HydrophobicContact CE-CD2 4.1Å; M64-L111 HydrophobicContact CE-CG 4.19Å; M64-L111 HydrophobicContact SD-CD2 4.46Å
65	E	94.8	Very high	96.1	Very high	80 Å²	80	42.5 Å²	42.5	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-73.3	-46.6	176.9	-58.2	63.2	-133.6	0	0	110.4	T63 R67 K68 E69 Y386	T63-E65 WeakPolarHBondContact CB-OE2 3.37Å; T63-E65 PolarHBondContact O-N 3.18Å; T63-E65 PolarHBondContact OG1-N 3.12Å; T63-E65 PolarHBondContact OG1-OE2 2.65Å; E65-R67 PolarHBondContact O-N 2.84Å; E65-K68 PolarHBondContact O-N 2.71Å; E65-E69 WeakPolarHBondContact O-CB 3.43Å; E65-E69 PolarHBondContact O-N 3.24Å; E65-Y386 HydrophobicContact CB-CD1 4.05Å; E65-Y386 HydrophobicContact CB-CE1 3.84Å; E65-Y386 HydrophobicContact CG-CD1 4.47Å
66	Q	97.3	Very high	96.1	Very high	34 Å²	34	47.2 Å²	47.2	16%	0.159	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-45.2	174.2	-71.3	176.4	-35.7	0	0	111.1	W62 T63 K68 E69 L70 F307	W62-Q66 HydrophobicContact CB-CB 4.12Å; T63-Q66 PolarHBondContact O-N 3.2Å; T63-Q66 PolarHBondContact OG1-N 3.09Å; Q66-K68 PolarHBondContact O-N 3.06Å; Q66-E69 PolarHBondContact O-N 2.82Å; Q66-L70 WeakPolarHBondContact O-CB 3.35Å; Q66-L70 PolarHBondContact O-N 3.29Å; Q66-F307 HydrophobicContact CB-CD1 4.02Å; Q66-F307 HydrophobicContact CB-CD2 3.83Å; Q66-F307 HydrophobicContact CB-CE1 4.16Å; Q66-F307 HydrophobicContact CB-CE2 3.99Å; Q66-F307 HydrophobicContact CB-CG 3.85Å; Q66-F307 HydrophobicContact CB-CZ 4.15Å; Q66-F307 HydrophobicContact CG-CB 4.2Å; Q66-F307 HydrophobicContact CG-CD1 3.76Å; Q66-F307 HydrophobicContact CG-CD2 4.31Å; Q66-F307 HydrophobicContact CG-CE1 4.24Å; Q66-F307 HydrophobicContact CG-CG 3.8Å; Q66-F307 VanDerWaalsContact NE2-CB 3.33Å; Q66-F307 VanDerWaalsContact O-CE2 3.3Å; Q66-F307 WeakPolarHBondContact O-CE2 3.16Å; Q66-F307 WeakPolarHBondContact O-CZ 3.48Å
67	R	98.4	Very high	96.2	Very high	15 Å²	15	47.7 Å²	47.7	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-35.8	177	-65.2	164.2	175.1	156.9	-0.6	113	E55 W62 T63 E65 L70 F71 L111	E55-R67 IonicContact OE1-CZ 3.55Å; E55-R67 IonicContact OE1-NE 2.89Å; E55-R67 PolarHBondContact OE1-NE 2.99Å; E55-R67 IonicContact OE1-NH2 2.72Å; E55-R67 PolarHBondContact OE1-NH2 3.22Å; E55-R67 IonicContact OE2-CZ 2.89Å; E55-R67 IonicContact OE2-NE 2.78Å; E55-R67 PolarHBondContact OE2-NE 3.29Å; E55-R67 IonicContact OE2-NH2 3.58Å; E55-R67 PolarHBondContact OE2-NH2 2.86Å; W62-R67 HydrophobicContact CB-CG 4.06Å; W62-R67 PolarHBondContact O-NE 2.81Å; W62-R67 PolarHBondContact O-NH1 2.68Å; W62-R67 PolarHBondContact O-NH2 2.95Å; T63-R67 VanDerWaalsContact O-CG 3.29Å; T63-R67 WeakPolarHBondContact O-CG 3.34Å; T63-R67 PolarHBondContact O-N 3.25Å; E65-R67 PolarHBondContact O-N 2.84Å; R67-L70 WeakPolarHBondContact O-CB 3.31Å; R67-L70 PolarHBondContact O-N 3.07Å; R67-F71 HydrophobicContact CB-CZ 4.46Å; R67-F71 VanDerWaalsContact O-CD1 3.27Å; R67-F71 WeakPolarHBondContact O-CD1 3.34Å; R67-F71 WeakPolarHBondContact O-CD2 2.96Å; R67-F71 WeakPolarHBondContact O-CE1 3.42Å; R67-F71 VanDerWaalsContact O-CG 3.24Å; R67-F71 WeakPolarHBondContact O-CG 3.48Å; R67-F71 PolarHBondContact O-N 3.42Å; R67-F71 VanDerWaalsContact O-N 3.15Å; R67-L111 HydrophobicContact CB-CD1 3.66Å
68	K	97.8	Very high	96.3	Very high	78 Å²	78	49.6 Å²	49.6	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-66.4	-43.8	172.5	-75.9	169.4	-179.1	176.8	0	112	M64 E65 Q66 L70 F71 R72 A114	M64-K68 WeakPolarHBondContact O-CD 3.21Å; M64-K68 VanDerWaalsContact O-CG 3.23Å; M64-K68 WeakPolarHBondContact O-CG 3.49Å; M64-K68 PolarHBondContact O-N 2.86Å; M64-K68 VanDerWaalsContact O-N 3.11Å; E65-K68 PolarHBondContact O-N 2.71Å; Q66-K68 PolarHBondContact O-N 3.06Å; K68-L70 VanDerWaalsContact C-N 3.28Å; K68-L70 PolarHBondContact O-N 3.32Å; K68-F71 WeakPolarHBondContact O-CB 3.25Å; K68-F71 PolarHBondContact O-N 2.91Å; K68-F71 VanDerWaalsContact O-N 3.14Å; K68-R72 PolarHBondContact O-N 3.13Å; K68-R72 VanDerWaalsContact O-N 3.14Å; K68-A114 HydrophobicContact CG-CB 3.9Å
69	E	97.7	Very high	96.7	Very high	19 Å²	19	45.4 Å²	45.4	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-35.6	174.6	172	57.3	-170.2	0	0	111.8	E65 Q66 F71 R72 R73 F307	E65-E69 WeakPolarHBondContact O-CB 3.43Å; E65-E69 PolarHBondContact O-N 3.24Å; Q66-E69 PolarHBondContact O-N 2.82Å; E69-F71 VanDerWaalsContact C-N 3.35Å; E69-F71 PolarHBondContact O-N 3.37Å; E69-R72 WeakPolarHBondContact O-CB 3.14Å; E69-R72 PolarHBondContact O-N 3.27Å; E69-R72 IonicContact OE1-CZ 2.66Å; E69-R72 IonicContact OE1-NE 3.31Å; E69-R72 IonicContact OE1-NH2 4Å; E69-R72 PolarHBondContact OE1-NH2 2.93Å; E69-R72 IonicContact OE2-CZ 2.68Å; E69-R72 IonicContact OE2-NE 2.73Å; E69-R72 PolarHBondContact OE2-NE 3Å; E69-R72 IonicContact OE2-NH2 3.81Å; E69-R72 PolarHBondContact OE2-NH2 2.77Å; E69-R73 WeakPolarHBondContact O-CG 3.14Å; E69-R73 PolarHBondContact O-N 2.94Å; E69-R73 IonicContact OE1-CZ 3.42Å; E69-R73 IonicContact OE1-NE 3.89Å; E69-R73 PolarHBondContact OE1-NE 3Å; E69-R73 IonicContact OE1-NH2 2.75Å; E69-R73 PolarHBondContact OE1-NH2 3.21Å; E69-R73 VanDerWaalsContact OE1-NH2 3.14Å; E69-F307 HydrophobicContact CB-CE1 4.37Å; E69-F307 HydrophobicContact CB-CZ 4.19Å; E69-F307 HydrophobicContact CG-CE1 3.96Å; E69-F307 HydrophobicContact CG-CZ 4.01Å
70	L	98.6	Very high	97	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-41.8	171.3	-179.3	58.9	0	0	0	112.2	V53 W62 Q66 R67 K68 R72 R73 Q74 Y82 F307 I314	V53-L70 HydrophobicContact CB-CD1 4.45Å; V53-L70 HydrophobicContact CB-CD2 4.26Å; V53-L70 HydrophobicContact CG1-CD2 4.07Å; V53-L70 HydrophobicContact CG2-CD1 4.08Å; W62-L70 HydrophobicContact CE3-CD2 4.12Å; W62-L70 HydrophobicContact CZ3-CD2 3.62Å; Q66-L70 WeakPolarHBondContact O-CB 3.35Å; Q66-L70 PolarHBondContact O-N 3.29Å; R67-L70 WeakPolarHBondContact O-CB 3.31Å; R67-L70 PolarHBondContact O-N 3.07Å; K68-L70 VanDerWaalsContact C-N 3.28Å; K68-L70 PolarHBondContact O-N 3.32Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R73 PolarHBondContact O-N 3.09Å; L70-Q74 HydrophobicContact CD1-CG 4.11Å; L70-Q74 HydrophobicContact CG-CG 4.45Å; L70-Q74 WeakPolarHBondContact O-CB 3.34Å; L70-Q74 VanDerWaalsContact O-CG 3.3Å; L70-Q74 WeakPolarHBondContact O-CG 3.32Å; L70-Q74 PolarHBondContact O-N 2.61Å; L70-Y82 HydrophobicContact CD2-CD2 3.76Å; L70-Y82 HydrophobicContact CD2-CE2 3.8Å; L70-F307 HydrophobicContact CB-CE2 4.02Å; L70-F307 HydrophobicContact CB-CZ 4.29Å; L70-I314 HydrophobicContact CD1-CD1 3.72Å
71	F	98.7	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-41	176.4	-53.3	-26.9	0	0	0	111.4	R67 K68 E69 Q74 Q75 Y82 L111 A114 A115 H118 I120 F122	R67-F71 HydrophobicContact CB-CZ 4.46Å; R67-F71 VanDerWaalsContact O-CD1 3.27Å; R67-F71 WeakPolarHBondContact O-CD1 3.34Å; R67-F71 WeakPolarHBondContact O-CD2 2.96Å; R67-F71 WeakPolarHBondContact O-CE1 3.42Å; R67-F71 VanDerWaalsContact O-CG 3.24Å; R67-F71 WeakPolarHBondContact O-CG 3.48Å; R67-F71 PolarHBondContact O-N 3.42Å; R67-F71 VanDerWaalsContact O-N 3.15Å; K68-F71 WeakPolarHBondContact O-CB 3.25Å; K68-F71 PolarHBondContact O-N 2.91Å; K68-F71 VanDerWaalsContact O-N 3.14Å; E69-F71 VanDerWaalsContact C-N 3.35Å; E69-F71 PolarHBondContact O-N 3.37Å; F71-Q74 PolarHBondContact O-N 2.77Å; F71-Q75 WeakPolarHBondContact O-CB 3.26Å; F71-Q75 PolarHBondContact O-N 2.93Å; F71-Y82 AromaticContact CE1-CD1 3.77Å; F71-Y82 HydrophobicContact CE1-CD1 3.77Å; F71-Y82 HydrophobicContact CE1-CD2 4.06Å; F71-Y82 HydrophobicContact CE1-CE1 4.28Å; F71-Y82 AromaticContact CE1-CG 3.63Å; F71-Y82 HydrophobicContact CE1-CG 3.63Å; F71-Y82 HydrophobicContact CZ-CD1 4.14Å; F71-Y82 HydrophobicContact CZ-CE1 4.38Å; F71-Y82 HydrophobicContact CZ-CG 4.44Å; F71-L111 HydrophobicContact CE2-CD1 3.64Å; F71-L111 HydrophobicContact CE2-CG 4.14Å; F71-L111 WeakPolarHBondContact CE2-O 3.32Å; F71-L111 HydrophobicContact CZ-CD1 3.75Å; F71-L111 HydrophobicContact CZ-CG 4.04Å; F71-A114 HydrophobicContact CD2-CB 4.15Å; F71-A114 HydrophobicContact CE2-CB 4.29Å; F71-A115 HydrophobicContact CD2-CB 3.95Å; F71-A115 HydrophobicContact CE1-CB 4.31Å; F71-A115 HydrophobicContact CE2-CB 3.67Å; F71-A115 HydrophobicContact CG-CB 4.38Å; F71-A115 HydrophobicContact CZ-CB 3.88Å; F71-H118 HydrophobicContact CB-CB 3.88Å; F71-I120 HydrophobicContact CB-CG1 4.02Å; F71-I120 HydrophobicContact CD1-CG1 4.5Å; F71-I120 HydrophobicContact CD1-CG2 4.26Å; F71-F122 HydrophobicContact CZ-CD2 4.25Å; F71-F122 HydrophobicContact CZ-CE2 4.48Å
72	R	98.3	Very high	97.6	Very high	87 Å²	87	34 Å²	34	33%	0.328	17%	0.168	S	C	.	.	H	α-helix	trans	-61.4	-46.3	173	-168.3	-164.2	69.8	96.6	-4.2	112.4	K68 E69 L70 Q75 K76	K68-R72 PolarHBondContact O-N 3.13Å; K68-R72 VanDerWaalsContact O-N 3.14Å; E69-R72 WeakPolarHBondContact O-CB 3.14Å; E69-R72 PolarHBondContact O-N 3.27Å; E69-R72 IonicContact OE1-CZ 2.66Å; E69-R72 IonicContact OE1-NE 3.31Å; E69-R72 IonicContact OE1-NH2 4Å; E69-R72 PolarHBondContact OE1-NH2 2.93Å; E69-R72 IonicContact OE2-CZ 2.68Å; E69-R72 IonicContact OE2-NE 2.73Å; E69-R72 PolarHBondContact OE2-NE 3Å; E69-R72 IonicContact OE2-NH2 3.81Å; E69-R72 PolarHBondContact OE2-NH2 2.77Å; L70-R72 VanDerWaalsContact C-N 3.34Å; R72-Q75 PolarHBondContact O-N 3.46Å; R72-K76 VanDerWaalsContact O-CB 3.3Å; R72-K76 WeakPolarHBondContact O-CB 3.4Å; R72-K76 PolarHBondContact O-N 3.21Å
73	R	98.3	Very high	97.6	Very high	6 Å²	6	33.6 Å²	33.6	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-44.7	177.1	-72.4	179.5	-169.3	-175.3	5.5	111.8	E69 L70 K76 W77 E308	E69-R73 WeakPolarHBondContact O-CG 3.14Å; E69-R73 PolarHBondContact O-N 2.94Å; E69-R73 IonicContact OE1-CZ 3.42Å; E69-R73 IonicContact OE1-NE 3.89Å; E69-R73 PolarHBondContact OE1-NE 3Å; E69-R73 IonicContact OE1-NH2 2.75Å; E69-R73 PolarHBondContact OE1-NH2 3.21Å; E69-R73 VanDerWaalsContact OE1-NH2 3.14Å; L70-R73 PolarHBondContact O-N 3.09Å; R73-K76 PolarHBondContact O-N 3.13Å; R73-W77 HydrophobicContact CB-CE3 4.11Å; R73-W77 HydrophobicContact CB-CH2 4.13Å; R73-W77 HydrophobicContact CB-CZ3 3.77Å; R73-W77 HydrophobicContact CG-CH2 4.24Å; R73-W77 HydrophobicContact CG-CZ3 4.37Å; R73-W77 PolarHBondContact O-N 3.34Å; R73-W77 VanDerWaalsContact O-N 3.11Å; R73-E308 IonicContact CZ-OE2 3.72Å; R73-E308 IonicContact NH1-OE2 2.62Å; R73-E308 PolarHBondContact NH1-OE2 3.21Å; R73-E308 IonicContact NH2-OE1 3.33Å; R73-E308 PolarHBondContact NH2-OE1 3.18Å; R73-E308 IonicContact NH2-OE2 3.02Å; R73-E308 PolarHBondContact NH2-OE2 3.18Å
74	Q	98.4	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-47	176.6	-73.9	-172	108.7	0	0	111.8	V53 L70 F71 W77 G78 L79 T81 I120	V53-Q74 VanDerWaalsContact N-OE1 3.13Å; L70-Q74 HydrophobicContact CD1-CG 4.11Å; L70-Q74 HydrophobicContact CG-CG 4.45Å; L70-Q74 WeakPolarHBondContact O-CB 3.34Å; L70-Q74 VanDerWaalsContact O-CG 3.3Å; L70-Q74 WeakPolarHBondContact O-CG 3.32Å; L70-Q74 PolarHBondContact O-N 2.61Å; F71-Q74 PolarHBondContact O-N 2.77Å; Q74-W77 PolarHBondContact O-N 3.41Å; Q74-G78 PolarHBondContact O-N 3.24Å; Q74-L79 HydrophobicContact CB-CB 3.87Å; Q74-L79 HydrophobicContact CG-CB 4.03Å; Q74-L79 HydrophobicContact CG-CD1 4.17Å; Q74-L79 PolarHBondContact O-N 2.86Å; Q74-T81 PolarHBondContact OE1-O 3.43Å; Q74-I120 HydrophobicContact CB-CD1 3.69Å; Q74-I120 HydrophobicContact CB-CG1 4.47Å
75	Q	98.2	Very high	98	Very high	102 Å²	102	30.6 Å²	30.6	48%	0.477	15%	0.148	S	C	.	.	H	α-helix	trans	-59.1	-48.1	175	-174	-170.6	56.1	0	0	111.7	F71 R72 W77 G78 H118	F71-Q75 WeakPolarHBondContact O-CB 3.26Å; F71-Q75 PolarHBondContact O-N 2.93Å; R72-Q75 PolarHBondContact O-N 3.46Å; Q75-W77 PolarHBondContact O-N 3.29Å; Q75-G78 PolarHBondContact O-N 3.29Å; Q75-H118 HydrophobicContact CB-CB 4.32Å; Q75-H118 VanDerWaalsContact CG-O 3.31Å; Q75-H118 WeakPolarHBondContact CG-O 3.49Å; Q75-H118 PolarHBondContact NE2-O 2.98Å
76	K	97.9	Very high	98	Very high	99 Å²	99	26.8 Å²	26.8	43%	0.43	13%	0.13	S	C	.	.	H	α-helix	trans	-53.8	-37.7	177.7	-174.2	-166.4	-174.5	-165.6	0	112.3	R72 R73 E375	R72-K76 VanDerWaalsContact O-CB 3.3Å; R72-K76 WeakPolarHBondContact O-CB 3.4Å; R72-K76 PolarHBondContact O-N 3.21Å; R73-K76 PolarHBondContact O-N 3.13Å; K76-E375 VanDerWaalsContact CE-OE1 3.27Å; K76-E375 WeakPolarHBondContact CE-OE1 3.3Å; K76-E375 IonicContact NZ-OE1 3.35Å; K76-E375 PolarHBondContact NZ-OE1 3.44Å
77	W	98	Very high	97.6	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-97.7	-7.6	-175.8	-60.5	-37.4	0	0	0	114.9	R73 Q74 Q75 F311 I314 H315 A318 K322 E375	R73-W77 HydrophobicContact CB-CE3 4.11Å; R73-W77 HydrophobicContact CB-CH2 4.13Å; R73-W77 HydrophobicContact CB-CZ3 3.77Å; R73-W77 HydrophobicContact CG-CH2 4.24Å; R73-W77 HydrophobicContact CG-CZ3 4.37Å; R73-W77 PolarHBondContact O-N 3.34Å; R73-W77 VanDerWaalsContact O-N 3.11Å; Q74-W77 PolarHBondContact O-N 3.41Å; Q75-W77 PolarHBondContact O-N 3.29Å; W77-F311 HydrophobicContact CH2-CD1 4.16Å; W77-F311 AromaticContact CH2-CD2 3.96Å; W77-F311 HydrophobicContact CH2-CD2 3.96Å; W77-F311 HydrophobicContact CH2-CE1 4.21Å; W77-F311 HydrophobicContact CH2-CE2 4.03Å; W77-F311 HydrophobicContact CH2-CG 4.04Å; W77-F311 HydrophobicContact CH2-CZ 4.17Å; W77-F311 HydrophobicContact CZ2-CD1 4.2Å; W77-F311 HydrophobicContact CZ2-CD2 4.2Å; W77-F311 AromaticContact CZ2-CE1 3.79Å; W77-F311 HydrophobicContact CZ2-CE1 3.79Å; W77-F311 AromaticContact CZ2-CE2 3.79Å; W77-F311 HydrophobicContact CZ2-CE2 3.79Å; W77-F311 HydrophobicContact CZ2-CG 4.4Å; W77-F311 AromaticContact CZ2-CZ 3.59Å; W77-F311 HydrophobicContact CZ2-CZ 3.59Å; W77-I314 HydrophobicContact CE3-CB 4.37Å; W77-I314 HydrophobicContact CE3-CG2 3.79Å; W77-I314 HydrophobicContact CZ3-CB 3.88Å; W77-I314 HydrophobicContact CZ3-CG2 3.7Å; W77-H315 HydrophobicContact CD2-CB 4.39Å; W77-H315 AromaticContact CE2-CD2 3.52Å; W77-H315 HydrophobicContact CE3-CB 4.43Å; W77-H315 HydrophobicContact CH2-CB 4.17Å; W77-H315 HydrophobicContact CZ2-CB 4.14Å; W77-H315 AromaticContact CZ2-CD2 3.72Å; W77-H315 HydrophobicContact CZ3-CB 4.32Å; W77-H315 AromaticContact NE1-CD2 3.41Å; W77-H315 PolarHBondContact NE1-CD2 2.86Å; W77-H315 AromaticContact NE1-NE2 3.94Å; W77-A318 HydrophobicContact CB-CB 3.71Å; W77-K322 WeakPolarHBondContact O-CE 3.42Å; W77-K322 PolarHBondContact O-NZ 2.98Å; W77-E375 PolarHBondContact NE1-OE1 2.97Å
78	G	96.4	Very high	97.1	Very high	42 Å²	42	28.5 Å²	28.5	43%	0.433	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	22.1	178.3	0	0	0	0	0	115.1	Q74 Q75	Q74-G78 PolarHBondContact O-N 3.24Å; Q75-G78 PolarHBondContact O-N 3.29Å
79	L	97.9	Very high	96.7	Very high	6 Å²	6	26 Å²	26	3%	0.031	13%	0.131	C	C	.	.			trans	-87	156.9	167.8	-63.4	170.6	0	0	0	109.7	Q74 I120 I314 A318	Q74-L79 HydrophobicContact CB-CB 3.87Å; Q74-L79 HydrophobicContact CG-CB 4.03Å; Q74-L79 HydrophobicContact CG-CD1 4.17Å; Q74-L79 PolarHBondContact O-N 2.86Å; L79-I120 WeakPolarHBondContact O-CD1 3.34Å; L79-I314 HydrophobicContact CD1-CG2 3.49Å; L79-I314 VanDerWaalsContact CD1-CG2 3.49Å; L79-A318 HydrophobicContact CD1-CB 3.97Å; L79-A318 HydrophobicContact CD2-CB 4.06Å; L79-A318 HydrophobicContact CG-CB 3.82Å
80	N	97.9	Very high	96.4	Very high	49 Å²	49	32.5 Å²	32.5	26%	0.262	16%	0.156	S	C	.	.			trans	-135.1	-7.1	-163.1	66.8	18.5	0	0	0	116.4	F49 S51 E121	F49-N80 PolarHBondContact O-ND2 3.42Å; S51-N80 PolarHBondContact N-OD1 2.93Å; S51-N80 PolarHBondContact O-N 2.91Å; S51-N80 PolarHBondContact O-OD1 3.12Å; S51-N80 VanDerWaalsContact OG-CG 3.3Å; S51-N80 PolarHBondContact OG-ND2 3.35Å; S51-N80 PolarHBondContact OG-OD1 2.76Å; N80-E121 PolarHBondContact O-N 2.83Å
81	T	98.8	Very high	96.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.6	-172.9	-52.8	0	0	0	0	112.6	I50 S51 G52 V53 Q74 I123 L300	I50-T81 HydrophobicContact CG2-CG2 3.93Å; S51-T81 PolarHBondContact O-N 3.29Å; G52-T81 WeakPolarHBondContact CA-O 3.46Å; V53-T81 PolarHBondContact N-O 3.42Å; Q74-T81 PolarHBondContact OE1-O 3.43Å; T81-I123 HydrophobicContact CG2-CD1 3.48Å; T81-I123 VanDerWaalsContact CG2-CD1 3.48Å; T81-I123 HydrophobicContact CG2-CG1 3.98Å; T81-L300 HydrophobicContact CG2-CD2 3.89Å
82	Y	98.8	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.6	168	171	-98.8	0	0	0	110.7	V53 E55 L70 F71 Y84 E121 F122 I123	V53-Y82 WeakPolarHBondContact O-CA 3.18Å; E55-Y82 HydrophobicContact CB-CE2 4.03Å; E55-Y82 PolarHBondContact OE2-OH 3.12Å; L70-Y82 HydrophobicContact CD2-CD2 3.76Å; L70-Y82 HydrophobicContact CD2-CE2 3.8Å; F71-Y82 AromaticContact CE1-CD1 3.77Å; F71-Y82 HydrophobicContact CE1-CD1 3.77Å; F71-Y82 HydrophobicContact CE1-CD2 4.06Å; F71-Y82 HydrophobicContact CE1-CE1 4.28Å; F71-Y82 AromaticContact CE1-CG 3.63Å; F71-Y82 HydrophobicContact CE1-CG 3.63Å; F71-Y82 HydrophobicContact CZ-CD1 4.14Å; F71-Y82 HydrophobicContact CZ-CE1 4.38Å; F71-Y82 HydrophobicContact CZ-CG 4.44Å; Y82-Y84 HydrophobicContact CE1-CD2 4.22Å; Y82-E121 PolarHBondContact N-O 2.87Å; Y82-F122 AromaticContact CD1-CD2 3.67Å; Y82-F122 HydrophobicContact CD1-CD2 3.67Å; Y82-F122 AromaticContact CD1-CE2 3.68Å; Y82-F122 HydrophobicContact CD1-CE2 3.68Å; Y82-F122 HydrophobicContact CE1-CD2 4.04Å; Y82-F122 AromaticContact CE1-CE2 3.54Å; Y82-F122 HydrophobicContact CE1-CE2 3.54Å; Y82-F122 HydrophobicContact CE1-CZ 4.22Å; Y82-I123 PolarHBondContact O-N 2.68Å
83	L	98.8	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114	175.9	177.1	61.7	0	0	0	110	V53 V54 E55 A85 I123 A125 A159 L202 L237 W267 L300	V53-L83 PolarHBondContact O-N 2.88Å; V54-L83 WeakPolarHBondContact CA-O 3.32Å; V54-L83 HydrophobicContact CB-CB 3.91Å; V54-L83 HydrophobicContact CB-CD2 4.07Å; V54-L83 HydrophobicContact CB-CG 4.24Å; V54-L83 HydrophobicContact CG2-CB 3.92Å; V54-L83 HydrophobicContact CG2-CD2 3.67Å; V54-L83 HydrophobicContact CG2-CG 3.75Å; E55-L83 PolarHBondContact N-O 3.36Å; L83-A85 HydrophobicContact CG-CB 4.39Å; L83-A85 PolarHBondContact O-N 3.17Å; L83-I123 HydrophobicContact CD1-CB 3.74Å; L83-I123 HydrophobicContact CD1-CG2 3.56Å; L83-A125 HydrophobicContact CD1-CB 4.05Å; L83-A159 HydrophobicContact CD1-CB 3.98Å; L83-L202 HydrophobicContact CD1-CD1 4.31Å; L83-L202 HydrophobicContact CD2-CD1 4.12Å; L83-L237 HydrophobicContact CD2-CD1 4.4Å; L83-W267 HydrophobicContact CD2-CE3 4.35Å; L83-W267 HydrophobicContact CD2-CZ3 4.16Å; L83-L300 HydrophobicContact CB-CD1 3.94Å; L83-L300 HydrophobicContact CD2-CD1 3.82Å
84	Y	98.6	Very high	95.6	Very high	13 Å²	13	34.6 Å²	34.6	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	103.6	174.1	-175.9	-88.5	0	0	0	109.3	Y82 P86 D89 L108 L111 F122 I123 Y124 A125	Y82-Y84 HydrophobicContact CE1-CD2 4.22Å; Y84-P86 HydrophobicContact CD1-CG 4.47Å; Y84-P86 HydrophobicContact CE1-CG 3.99Å; Y84-P86 HydrophobicContact CE2-CG 4.04Å; Y84-D89 WeakPolarHBondContact CE1-OD2 3.33Å; Y84-D89 PolarHBondContact OH-OD2 2.82Å; Y84-L108 HydrophobicContact CE2-CD2 4.36Å; Y84-L111 HydrophobicContact CD2-CD2 4.44Å; Y84-F122 HydrophobicContact CD2-CZ 4.15Å; Y84-F122 HydrophobicContact CG-CZ 4.07Å; Y84-I123 PolarHBondContact N-O 3.27Å; Y84-Y124 AromaticContact CD1-CD2 3.89Å; Y84-Y124 HydrophobicContact CD1-CD2 3.89Å; Y84-Y124 AromaticContact CD1-CE2 3.95Å; Y84-Y124 HydrophobicContact CD1-CE2 3.95Å; Y84-Y124 HydrophobicContact CE1-CD2 4.46Å; Y84-Y124 HydrophobicContact CE1-CE2 4.1Å; Y84-A125 WeakPolarHBondContact O-CB 3.09Å; Y84-A125 PolarHBondContact O-N 3.31Å
85	A	97.6	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.			trans	-140.3	30.3	178.9	0	0	0	0	0	115.6	V54 E55 L83 K87 H92 A125 L161 W267	V54-A85 HydrophobicContact CG2-CB 4Å; E55-A85 CarbonylContact O-C 3.56Å; E55-A85 VanDerWaalsContact O-CA 3.27Å; E55-A85 WeakPolarHBondContact O-CA 3.32Å; E55-A85 PolarHBondContact O-N 3.33Å; L83-A85 HydrophobicContact CG-CB 4.39Å; L83-A85 PolarHBondContact O-N 3.17Å; A85-K87 PolarHBondContact O-N 2.94Å; A85-H92 PolarHBondContact O-CE1 2.86Å; A85-H92 PolarHBondContact O-ND1 2.91Å; A85-A125 HydrophobicContact CB-CB 3.84Å; A85-L161 HydrophobicContact CB-CD1 3.78Å; A85-W267 HydrophobicContact CB-CH2 4.09Å; A85-W267 HydrophobicContact CB-CZ3 4.43Å
86	P	94.7	Very high	95.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.17	C	C	.	.			trans	-62.4	125.1	-170.2	23.8	-33.3	0	0	0	111.5	E55 P61 Y84 D88 D89 H92	E55-P86 HydrophobicContact CG-CB 4.31Å; E55-P86 WeakPolarHBondContact O-CA 3.28Å; E55-P86 WeakPolarHBondContact O-CD 3.42Å; P61-P86 HydrophobicContact CB-CB 3.9Å; P61-P86 HydrophobicContact CB-CG 4.47Å; P61-P86 HydrophobicContact CG-CB 3.98Å; Y84-P86 HydrophobicContact CD1-CG 4.47Å; Y84-P86 HydrophobicContact CE1-CG 3.99Å; Y84-P86 HydrophobicContact CE2-CG 4.04Å; P86-D88 PolarHBondContact O-N 2.85Å; P86-D89 HydrophobicContact CG-CB 3.9Å; P86-D89 PolarHBondContact O-N 2.64Å; P86-H92 PolarHBondContact O-ND1 3.23Å
87	K	89.4	Confident	95.5	Very high	10 Å²	10	33.3 Å²	33.3	4%	0.043	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-31.9	-172.6	-66.1	-70.4	-158.5	-69.2	0	112.7	G56 F57 Y58 A85 D163	G56-K87 WeakPolarHBondContact O-CG 3.47Å; G56-K87 PolarHBondContact O-NZ 2.79Å; F57-K87 WeakPolarHBondContact O-CB 3.31Å; F57-K87 WeakPolarHBondContact O-CG 3.49Å; F57-K87 PolarHBondContact O-N 2.74Å; Y58-K87 HydrophobicContact CD1-CB 3.55Å; Y58-K87 HydrophobicContact CD1-CG 3.9Å; Y58-K87 HydrophobicContact CD2-CB 4.48Å; Y58-K87 HydrophobicContact CD2-CG 3.99Å; Y58-K87 HydrophobicContact CE1-CB 3.7Å; Y58-K87 HydrophobicContact CE1-CD 4.08Å; Y58-K87 HydrophobicContact CE1-CG 3.81Å; Y58-K87 HydrophobicContact CE2-CD 4.17Å; Y58-K87 HydrophobicContact CE2-CG 3.88Å; Y58-K87 HydrophobicContact CG-CB 3.98Å; Y58-K87 HydrophobicContact CG-CG 4Å; A85-K87 PolarHBondContact O-N 2.94Å; K87-D163 WeakPolarHBondContact CE-OD2 3.28Å; K87-D163 IonicContact NZ-OD2 3.46Å; K87-D163 PolarHBondContact NZ-OD2 3.3Å
88	D	87.7	Confident	95.5	Very high	74 Å²	74	37.5 Å²	37.5	40%	0.396	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.3	-178.1	-69.9	37.8	0	0	0	114	G59 P61 P86 Y90	G59-D88 WeakPolarHBondContact CA-OD2 3.27Å; G59-D88 VanDerWaalsContact N-CG 3.26Å; G59-D88 PolarHBondContact N-OD1 2.87Å; G59-D88 PolarHBondContact N-OD2 3.47Å; G59-D88 VanDerWaalsContact O-CB 3.32Å; G59-D88 WeakPolarHBondContact O-CB 3.39Å; G59-D88 VanDerWaalsContact O-CG 3.25Å; P61-D88 HydrophobicContact CG-CB 4.15Å; P86-D88 PolarHBondContact O-N 2.85Å; D88-Y90 PolarHBondContact O-N 3.05Å; D88-Y90 VanDerWaalsContact O-N 3.11Å
89	D	90.9	Very high	95.6	Very high	25 Å²	25	39 Å²	39	13%	0.134	18%	0.179	C	C	.	.			trans	-70.3	105.7	160.7	172.9	5.8	0	0	0	108	Y84 P86 K91 H92 R93 Y100	Y84-D89 WeakPolarHBondContact CE1-OD2 3.33Å; Y84-D89 PolarHBondContact OH-OD2 2.82Å; P86-D89 HydrophobicContact CG-CB 3.9Å; P86-D89 PolarHBondContact O-N 2.64Å; D89-K91 PolarHBondContact O-N 2.78Å; D89-K91 VanDerWaalsContact O-N 3.11Å; D89-K91 WeakPolarHBondContact OD1-CA 3.19Å; D89-K91 PolarHBondContact OD1-N 3.39Å; D89-H92 HydrophobicContact CB-CB 3.72Å; D89-H92 WeakPolarHBondContact O-CB 3.5Å; D89-H92 PolarHBondContact O-N 2.95Å; D89-H92 PolarHBondContact OD1-N 2.82Å; D89-R93 PolarHBondContact O-N 3.3Å; D89-Y100 PolarHBondContact OD2-OH 3.25Å; D89-Y100 VanDerWaalsContact OD2-OH 3.04Å
90	Y	90.8	Very high	95.5	Very high	157 Å²	157	39.4 Å²	39.4	62%	0.616	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-38.4	176.8	-69.8	-79.3	0	0	0	112.5	D88 M94 F95	D88-Y90 PolarHBondContact O-N 3.05Å; D88-Y90 VanDerWaalsContact O-N 3.11Å; Y90-M94 HydrophobicContact CD1-CB 4.33Å; Y90-M94 PolarHBondContact O-N 3.17Å; Y90-M94 VanDerWaalsContact O-N 3.15Å; Y90-F95 HydrophobicContact CD1-CD2 4.18Å; Y90-F95 AromaticContact CD1-CE2 3.89Å; Y90-F95 HydrophobicContact CD1-CE2 3.89Å; Y90-F95 HydrophobicContact CG-CD2 4.45Å; Y90-F95 WeakPolarHBondContact O-CA 3.49Å; Y90-F95 PolarHBondContact O-N 3.02Å
91	K	96.1	Very high	95.5	Very high	28 Å²	28	39 Å²	39	12%	0.122	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7	-178.7	-66.6	-174.6	-178	177.9	0	113.7	D89 E98 L99 Y100 E104 K146	D89-K91 PolarHBondContact O-N 2.78Å; D89-K91 VanDerWaalsContact O-N 3.11Å; D89-K91 WeakPolarHBondContact OD1-CA 3.19Å; D89-K91 PolarHBondContact OD1-N 3.39Å; K91-E98 HydrophobicContact CD-CB 4.36Å; K91-E98 WeakPolarHBondContact CE-OE2 3.48Å; K91-E98 HydrophobicContact CG-CB 4.33Å; K91-L99 PolarHBondContact NZ-O 3.09Å; K91-Y100 HydrophobicContact CB-CD1 4.24Å; K91-Y100 HydrophobicContact CB-CE1 3.65Å; K91-Y100 HydrophobicContact CD-CD1 3.88Å; K91-Y100 HydrophobicContact CD-CE1 4.14Å; K91-E104 IonicContact NZ-OE1 3.44Å; K91-E104 PolarHBondContact NZ-OE1 2.96Å; K91-E104 VanDerWaalsContact NZ-OE1 3.17Å; K91-E104 IonicContact NZ-OE2 3.51Å; K91-E104 PolarHBondContact NZ-OE2 3.43Å; K91-K146 PolarHBondContact O-NZ 3.33Å
92	H	94.1	Very high	95.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-40.3	167.7	166.8	-119.8	0	0	0	112.1	A85 P86 D89 A125 S127	A85-H92 PolarHBondContact O-CE1 2.86Å; A85-H92 PolarHBondContact O-ND1 2.91Å; P86-H92 PolarHBondContact O-ND1 3.23Å; D89-H92 HydrophobicContact CB-CB 3.72Å; D89-H92 WeakPolarHBondContact O-CB 3.5Å; D89-H92 PolarHBondContact O-N 2.95Å; D89-H92 PolarHBondContact OD1-N 2.82Å; H92-A125 PolarHBondContact CD2-O 3.4Å; H92-A125 VanDerWaalsContact CD2-O 3.3Å; H92-S127 PolarHBondContact CE1-OG 3.41Å; H92-S127 PolarHBondContact NE2-OG 2.91Å; H92-S127 PolarHBondContact O-N 3.3Å
93	R	93.6	Very high	95.2	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.03	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-69.3	-174	-168.9	165.9	-174.6	108.5	-5.9	114.3	D89 F95 W96 L130 D163 D164	D89-R93 PolarHBondContact O-N 3.3Å; R93-F95 PolarHBondContact O-N 2.84Å; R93-W96 PolarHBondContact O-N 2.78Å; R93-L130 HydrophobicContact CG-CD1 3.76Å; R93-L130 HydrophobicContact CG-CG 4.49Å; R93-D163 IonicContact CZ-OD1 2.7Å; R93-D163 PolarHBondContact NH1-O 2.89Å; R93-D163 IonicContact NH1-OD1 3.17Å; R93-D163 PolarHBondContact NH1-OD1 3.07Å; R93-D163 PolarHBondContact NH2-O 3.3Å; R93-D163 IonicContact NH2-OD1 2.69Å; R93-D164 PolarHBondContact NH2-O 2.92Å
94	M	92.8	Very high	95	Very high	100 Å²	100	52.9 Å²	52.9	49%	0.493	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-42.2	-167.5	-65.1	-62.2	-178.6	0	0	114.3	Y90 L130	Y90-M94 HydrophobicContact CD1-CB 4.33Å; Y90-M94 PolarHBondContact O-N 3.17Å; Y90-M94 VanDerWaalsContact O-N 3.15Å; M94-L130 HydrophobicContact CE-CD1 4.29Å; M94-L130 HydrophobicContact SD-CD1 3.65Å
95	F	96.9	Very high	94.7	Very high	108 Å²	108	52.9 Å²	52.9	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	43.8	179.9	-53.4	-45.7	0	0	0	110.1	Y90 R93 R97 E98	Y90-F95 HydrophobicContact CD1-CD2 4.18Å; Y90-F95 AromaticContact CD1-CE2 3.89Å; Y90-F95 HydrophobicContact CD1-CE2 3.89Å; Y90-F95 HydrophobicContact CG-CD2 4.45Å; Y90-F95 WeakPolarHBondContact O-CA 3.49Å; Y90-F95 PolarHBondContact O-N 3.02Å; R93-F95 PolarHBondContact O-N 2.84Å; F95-R97 PolarHBondContact O-N 2.62Å; F95-E98 HydrophobicContact CB-CG 4.1Å; F95-E98 WeakPolarHBondContact O-CB 3.17Å; F95-E98 PolarHBondContact O-N 3.03Å
96	W	97.9	Very high	94.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-29	-174.9	66.3	-94.3	0	0	0	114.3	R93 E98 I126 P128 D131 I132 E139 A142 L143 K146	R93-W96 PolarHBondContact O-N 2.78Å; W96-E98 VanDerWaalsContact C-N 3.32Å; W96-E98 PolarHBondContact O-N 3.05Å; W96-I126 HydrophobicContact CB-CD1 4.07Å; W96-I126 HydrophobicContact CB-CG1 4Å; W96-I126 HydrophobicContact CE3-CD1 4.47Å; W96-P128 HydrophobicContact CD2-CB 3.69Å; W96-P128 HydrophobicContact CE3-CB 4.11Å; W96-P128 HydrophobicContact CG-CB 4.05Å; W96-P128 HydrophobicContact CH2-CB 4.47Å; W96-P128 HydrophobicContact CZ2-CB 4.08Å; W96-P128 HydrophobicContact CZ3-CB 4.49Å; W96-D131 PolarHBondContact NE1-OD1 3.44Å; W96-I132 HydrophobicContact CH2-CD1 3.95Å; W96-I132 HydrophobicContact CH2-CG1 4.26Å; W96-I132 HydrophobicContact CZ2-CB 3.91Å; W96-I132 HydrophobicContact CZ2-CD1 3.99Å; W96-I132 HydrophobicContact CZ2-CG1 3.93Å; W96-E139 HydrophobicContact CH2-CB 4.29Å; W96-A142 HydrophobicContact CH2-CB 4.49Å; W96-A142 HydrophobicContact CZ3-CB 4.25Å; W96-L143 HydrophobicContact CE3-CD1 4.25Å; W96-L143 HydrophobicContact CH2-CB 4.48Å; W96-L143 HydrophobicContact CZ3-CB 3.8Å; W96-L143 HydrophobicContact CZ3-CD1 4.21Å; W96-K146 PolarHBondContact O-NZ 3.43Å
97	R	97.9	Very high	94.5	Very high	66 Å²	66	64 Å²	64	25%	0.249	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.9	176.6	-62	179	-171.4	75	0.1	114.4	F95 D131 E139 A142	F95-R97 PolarHBondContact O-N 2.62Å; R97-D131 IonicContact CZ-OD1 2.73Å; R97-D131 IonicContact CZ-OD2 3.94Å; R97-D131 IonicContact NH1-OD1 3.22Å; R97-D131 PolarHBondContact NH1-OD1 2.92Å; R97-D131 IonicContact NH1-OD2 2.74Å; R97-D131 PolarHBondContact NH1-OD2 3.13Å; R97-D131 VanDerWaalsContact NH2-CG 3.34Å; R97-D131 PolarHBondContact NH2-O 3.42Å; R97-D131 IonicContact NH2-OD1 3.37Å; R97-D131 PolarHBondContact NH2-OD1 3.16Å; R97-D131 IonicContact NH2-OD2 3.46Å; R97-D131 PolarHBondContact NH2-OD2 3.33Å; R97-E139 IonicContact CZ-OE1 3.58Å; R97-E139 IonicContact CZ-OE2 2.76Å; R97-E139 IonicContact NE-OE1 3.46Å; R97-E139 PolarHBondContact NE-OE1 3.31Å; R97-E139 IonicContact NE-OE2 2.85Å; R97-E139 PolarHBondContact NE-OE2 3.19Å; R97-E139 IonicContact NH2-OE1 3.53Å; R97-E139 PolarHBondContact NH2-OE1 3.5Å; R97-E139 IonicContact NH2-OE2 3.92Å; R97-A142 HydrophobicContact CG-CB 4.33Å
98	E	97.9	Very high	94.8	Very high	99 Å²	99	64.1 Å²	64.1	46%	0.463	31%	0.309	S	S	.	.	S	Bend	trans	-73.1	138.6	-179.1	-69.1	-168.5	178.4	0	0	111	K91 F95 W96 K146	K91-E98 HydrophobicContact CD-CB 4.36Å; K91-E98 WeakPolarHBondContact CE-OE2 3.48Å; K91-E98 HydrophobicContact CG-CB 4.33Å; F95-E98 HydrophobicContact CB-CG 4.1Å; F95-E98 WeakPolarHBondContact O-CB 3.17Å; F95-E98 PolarHBondContact O-N 3.03Å; W96-E98 VanDerWaalsContact C-N 3.32Å; W96-E98 PolarHBondContact O-N 3.05Å; E98-K146 WeakPolarHBondContact O-CD 3.35Å; E98-K146 WeakPolarHBondContact O-CE 3.47Å; E98-K146 PolarHBondContact O-NZ 3.34Å
99	L	97.8	Very high	95.2	Very high	74 Å²	74	64.8 Å²	64.8	39%	0.387	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-76.5	152.1	172.1	-61.1	-175.8	0	0	0	110.2	K91 K146 Q149	K91-L99 PolarHBondContact NZ-O 3.09Å; L99-K146 HydrophobicContact CD2-CB 4.33Å; L99-K146 HydrophobicContact CD2-CD 4.24Å; L99-Q149 HydrophobicContact CD2-CB 4.43Å
100	Y	97.4	Very high	95.5	Very high	15 Å²	15	66.5 Å²	66.5	6%	0.059	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.4	143.6	170	-69.7	-69.7	0	0	0	110	D89 K91 E104 L108 Y124 K146 Q149 V150 F153	D89-Y100 PolarHBondContact OD2-OH 3.25Å; D89-Y100 VanDerWaalsContact OD2-OH 3.04Å; K91-Y100 HydrophobicContact CB-CD1 4.24Å; K91-Y100 HydrophobicContact CB-CE1 3.65Å; K91-Y100 HydrophobicContact CD-CD1 3.88Å; K91-Y100 HydrophobicContact CD-CE1 4.14Å; Y100-E104 WeakPolarHBondContact CA-OE2 3.32Å; Y100-E104 HydrophobicContact CD1-CB 3.87Å; Y100-E104 HydrophobicContact CD1-CG 4.44Å; Y100-E104 WeakPolarHBondContact CD1-OE2 3.15Å; Y100-E104 HydrophobicContact CG-CB 4.32Å; Y100-L108 HydrophobicContact CD1-CD1 3.96Å; Y100-L108 HydrophobicContact CD2-CD1 3.62Å; Y100-L108 HydrophobicContact CE1-CD1 3.9Å; Y100-L108 HydrophobicContact CE2-CD1 3.54Å; Y100-L108 HydrophobicContact CG-CD1 3.83Å; Y100-Y124 HydrophobicContact CE2-CE2 4.01Å; Y100-Y124 AromaticContact CE2-CZ 3.98Å; Y100-Y124 WeakPolarHBondContact CE2-OH 3.32Å; Y100-Y124 PolarHBondContact OH-OH 3.28Å; Y100-K146 HydrophobicContact CD2-CD 4.41Å; Y100-K146 HydrophobicContact CE2-CD 4.39Å; Y100-Q149 PolarHBondContact O-NE2 2.99Å; Y100-V150 HydrophobicContact CD2-CG2 4.24Å; Y100-V150 HydrophobicContact CE2-CG2 4.06Å; Y100-F153 HydrophobicContact CD2-CE2 4.04Å
101	S	97.1	Very high	95.8	Very high	41 Å²	41	59 Å²	59	29%	0.287	29%	0.293	S	S	.	.			trans	-69.1	178.4	173.5	82.6	0	0	0	0	111.1	E103 E104 A105	S101-E103 VanDerWaalsContact C-N 3.3Å; S101-E103 WeakPolarHBondContact CB-OE2 3.48Å; S101-E103 PolarHBondContact O-N 2.91Å; S101-E103 PolarHBondContact OG-N 3.38Å; S101-E103 PolarHBondContact OG-OE2 3.15Å; S101-E104 PolarHBondContact N-OE2 3.5Å; S101-E104 WeakPolarHBondContact OG-CG 3.46Å; S101-E104 PolarHBondContact OG-N 3.02Å; S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.5Å
102	V	95.8	Very high	95.9	Very high	113 Å²	113	58.3 Å²	58.3	69%	0.685	29%	0.291	S	S	*	.	H	α-helix	trans	-66	-38.5	177.9	-178	0	0	0	0	110.7	A105 E106	V102-A105 PolarHBondContact O-N 3.11Å; V102-E106 WeakPolarHBondContact O-CB 3.41Å; V102-E106 PolarHBondContact O-N 2.51Å
103	E	94.7	Very high	96.1	Very high	116 Å²	116	61.7 Å²	61.7	54%	0.542	32%	0.315	S	S	.	.	H	α-helix	trans	-72	-43.4	-178.9	-50.8	73.4	-161.1	0	0	111.3	S101 A105 Q107	S101-E103 VanDerWaalsContact C-N 3.3Å; S101-E103 WeakPolarHBondContact CB-OE2 3.48Å; S101-E103 PolarHBondContact O-N 2.91Å; S101-E103 PolarHBondContact OG-N 3.38Å; S101-E103 PolarHBondContact OG-OE2 3.15Å; E103-A105 VanDerWaalsContact C-N 3.34Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.48Å; E103-Q107 PolarHBondContact O-N 3.47Å; E103-Q107 VanDerWaalsContact O-N 3.13Å
104	E	94.7	Very high	96.3	Very high	63 Å²	63	61.7 Å²	61.7	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-65.9	-36.9	173.3	-66.1	166.9	169.1	0	0	111.5	K91 Y100 S101 Q107 L108	K91-E104 IonicContact NZ-OE1 3.44Å; K91-E104 PolarHBondContact NZ-OE1 2.96Å; K91-E104 VanDerWaalsContact NZ-OE1 3.17Å; K91-E104 IonicContact NZ-OE2 3.51Å; K91-E104 PolarHBondContact NZ-OE2 3.43Å; Y100-E104 WeakPolarHBondContact CA-OE2 3.32Å; Y100-E104 HydrophobicContact CD1-CB 3.87Å; Y100-E104 HydrophobicContact CD1-CG 4.44Å; Y100-E104 WeakPolarHBondContact CD1-OE2 3.15Å; Y100-E104 HydrophobicContact CG-CB 4.32Å; S101-E104 PolarHBondContact N-OE2 3.5Å; S101-E104 WeakPolarHBondContact OG-CG 3.46Å; S101-E104 PolarHBondContact OG-N 3.02Å; E104-Q107 PolarHBondContact O-N 2.87Å; E104-L108 WeakPolarHBondContact O-CG 3.22Å; E104-L108 PolarHBondContact O-N 3.08Å
105	A	93.8	Very high	96.6	Very high	12 Å²	12	56.9 Å²	56.9	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-47	175.4	0	0	0	0	0	112.2	S101 V102 E103 Q107 L108 M109 F153	S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.5Å; V102-A105 PolarHBondContact O-N 3.11Å; E103-A105 VanDerWaalsContact C-N 3.34Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 3.14Å; A105-L108 PolarHBondContact O-N 2.73Å; A105-M109 WeakPolarHBondContact O-CB 3.48Å; A105-M109 VanDerWaalsContact O-CG 3.27Å; A105-M109 WeakPolarHBondContact O-CG 3.37Å; A105-M109 PolarHBondContact O-N 2.9Å; A105-F153 HydrophobicContact CB-CD1 4.35Å; A105-F153 HydrophobicContact CB-CE1 3.41Å; A105-F153 VanDerWaalsContact CB-CE1 3.41Å; A105-F153 HydrophobicContact CB-CE2 4.26Å; A105-F153 HydrophobicContact CB-CZ 3.35Å
106	E	94.9	Very high	96.6	Very high	134 Å²	134	60 Å²	60	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-60.5	-39.6	176.6	-177.5	171.4	-150.9	0	0	111.6	V102 T110	V102-E106 WeakPolarHBondContact O-CB 3.41Å; V102-E106 PolarHBondContact O-N 2.51Å; E106-T110 WeakPolarHBondContact O-CB 3.27Å; E106-T110 PolarHBondContact O-N 3.34Å; E106-T110 PolarHBondContact O-OG1 3.27Å
107	Q	93.4	Very high	96.6	Very high	102 Å²	102	67.2 Å²	67.2	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-51.5	172.6	-75.4	175.8	33.6	0	0	112	M64 E103 E104 A105 T110 L111	M64-Q107 HydrophobicContact CE-CB 3.8Å; M64-Q107 WeakPolarHBondContact CE-O 3.46Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.48Å; E103-Q107 PolarHBondContact O-N 3.47Å; E103-Q107 VanDerWaalsContact O-N 3.13Å; E104-Q107 PolarHBondContact O-N 2.87Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 3.14Å; Q107-T110 WeakPolarHBondContact O-CB 3.46Å; Q107-T110 PolarHBondContact O-N 2.94Å; Q107-L111 PolarHBondContact O-N 3.44Å
108	L	94.9	Very high	96.6	Very high	11 Å²	11	66 Å²	66	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-38.8	179.6	-73.9	171.5	0	0	0	112.9	Y84 Y100 E104 A105 T110 L111 V112 F153	Y84-L108 HydrophobicContact CE2-CD2 4.36Å; Y100-L108 HydrophobicContact CD1-CD1 3.96Å; Y100-L108 HydrophobicContact CD2-CD1 3.62Å; Y100-L108 HydrophobicContact CE1-CD1 3.9Å; Y100-L108 HydrophobicContact CE2-CD1 3.54Å; Y100-L108 HydrophobicContact CG-CD1 3.83Å; E104-L108 WeakPolarHBondContact O-CG 3.22Å; E104-L108 PolarHBondContact O-N 3.08Å; A105-L108 PolarHBondContact O-N 2.73Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 3.16Å; L108-L111 HydrophobicContact CD2-CD2 4.41Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 3.5Å; L108-L111 VanDerWaalsContact O-N 3.15Å; L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.23Å; L108-F153 HydrophobicContact CB-CD2 3.75Å; L108-F153 HydrophobicContact CB-CE2 4.04Å; L108-F153 HydrophobicContact CD1-CD2 4.22Å; L108-F153 HydrophobicContact CD1-CE2 3.86Å
109	M	96.9	Very high	96.5	Very high	88 Å²	88	64 Å²	64	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-59.3	-42.4	172.5	-75.8	-179.6	70.1	0	0	112	A105 L111 S113 F153	A105-M109 WeakPolarHBondContact O-CB 3.48Å; A105-M109 VanDerWaalsContact O-CG 3.27Å; A105-M109 WeakPolarHBondContact O-CG 3.37Å; A105-M109 PolarHBondContact O-N 2.9Å; M109-L111 VanDerWaalsContact C-N 3.32Å; M109-L111 PolarHBondContact O-N 3.3Å; M109-S113 VanDerWaalsContact O-CB 3.29Å; M109-S113 WeakPolarHBondContact O-CB 3.42Å; M109-S113 PolarHBondContact O-N 2.99Å; M109-S113 PolarHBondContact O-OG 3.49Å; M109-F153 HydrophobicContact CG-CB 3.56Å; M109-F153 HydrophobicContact CG-CD1 3.68Å; M109-F153 HydrophobicContact CG-CG 3.77Å; M109-F153 HydrophobicContact SD-CD1 4.04Å
110	T	97.1	Very high	96.6	Very high	61 Å²	61	60.9 Å²	60.9	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-38	175.3	-60.1	0	0	0	0	111.4	E106 Q107 L108 A114	E106-T110 WeakPolarHBondContact O-CB 3.27Å; E106-T110 PolarHBondContact O-N 3.34Å; E106-T110 PolarHBondContact O-OG1 3.27Å; Q107-T110 WeakPolarHBondContact O-CB 3.46Å; Q107-T110 PolarHBondContact O-N 2.94Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 3.16Å; T110-A114 WeakPolarHBondContact O-CB 3.26Å; T110-A114 PolarHBondContact O-N 2.96Å
111	L	97	Very high	96.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.5	-47.7	-180	-167.3	65.9	0	0	0	112.7	M64 R67 F71 Y84 Q107 L108 M109 S113 A114 A115 F122	M64-L111 HydrophobicContact CE-CB 3.7Å; M64-L111 HydrophobicContact CE-CD1 4.1Å; M64-L111 HydrophobicContact CE-CD2 4.1Å; M64-L111 HydrophobicContact CE-CG 4.19Å; M64-L111 HydrophobicContact SD-CD2 4.46Å; R67-L111 HydrophobicContact CB-CD1 3.66Å; F71-L111 HydrophobicContact CE2-CD1 3.64Å; F71-L111 HydrophobicContact CE2-CG 4.14Å; F71-L111 WeakPolarHBondContact CE2-O 3.32Å; F71-L111 HydrophobicContact CZ-CD1 3.75Å; F71-L111 HydrophobicContact CZ-CG 4.04Å; Y84-L111 HydrophobicContact CD2-CD2 4.44Å; Q107-L111 PolarHBondContact O-N 3.44Å; L108-L111 HydrophobicContact CD2-CD2 4.41Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 3.5Å; L108-L111 VanDerWaalsContact O-N 3.15Å; M109-L111 VanDerWaalsContact C-N 3.32Å; M109-L111 PolarHBondContact O-N 3.3Å; L111-S113 VanDerWaalsContact C-N 3.26Å; L111-S113 PolarHBondContact O-N 3.02Å; L111-A114 PolarHBondContact O-N 3Å; L111-A115 PolarHBondContact O-N 2.89Å; L111-F122 HydrophobicContact CD2-CE2 3.59Å; L111-F122 HydrophobicContact CD2-CZ 4.01Å; L111-F122 HydrophobicContact CG-CE2 3.78Å
112	V	97.7	Very high	96.7	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-38.8	175.3	171.8	0	0	0	0	110.7	L108 K116 F122 C155	L108-V112 WeakPolarHBondContact O-CG2 3.45Å; L108-V112 PolarHBondContact O-N 3.23Å; V112-K116 WeakPolarHBondContact O-CB 3.47Å; V112-K116 PolarHBondContact O-N 2.7Å; V112-K116 VanDerWaalsContact O-N 3.13Å; V112-F122 HydrophobicContact CG2-CD1 3.78Å; V112-F122 HydrophobicContact CG2-CD2 4.41Å; V112-F122 HydrophobicContact CG2-CE1 3.91Å; V112-F122 HydrophobicContact CG2-CG 4.04Å; V112-F122 HydrophobicContact CG2-CZ 4.29Å; V112-C155 HydrophobicContact CG2-CB 4.38Å
113	S	97.6	Very high	96.8	Very high	71 Å²	71	55.3 Å²	55.3	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-44.8	175.5	-60.6	0	0	0	0	112.3	M109 L111 K116 E117	M109-S113 VanDerWaalsContact O-CB 3.29Å; M109-S113 WeakPolarHBondContact O-CB 3.42Å; M109-S113 PolarHBondContact O-N 2.99Å; M109-S113 PolarHBondContact O-OG 3.49Å; L111-S113 VanDerWaalsContact C-N 3.26Å; L111-S113 PolarHBondContact O-N 3.02Å; S113-K116 PolarHBondContact O-N 2.87Å; S113-E117 PolarHBondContact O-N 3.24Å
114	A	98.1	Very high	97	Very high	8 Å²	8	49.8 Å²	49.8	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-35.4	178.2	0	0	0	0	0	113.1	K68 F71 T110 L111 E117 H118	K68-A114 HydrophobicContact CG-CB 3.9Å; F71-A114 HydrophobicContact CD2-CB 4.15Å; F71-A114 HydrophobicContact CE2-CB 4.29Å; T110-A114 WeakPolarHBondContact O-CB 3.26Å; T110-A114 PolarHBondContact O-N 2.96Å; L111-A114 PolarHBondContact O-N 3Å; A114-E117 PolarHBondContact O-N 2.83Å; A114-H118 PolarHBondContact O-N 2.82Å; A114-H118 PolarHBondContact O-ND1 2.98Å
115	A	98.3	Very high	97.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-48.5	173	0	0	0	0	0	110.7	F71 L111 E117 H118 G119 I120 F122	F71-A115 HydrophobicContact CD2-CB 3.95Å; F71-A115 HydrophobicContact CE1-CB 4.31Å; F71-A115 HydrophobicContact CE2-CB 3.67Å; F71-A115 HydrophobicContact CG-CB 4.38Å; F71-A115 HydrophobicContact CZ-CB 3.88Å; L111-A115 PolarHBondContact O-N 2.89Å; A115-E117 VanDerWaalsContact C-N 3.35Å; A115-E117 PolarHBondContact O-N 2.87Å; A115-H118 CarbonylContact O-C 3.51Å; A115-H118 PolarHBondContact O-N 2.98Å; A115-H118 VanDerWaalsContact O-N 3.16Å; A115-G119 PolarHBondContact O-N 3.5Å; A115-G119 VanDerWaalsContact O-N 3.16Å; A115-I120 CarbonylContact C-O 3.35Å; A115-I120 HydrophobicContact CB-CB 4.34Å; A115-I120 PolarHBondContact O-N 3.29Å; A115-F122 HydrophobicContact CB-CB 3.92Å; A115-F122 HydrophobicContact CB-CD2 4.09Å; A115-F122 HydrophobicContact CB-CG 4.49Å
116	K	97.1	Very high	97.4	Very high	173 Å²	173	46.2 Å²	46.2	75%	0.752	24%	0.244	S	C	*	.	H	α-helix	trans	-60.6	-39.5	177	-178.4	-171.4	172.5	-165.3	0	113	V112 S113 H118 G119	V112-K116 WeakPolarHBondContact O-CB 3.47Å; V112-K116 PolarHBondContact O-N 2.7Å; V112-K116 VanDerWaalsContact O-N 3.13Å; S113-K116 PolarHBondContact O-N 2.87Å; K116-H118 VanDerWaalsContact C-N 3.3Å; K116-H118 PolarHBondContact O-N 2.96Å; K116-G119 PolarHBondContact O-N 3.05Å; K116-G119 VanDerWaalsContact O-N 3.17Å
117	E	97.8	Very high	97.6	Very high	152 Å²	152	39.9 Å²	39.9	71%	0.71	22%	0.215	S	C	*	.	H	α-helix	trans	-59.3	-40.2	175.3	180	175.8	-154.3	0	0	112	S113 A114 A115 G119	S113-E117 PolarHBondContact O-N 3.24Å; A114-E117 PolarHBondContact O-N 2.83Å; A115-E117 VanDerWaalsContact C-N 3.35Å; A115-E117 PolarHBondContact O-N 2.87Å; E117-G119 VanDerWaalsContact C-N 3.29Å; E117-G119 PolarHBondContact O-N 3.04Å
118	H	98.1	Very high	97.8	Very high	40 Å²	40	35 Å²	35	19%	0.185	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1	178.1	-67.4	81.6	0	0	0	113.8	F71 Q75 A114 A115 K116 I120	F71-H118 HydrophobicContact CB-CB 3.88Å; Q75-H118 HydrophobicContact CB-CB 4.32Å; Q75-H118 VanDerWaalsContact CG-O 3.31Å; Q75-H118 WeakPolarHBondContact CG-O 3.49Å; Q75-H118 PolarHBondContact NE2-O 2.98Å; A114-H118 PolarHBondContact O-N 2.82Å; A114-H118 PolarHBondContact O-ND1 2.98Å; A115-H118 CarbonylContact O-C 3.51Å; A115-H118 PolarHBondContact O-N 2.98Å; A115-H118 VanDerWaalsContact O-N 3.16Å; K116-H118 VanDerWaalsContact C-N 3.3Å; K116-H118 PolarHBondContact O-N 2.96Å; H118-I120 VanDerWaalsContact C-N 3.29Å; H118-I120 HydrophobicContact CB-CG1 4.06Å
119	G	97.2	Very high	97.8	Very high	58 Å²	58	35.1 Å²	35.1	60%	0.598	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	17.6	-176.8	0	0	0	0	0	114.5	A115 K116 E117	A115-G119 PolarHBondContact O-N 3.5Å; A115-G119 VanDerWaalsContact O-N 3.16Å; K116-G119 PolarHBondContact O-N 3.05Å; K116-G119 VanDerWaalsContact O-N 3.17Å; E117-G119 VanDerWaalsContact C-N 3.29Å; E117-G119 PolarHBondContact O-N 3.04Å
120	I	98.4	Very high	97.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.036	20%	0.196	C	C	.	.			trans	-90.6	128.8	178.8	-53.7	-56.1	0	0	0	109.9	F71 Q74 L79 A115 H118 F122	F71-I120 HydrophobicContact CB-CG1 4.02Å; F71-I120 HydrophobicContact CD1-CG1 4.5Å; F71-I120 HydrophobicContact CD1-CG2 4.26Å; Q74-I120 HydrophobicContact CB-CD1 3.69Å; Q74-I120 HydrophobicContact CB-CG1 4.47Å; L79-I120 WeakPolarHBondContact O-CD1 3.34Å; A115-I120 CarbonylContact C-O 3.35Å; A115-I120 HydrophobicContact CB-CB 4.34Å; A115-I120 PolarHBondContact O-N 3.29Å; H118-I120 VanDerWaalsContact C-N 3.29Å; H118-I120 HydrophobicContact CB-CG1 4.06Å; I120-F122 PolarHBondContact O-N 3.08Å
121	E	98.4	Very high	97.6	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.8	171.8	-175.6	164.3	171.4	0	0	110.4	K48 N80 Y82 I123 S157 T200	K48-E121 WeakPolarHBondContact CE-OE2 3.25Å; K48-E121 IonicContact NZ-OE1 2.74Å; K48-E121 PolarHBondContact NZ-OE1 3.32Å; K48-E121 IonicContact NZ-OE2 2.75Å; K48-E121 PolarHBondContact NZ-OE2 2.58Å; N80-E121 PolarHBondContact O-N 2.83Å; Y82-E121 PolarHBondContact N-O 2.87Å; E121-I123 HydrophobicContact CG-CG1 4.35Å; E121-S157 WeakPolarHBondContact OE1-CB 3.13Å; E121-S157 PolarHBondContact OE1-OG 2.65Å; E121-T200 WeakPolarHBondContact OE1-CB 3.29Å; E121-T200 PolarHBondContact OE1-OG1 3.46Å
122	F	98.7	Very high	97.6	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.7	176.6	-170.9	-78.7	0	0	0	110.4	F71 Y82 Y84 L111 V112 A115 I120	F71-F122 HydrophobicContact CZ-CD2 4.25Å; F71-F122 HydrophobicContact CZ-CE2 4.48Å; Y82-F122 AromaticContact CD1-CD2 3.67Å; Y82-F122 HydrophobicContact CD1-CD2 3.67Å; Y82-F122 AromaticContact CD1-CE2 3.68Å; Y82-F122 HydrophobicContact CD1-CE2 3.68Å; Y82-F122 HydrophobicContact CE1-CD2 4.04Å; Y82-F122 AromaticContact CE1-CE2 3.54Å; Y82-F122 HydrophobicContact CE1-CE2 3.54Å; Y82-F122 HydrophobicContact CE1-CZ 4.22Å; Y84-F122 HydrophobicContact CD2-CZ 4.15Å; Y84-F122 HydrophobicContact CG-CZ 4.07Å; L111-F122 HydrophobicContact CD2-CE2 3.59Å; L111-F122 HydrophobicContact CD2-CZ 4.01Å; L111-F122 HydrophobicContact CG-CE2 3.78Å; V112-F122 HydrophobicContact CG2-CD1 3.78Å; V112-F122 HydrophobicContact CG2-CD2 4.41Å; V112-F122 HydrophobicContact CG2-CE1 3.91Å; V112-F122 HydrophobicContact CG2-CG 4.04Å; V112-F122 HydrophobicContact CG2-CZ 4.29Å; A115-F122 HydrophobicContact CB-CB 3.92Å; A115-F122 HydrophobicContact CB-CD2 4.09Å; A115-F122 HydrophobicContact CB-CG 4.49Å; I120-F122 PolarHBondContact O-N 3.08Å
123	I	98.8	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.3	175.7	-49	-178.4	0	0	0	108.9	T81 Y82 L83 Y84 E121 S157 A159 T200 L202	T81-I123 HydrophobicContact CG2-CD1 3.48Å; T81-I123 VanDerWaalsContact CG2-CD1 3.48Å; T81-I123 HydrophobicContact CG2-CG1 3.98Å; Y82-I123 PolarHBondContact O-N 2.68Å; L83-I123 HydrophobicContact CD1-CB 3.74Å; L83-I123 HydrophobicContact CD1-CG2 3.56Å; Y84-I123 PolarHBondContact N-O 3.27Å; E121-I123 HydrophobicContact CG-CG1 4.35Å; I123-S157 WeakPolarHBondContact CA-O 3.48Å; I123-A159 HydrophobicContact CG2-CB 4.26Å; I123-T200 HydrophobicContact CD1-CG2 3.74Å; I123-L202 HydrophobicContact CD1-CD1 3.83Å; I123-L202 HydrophobicContact CD1-CG 4.32Å; I123-L202 HydrophobicContact CG2-CD1 4.3Å; I123-L202 HydrophobicContact CG2-CG 4.46Å
124	Y	98.8	Very high	97.6	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.1	174.4	178.1	-99.3	0	0	0	111	Y84 Y100 I126 K146 L147 V150 S157 F158 A159	Y84-Y124 AromaticContact CD1-CD2 3.89Å; Y84-Y124 HydrophobicContact CD1-CD2 3.89Å; Y84-Y124 AromaticContact CD1-CE2 3.95Å; Y84-Y124 HydrophobicContact CD1-CE2 3.95Å; Y84-Y124 HydrophobicContact CE1-CD2 4.46Å; Y84-Y124 HydrophobicContact CE1-CE2 4.1Å; Y100-Y124 HydrophobicContact CE2-CE2 4.01Å; Y100-Y124 AromaticContact CE2-CZ 3.98Å; Y100-Y124 WeakPolarHBondContact CE2-OH 3.32Å; Y100-Y124 PolarHBondContact OH-OH 3.28Å; Y124-I126 HydrophobicContact CE1-CB 4.07Å; Y124-K146 WeakPolarHBondContact OH-CE 3.35Å; Y124-L147 HydrophobicContact CD1-CD2 3.92Å; Y124-L147 HydrophobicContact CE1-CD2 4.01Å; Y124-V150 HydrophobicContact CD1-CB 4.29Å; Y124-V150 HydrophobicContact CD1-CG1 4Å; Y124-V150 HydrophobicContact CD1-CG2 4.18Å; Y124-V150 HydrophobicContact CD2-CG1 3.95Å; Y124-V150 HydrophobicContact CD2-CG2 4.34Å; Y124-V150 HydrophobicContact CE1-CG2 3.94Å; Y124-V150 HydrophobicContact CE2-CG2 4.12Å; Y124-V150 HydrophobicContact CG-CB 4.41Å; Y124-V150 HydrophobicContact CG-CG1 3.66Å; Y124-V150 HydrophobicContact CG-CG2 4.37Å; Y124-S157 PolarHBondContact N-O 2.99Å; Y124-F158 HydrophobicContact CD1-CD1 4.26Å; Y124-F158 CarbonylContact O-C 3.51Å; Y124-F158 VanDerWaalsContact O-CA 3.3Å; Y124-F158 WeakPolarHBondContact O-CA 3.16Å; Y124-A159 PolarHBondContact O-N 3.34Å
125	A	98.7	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	159.8	170.9	0	0	0	0	0	112.5	L83 Y84 A85 H92 A159 L161	L83-A125 HydrophobicContact CD1-CB 4.05Å; Y84-A125 WeakPolarHBondContact O-CB 3.09Å; Y84-A125 PolarHBondContact O-N 3.31Å; A85-A125 HydrophobicContact CB-CB 3.84Å; H92-A125 PolarHBondContact CD2-O 3.4Å; H92-A125 VanDerWaalsContact CD2-O 3.3Å; A125-A159 CarbonylContact C-O 3.52Å; A125-A159 WeakPolarHBondContact CA-O 3.39Å; A125-A159 HydrophobicContact CB-CB 3.92Å; A125-L161 HydrophobicContact CB-CD1 3.73Å; A125-L161 HydrophobicContact CB-CD2 4.43Å; A125-L161 HydrophobicContact CB-CG 3.98Å
126	I	98.6	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140.7	164.7	-168.9	163.7	0	0	0	110.2	W96 Y124 P128 L143 K146 L147 A159 L160 L161	W96-I126 HydrophobicContact CB-CD1 4.07Å; W96-I126 HydrophobicContact CB-CG1 4Å; W96-I126 HydrophobicContact CE3-CD1 4.47Å; Y124-I126 HydrophobicContact CE1-CB 4.07Å; I126-P128 VanDerWaalsContact C-CD 3.41Å; I126-P128 WeakPolarHBondContact O-CD 3.41Å; I126-L143 HydrophobicContact CD1-CD1 3.99Å; I126-L143 HydrophobicContact CG1-CD1 4.49Å; I126-L143 HydrophobicContact CG2-CD1 3.78Å; I126-K146 HydrophobicContact CD1-CB 4.43Å; I126-K146 HydrophobicContact CD1-CG 3.58Å; I126-L147 HydrophobicContact CG2-CD2 4.07Å; I126-A159 PolarHBondContact N-O 3Å; I126-L160 HydrophobicContact CG2-CD2 3.42Å; I126-L160 VanDerWaalsContact CG2-CD2 3.42Å; I126-L161 PolarHBondContact O-N 3.5Å
127	S	97.9	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.			trans	-115.8	68.3	-170.9	-63.1	0	0	0	0	112.4	H92 G129	H92-S127 PolarHBondContact CE1-OG 3.41Å; H92-S127 PolarHBondContact NE2-OG 2.91Å; H92-S127 PolarHBondContact O-N 3.3Å; S127-G129 PolarHBondContact O-N 2.91Å
128	P	97.4	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-75.3	-8.1	-173.7	32.7	-37.6	0	0	0	114.7	W96 I126 L130 I132 F162	W96-P128 HydrophobicContact CD2-CB 3.69Å; W96-P128 HydrophobicContact CE3-CB 4.11Å; W96-P128 HydrophobicContact CG-CB 4.05Å; W96-P128 HydrophobicContact CH2-CB 4.47Å; W96-P128 HydrophobicContact CZ2-CB 4.08Å; W96-P128 HydrophobicContact CZ3-CB 4.49Å; I126-P128 VanDerWaalsContact C-CD 3.41Å; I126-P128 WeakPolarHBondContact O-CD 3.41Å; P128-L130 PolarHBondContact O-N 3.25Å; P128-I132 HydrophobicContact CB-CB 4.35Å; P128-I132 HydrophobicContact CB-CD1 4.1Å; P128-I132 HydrophobicContact CB-CG2 4.44Å; P128-I132 WeakPolarHBondContact O-CB 3.45Å; P128-I132 VanDerWaalsContact O-CG2 3.23Å; P128-I132 WeakPolarHBondContact O-CG2 3.38Å; P128-I132 PolarHBondContact O-N 3.37Å; P128-F162 HydrophobicContact CG-CE1 4.1Å; P128-F162 HydrophobicContact CG-CZ 4.29Å
129	G	95.7	Very high	97.4	Very high	13 Å²	13	36.3 Å²	36.3	13%	0.134	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64.5	-13.3	-164.2	0	0	0	0	0	117.4	S127	S127-G129 PolarHBondContact O-N 2.91Å
130	L	94.1	Very high	97.5	Very high	83 Å²	83	33.8 Å²	33.8	44%	0.435	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-71.7	-35.3	-176.9	-73.2	174.6	0	0	0	113.8	R93 M94 P128 I165	R93-L130 HydrophobicContact CG-CD1 3.76Å; R93-L130 HydrophobicContact CG-CG 4.49Å; M94-L130 HydrophobicContact CE-CD1 4.29Å; M94-L130 HydrophobicContact SD-CD1 3.65Å; P128-L130 PolarHBondContact O-N 3.25Å; L130-I165 HydrophobicContact CD2-CG2 4.01Å; L130-I165 HydrophobicContact CG-CG2 4.41Å
131	D	95.4	Very high	97.5	Very high	80 Å²	80	36 Å²	36	43%	0.428	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.5	10.1	-169.5	80	-15.7	0	0	0	114.5	W96 R97	W96-D131 PolarHBondContact NE1-OD1 3.44Å; R97-D131 IonicContact CZ-OD1 2.73Å; R97-D131 IonicContact CZ-OD2 3.94Å; R97-D131 IonicContact NH1-OD1 3.22Å; R97-D131 PolarHBondContact NH1-OD1 2.92Å; R97-D131 IonicContact NH1-OD2 2.74Å; R97-D131 PolarHBondContact NH1-OD2 3.13Å; R97-D131 VanDerWaalsContact NH2-CG 3.34Å; R97-D131 PolarHBondContact NH2-O 3.42Å; R97-D131 IonicContact NH2-OD1 3.37Å; R97-D131 PolarHBondContact NH2-OD1 3.16Å; R97-D131 IonicContact NH2-OD2 3.46Å; R97-D131 PolarHBondContact NH2-OD2 3.33Å
132	I	97.2	Very high	97.5	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.056	18%	0.182	C	C	.	.			trans	-71.6	132	178.4	-171.6	166.7	0	0	0	111.9	W96 P128 F134 E139 I187	W96-I132 HydrophobicContact CH2-CD1 3.95Å; W96-I132 HydrophobicContact CH2-CG1 4.26Å; W96-I132 HydrophobicContact CZ2-CB 3.91Å; W96-I132 HydrophobicContact CZ2-CD1 3.99Å; W96-I132 HydrophobicContact CZ2-CG1 3.93Å; P128-I132 HydrophobicContact CB-CB 4.35Å; P128-I132 HydrophobicContact CB-CD1 4.1Å; P128-I132 HydrophobicContact CB-CG2 4.44Å; P128-I132 WeakPolarHBondContact O-CB 3.45Å; P128-I132 VanDerWaalsContact O-CG2 3.23Å; P128-I132 WeakPolarHBondContact O-CG2 3.38Å; P128-I132 PolarHBondContact O-N 3.37Å; I132-F134 HydrophobicContact CG2-CD1 4.45Å; I132-F134 HydrophobicContact CG2-CD2 4.14Å; I132-F134 HydrophobicContact CG2-CE1 4.02Å; I132-F134 HydrophobicContact CG2-CE2 3.66Å; I132-F134 HydrophobicContact CG2-CZ 3.6Å; I132-E139 HydrophobicContact CD1-CB 4.38Å; I132-E139 HydrophobicContact CG1-CB 4.03Å; I132-E139 HydrophobicContact CG1-CG 4.47Å; I132-I187 HydrophobicContact CD1-CD1 3.52Å
133	T	97.6	Very high	97.5	Very high	41 Å²	41	33.7 Å²	33.7	25%	0.252	18%	0.18	S	C	.	.			trans	-91.7	101.9	163.9	-57	0	0	0	0	108.9	S135 N136	T133-S135 VanDerWaalsContact C-N 3.27Å; T133-S135 PolarHBondContact O-N 2.89Å; T133-N136 HydrophobicContact CG2-CB 3.79Å; T133-N136 WeakPolarHBondContact O-CB 3.23Å; T133-N136 PolarHBondContact O-N 3Å; T133-N136 VanDerWaalsContact O-N 3.09Å
134	F	97.2	Very high	97.5	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.057	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.6	-170.4	-67.7	-94.5	0	0	0	113.6	I132 N136 F162 D173 F177 F180 A183 Q184 I187	I132-F134 HydrophobicContact CG2-CD1 4.45Å; I132-F134 HydrophobicContact CG2-CD2 4.14Å; I132-F134 HydrophobicContact CG2-CE1 4.02Å; I132-F134 HydrophobicContact CG2-CE2 3.66Å; I132-F134 HydrophobicContact CG2-CZ 3.6Å; F134-N136 VanDerWaalsContact C-N 3.32Å; F134-F162 HydrophobicContact CE1-CD1 4.48Å; F134-F162 AromaticContact CE1-CE1 3.67Å; F134-F162 HydrophobicContact CE1-CE1 3.67Å; F134-F162 HydrophobicContact CE1-CZ 4.15Å; F134-F162 HydrophobicContact CZ-CD1 4.28Å; F134-F162 AromaticContact CZ-CE1 3.83Å; F134-F162 HydrophobicContact CZ-CE1 3.83Å; F134-D173 PolarHBondContact N-OD1 3.46Å; F134-D173 PolarHBondContact N-OD2 3.35Å; F134-D173 VanDerWaalsContact N-OD2 3.08Å; F134-F177 HydrophobicContact CB-CD2 4.27Å; F134-F177 HydrophobicContact CB-CE2 3.66Å; F134-F177 HydrophobicContact CB-CZ 4.36Å; F134-F180 HydrophobicContact CE2-CD2 4.42Å; F134-F180 AromaticContact CE2-CE2 3.85Å; F134-F180 HydrophobicContact CE2-CE2 3.85Å; F134-F180 HydrophobicContact CZ-CE2 4.03Å; F134-A183 HydrophobicContact CB-CB 3.92Å; F134-A183 HydrophobicContact CD1-CB 3.94Å; F134-A183 HydrophobicContact CD2-CB 4.12Å; F134-A183 HydrophobicContact CE1-CB 4.5Å; F134-A183 HydrophobicContact CG-CB 3.74Å; F134-Q184 HydrophobicContact CE1-CB 4.47Å; F134-Q184 HydrophobicContact CE1-CG 3.92Å; F134-Q184 HydrophobicContact CZ-CG 3.96Å; F134-I187 HydrophobicContact CD1-CG2 3.81Å; F134-I187 HydrophobicContact CE1-CG2 3.99Å
135	S	96.9	Very high	97.4	Very high	42 Å²	42	41.6 Å²	41.6	29%	0.294	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.3	179.7	55.5	0	0	0	0	113.9	T133 Q137 D173	T133-S135 VanDerWaalsContact C-N 3.27Å; T133-S135 PolarHBondContact O-N 2.89Å; S135-Q137 PolarHBondContact O-N 2.77Å; S135-D173 WeakPolarHBondContact CB-OD1 3.28Å; S135-D173 PolarHBondContact N-OD1 3.02Å; S135-D173 PolarHBondContact OG-OD1 3.42Å
136	N	97.5	Very high	97.4	Very high	61 Å²	61	41.6 Å²	41.6	33%	0.326	21%	0.21	S	C	.	.			trans	-89.4	105.3	-175.3	-179.6	1.3	0	0	0	110.8	T133 F134 K138 E139 V140	T133-N136 HydrophobicContact CG2-CB 3.79Å; T133-N136 WeakPolarHBondContact O-CB 3.23Å; T133-N136 PolarHBondContact O-N 3Å; T133-N136 VanDerWaalsContact O-N 3.09Å; F134-N136 VanDerWaalsContact C-N 3.32Å; N136-K138 PolarHBondContact O-N 2.7Å; N136-K138 WeakPolarHBondContact OD1-CB 3.32Å; N136-K138 PolarHBondContact OD1-N 3.03Å; N136-K138 VanDerWaalsContact OD1-N 3.1Å; N136-E139 HydrophobicContact CB-CG 3.86Å; N136-E139 WeakPolarHBondContact O-CB 3.31Å; N136-E139 PolarHBondContact O-N 2.67Å; N136-V140 PolarHBondContact O-N 3.46Å
137	Q	96.9	Very high	97.4	Very high	110 Å²	110	41.6 Å²	41.6	51%	0.514	21%	0.21	S	C	.	.	H	α-helix	trans	-55.7	-22	-179.8	-162.3	70	62.5	0	0	113.8	S135 E139 S141 E190	S135-Q137 PolarHBondContact O-N 2.77Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-S141 VanDerWaalsContact O-CB 3.28Å; Q137-S141 WeakPolarHBondContact O-CB 3.44Å; Q137-S141 PolarHBondContact O-N 2.96Å; Q137-S141 PolarHBondContact O-OG 2.82Å; Q137-E190 PolarHBondContact NE2-OE1 2.82Å
138	K	97.4	Very high	97.4	Very high	167 Å²	167	43.6 Å²	43.6	73%	0.726	22%	0.221	S	C	*	.	H	α-helix	trans	-66.2	-34.8	173.1	-63.8	-177.7	179.4	177.9	0	112.4	N136 S141 A142	N136-K138 PolarHBondContact O-N 2.7Å; N136-K138 WeakPolarHBondContact OD1-CB 3.32Å; N136-K138 PolarHBondContact OD1-N 3.03Å; N136-K138 VanDerWaalsContact OD1-N 3.1Å; K138-S141 CarbonylContact O-C 3.45Å; K138-S141 PolarHBondContact O-N 2.84Å; K138-A142 PolarHBondContact O-N 3.48Å
139	E	97.7	Very high	97.5	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-47.5	177.3	-58.2	-72.2	-139.4	0	0	110.7	W96 R97 I132 N136 Q137 S141 A142 L143	W96-E139 HydrophobicContact CH2-CB 4.29Å; R97-E139 IonicContact CZ-OE1 3.58Å; R97-E139 IonicContact CZ-OE2 2.76Å; R97-E139 IonicContact NE-OE1 3.46Å; R97-E139 PolarHBondContact NE-OE1 3.31Å; R97-E139 IonicContact NE-OE2 2.85Å; R97-E139 PolarHBondContact NE-OE2 3.19Å; R97-E139 IonicContact NH2-OE1 3.53Å; R97-E139 PolarHBondContact NH2-OE1 3.5Å; R97-E139 IonicContact NH2-OE2 3.92Å; I132-E139 HydrophobicContact CD1-CB 4.38Å; I132-E139 HydrophobicContact CG1-CB 4.03Å; I132-E139 HydrophobicContact CG1-CG 4.47Å; N136-E139 HydrophobicContact CB-CG 3.86Å; N136-E139 WeakPolarHBondContact O-CB 3.31Å; N136-E139 PolarHBondContact O-N 2.67Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; E139-S141 PolarHBondContact O-N 3.37Å; E139-A142 WeakPolarHBondContact O-CA 3.42Å; E139-A142 WeakPolarHBondContact O-CB 3.35Å; E139-A142 PolarHBondContact O-N 3.47Å; E139-L143 PolarHBondContact O-N 3.26Å
140	V	97.7	Very high	97.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-38.4	172.8	-173	0	0	0	0	110.7	N136 L143 K144 I187 E190	N136-V140 PolarHBondContact O-N 3.46Å; V140-L143 PolarHBondContact O-N 2.67Å; V140-K144 HydrophobicContact CG1-CD 4.43Å; V140-K144 WeakPolarHBondContact O-CB 3.41Å; V140-K144 VanDerWaalsContact O-CG 3.29Å; V140-K144 WeakPolarHBondContact O-CG 3.33Å; V140-K144 PolarHBondContact O-N 3.36Å; V140-I187 HydrophobicContact CG1-CG1 4.48Å; V140-I187 HydrophobicContact CG2-CD1 3.98Å; V140-I187 HydrophobicContact CG2-CG1 4.3Å; V140-E190 WeakPolarHBondContact CG1-OE1 3.42Å
141	S	98.3	Very high	97.7	Very high	53 Å²	53	43.6 Å²	43.6	37%	0.371	22%	0.219	S	C	.	.	H	α-helix	trans	-74.3	-20.6	175.3	-54.5	0	0	0	0	114	Q137 K138 E139 R145	Q137-S141 VanDerWaalsContact O-CB 3.28Å; Q137-S141 WeakPolarHBondContact O-CB 3.44Å; Q137-S141 PolarHBondContact O-N 2.96Å; Q137-S141 PolarHBondContact O-OG 2.82Å; K138-S141 CarbonylContact O-C 3.45Å; K138-S141 PolarHBondContact O-N 2.84Å; E139-S141 PolarHBondContact O-N 3.37Å; S141-R145 VanDerWaalsContact O-CG 3.29Å; S141-R145 WeakPolarHBondContact O-CG 3.47Å; S141-R145 PolarHBondContact O-N 3.49Å; S141-R145 PolarHBondContact O-NE 3.09Å; S141-R145 VanDerWaalsContact O-NE 3.13Å
142	A	98.4	Very high	97.8	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-77.2	-45.1	169.8	0	0	0	0	0	110.5	W96 R97 K138 E139 K144 R145 K146	W96-A142 HydrophobicContact CH2-CB 4.49Å; W96-A142 HydrophobicContact CZ3-CB 4.25Å; R97-A142 HydrophobicContact CG-CB 4.33Å; K138-A142 PolarHBondContact O-N 3.48Å; E139-A142 WeakPolarHBondContact O-CA 3.42Å; E139-A142 WeakPolarHBondContact O-CB 3.35Å; E139-A142 PolarHBondContact O-N 3.47Å; A142-K144 PolarHBondContact O-N 2.99Å; A142-R145 PolarHBondContact O-N 2.75Å; A142-K146 PolarHBondContact O-N 3.16Å
143	L	98.6	Very high	97.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-46.2	177.5	-174.1	55.8	0	0	0	111.4	W96 I126 E139 V140 K146 L147 L160 I187 I191	W96-L143 HydrophobicContact CE3-CD1 4.25Å; W96-L143 HydrophobicContact CH2-CB 4.48Å; W96-L143 HydrophobicContact CZ3-CB 3.8Å; W96-L143 HydrophobicContact CZ3-CD1 4.21Å; I126-L143 HydrophobicContact CD1-CD1 3.99Å; I126-L143 HydrophobicContact CG1-CD1 4.49Å; I126-L143 HydrophobicContact CG2-CD1 3.78Å; E139-L143 PolarHBondContact O-N 3.26Å; V140-L143 PolarHBondContact O-N 2.67Å; L143-K146 PolarHBondContact O-N 3.32Å; L143-L147 HydrophobicContact CD1-CD1 4Å; L143-L147 HydrophobicContact CD1-CG 4.42Å; L143-L147 HydrophobicContact CG-CD1 4.03Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.02Å; L143-L160 HydrophobicContact CD1-CD2 4.34Å; L143-L160 HydrophobicContact CD2-CD2 4.33Å; L143-I187 HydrophobicContact CD2-CD1 3.66Å; L143-I187 HydrophobicContact CD2-CG1 4.08Å; L143-I191 HydrophobicContact CB-CD1 4.24Å; L143-I191 HydrophobicContact CD2-CD1 3.87Å; L143-I191 HydrophobicContact CD2-CG1 3.77Å; L143-I191 HydrophobicContact CG-CD1 3.82Å; L143-I191 HydrophobicContact CG-CG1 4.21Å
144	K	98.7	Very high	97.7	Very high	30 Å²	30	47.8 Å²	47.8	13%	0.13	25%	0.245	C	C	.	.	H	α-helix	trans	-56	-54.6	173.9	-74.3	178.5	-179.4	-178.9	0	112.1	V140 A142 K146 L147 D148 E190 I191 Y194	V140-K144 HydrophobicContact CG1-CD 4.43Å; V140-K144 WeakPolarHBondContact O-CB 3.41Å; V140-K144 VanDerWaalsContact O-CG 3.29Å; V140-K144 WeakPolarHBondContact O-CG 3.33Å; V140-K144 PolarHBondContact O-N 3.36Å; A142-K144 PolarHBondContact O-N 2.99Å; K144-K146 VanDerWaalsContact C-N 3.27Å; K144-K146 PolarHBondContact O-N 3.47Å; K144-L147 PolarHBondContact O-N 3.46Å; K144-L147 VanDerWaalsContact O-N 3.12Å; K144-D148 WeakPolarHBondContact O-CB 3.14Å; K144-D148 PolarHBondContact O-N 2.6Å; K144-D148 VanDerWaalsContact O-OD2 3.07Å; K144-E190 WeakPolarHBondContact CE-OE1 3.36Å; K144-E190 IonicContact NZ-OE1 2.75Å; K144-E190 PolarHBondContact NZ-OE1 3.36Å; K144-I191 HydrophobicContact CD-CD1 4.42Å; K144-I191 HydrophobicContact CG-CD1 3.48Å; K144-I191 VanDerWaalsContact CG-CD1 3.48Å; K144-Y194 HydrophobicContact CB-CD1 4.05Å; K144-Y194 HydrophobicContact CB-CE1 3.6Å; K144-Y194 HydrophobicContact CD-CD1 3.83Å; K144-Y194 HydrophobicContact CD-CD2 3.73Å; K144-Y194 HydrophobicContact CD-CE1 3.98Å; K144-Y194 HydrophobicContact CD-CE2 3.87Å; K144-Y194 HydrophobicContact CD-CG 3.69Å; K144-Y194 HydrophobicContact CG-CD1 3.57Å; K144-Y194 HydrophobicContact CG-CD2 4.41Å; K144-Y194 HydrophobicContact CG-CE1 3.66Å; K144-Y194 HydrophobicContact CG-CE2 4.47Å; K144-Y194 HydrophobicContact CG-CG 3.96Å
145	R	98.4	Very high	97.7	Very high	136 Å²	136	47.4 Å²	47.4	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-34.4	179.4	-72	-178.9	-56.1	128.6	7.2	113.8	S141 A142 Q149	S141-R145 VanDerWaalsContact O-CG 3.29Å; S141-R145 WeakPolarHBondContact O-CG 3.47Å; S141-R145 PolarHBondContact O-N 3.49Å; S141-R145 PolarHBondContact O-NE 3.09Å; S141-R145 VanDerWaalsContact O-NE 3.13Å; A142-R145 PolarHBondContact O-N 2.75Å; R145-Q149 PolarHBondContact O-N 3.15Å
146	K	98.4	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-44	176.5	179.1	58.4	166.7	-72.9	0	111.6	K91 W96 E98 L99 Y100 Y124 I126 A142 L143 K144 Q149 V150	K91-K146 PolarHBondContact O-NZ 3.33Å; W96-K146 PolarHBondContact O-NZ 3.43Å; E98-K146 WeakPolarHBondContact O-CD 3.35Å; E98-K146 WeakPolarHBondContact O-CE 3.47Å; E98-K146 PolarHBondContact O-NZ 3.34Å; L99-K146 HydrophobicContact CD2-CB 4.33Å; L99-K146 HydrophobicContact CD2-CD 4.24Å; Y100-K146 HydrophobicContact CD2-CD 4.41Å; Y100-K146 HydrophobicContact CE2-CD 4.39Å; Y124-K146 WeakPolarHBondContact OH-CE 3.35Å; I126-K146 HydrophobicContact CD1-CB 4.43Å; I126-K146 HydrophobicContact CD1-CG 3.58Å; A142-K146 PolarHBondContact O-N 3.16Å; L143-K146 PolarHBondContact O-N 3.32Å; K144-K146 VanDerWaalsContact C-N 3.27Å; K144-K146 PolarHBondContact O-N 3.47Å; K146-Q149 WeakPolarHBondContact O-CB 2.86Å; K146-Q149 PolarHBondContact O-N 3.04Å; K146-V150 PolarHBondContact O-N 3.16Å
147	L	98.5	Very high	97.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-71.5	-34.4	176.6	-65.8	168.6	0	0	0	112	Y124 I126 L143 K144 Q149 V150 T151 F158 L160 I191 L195	Y124-L147 HydrophobicContact CD1-CD2 3.92Å; Y124-L147 HydrophobicContact CE1-CD2 4.01Å; I126-L147 HydrophobicContact CG2-CD2 4.07Å; L143-L147 HydrophobicContact CD1-CD1 4Å; L143-L147 HydrophobicContact CD1-CG 4.42Å; L143-L147 HydrophobicContact CG-CD1 4.03Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.02Å; K144-L147 PolarHBondContact O-N 3.46Å; K144-L147 VanDerWaalsContact O-N 3.12Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 2.93Å; L147-V150 PolarHBondContact O-N 3.18Å; L147-T151 WeakPolarHBondContact O-CB 3.37Å; L147-T151 PolarHBondContact O-N 3.05Å; L147-T151 PolarHBondContact O-OG1 3.35Å; L147-F158 HydrophobicContact CD2-CD1 3.82Å; L147-F158 HydrophobicContact CD2-CE1 4.31Å; L147-L160 HydrophobicContact CD1-CD2 4.48Å; L147-I191 HydrophobicContact CD1-CD1 4.42Å; L147-I191 HydrophobicContact CD1-CG2 3.45Å; L147-I191 VanDerWaalsContact CD1-CG2 3.45Å; L147-L195 HydrophobicContact CB-CD1 4.3Å; L147-L195 HydrophobicContact CB-CD2 4.24Å; L147-L195 HydrophobicContact CD1-CD1 4.23Å
148	D	98.4	Very high	97.8	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.219	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-46.8	168.8	-71.1	-42.3	0	0	0	110.5	K144 V150 T151 H152 Y194	K144-D148 WeakPolarHBondContact O-CB 3.14Å; K144-D148 PolarHBondContact O-N 2.6Å; K144-D148 VanDerWaalsContact O-OD2 3.07Å; D148-V150 VanDerWaalsContact C-N 3.33Å; D148-V150 PolarHBondContact O-N 3.21Å; D148-T151 WeakPolarHBondContact O-CB 3.09Å; D148-T151 PolarHBondContact O-N 2.79Å; D148-T151 VanDerWaalsContact O-N 3.17Å; D148-H152 PolarHBondContact O-N 2.95Å; D148-H152 PolarHBondContact O-ND1 3.3Å; D148-Y194 VanDerWaalsContact OD1-CE1 3.29Å; D148-Y194 WeakPolarHBondContact OD1-CE1 3.22Å; D148-Y194 PolarHBondContact OD1-OH 2.76Å; D148-Y194 PolarHBondContact OD2-OH 3.41Å
149	Q	98.3	Very high	97.9	Very high	38 Å²	38	37.8 Å²	37.8	18%	0.178	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-46.7	178	-165.4	-168.9	16.3	0	0	111.4	L99 Y100 R145 K146 L147 T151 H152 F153	L99-Q149 HydrophobicContact CD2-CB 4.43Å; Y100-Q149 PolarHBondContact O-NE2 2.99Å; R145-Q149 PolarHBondContact O-N 3.15Å; K146-Q149 WeakPolarHBondContact O-CB 2.86Å; K146-Q149 PolarHBondContact O-N 3.04Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 2.93Å; Q149-T151 VanDerWaalsContact C-N 3.35Å; Q149-T151 PolarHBondContact O-N 2.86Å; Q149-H152 WeakPolarHBondContact O-CB 3.45Å; Q149-H152 PolarHBondContact O-N 3.48Å; Q149-F153 HydrophobicContact CG-CE1 3.87Å; Q149-F153 HydrophobicContact CG-CE2 4.44Å; Q149-F153 HydrophobicContact CG-CZ 3.62Å; Q149-F153 VanDerWaalsContact O-CD1 3.29Å; Q149-F153 WeakPolarHBondContact O-CD1 3.44Å; Q149-F153 WeakPolarHBondContact O-CE1 2.9Å; Q149-F153 PolarHBondContact O-N 2.94Å
150	V	97.6	Very high	97.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-71.7	-28.7	179.3	-179	0	0	0	0	112.5	Y100 Y124 K146 L147 D148 H152 F153 C155 F158	Y100-V150 HydrophobicContact CD2-CG2 4.24Å; Y100-V150 HydrophobicContact CE2-CG2 4.06Å; Y124-V150 HydrophobicContact CD1-CB 4.29Å; Y124-V150 HydrophobicContact CD1-CG1 4Å; Y124-V150 HydrophobicContact CD1-CG2 4.18Å; Y124-V150 HydrophobicContact CD2-CG1 3.95Å; Y124-V150 HydrophobicContact CD2-CG2 4.34Å; Y124-V150 HydrophobicContact CE1-CG2 3.94Å; Y124-V150 HydrophobicContact CE2-CG2 4.12Å; Y124-V150 HydrophobicContact CG-CB 4.41Å; Y124-V150 HydrophobicContact CG-CG1 3.66Å; Y124-V150 HydrophobicContact CG-CG2 4.37Å; K146-V150 PolarHBondContact O-N 3.16Å; L147-V150 PolarHBondContact O-N 3.18Å; D148-V150 VanDerWaalsContact C-N 3.33Å; D148-V150 PolarHBondContact O-N 3.21Å; V150-H152 VanDerWaalsContact C-N 3.34Å; V150-F153 HydrophobicContact CB-CD2 4.3Å; V150-F153 HydrophobicContact CG1-CD2 4.36Å; V150-F153 HydrophobicContact CG2-CD2 4.19Å; V150-F153 HydrophobicContact CG2-CE2 4.11Å; V150-F153 WeakPolarHBondContact O-CB 3.45Å; V150-F153 PolarHBondContact O-N 3.41Å; V150-F153 VanDerWaalsContact O-N 3.14Å; V150-C155 HydrophobicContact CG1-CB 3.75Å; V150-C155 WeakPolarHBondContact O-CB 3.45Å; V150-C155 PolarHBondContact O-N 2.87Å; V150-F158 HydrophobicContact CB-CE1 4.46Å; V150-F158 HydrophobicContact CG1-CE1 4.27Å
151	T	97.6	Very high	98	Very high	56 Å²	56	36.5 Å²	36.5	34%	0.344	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-40.6	169.5	-53.6	0	0	0	0	111	L147 D148 Q149 F153 G154 F158	L147-T151 WeakPolarHBondContact O-CB 3.37Å; L147-T151 PolarHBondContact O-N 3.05Å; L147-T151 PolarHBondContact O-OG1 3.35Å; D148-T151 WeakPolarHBondContact O-CB 3.09Å; D148-T151 PolarHBondContact O-N 2.79Å; D148-T151 VanDerWaalsContact O-N 3.17Å; Q149-T151 VanDerWaalsContact C-N 3.35Å; Q149-T151 PolarHBondContact O-N 2.86Å; T151-F153 PolarHBondContact O-N 3.24Å; T151-G154 PolarHBondContact O-N 3.28Å; T151-F158 VanDerWaalsContact OG1-CZ 3.28Å; T151-F158 WeakPolarHBondContact OG1-CZ 3.49Å
152	H	97.1	Very high	98	Very high	156 Å²	156	34 Å²	34	72%	0.722	17%	0.17	S	C	*	.	H	α-helix	trans	-66.2	-20.7	174.3	-71.7	78.6	0	0	0	113	D148 Q149 V150 G154	D148-H152 PolarHBondContact O-N 2.95Å; D148-H152 PolarHBondContact O-ND1 3.3Å; Q149-H152 WeakPolarHBondContact O-CB 3.45Å; Q149-H152 PolarHBondContact O-N 3.48Å; V150-H152 VanDerWaalsContact C-N 3.34Å; H152-G154 PolarHBondContact O-N 3.4Å
153	F	96.6	Very high	97.8	Very high	18 Å²	18	34 Å²	34	8%	0.079	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.3	170.7	-53.7	-19.6	0	0	0	113.4	Y100 A105 L108 M109 Q149 V150 T151	Y100-F153 HydrophobicContact CD2-CE2 4.04Å; A105-F153 HydrophobicContact CB-CD1 4.35Å; A105-F153 HydrophobicContact CB-CE1 3.41Å; A105-F153 VanDerWaalsContact CB-CE1 3.41Å; A105-F153 HydrophobicContact CB-CE2 4.26Å; A105-F153 HydrophobicContact CB-CZ 3.35Å; L108-F153 HydrophobicContact CB-CD2 3.75Å; L108-F153 HydrophobicContact CB-CE2 4.04Å; L108-F153 HydrophobicContact CD1-CD2 4.22Å; L108-F153 HydrophobicContact CD1-CE2 3.86Å; M109-F153 HydrophobicContact CG-CB 3.56Å; M109-F153 HydrophobicContact CG-CD1 3.68Å; M109-F153 HydrophobicContact CG-CG 3.77Å; M109-F153 HydrophobicContact SD-CD1 4.04Å; Q149-F153 HydrophobicContact CG-CE1 3.87Å; Q149-F153 HydrophobicContact CG-CE2 4.44Å; Q149-F153 HydrophobicContact CG-CZ 3.62Å; Q149-F153 VanDerWaalsContact O-CD1 3.29Å; Q149-F153 WeakPolarHBondContact O-CD1 3.44Å; Q149-F153 WeakPolarHBondContact O-CE1 2.9Å; Q149-F153 PolarHBondContact O-N 2.94Å; V150-F153 HydrophobicContact CB-CD2 4.3Å; V150-F153 HydrophobicContact CG1-CD2 4.36Å; V150-F153 HydrophobicContact CG2-CD2 4.19Å; V150-F153 HydrophobicContact CG2-CE2 4.11Å; V150-F153 WeakPolarHBondContact O-CB 3.45Å; V150-F153 PolarHBondContact O-N 3.41Å; V150-F153 VanDerWaalsContact O-N 3.14Å; T151-F153 PolarHBondContact O-N 3.24Å
154	G	95.6	Very high	97.4	Very high	47 Å²	47	37 Å²	37	49%	0.485	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	3.8	180	0	0	0	0	0	114.8	T151 H152	T151-G154 PolarHBondContact O-N 3.28Å; H152-G154 PolarHBondContact O-N 3.4Å
155	C	97.1	Very high	97.2	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.027	18%	0.184	C	C	.	.			trans	-69.3	149.6	173.4	-170.9	0	0	0	0	110.8	V112 V150 S157 F158	V112-C155 HydrophobicContact CG2-CB 4.38Å; V150-C155 HydrophobicContact CG1-CB 3.75Å; V150-C155 WeakPolarHBondContact O-CB 3.45Å; V150-C155 PolarHBondContact O-N 2.87Å; C155-S157 PolarHBondContact SG-O 2.92Å; C155-S157 VanDerWaalsContact SG-O 3.32Å; C155-F158 HydrophobicContact CB-CE1 4.36Å; C155-F158 HydrophobicContact CB-CZ 4.31Å
156	K	96.4	Very high	96.6	Very high	164 Å²	164	35.4 Å²	35.4	71%	0.713	19%	0.188	S	C	*	.			trans	-132	-15.1	-176.3	-64.3	-173.3	176.4	-172.1	0	114.7	P198	K156-P198 VanDerWaalsContact O-CB 3.29Å; K156-P198 WeakPolarHBondContact O-CB 3.39Å
157	S	98.6	Very high	96.2	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.9	-169.6	-57.2	0	0	0	0	107.8	E121 I123 Y124 C155 T200	E121-S157 WeakPolarHBondContact OE1-CB 3.13Å; E121-S157 PolarHBondContact OE1-OG 2.65Å; I123-S157 WeakPolarHBondContact CA-O 3.48Å; Y124-S157 PolarHBondContact N-O 2.99Å; C155-S157 PolarHBondContact SG-O 2.92Å; C155-S157 VanDerWaalsContact SG-O 3.32Å; S157-T200 WeakPolarHBondContact CA-O 3.29Å
158	F	98.8	Very high	95.7	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159.9	-165.1	-62.1	-81	0	0	0	112.3	Y124 L147 V150 T151 C155 L195 P198 T200 F201 L202	Y124-F158 HydrophobicContact CD1-CD1 4.26Å; Y124-F158 CarbonylContact O-C 3.51Å; Y124-F158 VanDerWaalsContact O-CA 3.3Å; Y124-F158 WeakPolarHBondContact O-CA 3.16Å; L147-F158 HydrophobicContact CD2-CD1 3.82Å; L147-F158 HydrophobicContact CD2-CE1 4.31Å; V150-F158 HydrophobicContact CB-CE1 4.46Å; V150-F158 HydrophobicContact CG1-CE1 4.27Å; T151-F158 VanDerWaalsContact OG1-CZ 3.28Å; T151-F158 WeakPolarHBondContact OG1-CZ 3.49Å; C155-F158 HydrophobicContact CB-CE1 4.36Å; C155-F158 HydrophobicContact CB-CZ 4.31Å; F158-L195 HydrophobicContact CD2-CD1 3.86Å; F158-L195 HydrophobicContact CE2-CD1 4.23Å; F158-L195 HydrophobicContact CG-CD1 4.12Å; F158-P198 HydrophobicContact CD2-CG 4.46Å; F158-T200 PolarHBondContact N-O 2.91Å; F158-F201 HydrophobicContact CB-CD2 3.8Å; F158-F201 HydrophobicContact CB-CE2 3.71Å; F158-F201 CarbonylContact O-C 3.54Å; F158-F201 VanDerWaalsContact O-CA 3.28Å; F158-F201 WeakPolarHBondContact O-CA 3.37Å; F158-L202 PolarHBondContact O-N 2.87Å
159	A	98.9	Very high	95.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143	172.4	0	0	0	0	0	112.2	L83 I123 Y124 A125 I126 L161 L202	L83-A159 HydrophobicContact CD1-CB 3.98Å; I123-A159 HydrophobicContact CG2-CB 4.26Å; Y124-A159 PolarHBondContact O-N 3.34Å; A125-A159 CarbonylContact C-O 3.52Å; A125-A159 WeakPolarHBondContact CA-O 3.39Å; A125-A159 HydrophobicContact CB-CB 3.92Å; I126-A159 PolarHBondContact N-O 3Å; A159-L161 HydrophobicContact CB-CD2 4.27Å; A159-L202 VanDerWaalsContact CA-O 3.23Å; A159-L202 WeakPolarHBondContact CA-O 3.46Å; A159-L202 HydrophobicContact CB-CB 3.79Å; A159-L202 HydrophobicContact CB-CG 4.43Å
160	L	98.8	Very high	95.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.4	164.8	-62.1	-175.8	0	0	0	109.4	I126 L143 L147 F162 T188 I191 F201 L202 C204	I126-L160 HydrophobicContact CG2-CD2 3.42Å; I126-L160 VanDerWaalsContact CG2-CD2 3.42Å; L143-L160 HydrophobicContact CD1-CD2 4.34Å; L143-L160 HydrophobicContact CD2-CD2 4.33Å; L147-L160 HydrophobicContact CD1-CD2 4.48Å; L160-F162 HydrophobicContact CB-CE2 3.88Å; L160-F162 HydrophobicContact CB-CZ 4.49Å; L160-T188 HydrophobicContact CD1-CG2 4.15Å; L160-I191 HydrophobicContact CD1-CB 4.35Å; L160-I191 HydrophobicContact CD1-CG1 4.47Å; L160-I191 HydrophobicContact CD1-CG2 4.42Å; L160-F201 HydrophobicContact CD1-CE1 4.45Å; L160-F201 HydrophobicContact CD1-CZ 4.23Å; L160-F201 HydrophobicContact CG-CE1 4.08Å; L160-F201 HydrophobicContact CG-CZ 3.88Å; L160-L202 PolarHBondContact N-O 2.9Å; L160-C204 PolarHBondContact O-N 3.46Å
161	L	98.7	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.7	-178.5	-48.2	-178.1	0	0	0	110.8	A85 A125 I126 A159 C204 L237 W267	A85-L161 HydrophobicContact CB-CD1 3.78Å; A125-L161 HydrophobicContact CB-CD1 3.73Å; A125-L161 HydrophobicContact CB-CD2 4.43Å; A125-L161 HydrophobicContact CB-CG 3.98Å; I126-L161 PolarHBondContact O-N 3.5Å; A159-L161 HydrophobicContact CB-CD2 4.27Å; L161-C204 HydrophobicContact CB-CB 4.25Å; L161-C204 HydrophobicContact CD2-CB 3.46Å; L161-C204 VanDerWaalsContact CD2-CB 3.46Å; L161-C204 HydrophobicContact CG-CB 4.44Å; L161-L237 HydrophobicContact CD2-CD1 4.05Å; L161-W267 HydrophobicContact CD1-CH2 4.44Å; L161-W267 HydrophobicContact CD1-CZ3 4.29Å; L161-W267 HydrophobicContact CD2-CZ3 4.38Å
162	F	98.4	Very high	95	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	27%	0.269	C	S	.	.			trans	-123.2	30.7	173.2	-60.4	-80.4	0	0	0	110.9	P128 F134 L160 I165 Q184 I187 F203 C204 T206	P128-F162 HydrophobicContact CG-CE1 4.1Å; P128-F162 HydrophobicContact CG-CZ 4.29Å; F134-F162 HydrophobicContact CE1-CD1 4.48Å; F134-F162 AromaticContact CE1-CE1 3.67Å; F134-F162 HydrophobicContact CE1-CE1 3.67Å; F134-F162 HydrophobicContact CE1-CZ 4.15Å; F134-F162 HydrophobicContact CZ-CD1 4.28Å; F134-F162 AromaticContact CZ-CE1 3.83Å; F134-F162 HydrophobicContact CZ-CE1 3.83Å; L160-F162 HydrophobicContact CB-CE2 3.88Å; L160-F162 HydrophobicContact CB-CZ 4.49Å; F162-I165 HydrophobicContact CB-CD1 3.86Å; F162-I165 HydrophobicContact CD1-CD1 4.1Å; F162-I165 WeakPolarHBondContact O-CG1 3.39Å; F162-Q184 HydrophobicContact CD1-CG 3.88Å; F162-Q184 HydrophobicContact CD2-CB 4.34Å; F162-Q184 HydrophobicContact CD2-CG 4.24Å; F162-Q184 HydrophobicContact CE1-CG 4.11Å; F162-Q184 HydrophobicContact CE2-CB 4.29Å; F162-Q184 HydrophobicContact CE2-CG 4.44Å; F162-Q184 HydrophobicContact CG-CG 3.95Å; F162-Q184 HydrophobicContact CZ-CB 4.45Å; F162-Q184 HydrophobicContact CZ-CG 4.37Å; F162-I187 HydrophobicContact CZ-CG2 4.16Å; F162-F203 HydrophobicContact CD2-CD2 4.09Å; F162-F203 AromaticContact CD2-CE2 3.48Å; F162-F203 HydrophobicContact CD2-CE2 3.48Å; F162-F203 VanDerWaalsContact CD2-CE2 3.48Å; F162-F203 HydrophobicContact CD2-CZ 4.21Å; F162-F203 HydrophobicContact CE2-CD2 4.17Å; F162-F203 AromaticContact CE2-CE2 3.7Å; F162-F203 HydrophobicContact CE2-CE2 3.7Å; F162-C204 PolarHBondContact N-O 3.17Å; F162-T206 WeakPolarHBondContact O-CA 3.42Å; F162-T206 WeakPolarHBondContact O-CB 3.27Å; F162-T206 PolarHBondContact O-N 2.99Å; F162-T206 PolarHBondContact O-OG1 3.43Å
163	D	94.6	Very high	95	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.027	24%	0.235	C	C	.	.			trans	-72.6	150.4	173	61.7	-21.4	0	0	0	111.3	K87 R93 I165 Y208	K87-D163 WeakPolarHBondContact CE-OD2 3.28Å; K87-D163 IonicContact NZ-OD2 3.46Å; K87-D163 PolarHBondContact NZ-OD2 3.3Å; R93-D163 IonicContact CZ-OD1 2.7Å; R93-D163 PolarHBondContact NH1-O 2.89Å; R93-D163 IonicContact NH1-OD1 3.17Å; R93-D163 PolarHBondContact NH1-OD1 3.07Å; R93-D163 PolarHBondContact NH2-O 3.3Å; R93-D163 IonicContact NH2-OD1 2.69Å; D163-I165 WeakPolarHBondContact O-CG2 3.16Å; D163-I165 PolarHBondContact O-N 2.78Å; D163-Y208 HydrophobicContact CB-CD1 4.07Å; D163-Y208 HydrophobicContact CB-CE1 3.97Å
164	D	91.1	Very high	95	Very high	62 Å²	62	45.9 Å²	45.9	33%	0.332	26%	0.255	S	S	.	.	S	Bend	trans	49.4	51.9	170.8	-53.4	-28.4	0	0	0	114.4	Y58 R93 Y208	Y58-D164 PolarHBondContact OH-OD2 2.89Å; R93-D164 PolarHBondContact NH2-O 2.92Å; D164-Y208 WeakPolarHBondContact OD1-CE1 3.29Å; D164-Y208 PolarHBondContact OD1-OH 3.2Å
165	I	92.7	Very high	95	Very high	24 Å²	24	51.9 Å²	51.9	12%	0.123	27%	0.27	C	S	.	.			trans	-133.1	156.7	174.1	65.5	-176.2	0	0	0	111	L130 F162 D163 F180 T206	L130-I165 HydrophobicContact CD2-CG2 4.01Å; L130-I165 HydrophobicContact CG-CG2 4.41Å; F162-I165 HydrophobicContact CB-CD1 3.86Å; F162-I165 HydrophobicContact CD1-CD1 4.1Å; F162-I165 WeakPolarHBondContact O-CG1 3.39Å; D163-I165 WeakPolarHBondContact O-CG2 3.16Å; D163-I165 PolarHBondContact O-N 2.78Å; I165-F180 HydrophobicContact CD1-CE1 4.1Å; I165-F180 HydrophobicContact CD1-CZ 3.61Å; I165-F180 HydrophobicContact CG1-CE1 4.24Å; I165-F180 HydrophobicContact CG1-CZ 4.08Å; I165-T206 HydrophobicContact CG1-CG2 3.89Å; I165-T206 WeakPolarHBondContact O-CG2 3.38Å
166	D	86.9	Confident	95	Very high	109 Å²	109	56.1 Å²	56.1	58%	0.583	30%	0.296	S	S	*	.			trans	-73.5	155.4	175.1	-173.2	-102.8	0	0	0	112.2	N168 F180	D166-N168 VanDerWaalsContact C-N 3.32Å; D166-N168 PolarHBondContact O-N 2.72Å; D166-N168 WeakPolarHBondContact OD1-CB 3.36Å; D166-N168 PolarHBondContact OD1-N 3.08Å; D166-N168 PolarHBondContact OD1-ND2 2.86Å; D166-F180 VanDerWaalsContact O-CE1 3.3Å; D166-F180 WeakPolarHBondContact O-CE1 3.02Å; D166-F180 VanDerWaalsContact O-CZ 3.31Å; D166-F180 WeakPolarHBondContact O-CZ 3.38Å
167	H	88.8	Confident	95.1	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.426	27%	0.269	S	S	.	.	S	Bend	trans	-81.3	-4.1	-178.3	-72.3	66.4	0	0	0	114.2	M169 F180	H167-M169 PolarHBondContact O-N 2.95Å; H167-F180 HydrophobicContact CB-CD1 4.41Å
168	N	88.9	Confident	95	Very high	114 Å²	114	54.3 Å²	54.3	61%	0.61	30%	0.3	S	S	*	.			trans	-83	110.7	-179.4	-78.2	-79.9	0	0	0	113.8	D166 K174	D166-N168 VanDerWaalsContact C-N 3.32Å; D166-N168 PolarHBondContact O-N 2.72Å; D166-N168 WeakPolarHBondContact OD1-CB 3.36Å; D166-N168 PolarHBondContact OD1-N 3.08Å; D166-N168 PolarHBondContact OD1-ND2 2.86Å; N168-K174 PolarHBondContact OD1-NZ 3.34Å
169	M	92.9	Very high	94.9	Very high	19 Å²	19	55.9 Å²	55.9	9%	0.094	31%	0.311	C	S	.	.			trans	-65.5	152	161.1	-69.1	-171.1	-57.6	0	0	112.7	H167 D173 K174 F177 F180 A183	H167-M169 PolarHBondContact O-N 2.95Å; M169-D173 HydrophobicContact CB-CB 3.96Å; M169-D173 HydrophobicContact CG-CB 4.34Å; M169-D173 HydrophobicContact SD-CB 4.13Å; M169-K174 HydrophobicContact CB-CD 4.46Å; M169-K174 HydrophobicContact CB-CG 3.89Å; M169-K174 HydrophobicContact CE-CG 4.05Å; M169-K174 WeakPolarHBondContact O-CD 3.38Å; M169-K174 WeakPolarHBondContact O-CE 3.44Å; M169-K174 PolarHBondContact O-NZ 3.49Å; M169-F177 HydrophobicContact CE-CB 4.36Å; M169-F177 HydrophobicContact SD-CB 4.19Å; M169-F180 HydrophobicContact CG-CB 4.29Å; M169-F180 HydrophobicContact CG-CD2 3.54Å; M169-F180 HydrophobicContact CG-CE2 4.24Å; M169-F180 HydrophobicContact CG-CG 4.3Å; M169-F180 HydrophobicContact SD-CB 4.45Å; M169-F180 HydrophobicContact SD-CD2 4.26Å; M169-A183 HydrophobicContact SD-CB 3.71Å
170	C	93.3	Very high	94.8	Very high	44 Å²	44	56.7 Å²	56.7	30%	0.297	32%	0.315	S	S	.	.			trans	-67.3	167.9	170.2	82.3	0	0	0	0	112	A172 D173 K174	C170-A172 PolarHBondContact O-N 2.9Å; C170-D173 PolarHBondContact O-N 2.96Å; C170-D173 PolarHBondContact SG-N 2.96Å; C170-D173 PolarHBondContact SG-OD2 3.43Å; C170-K174 WeakPolarHBondContact O-CG 3.35Å; C170-K174 PolarHBondContact O-N 2.97Å; C170-K174 VanDerWaalsContact O-N 3.1Å
171	P	95.4	Very high	94.8	Very high	104 Å²	104	56.7 Å²	56.7	68%	0.675	32%	0.315	S	S	*	.	H	α-helix	trans	-58.2	-43.6	-179.8	-26.4	36.1	0	0	0	114.1	D173 K174 E175	P171-D173 PolarHBondContact O-N 3.01Å; P171-K174 WeakPolarHBondContact O-CB 3.41Å; P171-K174 PolarHBondContact O-N 2.69Å; P171-E175 PolarHBondContact O-N 2.76Å
172	A	96.1	Very high	94.8	Very high	44 Å²	44	59.4 Å²	59.4	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-39.8	-179.9	0	0	0	0	0	112.4	C170 K174 E175 V176	C170-A172 PolarHBondContact O-N 2.9Å; A172-K174 VanDerWaalsContact C-N 3.31Å; A172-K174 PolarHBondContact O-N 2.63Å; A172-E175 PolarHBondContact O-N 3.29Å; A172-V176 PolarHBondContact O-N 2.79Å
173	D	96.6	Very high	94.8	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-69.1	-31.4	176.8	-64.7	-25.2	0	0	0	112	F134 S135 M169 C170 P171 E175 V176 F177	F134-D173 PolarHBondContact N-OD1 3.46Å; F134-D173 PolarHBondContact N-OD2 3.35Å; F134-D173 VanDerWaalsContact N-OD2 3.08Å; S135-D173 WeakPolarHBondContact CB-OD1 3.28Å; S135-D173 PolarHBondContact N-OD1 3.02Å; S135-D173 PolarHBondContact OG-OD1 3.42Å; M169-D173 HydrophobicContact CB-CB 3.96Å; M169-D173 HydrophobicContact CG-CB 4.34Å; M169-D173 HydrophobicContact SD-CB 4.13Å; C170-D173 PolarHBondContact O-N 2.96Å; C170-D173 PolarHBondContact SG-N 2.96Å; C170-D173 PolarHBondContact SG-OD2 3.43Å; P171-D173 PolarHBondContact O-N 3.01Å; D173-E175 VanDerWaalsContact C-N 3.29Å; D173-E175 PolarHBondContact O-N 2.82Å; D173-V176 PolarHBondContact O-N 2.9Å; D173-F177 HydrophobicContact CB-CD2 4.34Å; D173-F177 PolarHBondContact O-N 3.02Å
174	K	95.6	Very high	95	Very high	114 Å²	114	59.1 Å²	59.1	50%	0.496	33%	0.326	S	S	.	.	H	α-helix	trans	-70	-20.2	173.2	-75.2	166.3	167.8	153.4	0	113.5	N168 M169 C170 P171 A172	N168-K174 PolarHBondContact OD1-NZ 3.34Å; M169-K174 HydrophobicContact CB-CD 4.46Å; M169-K174 HydrophobicContact CB-CG 3.89Å; M169-K174 HydrophobicContact CE-CG 4.05Å; M169-K174 WeakPolarHBondContact O-CD 3.38Å; M169-K174 WeakPolarHBondContact O-CE 3.44Å; M169-K174 PolarHBondContact O-NZ 3.49Å; C170-K174 WeakPolarHBondContact O-CG 3.35Å; C170-K174 PolarHBondContact O-N 2.97Å; C170-K174 VanDerWaalsContact O-N 3.1Å; P171-K174 WeakPolarHBondContact O-CB 3.41Å; P171-K174 PolarHBondContact O-N 2.69Å; A172-K174 VanDerWaalsContact C-N 3.31Å; A172-K174 PolarHBondContact O-N 2.63Å
175	E	97	Very high	95.3	Very high	173 Å²	173	56.2 Å²	56.2	81%	0.808	31%	0.311	S	S	*	.	H	α-helix	trans	-81.9	-24.2	171.9	-69.4	-179.9	-176.5	0	0	112.7	P171 A172 D173	P171-E175 PolarHBondContact O-N 2.76Å; A172-E175 PolarHBondContact O-N 3.29Å; D173-E175 VanDerWaalsContact C-N 3.29Å; D173-E175 PolarHBondContact O-N 2.82Å
176	V	97.4	Very high	95.6	Very high	93 Å²	93	57.7 Å²	57.7	56%	0.564	32%	0.323	S	S	*	.	H	α-helix	trans	-101.7	-38.4	-175.7	178.1	0	0	0	0	113	A172 D173	A172-V176 PolarHBondContact O-N 2.79Å; D173-V176 PolarHBondContact O-N 2.9Å
177	F	97.3	Very high	96.2	Very high	32 Å²	32	52.7 Å²	52.7	14%	0.14	30%	0.296	C	S	.	.			trans	-115.1	131.8	-172.6	-58.3	-73.4	0	0	0	112.6	F134 M169 D173 S179 H182 A183	F134-F177 HydrophobicContact CB-CD2 4.27Å; F134-F177 HydrophobicContact CB-CE2 3.66Å; F134-F177 HydrophobicContact CB-CZ 4.36Å; M169-F177 HydrophobicContact CE-CB 4.36Å; M169-F177 HydrophobicContact SD-CB 4.19Å; D173-F177 HydrophobicContact CB-CD2 4.34Å; D173-F177 PolarHBondContact O-N 3.02Å; F177-S179 VanDerWaalsContact C-N 3.3Å; F177-S179 PolarHBondContact O-N 3.48Å; F177-H182 HydrophobicContact CB-CB 4.45Å; F177-A183 HydrophobicContact CB-CB 3.94Å; F177-A183 HydrophobicContact CD1-CB 4.16Å; F177-A183 HydrophobicContact CD2-CB 3.58Å; F177-A183 HydrophobicContact CE2-CB 4.07Å; F177-A183 HydrophobicContact CG-CB 3.62Å
178	S	96.1	Very high	96.6	Very high	102 Å²	102	48.3 Å²	48.3	71%	0.713	28%	0.276	S	S	*	.	S	Bend	trans	-72.8	-16.6	-178.8	50.1	0	0	0	0	114.8	H182	S178-H182 PolarHBondContact OG-CE1 3.31Å; S178-H182 PolarHBondContact OG-ND1 3.14Å
179	S	97.2	Very high	97.1	Very high	38 Å²	38	44.2 Å²	44.2	27%	0.266	25%	0.254	S	S	.	.	S	Bend	trans	-160.9	165.3	168.7	71.1	0	0	0	0	111.3	F177 A181 H182 A183	F177-S179 VanDerWaalsContact C-N 3.3Å; F177-S179 PolarHBondContact O-N 3.48Å; S179-A181 VanDerWaalsContact C-N 3.27Å; S179-A181 PolarHBondContact O-N 2.96Å; S179-H182 WeakPolarHBondContact O-CB 3.4Å; S179-H182 PolarHBondContact O-N 3.29Å; S179-H182 PolarHBondContact OG-N 3.14Å; S179-H182 PolarHBondContact OG-ND1 2.63Å; S179-A183 PolarHBondContact O-N 3.25Å
180	F	97.6	Very high	97.4	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-39.2	177.8	-167.4	-146.6	0	0	0	112.6	F134 I165 D166 H167 M169 H182 A183 Q184 T206	F134-F180 HydrophobicContact CE2-CD2 4.42Å; F134-F180 AromaticContact CE2-CE2 3.85Å; F134-F180 HydrophobicContact CE2-CE2 3.85Å; F134-F180 HydrophobicContact CZ-CE2 4.03Å; I165-F180 HydrophobicContact CD1-CE1 4.1Å; I165-F180 HydrophobicContact CD1-CZ 3.61Å; I165-F180 HydrophobicContact CG1-CE1 4.24Å; I165-F180 HydrophobicContact CG1-CZ 4.08Å; D166-F180 VanDerWaalsContact O-CE1 3.3Å; D166-F180 WeakPolarHBondContact O-CE1 3.02Å; D166-F180 VanDerWaalsContact O-CZ 3.31Å; D166-F180 WeakPolarHBondContact O-CZ 3.38Å; H167-F180 HydrophobicContact CB-CD1 4.41Å; M169-F180 HydrophobicContact CG-CB 4.29Å; M169-F180 HydrophobicContact CG-CD2 3.54Å; M169-F180 HydrophobicContact CG-CE2 4.24Å; M169-F180 HydrophobicContact CG-CG 4.3Å; M169-F180 HydrophobicContact SD-CB 4.45Å; M169-F180 HydrophobicContact SD-CD2 4.26Å; F180-H182 VanDerWaalsContact C-N 3.33Å; F180-H182 PolarHBondContact O-N 2.99Å; F180-A183 PolarHBondContact O-N 3.1Å; F180-Q184 HydrophobicContact CD2-CG 4.39Å; F180-Q184 HydrophobicContact CE2-CG 4.43Å; F180-Q184 VanDerWaalsContact CZ-NE2 3.25Å; F180-Q184 WeakPolarHBondContact O-CG 3.47Å; F180-Q184 PolarHBondContact O-N 3.5Å; F180-T206 HydrophobicContact CE1-CG2 4.33Å
181	A	98.2	Very high	97.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-36.6	172.9	0	0	0	0	0	112.9	S179 V185 Y222 T225 V226	S179-A181 VanDerWaalsContact C-N 3.27Å; S179-A181 PolarHBondContact O-N 2.96Å; A181-V185 WeakPolarHBondContact O-CB 3.41Å; A181-V185 WeakPolarHBondContact O-CG2 3.41Å; A181-V185 PolarHBondContact O-N 2.86Å; A181-Y222 HydrophobicContact CB-CD2 3.61Å; A181-Y222 HydrophobicContact CB-CE2 3.88Å; A181-Y222 HydrophobicContact CB-CG 4.16Å; A181-T225 HydrophobicContact CB-CG2 3.61Å; A181-V226 HydrophobicContact CB-CG2 4.45Å
182	H	98.6	Very high	97.8	Very high	56 Å²	56	39.7 Å²	39.7	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-66.2	-40	175.3	-75.3	88.9	0	0	0	111.6	F177 S178 S179 F180 S186 T225	F177-H182 HydrophobicContact CB-CB 4.45Å; S178-H182 PolarHBondContact OG-CE1 3.31Å; S178-H182 PolarHBondContact OG-ND1 3.14Å; S179-H182 WeakPolarHBondContact O-CB 3.4Å; S179-H182 PolarHBondContact O-N 3.29Å; S179-H182 PolarHBondContact OG-N 3.14Å; S179-H182 PolarHBondContact OG-ND1 2.63Å; F180-H182 VanDerWaalsContact C-N 3.33Å; F180-H182 PolarHBondContact O-N 2.99Å; H182-S186 WeakPolarHBondContact O-CB 3.28Å; H182-S186 PolarHBondContact O-N 3.35Å; H182-T225 VanDerWaalsContact CE1-CG2 3.45Å; H182-T225 WeakPolarHBondContact CE1-CG2 3.21Å
183	A	98.3	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-52.5	176.9	0	0	0	0	0	111.9	F134 M169 F177 S179 F180 V185 S186 I187	F134-A183 HydrophobicContact CB-CB 3.92Å; F134-A183 HydrophobicContact CD1-CB 3.94Å; F134-A183 HydrophobicContact CD2-CB 4.12Å; F134-A183 HydrophobicContact CE1-CB 4.5Å; F134-A183 HydrophobicContact CG-CB 3.74Å; M169-A183 HydrophobicContact SD-CB 3.71Å; F177-A183 HydrophobicContact CB-CB 3.94Å; F177-A183 HydrophobicContact CD1-CB 4.16Å; F177-A183 HydrophobicContact CD2-CB 3.58Å; F177-A183 HydrophobicContact CE2-CB 4.07Å; F177-A183 HydrophobicContact CG-CB 3.62Å; S179-A183 PolarHBondContact O-N 3.25Å; F180-A183 PolarHBondContact O-N 3.1Å; A183-V185 PolarHBondContact O-N 3.49Å; A183-S186 PolarHBondContact O-N 2.7Å; A183-I187 PolarHBondContact O-N 3.27Å
184	Q	98.6	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-45.9	178.2	-69.1	177.1	-3.5	0	0	112.4	F134 F162 F180 I187 T188 F203 T206 Y222	F134-Q184 HydrophobicContact CE1-CB 4.47Å; F134-Q184 HydrophobicContact CE1-CG 3.92Å; F134-Q184 HydrophobicContact CZ-CG 3.96Å; F162-Q184 HydrophobicContact CD1-CG 3.88Å; F162-Q184 HydrophobicContact CD2-CB 4.34Å; F162-Q184 HydrophobicContact CD2-CG 4.24Å; F162-Q184 HydrophobicContact CE1-CG 4.11Å; F162-Q184 HydrophobicContact CE2-CB 4.29Å; F162-Q184 HydrophobicContact CE2-CG 4.44Å; F162-Q184 HydrophobicContact CG-CG 3.95Å; F162-Q184 HydrophobicContact CZ-CB 4.45Å; F162-Q184 HydrophobicContact CZ-CG 4.37Å; F180-Q184 HydrophobicContact CD2-CG 4.39Å; F180-Q184 HydrophobicContact CE2-CG 4.43Å; F180-Q184 VanDerWaalsContact CZ-NE2 3.25Å; F180-Q184 WeakPolarHBondContact O-CG 3.47Å; F180-Q184 PolarHBondContact O-N 3.5Å; Q184-I187 VanDerWaalsContact O-CG2 3.32Å; Q184-I187 WeakPolarHBondContact O-CG2 3.18Å; Q184-T188 VanDerWaalsContact O-CB 3.24Å; Q184-T188 WeakPolarHBondContact O-CB 3.3Å; Q184-T188 PolarHBondContact O-N 3.32Å; Q184-T188 PolarHBondContact O-OG1 3.04Å; Q184-F203 HydrophobicContact CB-CE2 4.22Å; Q184-F203 HydrophobicContact CB-CZ 4.27Å; Q184-T206 PolarHBondContact NE2-OG1 3.41Å; Q184-Y222 PolarHBondContact OE1-OH 2.91Å
185	V	98.8	Very high	98.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-68.7	-36.8	178.6	172.4	0	0	0	0	112	A181 A183 T188 N189 V226 K229 L230	A181-V185 WeakPolarHBondContact O-CB 3.41Å; A181-V185 WeakPolarHBondContact O-CG2 3.41Å; A181-V185 PolarHBondContact O-N 2.86Å; A183-V185 PolarHBondContact O-N 3.49Å; V185-T188 PolarHBondContact O-N 2.98Å; V185-N189 WeakPolarHBondContact O-CB 3.24Å; V185-N189 VanDerWaalsContact O-CG 3.3Å; V185-N189 PolarHBondContact O-N 2.95Å; V185-V226 HydrophobicContact CG2-CG2 4.22Å; V185-K229 HydrophobicContact CB-CB 4.44Å; V185-K229 HydrophobicContact CG1-CB 3.62Å; V185-K229 WeakPolarHBondContact CG1-O 3.19Å; V185-L230 HydrophobicContact CG1-CB 4.21Å; V185-L230 HydrophobicContact CG1-CD1 4.3Å; V185-L230 HydrophobicContact CG2-CB 4.3Å; V185-L230 HydrophobicContact CG2-CD1 4.36Å
186	S	98.6	Very high	98.2	Very high	54 Å²	54	38.4 Å²	38.4	38%	0.378	22%	0.221	S	C	.	.	H	α-helix	trans	-60.2	-51.6	178.2	-169.8	0	0	0	0	111.2	H182 A183 T188 E190	H182-S186 WeakPolarHBondContact O-CB 3.28Å; H182-S186 PolarHBondContact O-N 3.35Å; A183-S186 PolarHBondContact O-N 2.7Å; S186-T188 VanDerWaalsContact C-N 3.35Å; S186-T188 PolarHBondContact O-N 3.07Å; S186-E190 WeakPolarHBondContact O-CB 3.48Å; S186-E190 PolarHBondContact O-N 2.82Å
187	I	98.5	Very high	98.2	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-37.4	177.6	-165.8	171.8	0	0	0	111.7	I132 F134 V140 L143 F162 A183 Q184 E190 I191	I132-I187 HydrophobicContact CD1-CD1 3.52Å; F134-I187 HydrophobicContact CD1-CG2 3.81Å; F134-I187 HydrophobicContact CE1-CG2 3.99Å; V140-I187 HydrophobicContact CG1-CG1 4.48Å; V140-I187 HydrophobicContact CG2-CD1 3.98Å; V140-I187 HydrophobicContact CG2-CG1 4.3Å; L143-I187 HydrophobicContact CD2-CD1 3.66Å; L143-I187 HydrophobicContact CD2-CG1 4.08Å; F162-I187 HydrophobicContact CZ-CG2 4.16Å; A183-I187 PolarHBondContact O-N 3.27Å; Q184-I187 VanDerWaalsContact O-CG2 3.32Å; Q184-I187 WeakPolarHBondContact O-CG2 3.18Å; I187-E190 PolarHBondContact O-N 2.94Å; I187-I191 HydrophobicContact CG1-CG1 4.15Å; I187-I191 WeakPolarHBondContact O-CB 3.11Å; I187-I191 VanDerWaalsContact O-CG1 3.24Å; I187-I191 WeakPolarHBondContact O-CG1 3.48Å; I187-I191 PolarHBondContact O-N 3.38Å
188	T	98.8	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-46.1	179.8	-59.1	0	0	0	0	112.1	L160 Q184 V185 S186 I191 Y192 F201 F203 L230 I234	L160-T188 HydrophobicContact CD1-CG2 4.15Å; Q184-T188 VanDerWaalsContact O-CB 3.24Å; Q184-T188 WeakPolarHBondContact O-CB 3.3Å; Q184-T188 PolarHBondContact O-N 3.32Å; Q184-T188 PolarHBondContact O-OG1 3.04Å; V185-T188 PolarHBondContact O-N 2.98Å; S186-T188 VanDerWaalsContact C-N 3.35Å; S186-T188 PolarHBondContact O-N 3.07Å; T188-I191 PolarHBondContact O-N 2.91Å; T188-Y192 WeakPolarHBondContact O-CB 3.49Å; T188-Y192 PolarHBondContact O-N 2.9Å; T188-F201 HydrophobicContact CG2-CE1 3.95Å; T188-F203 HydrophobicContact CG2-CB 4.49Å; T188-F203 HydrophobicContact CG2-CD2 3.83Å; T188-L230 HydrophobicContact CG2-CD1 3.61Å; T188-I234 HydrophobicContact CG2-CD1 4.05Å
189	N	98.8	Very high	98.2	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-43.2	174.9	-71.4	-14.2	0	0	0	111.3	V185 I191 Y192 Q193 K229 L231	V185-N189 WeakPolarHBondContact O-CB 3.24Å; V185-N189 VanDerWaalsContact O-CG 3.3Å; V185-N189 PolarHBondContact O-N 2.95Å; N189-I191 VanDerWaalsContact C-N 3.34Å; N189-I191 PolarHBondContact O-N 3.06Å; N189-Y192 PolarHBondContact O-N 2.89Å; N189-Q193 WeakPolarHBondContact O-CG 3.41Å; N189-Q193 PolarHBondContact O-N 3.49Å; N189-K229 PolarHBondContact ND2-O 3.44Å; N189-L231 HydrophobicContact CB-CD1 3.91Å; N189-L231 HydrophobicContact CB-CG 4.26Å; N189-L231 WeakPolarHBondContact OD1-CG 3.32Å; N189-L231 PolarHBondContact OD1-N 3.37Å
190	E	98.7	Very high	98.2	Very high	64 Å²	64	38.3 Å²	38.3	30%	0.299	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-39.7	179.4	-166.8	-170.6	149.7	0	0	112.2	Q137 V140 K144 S186 I187 Y194	Q137-E190 PolarHBondContact NE2-OE1 2.82Å; V140-E190 WeakPolarHBondContact CG1-OE1 3.42Å; K144-E190 WeakPolarHBondContact CE-OE1 3.36Å; K144-E190 IonicContact NZ-OE1 2.75Å; K144-E190 PolarHBondContact NZ-OE1 3.36Å; S186-E190 WeakPolarHBondContact O-CB 3.48Å; S186-E190 PolarHBondContact O-N 2.82Å; I187-E190 PolarHBondContact O-N 2.94Å; E190-Y194 WeakPolarHBondContact O-CB 3.24Å; E190-Y194 PolarHBondContact O-N 2.86Å
191	I	98.8	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-44.5	176.2	-68.1	-64.5	0	0	0	111.4	L143 K144 L147 L160 I187 T188 N189 Q193 Y194 L195 F201	L143-I191 HydrophobicContact CB-CD1 4.24Å; L143-I191 HydrophobicContact CD2-CD1 3.87Å; L143-I191 HydrophobicContact CD2-CG1 3.77Å; L143-I191 HydrophobicContact CG-CD1 3.82Å; L143-I191 HydrophobicContact CG-CG1 4.21Å; K144-I191 HydrophobicContact CD-CD1 4.42Å; K144-I191 HydrophobicContact CG-CD1 3.48Å; K144-I191 VanDerWaalsContact CG-CD1 3.48Å; L147-I191 HydrophobicContact CD1-CD1 4.42Å; L147-I191 HydrophobicContact CD1-CG2 3.45Å; L147-I191 VanDerWaalsContact CD1-CG2 3.45Å; L160-I191 HydrophobicContact CD1-CB 4.35Å; L160-I191 HydrophobicContact CD1-CG1 4.47Å; L160-I191 HydrophobicContact CD1-CG2 4.42Å; I187-I191 HydrophobicContact CG1-CG1 4.15Å; I187-I191 WeakPolarHBondContact O-CB 3.11Å; I187-I191 VanDerWaalsContact O-CG1 3.24Å; I187-I191 WeakPolarHBondContact O-CG1 3.48Å; I187-I191 PolarHBondContact O-N 3.38Å; T188-I191 PolarHBondContact O-N 2.91Å; N189-I191 VanDerWaalsContact C-N 3.34Å; N189-I191 PolarHBondContact O-N 3.06Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 PolarHBondContact O-N 3.04Å; I191-Y194 PolarHBondContact O-N 2.65Å; I191-L195 HydrophobicContact CG2-CD1 3.89Å; I191-L195 WeakPolarHBondContact O-CG 3.45Å; I191-L195 PolarHBondContact O-N 3.46Å; I191-F201 HydrophobicContact CG2-CE2 4.1Å; I191-F201 HydrophobicContact CG2-CZ 3.92Å
192	Y	98.8	Very high	98.3	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-57.3	-46.3	176.9	179.5	-109.3	0	0	0	112	T188 N189 E197 P198 F201 L231 S233 I234	T188-Y192 WeakPolarHBondContact O-CB 3.49Å; T188-Y192 PolarHBondContact O-N 2.9Å; N189-Y192 PolarHBondContact O-N 2.89Å; Y192-E197 HydrophobicContact CD1-CB 4.27Å; Y192-E197 HydrophobicContact CD1-CG 3.92Å; Y192-E197 HydrophobicContact CE1-CB 3.57Å; Y192-E197 HydrophobicContact CE1-CG 3.58Å; Y192-E197 HydrophobicContact CE2-CB 4.48Å; Y192-E197 WeakPolarHBondContact O-CA 3.23Å; Y192-E197 PolarHBondContact O-N 3.11Å; Y192-P198 HydrophobicContact CD2-CG 4.12Å; Y192-P198 HydrophobicContact CE2-CG 4.02Å; Y192-P198 WeakPolarHBondContact CE2-O 3.48Å; Y192-P198 PolarHBondContact OH-O 3.2Å; Y192-F201 HydrophobicContact CD2-CB 3.48Å; Y192-F201 VanDerWaalsContact CD2-CB 3.48Å; Y192-F201 HydrophobicContact CD2-CD1 4.28Å; Y192-F201 AromaticContact CD2-CD2 3.71Å; Y192-F201 HydrophobicContact CD2-CD2 3.71Å; Y192-F201 HydrophobicContact CD2-CE2 4.49Å; Y192-F201 AromaticContact CD2-CG 3.57Å; Y192-F201 HydrophobicContact CD2-CG 3.57Å; Y192-F201 HydrophobicContact CE2-CB 3.6Å; Y192-F201 HydrophobicContact CE2-CG 4.22Å; Y192-L231 HydrophobicContact CD1-CD1 3.8Å; Y192-L231 HydrophobicContact CE1-CD1 4.47Å; Y192-S233 WeakPolarHBondContact OH-CB 3.27Å; Y192-I234 HydrophobicContact CD1-CD1 4.01Å; Y192-I234 HydrophobicContact CD1-CG1 4.01Å; Y192-I234 HydrophobicContact CD2-CD1 4.18Å; Y192-I234 HydrophobicContact CD2-CG1 3.85Å; Y192-I234 HydrophobicContact CE1-CG1 4.29Å; Y192-I234 HydrophobicContact CE2-CG1 4.16Å; Y192-I234 HydrophobicContact CG-CD1 3.68Å; Y192-I234 HydrophobicContact CG-CG1 3.77Å
193	Q	98.7	Very high	98.3	Very high	105 Å²	105	34.7 Å²	34.7	49%	0.491	18%	0.183	S	C	.	.	H	α-helix	trans	-72.1	-35.7	179	-64.4	-165.4	-53.1	0	0	112.7	N189 I191 L195 G196 E197 L231	N189-Q193 WeakPolarHBondContact O-CG 3.41Å; N189-Q193 PolarHBondContact O-N 3.49Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 PolarHBondContact O-N 3.04Å; Q193-L195 VanDerWaalsContact C-N 3.33Å; Q193-L195 PolarHBondContact O-N 2.82Å; Q193-G196 PolarHBondContact O-N 3.25Å; Q193-G196 VanDerWaalsContact O-N 3.14Å; Q193-E197 HydrophobicContact CG-CG 4.25Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.36Å; Q193-E197 PolarHBondContact NE2-OE1 3.31Å; Q193-L231 HydrophobicContact CG-CD1 3.75Å
194	Y	98.6	Very high	98.4	Very high	106 Å²	106	34.9 Å²	34.9	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-39.4	174.9	175	-100	0	0	0	112.6	K144 D148 E190 I191 G196	K144-Y194 HydrophobicContact CB-CD1 4.05Å; K144-Y194 HydrophobicContact CB-CE1 3.6Å; K144-Y194 HydrophobicContact CD-CD1 3.83Å; K144-Y194 HydrophobicContact CD-CD2 3.73Å; K144-Y194 HydrophobicContact CD-CE1 3.98Å; K144-Y194 HydrophobicContact CD-CE2 3.87Å; K144-Y194 HydrophobicContact CD-CG 3.69Å; K144-Y194 HydrophobicContact CG-CD1 3.57Å; K144-Y194 HydrophobicContact CG-CD2 4.41Å; K144-Y194 HydrophobicContact CG-CE1 3.66Å; K144-Y194 HydrophobicContact CG-CE2 4.47Å; K144-Y194 HydrophobicContact CG-CG 3.96Å; D148-Y194 VanDerWaalsContact OD1-CE1 3.29Å; D148-Y194 WeakPolarHBondContact OD1-CE1 3.22Å; D148-Y194 PolarHBondContact OD1-OH 2.76Å; D148-Y194 PolarHBondContact OD2-OH 3.41Å; E190-Y194 WeakPolarHBondContact O-CB 3.24Å; E190-Y194 PolarHBondContact O-N 2.86Å; I191-Y194 PolarHBondContact O-N 2.65Å; Y194-G196 PolarHBondContact O-N 2.96Å
195	L	98.2	Very high	98.4	Very high	34 Å²	34	34.9 Å²	34.9	18%	0.178	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	6.3	176.3	-65.8	169.8	0	0	0	113.7	L147 F158 I191 Q193 P198 F201	L147-L195 HydrophobicContact CB-CD1 4.3Å; L147-L195 HydrophobicContact CB-CD2 4.24Å; L147-L195 HydrophobicContact CD1-CD1 4.23Å; F158-L195 HydrophobicContact CD2-CD1 3.86Å; F158-L195 HydrophobicContact CE2-CD1 4.23Å; F158-L195 HydrophobicContact CG-CD1 4.12Å; I191-L195 HydrophobicContact CG2-CD1 3.89Å; I191-L195 WeakPolarHBondContact O-CG 3.45Å; I191-L195 PolarHBondContact O-N 3.46Å; Q193-L195 VanDerWaalsContact C-N 3.33Å; Q193-L195 PolarHBondContact O-N 2.82Å; L195-P198 HydrophobicContact CB-CG 4.45Å; L195-F201 HydrophobicContact CD1-CE2 4.07Å
196	G	97.9	Very high	98.3	Very high	60 Å²	60	35 Å²	35	62%	0.619	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	28.8	175.6	0	0	0	0	0	114.9	Q193 Y194	Q193-G196 PolarHBondContact O-N 3.25Å; Q193-G196 VanDerWaalsContact O-N 3.14Å; Y194-G196 PolarHBondContact O-N 2.96Å
197	E	98	Very high	98.3	Very high	98 Å²	98	32.9 Å²	32.9	46%	0.458	17%	0.17	S	C	.	.			trans	54.8	61	179.1	-57.2	-166.7	161	0	0	113	Y192 Q193	Y192-E197 HydrophobicContact CD1-CB 4.27Å; Y192-E197 HydrophobicContact CD1-CG 3.92Å; Y192-E197 HydrophobicContact CE1-CB 3.57Å; Y192-E197 HydrophobicContact CE1-CG 3.58Å; Y192-E197 HydrophobicContact CE2-CB 4.48Å; Y192-E197 WeakPolarHBondContact O-CA 3.23Å; Y192-E197 PolarHBondContact O-N 3.11Å; Q193-E197 HydrophobicContact CG-CG 4.25Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.36Å; Q193-E197 PolarHBondContact NE2-OE1 3.31Å
198	P	97.3	Very high	98.3	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.104	17%	0.171	C	C	.	.			trans	-59.3	153.8	-176.3	24	-34.7	0	0	0	113.7	K156 F158 Y192 L195 T200 F201	K156-P198 VanDerWaalsContact O-CB 3.29Å; K156-P198 WeakPolarHBondContact O-CB 3.39Å; F158-P198 HydrophobicContact CD2-CG 4.46Å; Y192-P198 HydrophobicContact CD2-CG 4.12Å; Y192-P198 HydrophobicContact CE2-CG 4.02Å; Y192-P198 WeakPolarHBondContact CE2-O 3.48Å; Y192-P198 PolarHBondContact OH-O 3.2Å; L195-P198 HydrophobicContact CB-CG 4.45Å; P198-T200 VanDerWaalsContact C-N 3.27Å; P198-T200 PolarHBondContact O-N 3.25Å; P198-F201 HydrophobicContact CG-CB 4.41Å; P198-F201 HydrophobicContact CG-CD2 3.93Å
199	E	95.4	Very high	98.3	Very high	148 Å²	148	33.4 Å²	33.4	69%	0.692	17%	0.171	S	C	*	.	S	Bend	trans	-60.9	-33.1	-173.6	-165.7	-164.4	137	0	0	113.6	K48	K48-E199 WeakPolarHBondContact CD-OE1 3.17Å; K48-E199 WeakPolarHBondContact CE-OE1 3.33Å; K48-E199 IonicContact NZ-OE1 3.46Å; K48-E199 PolarHBondContact NZ-OE1 3.21Å
200	T	98.1	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-128.6	113.8	176.1	-50.4	0	0	0	0	108.8	K48 I50 E121 I123 S157 F158 P198 L202	K48-T200 PolarHBondContact NZ-OG1 2.95Å; K48-T200 VanDerWaalsContact NZ-OG1 3.08Å; I50-T200 HydrophobicContact CD1-CG2 3.91Å; E121-T200 WeakPolarHBondContact OE1-CB 3.29Å; E121-T200 PolarHBondContact OE1-OG1 3.46Å; I123-T200 HydrophobicContact CD1-CG2 3.74Å; S157-T200 WeakPolarHBondContact CA-O 3.29Å; F158-T200 PolarHBondContact N-O 2.91Å; P198-T200 VanDerWaalsContact C-N 3.27Å; P198-T200 PolarHBondContact O-N 3.25Å; T200-L202 HydrophobicContact CG2-CD2 4.03Å
201	F	98.8	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.7	170.5	-162.5	-76.1	0	0	0	109.5	F158 L160 T188 I191 Y192 L195 P198 I234 D235	F158-F201 HydrophobicContact CB-CD2 3.8Å; F158-F201 HydrophobicContact CB-CE2 3.71Å; F158-F201 CarbonylContact O-C 3.54Å; F158-F201 VanDerWaalsContact O-CA 3.28Å; F158-F201 WeakPolarHBondContact O-CA 3.37Å; L160-F201 HydrophobicContact CD1-CE1 4.45Å; L160-F201 HydrophobicContact CD1-CZ 4.23Å; L160-F201 HydrophobicContact CG-CE1 4.08Å; L160-F201 HydrophobicContact CG-CZ 3.88Å; T188-F201 HydrophobicContact CG2-CE1 3.95Å; I191-F201 HydrophobicContact CG2-CE2 4.1Å; I191-F201 HydrophobicContact CG2-CZ 3.92Å; Y192-F201 HydrophobicContact CD2-CB 3.48Å; Y192-F201 VanDerWaalsContact CD2-CB 3.48Å; Y192-F201 HydrophobicContact CD2-CD1 4.28Å; Y192-F201 AromaticContact CD2-CD2 3.71Å; Y192-F201 HydrophobicContact CD2-CD2 3.71Å; Y192-F201 HydrophobicContact CD2-CE2 4.49Å; Y192-F201 AromaticContact CD2-CG 3.57Å; Y192-F201 HydrophobicContact CD2-CG 3.57Å; Y192-F201 HydrophobicContact CE2-CB 3.6Å; Y192-F201 HydrophobicContact CE2-CG 4.22Å; L195-F201 HydrophobicContact CD1-CE2 4.07Å; P198-F201 HydrophobicContact CG-CB 4.41Å; P198-F201 HydrophobicContact CG-CD2 3.93Å; F201-I234 HydrophobicContact CD1-CG1 4.42Å; F201-I234 HydrophobicContact CD1-CG2 3.95Å; F201-D235 PolarHBondContact O-N 3Å
202	L	98.9	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.2	-176.2	-45.1	-177.6	0	0	0	111.7	I50 L83 I123 F158 A159 L160 T200 D235 L237 V265 L300	I50-L202 HydrophobicContact CD1-CD2 4.17Å; L83-L202 HydrophobicContact CD1-CD1 4.31Å; L83-L202 HydrophobicContact CD2-CD1 4.12Å; I123-L202 HydrophobicContact CD1-CD1 3.83Å; I123-L202 HydrophobicContact CD1-CG 4.32Å; I123-L202 HydrophobicContact CG2-CD1 4.3Å; I123-L202 HydrophobicContact CG2-CG 4.46Å; F158-L202 PolarHBondContact O-N 2.87Å; A159-L202 VanDerWaalsContact CA-O 3.23Å; A159-L202 WeakPolarHBondContact CA-O 3.46Å; A159-L202 HydrophobicContact CB-CB 3.79Å; A159-L202 HydrophobicContact CB-CG 4.43Å; L160-L202 PolarHBondContact N-O 2.9Å; T200-L202 HydrophobicContact CG2-CD2 4.03Å; L202-D235 CarbonylContact C-O 3.57Å; L202-D235 WeakPolarHBondContact CA-O 3.33Å; L202-D235 HydrophobicContact CD2-CB 3.82Å; L202-L237 HydrophobicContact CB-CD1 4.01Å; L202-L237 HydrophobicContact CB-CG 4.34Å; L202-L237 HydrophobicContact CD1-CD1 4.28Å; L202-L237 HydrophobicContact CD1-CD2 4.31Å; L202-L237 HydrophobicContact CD1-CG 4.49Å; L202-V265 HydrophobicContact CD2-CG2 4.47Å; L202-L300 HydrophobicContact CD1-CD1 4.34Å
203	F	98.9	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.8	171.3	174.2	-99.6	0	0	0	109.5	F162 Q184 T188 P205 V226 L230 I234 D235 V236 L237	F162-F203 HydrophobicContact CD2-CD2 4.09Å; F162-F203 AromaticContact CD2-CE2 3.48Å; F162-F203 HydrophobicContact CD2-CE2 3.48Å; F162-F203 VanDerWaalsContact CD2-CE2 3.48Å; F162-F203 HydrophobicContact CD2-CZ 4.21Å; F162-F203 HydrophobicContact CE2-CD2 4.17Å; F162-F203 AromaticContact CE2-CE2 3.7Å; F162-F203 HydrophobicContact CE2-CE2 3.7Å; Q184-F203 HydrophobicContact CB-CE2 4.22Å; Q184-F203 HydrophobicContact CB-CZ 4.27Å; T188-F203 HydrophobicContact CG2-CB 4.49Å; T188-F203 HydrophobicContact CG2-CD2 3.83Å; F203-P205 HydrophobicContact CD1-CB 4.47Å; F203-P205 HydrophobicContact CE1-CB 3.85Å; F203-P205 WeakPolarHBondContact O-CD 3.28Å; F203-V226 HydrophobicContact CD1-CG1 4.18Å; F203-V226 HydrophobicContact CE1-CG1 3.86Å; F203-V226 HydrophobicContact CE1-CG2 4.01Å; F203-V226 HydrophobicContact CZ-CG2 4.42Å; F203-L230 HydrophobicContact CB-CD2 3.97Å; F203-L230 HydrophobicContact CD1-CD2 3.98Å; F203-L230 HydrophobicContact CD2-CD1 4.47Å; F203-L230 HydrophobicContact CG-CD1 4.39Å; F203-L230 HydrophobicContact CG-CD2 4.06Å; F203-I234 HydrophobicContact CB-CG2 3.97Å; F203-D235 PolarHBondContact N-O 2.87Å; F203-V236 HydrophobicContact CD1-CG2 4.24Å; F203-V236 WeakPolarHBondContact O-CA 3.29Å; F203-L237 PolarHBondContact O-N 3.33Å
204	C	98.8	Very high	97.7	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.034	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114	167.9	-161	0	0	0	0	109.9	L160 L161 F162 L237	L160-C204 PolarHBondContact O-N 3.46Å; L161-C204 HydrophobicContact CB-CB 4.25Å; L161-C204 HydrophobicContact CD2-CB 3.46Å; L161-C204 VanDerWaalsContact CD2-CB 3.46Å; L161-C204 HydrophobicContact CG-CB 4.44Å; F162-C204 PolarHBondContact N-O 3.17Å; C204-L237 HydrophobicContact CB-CB 4.17Å; C204-L237 HydrophobicContact CB-CD1 3.87Å
205	P	98.6	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.			trans	-68.8	164.7	176.6	26.1	-30.6	0	0	0	112.2	F203 E207 Y208 Y222 L223 V236 L237	F203-P205 HydrophobicContact CD1-CB 4.47Å; F203-P205 HydrophobicContact CE1-CB 3.85Å; F203-P205 WeakPolarHBondContact O-CD 3.28Å; P205-E207 WeakPolarHBondContact CG-O 3.41Å; P205-Y208 WeakPolarHBondContact O-CB 3.29Å; P205-Y222 VanDerWaalsContact CA-OH 3.28Å; P205-Y222 WeakPolarHBondContact CA-OH 3.43Å; P205-Y222 HydrophobicContact CB-CE1 3.66Å; P205-Y222 WeakPolarHBondContact CB-OH 3.47Å; P205-L223 HydrophobicContact CB-CD2 4.5Å; P205-V236 HydrophobicContact CG-CG1 4.22Å; P205-L237 VanDerWaalsContact CD-O 3.3Å; P205-L237 WeakPolarHBondContact CD-O 3.43Å
206	T	98.4	Very high	97.5	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.031	22%	0.224	C	C	.	.	S	Bend	trans	-74.8	-39.8	168.1	-48.4	0	0	0	0	111	F162 I165 F180 Q184 Y208 Y222	F162-T206 WeakPolarHBondContact O-CA 3.42Å; F162-T206 WeakPolarHBondContact O-CB 3.27Å; F162-T206 PolarHBondContact O-N 2.99Å; F162-T206 PolarHBondContact O-OG1 3.43Å; I165-T206 HydrophobicContact CG1-CG2 3.89Å; I165-T206 WeakPolarHBondContact O-CG2 3.38Å; F180-T206 HydrophobicContact CE1-CG2 4.33Å; Q184-T206 PolarHBondContact NE2-OG1 3.41Å; T206-Y208 WeakPolarHBondContact O-CD1 3.34Å; T206-Y208 PolarHBondContact O-N 3.46Å; T206-Y208 VanDerWaalsContact O-N 3.16Å; T206-Y222 PolarHBondContact N-OH 2.89Å
207	E	98.3	Very high	97.5	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-82.7	77.7	165.5	-58.5	-173	169.9	0	0	109.7	P205 Y214 S220 Y222 L223 W238	P205-E207 WeakPolarHBondContact CG-O 3.41Å; E207-Y214 PolarHBondContact OE1-N 3.46Å; E207-S220 VanDerWaalsContact OE2-CB 3.27Å; E207-S220 WeakPolarHBondContact OE2-CB 3.16Å; E207-S220 PolarHBondContact OE2-OG 3.13Å; E207-Y222 HydrophobicContact CB-CD1 3.72Å; E207-Y222 HydrophobicContact CB-CE1 3.96Å; E207-Y222 HydrophobicContact CG-CD1 3.61Å; E207-Y222 HydrophobicContact CG-CE1 4.17Å; E207-Y222 HydrophobicContact CG-CG 3.99Å; E207-L223 HydrophobicContact CB-CD2 4.35Å; E207-L223 HydrophobicContact CB-CG 4.45Å; E207-W238 WeakPolarHBondContact O-CZ3 3.37Å
208	Y	98.2	Very high	97.4	Very high	15 Å²	15	36.9 Å²	36.9	6%	0.059	20%	0.198	C	C	.	.			trans	-97.7	3.1	-175.6	63.1	-103.4	0	0	0	115.8	D163 D164 P205 T206 F212 W238 T239 V243	D163-Y208 HydrophobicContact CB-CD1 4.07Å; D163-Y208 HydrophobicContact CB-CE1 3.97Å; D164-Y208 WeakPolarHBondContact OD1-CE1 3.29Å; D164-Y208 PolarHBondContact OD1-OH 3.2Å; P205-Y208 WeakPolarHBondContact O-CB 3.29Å; T206-Y208 WeakPolarHBondContact O-CD1 3.34Å; T206-Y208 PolarHBondContact O-N 3.46Å; T206-Y208 VanDerWaalsContact O-N 3.16Å; Y208-F212 HydrophobicContact CD1-CD2 4.27Å; Y208-F212 HydrophobicContact CD1-CE2 4.4Å; Y208-F212 AromaticContact CE1-CD2 3.95Å; Y208-F212 HydrophobicContact CE1-CD2 3.95Å; Y208-F212 AromaticContact CE1-CE2 3.63Å; Y208-F212 HydrophobicContact CE1-CE2 3.63Å; Y208-F212 HydrophobicContact CE2-CD2 4.48Å; Y208-F212 HydrophobicContact CE2-CE2 4.14Å; Y208-F212 AromaticContact CZ-CE2 3.48Å; Y208-F212 VanDerWaalsContact CZ-CE2 3.48Å; Y208-F212 WeakPolarHBondContact OH-CE2 3.47Å; Y208-W238 VanDerWaalsContact C-CE3 3.48Å; Y208-T239 HydrophobicContact CD2-CG2 3.62Å; Y208-T239 HydrophobicContact CE2-CG2 4.07Å; Y208-T239 PolarHBondContact O-N 3.27Å; Y208-T239 PolarHBondContact O-OG1 2.81Å; Y208-V243 HydrophobicContact CE2-CB 4.44Å; Y208-V243 HydrophobicContact CE2-CG1 4.18Å; Y208-V243 HydrophobicContact CE2-CG2 3.96Å
209	C	98.1	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-144.3	161	175.5	76.9	0	0	0	0	111.7	T211 F212 C213 T239 G240	C209-T211 VanDerWaalsContact C-N 3.32Å; C209-T211 PolarHBondContact O-N 3.47Å; C209-T211 PolarHBondContact SG-OG1 3.19Å; C209-F212 PolarHBondContact O-N 3.1Å; C209-F212 WeakPolarHBondContact SG-CD1 3.28Å; C209-F212 WeakPolarHBondContact SG-CG 3.45Å; C209-F212 PolarHBondContact SG-N 3.42Å; C209-C213 PolarHBondContact O-N 2.75Å; C209-C213 PolarHBondContact O-SG 2.92Å; C209-T239 WeakPolarHBondContact CB-OG1 3.4Å; C209-G240 WeakPolarHBondContact CA-O 3.3Å
210	G	97.3	Very high	97.6	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.4	-43.4	-179.2	0	0	0	0	0	113.5	F212 C213 G240 P241	G210-F212 VanDerWaalsContact C-N 3.26Å; G210-F212 PolarHBondContact O-N 3.16Å; G210-C213 PolarHBondContact O-N 3.46Å; G210-G240 PolarHBondContact N-O 3.2Å; G210-P241 CarbonylContact C-O 3.59Å; G210-P241 VanDerWaalsContact CA-O 3.26Å; G210-P241 WeakPolarHBondContact CA-O 3.32Å; G210-P241 PolarHBondContact N-O 2.89Å; G210-P241 VanDerWaalsContact N-O 3.15Å
211	T	96.1	Very high	97.6	Very high	83 Å²	83	38.2 Å²	38.2	51%	0.509	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-69.5	-14.5	177.4	45.9	0	0	0	0	115	C209 P241 K242	C209-T211 VanDerWaalsContact C-N 3.32Å; C209-T211 PolarHBondContact O-N 3.47Å; C209-T211 PolarHBondContact SG-OG1 3.19Å; T211-P241 PolarHBondContact N-O 3.01Å; T211-K242 HydrophobicContact CG2-CG 4.23Å
212	F	96.4	Very high	97.6	Very high	87 Å²	87	38.8 Å²	38.8	38%	0.382	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-94.1	-11.7	177	-75.9	15.2	0	0	0	112.7	Y208 C209 G210 Y214 V243	Y208-F212 HydrophobicContact CD1-CD2 4.27Å; Y208-F212 HydrophobicContact CD1-CE2 4.4Å; Y208-F212 AromaticContact CE1-CD2 3.95Å; Y208-F212 HydrophobicContact CE1-CD2 3.95Å; Y208-F212 AromaticContact CE1-CE2 3.63Å; Y208-F212 HydrophobicContact CE1-CE2 3.63Å; Y208-F212 HydrophobicContact CE2-CD2 4.48Å; Y208-F212 HydrophobicContact CE2-CE2 4.14Å; Y208-F212 AromaticContact CZ-CE2 3.48Å; Y208-F212 VanDerWaalsContact CZ-CE2 3.48Å; Y208-F212 WeakPolarHBondContact OH-CE2 3.47Å; C209-F212 PolarHBondContact O-N 3.1Å; C209-F212 WeakPolarHBondContact SG-CD1 3.28Å; C209-F212 WeakPolarHBondContact SG-CG 3.45Å; C209-F212 PolarHBondContact SG-N 3.42Å; G210-F212 VanDerWaalsContact C-N 3.26Å; G210-F212 PolarHBondContact O-N 3.16Å; F212-Y214 PolarHBondContact O-N 2.69Å; F212-V243 HydrophobicContact CE1-CG2 3.79Å; F212-V243 HydrophobicContact CE2-CG2 4.22Å; F212-V243 HydrophobicContact CZ-CG2 3.56Å
213	C	97.1	Very high	97.6	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.061	21%	0.211	C	C	.	.	S	Bend	trans	-79.6	118	-176.3	-66.7	0	0	0	0	112.5	C209 G210 P215 S216 V217 L223	C209-C213 PolarHBondContact O-N 2.75Å; C209-C213 PolarHBondContact O-SG 2.92Å; G210-C213 PolarHBondContact O-N 3.46Å; C213-P215 CarbonylContact O-C 3.49Å; C213-P215 VanDerWaalsContact O-C 3.25Å; C213-S216 WeakPolarHBondContact O-CA 3.37Å; C213-S216 PolarHBondContact O-N 3.29Å; C213-S216 VanDerWaalsContact O-N 3.11Å; C213-V217 HydrophobicContact CB-CG2 4.05Å; C213-L223 WeakPolarHBondContact SG-CD1 3.4Å
214	Y	93.9	Very high	97.6	Very high	181 Å²	181	43.6 Å²	43.6	71%	0.71	23%	0.229	S	C	*	.	S	Bend	trans	-101.3	124.9	-178.2	-176.3	-97.5	0	0	0	113.1	E207 F212 S220 P221	E207-Y214 PolarHBondContact OE1-N 3.46Å; F212-Y214 PolarHBondContact O-N 2.69Å; Y214-S220 WeakPolarHBondContact O-CA 3.4Å; Y214-P221 VanDerWaalsContact O-CD 3.22Å; Y214-P221 WeakPolarHBondContact O-CD 3.33Å
215	P	95.9	Very high	97.5	Very high	79 Å²	79	44.1 Å²	44.1	51%	0.513	23%	0.232	S	C	.	.	S	Bend	cis	-86	-9.5	-2.8	36.1	-36.6	0	0	0	113.9	C213 Q219	C213-P215 CarbonylContact O-C 3.49Å; C213-P215 VanDerWaalsContact O-C 3.25Å; P215-Q219 HydrophobicContact CG-CB 4.06Å
216	S	96.8	Very high	97.6	Very high	41 Å²	41	44.1 Å²	44.1	29%	0.287	23%	0.232	S	C	.	.			trans	-165.5	166.8	173.5	55.8	0	0	0	0	109.7	C213 S218 Q219 S220	C213-S216 WeakPolarHBondContact O-CA 3.37Å; C213-S216 PolarHBondContact O-N 3.29Å; C213-S216 VanDerWaalsContact O-N 3.11Å; S216-S218 PolarHBondContact O-N 2.69Å; S216-Q219 PolarHBondContact O-N 2.62Å; S216-S220 WeakPolarHBondContact O-CB 3.31Å; S216-S220 PolarHBondContact O-N 3.48Å
217	V	97.7	Very high	97.6	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.5	-58.8	-179.9	179.8	0	0	0	0	111.9	C213 Q219 S220 L223 W238 E255 V256 I259	C213-V217 HydrophobicContact CB-CG2 4.05Å; V217-Q219 PolarHBondContact O-N 3Å; V217-S220 PolarHBondContact O-N 2.62Å; V217-L223 HydrophobicContact CG1-CD1 4.3Å; V217-W238 HydrophobicContact CG2-CH2 4.08Å; V217-W238 HydrophobicContact CG2-CZ2 4.22Å; V217-E255 HydrophobicContact CB-CG 4.38Å; V217-E255 HydrophobicContact CG1-CG 4.1Å; V217-V256 HydrophobicContact CG1-CB 3.88Å; V217-V256 HydrophobicContact CG1-CG2 3.9Å; V217-I259 HydrophobicContact CG1-CG2 4.2Å; V217-I259 WeakPolarHBondContact O-CD1 3.44Å
218	S	96.9	Very high	97.6	Very high	64 Å²	64	48.3 Å²	48.3	45%	0.448	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.8	-16.4	-179.2	45.8	0	0	0	0	115.6	S216 E255	S216-S218 PolarHBondContact O-N 2.69Å; S218-E255 WeakPolarHBondContact CA-OE1 3.47Å; S218-E255 WeakPolarHBondContact CB-OE1 3.18Å; S218-E255 PolarHBondContact N-OE1 3.37Å; S218-E255 PolarHBondContact OG-OE1 3.27Å
219	Q	97.6	Very high	97.6	Very high	122 Å²	122	52.8 Å²	52.8	57%	0.57	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-109	-11	-177.8	-59.7	-165.6	19.4	0	0	114.7	P215 S216 V217 R224	P215-Q219 HydrophobicContact CG-CB 4.06Å; S216-Q219 PolarHBondContact O-N 2.62Å; V217-Q219 PolarHBondContact O-N 3Å; Q219-R224 VanDerWaalsContact C-NH2 3.33Å; Q219-R224 PolarHBondContact O-NH2 3.02Å
220	S	98.3	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.			trans	-53.7	125.4	-176.2	165.5	0	0	0	0	112.8	E207 Y214 S216 V217 Y222 L223 R224	E207-S220 VanDerWaalsContact OE2-CB 3.27Å; E207-S220 WeakPolarHBondContact OE2-CB 3.16Å; E207-S220 PolarHBondContact OE2-OG 3.13Å; Y214-S220 WeakPolarHBondContact O-CA 3.4Å; S216-S220 WeakPolarHBondContact O-CB 3.31Å; S216-S220 PolarHBondContact O-N 3.48Å; V217-S220 PolarHBondContact O-N 2.62Å; S220-Y222 VanDerWaalsContact C-N 3.28Å; S220-Y222 PolarHBondContact OG-N 3.07Å; S220-Y222 VanDerWaalsContact OG-N 3.14Å; S220-L223 PolarHBondContact OG-N 2.8Å; S220-R224 WeakPolarHBondContact O-CB 3.5Å; S220-R224 PolarHBondContact O-N 3.42Å; S220-R224 VanDerWaalsContact O-N 3.08Å
221	P	98.3	Very high	97.7	Very high	70 Å²	70	54.2 Å²	54.2	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-73	-24.7	172.7	32	-33.1	0	0	0	111.7	Y214 T225	Y214-P221 VanDerWaalsContact O-CD 3.22Å; Y214-P221 WeakPolarHBondContact O-CD 3.33Å; P221-T225 WeakPolarHBondContact O-CB 3.17Å; P221-T225 PolarHBondContact O-N 3.07Å; P221-T225 VanDerWaalsContact O-N 3.16Å; P221-T225 PolarHBondContact O-OG1 3.47Å
222	Y	98.6	Very high	97.7	Very high	13 Å²	13	55.3 Å²	55.3	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-58.3	175.2	172.7	-82.4	0	0	0	109.9	A181 Q184 P205 T206 E207 S220 R224 T225 V226	A181-Y222 HydrophobicContact CB-CD2 3.61Å; A181-Y222 HydrophobicContact CB-CE2 3.88Å; A181-Y222 HydrophobicContact CB-CG 4.16Å; Q184-Y222 PolarHBondContact OE1-OH 2.91Å; P205-Y222 VanDerWaalsContact CA-OH 3.28Å; P205-Y222 WeakPolarHBondContact CA-OH 3.43Å; P205-Y222 HydrophobicContact CB-CE1 3.66Å; P205-Y222 WeakPolarHBondContact CB-OH 3.47Å; T206-Y222 PolarHBondContact N-OH 2.89Å; E207-Y222 HydrophobicContact CB-CD1 3.72Å; E207-Y222 HydrophobicContact CB-CE1 3.96Å; E207-Y222 HydrophobicContact CG-CD1 3.61Å; E207-Y222 HydrophobicContact CG-CE1 4.17Å; E207-Y222 HydrophobicContact CG-CG 3.99Å; S220-Y222 VanDerWaalsContact C-N 3.28Å; S220-Y222 PolarHBondContact OG-N 3.07Å; S220-Y222 VanDerWaalsContact OG-N 3.14Å; Y222-R224 VanDerWaalsContact C-N 3.32Å; Y222-R224 PolarHBondContact O-N 2.75Å; Y222-T225 WeakPolarHBondContact O-CA 3.34Å; Y222-T225 WeakPolarHBondContact O-CB 3.32Å; Y222-T225 PolarHBondContact O-N 2.84Å; Y222-V226 HydrophobicContact CD1-CG2 4.38Å; Y222-V226 HydrophobicContact CE1-CG2 3.9Å; Y222-V226 PolarHBondContact O-N 3.15Å
223	L	98.6	Very high	97.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-34.3	178.6	-70	-171.1	0	0	0	112.8	P205 E207 C213 V217 S220 T225 V226 G227 W238 V256 I259 L260	P205-L223 HydrophobicContact CB-CD2 4.5Å; E207-L223 HydrophobicContact CB-CD2 4.35Å; E207-L223 HydrophobicContact CB-CG 4.45Å; C213-L223 WeakPolarHBondContact SG-CD1 3.4Å; V217-L223 HydrophobicContact CG1-CD1 4.3Å; S220-L223 PolarHBondContact OG-N 2.8Å; L223-T225 VanDerWaalsContact C-N 3.3Å; L223-T225 PolarHBondContact O-N 2.87Å; L223-V226 PolarHBondContact O-N 2.98Å; L223-G227 PolarHBondContact O-N 3.34Å; L223-W238 HydrophobicContact CD1-CH2 4.4Å; L223-W238 HydrophobicContact CD1-CZ3 4.17Å; L223-V256 HydrophobicContact CD1-CG2 4.37Å; L223-I259 HydrophobicContact CB-CD1 3.91Å; L223-I259 HydrophobicContact CB-CG1 4.2Å; L223-I259 HydrophobicContact CB-CG2 4.27Å; L223-I259 HydrophobicContact CD1-CG2 4.23Å; L223-L260 HydrophobicContact CD2-CD2 4.08Å
224	R	98.7	Very high	97.8	Very high	101 Å²	101	54 Å²	54	38%	0.381	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-42.7	171.6	-174.1	-178.4	-56.5	108.1	15.4	111.4	Q219 S220 Y222 E228 I259	Q219-R224 VanDerWaalsContact C-NH2 3.33Å; Q219-R224 PolarHBondContact O-NH2 3.02Å; S220-R224 WeakPolarHBondContact O-CB 3.5Å; S220-R224 PolarHBondContact O-N 3.42Å; S220-R224 VanDerWaalsContact O-N 3.08Å; Y222-R224 VanDerWaalsContact C-N 3.32Å; Y222-R224 PolarHBondContact O-N 2.75Å; R224-E228 VanDerWaalsContact O-CB 3.25Å; R224-E228 WeakPolarHBondContact O-CB 3.43Å; R224-E228 VanDerWaalsContact O-CG 3.31Å; R224-E228 WeakPolarHBondContact O-CG 3.45Å; R224-E228 PolarHBondContact O-N 3.44Å; R224-I259 HydrophobicContact CB-CD1 4.14Å; R224-I259 HydrophobicContact CB-CG1 4.35Å
225	T	98.8	Very high	98.1	Very high	15 Å²	15	46.3 Å²	46.3	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-44.9	176.5	-58	0	0	0	0	110.8	A181 H182 P221 Y222 L223 E228 K229	A181-T225 HydrophobicContact CB-CG2 3.61Å; H182-T225 VanDerWaalsContact CE1-CG2 3.45Å; H182-T225 WeakPolarHBondContact CE1-CG2 3.21Å; P221-T225 WeakPolarHBondContact O-CB 3.17Å; P221-T225 PolarHBondContact O-N 3.07Å; P221-T225 VanDerWaalsContact O-N 3.16Å; P221-T225 PolarHBondContact O-OG1 3.47Å; Y222-T225 WeakPolarHBondContact O-CA 3.34Å; Y222-T225 WeakPolarHBondContact O-CB 3.32Å; Y222-T225 PolarHBondContact O-N 2.84Å; L223-T225 VanDerWaalsContact C-N 3.3Å; L223-T225 PolarHBondContact O-N 2.87Å; T225-E228 PolarHBondContact O-N 2.92Å; T225-K229 HydrophobicContact CG2-CG 4.03Å; T225-K229 VanDerWaalsContact O-CB 3.25Å; T225-K229 WeakPolarHBondContact O-CB 3.23Å; T225-K229 WeakPolarHBondContact O-CG 3.33Å; T225-K229 PolarHBondContact O-N 2.93Å
226	V	98.8	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-51.4	175.9	177	0	0	0	0	110.7	A181 V185 F203 Y222 L223 E228 K229 L230 V236 L260	A181-V226 HydrophobicContact CB-CG2 4.45Å; V185-V226 HydrophobicContact CG2-CG2 4.22Å; F203-V226 HydrophobicContact CD1-CG1 4.18Å; F203-V226 HydrophobicContact CE1-CG1 3.86Å; F203-V226 HydrophobicContact CE1-CG2 4.01Å; F203-V226 HydrophobicContact CZ-CG2 4.42Å; Y222-V226 HydrophobicContact CD1-CG2 4.38Å; Y222-V226 HydrophobicContact CE1-CG2 3.9Å; Y222-V226 PolarHBondContact O-N 3.15Å; L223-V226 PolarHBondContact O-N 2.98Å; V226-E228 VanDerWaalsContact C-N 3.28Å; V226-E228 PolarHBondContact O-N 3.29Å; V226-K229 PolarHBondContact O-N 3.14Å; V226-L230 HydrophobicContact CG1-CB 4.23Å; V226-L230 HydrophobicContact CG1-CD2 3.99Å; V226-L230 WeakPolarHBondContact O-CB 3.25Å; V226-L230 PolarHBondContact O-N 2.94Å; V226-V236 HydrophobicContact CG1-CG2 4.31Å; V226-L260 HydrophobicContact CB-CD2 4.44Å; V226-L260 HydrophobicContact CG1-CD2 4Å
227	G	98.5	Very high	98.3	Very high	7 Å²	7	40.6 Å²	40.6	7%	0.072	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-24.6	178.3	0	0	0	0	0	115	L223 L260 R261	L223-G227 PolarHBondContact O-N 3.34Å; G227-L260 WeakPolarHBondContact CA-O 3.45Å; G227-R261 WeakPolarHBondContact O-CD 3.38Å
228	E	98.5	Very high	98.4	Very high	95 Å²	95	40.2 Å²	40.2	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-89.5	-26.4	178	-80.8	-176.2	174.3	0	0	115.3	R224 T225 V226 R261	R224-E228 VanDerWaalsContact O-CB 3.25Å; R224-E228 WeakPolarHBondContact O-CB 3.43Å; R224-E228 VanDerWaalsContact O-CG 3.31Å; R224-E228 WeakPolarHBondContact O-CG 3.45Å; R224-E228 PolarHBondContact O-N 3.44Å; T225-E228 PolarHBondContact O-N 2.92Å; V226-E228 VanDerWaalsContact C-N 3.28Å; V226-E228 PolarHBondContact O-N 3.29Å; E228-R261 VanDerWaalsContact CG-CZ 3.41Å; E228-R261 IonicContact OE1-CZ 2.71Å; E228-R261 IonicContact OE1-NH2 3.75Å; E228-R261 PolarHBondContact OE1-NH2 3.42Å
229	K	98.7	Very high	98.4	Very high	109 Å²	109	37.4 Å²	37.4	47%	0.474	20%	0.196	S	C	.	.	H	α-helix	trans	-120.8	-27.1	-166.6	-56.8	-61.6	-177.4	-178.5	0	113.7	V185 N189 T225 V226	V185-K229 HydrophobicContact CB-CB 4.44Å; V185-K229 HydrophobicContact CG1-CB 3.62Å; V185-K229 WeakPolarHBondContact CG1-O 3.19Å; N189-K229 PolarHBondContact ND2-O 3.44Å; T225-K229 HydrophobicContact CG2-CG 4.03Å; T225-K229 VanDerWaalsContact O-CB 3.25Å; T225-K229 WeakPolarHBondContact O-CB 3.23Å; T225-K229 WeakPolarHBondContact O-CG 3.33Å; T225-K229 PolarHBondContact O-N 2.93Å; V226-K229 PolarHBondContact O-N 3.14Å
230	L	98.8	Very high	98.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	-72.2	130.1	178.8	-170.3	72.8	0	0	0	109.3	V185 T188 F203 V226 I234 V236 R262	V185-L230 HydrophobicContact CG1-CB 4.21Å; V185-L230 HydrophobicContact CG1-CD1 4.3Å; V185-L230 HydrophobicContact CG2-CB 4.3Å; V185-L230 HydrophobicContact CG2-CD1 4.36Å; T188-L230 HydrophobicContact CG2-CD1 3.61Å; F203-L230 HydrophobicContact CB-CD2 3.97Å; F203-L230 HydrophobicContact CD1-CD2 3.98Å; F203-L230 HydrophobicContact CD2-CD1 4.47Å; F203-L230 HydrophobicContact CG-CD1 4.39Å; F203-L230 HydrophobicContact CG-CD2 4.06Å; V226-L230 HydrophobicContact CG1-CB 4.23Å; V226-L230 HydrophobicContact CG1-CD2 3.99Å; V226-L230 WeakPolarHBondContact O-CB 3.25Å; V226-L230 PolarHBondContact O-N 2.94Å; L230-I234 HydrophobicContact CD1-CB 4.43Å; L230-I234 HydrophobicContact CD1-CD1 3.94Å; L230-I234 HydrophobicContact CD1-CG2 4.16Å; L230-I234 HydrophobicContact CD2-CB 4.18Å; L230-I234 HydrophobicContact CD2-CG2 3.83Å; L230-I234 HydrophobicContact CG-CB 4.06Å; L230-I234 HydrophobicContact CG-CD1 4.31Å; L230-I234 HydrophobicContact CG-CG2 4.07Å; L230-V236 HydrophobicContact CD2-CG2 3.46Å; L230-V236 VanDerWaalsContact CD2-CG2 3.46Å; L230-R262 PolarHBondContact O-NH2 2.92Å
231	L	98.7	Very high	98.4	Very high	43 Å²	43	33.6 Å²	33.6	23%	0.225	18%	0.182	C	C	.	.			trans	-55.7	138.1	-174	-76.7	166.6	0	0	0	111.9	N189 Y192 Q193 S233 I234 R262	N189-L231 HydrophobicContact CB-CD1 3.91Å; N189-L231 HydrophobicContact CB-CG 4.26Å; N189-L231 WeakPolarHBondContact OD1-CG 3.32Å; N189-L231 PolarHBondContact OD1-N 3.37Å; Y192-L231 HydrophobicContact CD1-CD1 3.8Å; Y192-L231 HydrophobicContact CE1-CD1 4.47Å; Q193-L231 HydrophobicContact CG-CD1 3.75Å; L231-S233 PolarHBondContact O-N 3.31Å; L231-S233 VanDerWaalsContact O-N 3.09Å; L231-I234 HydrophobicContact CB-CD1 4.02Å; L231-I234 HydrophobicContact CB-CG1 4.22Å; L231-I234 WeakPolarHBondContact O-CB 3.43Å; L231-I234 PolarHBondContact O-N 3.31Å; L231-R262 PolarHBondContact O-NH2 3.45Å
232	P	97.1	Very high	98.3	Very high	106 Å²	106	31.7 Å²	31.7	69%	0.688	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.5	-169.1	-29.4	36.2	0	0	0	115.1	I234	P232-I234 VanDerWaalsContact C-N 3.26Å; P232-I234 PolarHBondContact O-N 2.86Å
233	S	96.8	Very high	98.2	Very high	70 Å²	70	32 Å²	32	49%	0.49	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8	-179.7	-47.1	0	0	0	0	114.9	Y192 L231	Y192-S233 WeakPolarHBondContact OH-CB 3.27Å; L231-S233 PolarHBondContact O-N 3.31Å; L231-S233 VanDerWaalsContact O-N 3.09Å
234	I	98.7	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-86.7	122.8	174.3	-58	177.7	0	0	0	108.3	T188 Y192 F201 F203 L230 L231 P232 R262	T188-I234 HydrophobicContact CG2-CD1 4.05Å; Y192-I234 HydrophobicContact CD1-CD1 4.01Å; Y192-I234 HydrophobicContact CD1-CG1 4.01Å; Y192-I234 HydrophobicContact CD2-CD1 4.18Å; Y192-I234 HydrophobicContact CD2-CG1 3.85Å; Y192-I234 HydrophobicContact CE1-CG1 4.29Å; Y192-I234 HydrophobicContact CE2-CG1 4.16Å; Y192-I234 HydrophobicContact CG-CD1 3.68Å; Y192-I234 HydrophobicContact CG-CG1 3.77Å; F201-I234 HydrophobicContact CD1-CG1 4.42Å; F201-I234 HydrophobicContact CD1-CG2 3.95Å; F203-I234 HydrophobicContact CB-CG2 3.97Å; L230-I234 HydrophobicContact CD1-CB 4.43Å; L230-I234 HydrophobicContact CD1-CD1 3.94Å; L230-I234 HydrophobicContact CD1-CG2 4.16Å; L230-I234 HydrophobicContact CD2-CB 4.18Å; L230-I234 HydrophobicContact CD2-CG2 3.83Å; L230-I234 HydrophobicContact CG-CB 4.06Å; L230-I234 HydrophobicContact CG-CD1 4.31Å; L230-I234 HydrophobicContact CG-CG2 4.07Å; L231-I234 HydrophobicContact CB-CD1 4.02Å; L231-I234 HydrophobicContact CB-CG1 4.22Å; L231-I234 WeakPolarHBondContact O-CB 3.43Å; L231-I234 PolarHBondContact O-N 3.31Å; P232-I234 VanDerWaalsContact C-N 3.26Å; P232-I234 PolarHBondContact O-N 2.86Å; I234-R262 WeakPolarHBondContact O-CD 3.33Å; I234-R262 PolarHBondContact O-NE 2.83Å; I234-R262 PolarHBondContact O-NH2 3.13Å
235	D	98.6	Very high	98	Very high	19 Å²	19	27.4 Å²	27.4	10%	0.102	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150	176.9	-69.6	-39.8	0	0	0	110.6	F201 L202 F203 V265 K297	F201-D235 PolarHBondContact O-N 3Å; L202-D235 CarbonylContact C-O 3.57Å; L202-D235 WeakPolarHBondContact CA-O 3.33Å; L202-D235 HydrophobicContact CD2-CB 3.82Å; F203-D235 PolarHBondContact N-O 2.87Å; D235-V265 HydrophobicContact CB-CG2 4.13Å; D235-K297 HydrophobicContact CB-CG 4.42Å; D235-K297 WeakPolarHBondContact OD1-CG 3.42Å; D235-K297 WeakPolarHBondContact OD2-CE 3.42Å; D235-K297 WeakPolarHBondContact OD2-CG 3.31Å; D235-K297 IonicContact OD2-NZ 3.53Å
236	V	98.9	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.6	-176.2	172.9	0	0	0	0	110.4	F203 P205 V226 L230 L260 P264 V265	F203-V236 HydrophobicContact CD1-CG2 4.24Å; F203-V236 WeakPolarHBondContact O-CA 3.29Å; P205-V236 HydrophobicContact CG-CG1 4.22Å; V226-V236 HydrophobicContact CG1-CG2 4.31Å; L230-V236 HydrophobicContact CD2-CG2 3.46Å; L230-V236 VanDerWaalsContact CD2-CG2 3.46Å; V236-L260 HydrophobicContact CB-CD1 4.17Å; V236-L260 HydrophobicContact CG1-CD1 3.72Å; V236-L260 HydrophobicContact CG1-CD2 4.04Å; V236-P264 CarbonylContact O-C 3.56Å; V236-P264 WeakPolarHBondContact O-CA 3.28Å; V236-V265 PolarHBondContact O-N 2.98Å
237	L	98.9	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.5	176.8	-71.1	158.3	0	0	0	111.2	L83 L161 L202 F203 C204 P205 V265 W267	L83-L237 HydrophobicContact CD2-CD1 4.4Å; L161-L237 HydrophobicContact CD2-CD1 4.05Å; L202-L237 HydrophobicContact CB-CD1 4.01Å; L202-L237 HydrophobicContact CB-CG 4.34Å; L202-L237 HydrophobicContact CD1-CD1 4.28Å; L202-L237 HydrophobicContact CD1-CD2 4.31Å; L202-L237 HydrophobicContact CD1-CG 4.49Å; F203-L237 PolarHBondContact O-N 3.33Å; C204-L237 HydrophobicContact CB-CB 4.17Å; C204-L237 HydrophobicContact CB-CD1 3.87Å; P205-L237 VanDerWaalsContact CD-O 3.3Å; P205-L237 WeakPolarHBondContact CD-O 3.43Å; L237-V265 CarbonylContact C-O 3.51Å; L237-V265 VanDerWaalsContact CA-O 3.31Å; L237-V265 WeakPolarHBondContact CA-O 3.45Å; L237-V265 HydrophobicContact CD2-CB 4.06Å; L237-V265 HydrophobicContact CD2-CG1 3.88Å; L237-W267 HydrophobicContact CD1-CE3 4.21Å; L237-W267 HydrophobicContact CD2-CB 4.32Å; L237-W267 HydrophobicContact CD2-CE3 4.48Å
238	W	98.9	Very high	97.6	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	141.6	-177.6	-175.1	-111.8	0	0	0	111.2	E207 Y208 V217 L223 G240 V256 P264 V265 I266 W267	E207-W238 WeakPolarHBondContact O-CZ3 3.37Å; Y208-W238 VanDerWaalsContact C-CE3 3.48Å; V217-W238 HydrophobicContact CG2-CH2 4.08Å; V217-W238 HydrophobicContact CG2-CZ2 4.22Å; L223-W238 HydrophobicContact CD1-CH2 4.4Å; L223-W238 HydrophobicContact CD1-CZ3 4.17Å; W238-G240 VanDerWaalsContact CD1-N 3.25Å; W238-G240 VanDerWaalsContact NE1-CA 3.34Å; W238-G240 PolarHBondContact NE1-O 2.81Å; W238-V256 HydrophobicContact CD2-CG1 4.47Å; W238-V256 HydrophobicContact CD2-CG2 3.9Å; W238-V256 HydrophobicContact CE3-CG2 3.97Å; W238-V256 HydrophobicContact CG-CG1 4.45Å; W238-V256 HydrophobicContact CH2-CG2 3.88Å; W238-V256 HydrophobicContact CZ2-CB 4.2Å; W238-V256 HydrophobicContact CZ2-CG2 3.8Å; W238-V256 HydrophobicContact CZ3-CG2 3.95Å; W238-P264 HydrophobicContact CB-CB 3.81Å; W238-P264 HydrophobicContact CB-CG 4.43Å; W238-V265 PolarHBondContact N-O 3.35Å; W238-I266 HydrophobicContact CB-CD1 4.42Å; W238-I266 CarbonylContact O-C 3.56Å; W238-I266 WeakPolarHBondContact O-CA 3.43Å; W238-W267 PolarHBondContact O-N 2.67Å
239	T	98.6	Very high	97.5	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	18%	0.176	C	C	.	.			trans	-102.3	0.3	-177.5	57.9	0	0	0	0	114.5	Y208 C209 K242 S245 W267	Y208-T239 HydrophobicContact CD2-CG2 3.62Å; Y208-T239 HydrophobicContact CE2-CG2 4.07Å; Y208-T239 PolarHBondContact O-N 3.27Å; Y208-T239 PolarHBondContact O-OG1 2.81Å; C209-T239 WeakPolarHBondContact CB-OG1 3.4Å; T239-K242 PolarHBondContact OG1-O 3.04Å; T239-S245 WeakPolarHBondContact O-CB 3.16Å; T239-S245 PolarHBondContact O-OG 3.41Å; T239-W267 WeakPolarHBondContact CA-O 3.17Å; T239-W267 HydrophobicContact CG2-CB 4.13Å; T239-W267 HydrophobicContact CG2-CG 4.3Å; T239-W267 WeakPolarHBondContact CG2-O 3.34Å
240	G	98.3	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.			trans	94.8	-159.1	-174.7	0	0	0	0	0	112.7	C209 G210 W238 K242 S245	C209-G240 WeakPolarHBondContact CA-O 3.3Å; G210-G240 PolarHBondContact N-O 3.2Å; W238-G240 VanDerWaalsContact CD1-N 3.25Å; W238-G240 VanDerWaalsContact NE1-CA 3.34Å; W238-G240 PolarHBondContact NE1-O 2.81Å; G240-K242 PolarHBondContact O-N 3.22Å; G240-S245 WeakPolarHBondContact CA-OG 3.39Å
241	P	97.6	Very high	97.3	Very high	42 Å²	42	34 Å²	34	27%	0.273	19%	0.19	S	C	.	.	S	Bend	trans	-57.6	-28.3	178.2	-27.7	36.2	0	0	0	115.1	G210 T211 S245	G210-P241 CarbonylContact C-O 3.59Å; G210-P241 VanDerWaalsContact CA-O 3.26Å; G210-P241 WeakPolarHBondContact CA-O 3.32Å; G210-P241 PolarHBondContact N-O 2.89Å; G210-P241 VanDerWaalsContact N-O 3.15Å; T211-P241 PolarHBondContact N-O 3.01Å; P241-S245 WeakPolarHBondContact CD-OG 3.42Å
242	K	96.3	Very high	97.3	Very high	30 Å²	30	33.1 Å²	33.1	13%	0.13	19%	0.187	C	C	.	.	S	Bend	trans	-136.9	164.1	-177.2	-66	165.5	161.9	-88.4	0	110.9	T211 T239 G240 V244 S245 E694 Q695 E696	T211-K242 HydrophobicContact CG2-CG 4.23Å; T239-K242 PolarHBondContact OG1-O 3.04Å; G240-K242 PolarHBondContact O-N 3.22Å; K242-V244 VanDerWaalsContact C-N 3.27Å; K242-V244 PolarHBondContact O-N 2.86Å; K242-S245 PolarHBondContact N-OG 3.48Å; K242-S245 PolarHBondContact O-N 2.99Å; K242-S245 PolarHBondContact O-OG 3.03Å; K242-E694 PolarHBondContact NZ-O 3.39Å; K242-Q695 PolarHBondContact NZ-O 2.91Å; K242-Q695 VanDerWaalsContact NZ-O 3.16Å; K242-E696 WeakPolarHBondContact CG-OE1 3.32Å; K242-E696 IonicContact NZ-OE1 2.68Å; K242-E696 PolarHBondContact NZ-OE1 3.32Å; K242-E696 IonicContact NZ-OE2 3.18Å; K242-E696 PolarHBondContact NZ-OE2 2.74Å
243	V	95.2	Very high	97.4	Very high	21 Å²	21	28 Å²	28	13%	0.127	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-46.2	171.5	-178.6	0	0	0	0	111.2	Y208 F212 N269 W698	Y208-V243 HydrophobicContact CE2-CB 4.44Å; Y208-V243 HydrophobicContact CE2-CG1 4.18Å; Y208-V243 HydrophobicContact CE2-CG2 3.96Å; F212-V243 HydrophobicContact CE1-CG2 3.79Å; F212-V243 HydrophobicContact CE2-CG2 4.22Å; F212-V243 HydrophobicContact CZ-CG2 3.56Å; V243-N269 WeakPolarHBondContact O-CB 3.34Å; V243-N269 PolarHBondContact O-ND2 2.77Å; V243-W698 HydrophobicContact CB-CH2 4.35Å; V243-W698 HydrophobicContact CB-CZ3 4.26Å; V243-W698 HydrophobicContact CG2-CH2 4.41Å
244	V	96.4	Very high	97.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	79.7	171	-175.1	0	0	0	0	107.7	K242 K246 N269 Y275 P569 Y570 W698	K242-V244 VanDerWaalsContact C-N 3.27Å; K242-V244 PolarHBondContact O-N 2.86Å; V244-K246 PolarHBondContact O-N 2.68Å; V244-N269 HydrophobicContact CG2-CB 4.12Å; V244-Y275 HydrophobicContact CG2-CE1 3.92Å; V244-P569 HydrophobicContact CG1-CB 4.01Å; V244-P569 HydrophobicContact CG1-CG 4.12Å; V244-Y570 HydrophobicContact CG1-CE2 4.05Å; V244-Y570 VanDerWaalsContact O-CE2 3.23Å; V244-Y570 WeakPolarHBondContact O-CE2 3.21Å; V244-Y570 PolarHBondContact O-OH 3.16Å; V244-W698 HydrophobicContact CG2-CZ3 4.49Å
245	S	96.4	Very high	97.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.168	C	C	.	.			trans	-62.7	121	-178.8	-68.5	0	0	0	0	111.8	T239 G240 P241 K242 F270 R288	T239-S245 WeakPolarHBondContact O-CB 3.16Å; T239-S245 PolarHBondContact O-OG 3.41Å; G240-S245 WeakPolarHBondContact CA-OG 3.39Å; P241-S245 WeakPolarHBondContact CD-OG 3.42Å; K242-S245 PolarHBondContact N-OG 3.48Å; K242-S245 PolarHBondContact O-N 2.99Å; K242-S245 PolarHBondContact O-OG 3.03Å; S245-F270 WeakPolarHBondContact O-CD2 3.42Å; S245-R288 PolarHBondContact O-NH1 2.83Å; S245-R288 VanDerWaalsContact O-NH1 3.08Å; S245-R288 PolarHBondContact O-NH2 3.39Å
246	K	94.3	Very high	97.4	Very high	92 Å²	92	31.8 Å²	31.8	40%	0.4	16%	0.163	S	C	.	.	S	Bend	trans	-61.5	-53.2	172.4	-179.1	-177.6	167	-82.8	0	110.3	V244 F270 R288 Y570	V244-K246 PolarHBondContact O-N 2.68Å; K246-F270 WeakPolarHBondContact O-CE2 3.46Å; K246-R288 PolarHBondContact O-NH1 3.41Å; K246-Y570 HydrophobicContact CB-CD2 3.46Å; K246-Y570 VanDerWaalsContact CB-CD2 3.46Å; K246-Y570 HydrophobicContact CB-CE2 3.66Å; K246-Y570 HydrophobicContact CB-CG 3.94Å; K246-Y570 HydrophobicContact CD-CD2 4.43Å; K246-Y570 HydrophobicContact CD-CG 4.1Å; K246-Y570 HydrophobicContact CG-CD2 3.69Å; K246-Y570 HydrophobicContact CG-CE2 4.4Å; K246-Y570 HydrophobicContact CG-CG 3.85Å
247	D	96.4	Very high	97.4	Very high	67 Å²	67	33 Å²	33	36%	0.358	17%	0.171	S	C	.	.			trans	-129.9	152.8	175.6	-54.7	-74.6	0	0	0	108.2	G287	D247-G287 CarbonylContact C-O 3.25Å; D247-G287 VanDerWaalsContact CA-O 3.28Å; D247-G287 WeakPolarHBondContact CA-O 3.43Å; D247-G287 VanDerWaalsContact OD1-CA 3.23Å; D247-G287 WeakPolarHBondContact OD1-CA 3.36Å
248	I	97.9	Very high	97.4	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-120.2	94	173.4	-58.2	-178.6	0	0	0	107.5	I253 I266 G287 R288 L292	I248-I253 HydrophobicContact CG2-CD1 3.69Å; I248-I253 HydrophobicContact CG2-CG1 3.7Å; I248-I266 HydrophobicContact CD1-CG2 4.09Å; I248-G287 PolarHBondContact N-O 2.95Å; I248-R288 HydrophobicContact CB-CG 4.19Å; I248-R288 HydrophobicContact CD1-CG 4.03Å; I248-R288 HydrophobicContact CG1-CG 4.21Å; I248-L292 HydrophobicContact CB-CD1 4.23Å; I248-L292 HydrophobicContact CG2-CD1 4.12Å
249	P	96.9	Very high	97.4	Very high	47 Å²	47	42 Å²	42	31%	0.305	21%	0.211	S	C	.	.			trans	-68	151	-179.8	-20.5	33.6	0	0	0	112.6	E251 S252 I253	P249-E251 VanDerWaalsContact C-N 3.34Å; P249-E251 HydrophobicContact CB-CG 4.25Å; P249-E251 VanDerWaalsContact CB-OE1 3.26Å; P249-E251 WeakPolarHBondContact CB-OE1 3.1Å; P249-E251 WeakPolarHBondContact CB-OE2 3.3Å; P249-E251 PolarHBondContact O-N 3.07Å; P249-S252 WeakPolarHBondContact O-CB 3.29Å; P249-S252 PolarHBondContact O-N 3.32Å; P249-S252 VanDerWaalsContact O-N 3.17Å; P249-S252 PolarHBondContact O-OG 3.43Å; P249-I253 PolarHBondContact O-N 2.97Å
250	V	96.4	Very high	97.3	Very high	31 Å²	31	41.8 Å²	41.8	19%	0.188	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-45.5	-177.8	168	0	0	0	0	111.3	S252 I253 E254 E291 L292 R295	V250-S252 VanDerWaalsContact C-N 3.28Å; V250-S252 PolarHBondContact O-N 3.35Å; V250-I253 PolarHBondContact O-N 3.29Å; V250-I253 VanDerWaalsContact O-N 3.12Å; V250-E254 PolarHBondContact O-N 3.3Å; V250-E291 HydrophobicContact CG2-CB 4.29Å; V250-L292 HydrophobicContact CB-CD2 4.46Å; V250-L292 HydrophobicContact CG2-CD2 3.94Å; V250-R295 VanDerWaalsContact CG1-NE 3.35Å
251	E	97.1	Very high	97.3	Very high	130 Å²	130	49.2 Å²	49.2	61%	0.607	24%	0.238	S	C	*	.	H	α-helix	trans	-61.9	-31.7	178.4	66.4	-82.8	-159.4	0	0	112.9	P249 I253 E254 E255	P249-E251 VanDerWaalsContact C-N 3.34Å; P249-E251 HydrophobicContact CB-CG 4.25Å; P249-E251 VanDerWaalsContact CB-OE1 3.26Å; P249-E251 WeakPolarHBondContact CB-OE1 3.1Å; P249-E251 WeakPolarHBondContact CB-OE2 3.3Å; P249-E251 PolarHBondContact O-N 3.07Å; E251-I253 VanDerWaalsContact C-N 3.33Å; E251-E254 PolarHBondContact O-N 3.49Å; E251-E255 PolarHBondContact O-N 3.1Å
252	S	98.1	Very high	97.4	Very high	23 Å²	23	48.6 Å²	48.6	16%	0.161	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-34.8	175.3	78.3	0	0	0	0	111.8	P249 V250 V256	P249-S252 WeakPolarHBondContact O-CB 3.29Å; P249-S252 PolarHBondContact O-N 3.32Å; P249-S252 VanDerWaalsContact O-N 3.17Å; P249-S252 PolarHBondContact O-OG 3.43Å; V250-S252 VanDerWaalsContact C-N 3.28Å; V250-S252 PolarHBondContact O-N 3.35Å; S252-V256 PolarHBondContact O-N 3.34Å; S252-V256 VanDerWaalsContact O-N 3.12Å
253	I	98.4	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-75	-34.5	174.5	-62.4	-52.2	0	0	0	111	I248 P249 V250 E251 V256 S257 P264 I266 L292 R295 L296	I248-I253 HydrophobicContact CG2-CD1 3.69Å; I248-I253 HydrophobicContact CG2-CG1 3.7Å; P249-I253 PolarHBondContact O-N 2.97Å; V250-I253 PolarHBondContact O-N 3.29Å; V250-I253 VanDerWaalsContact O-N 3.12Å; E251-I253 VanDerWaalsContact C-N 3.33Å; I253-V256 HydrophobicContact CD1-CG1 4.4Å; I253-S257 WeakPolarHBondContact O-CB 3.22Å; I253-S257 PolarHBondContact O-N 3.35Å; I253-S257 PolarHBondContact O-OG 3.13Å; I253-P264 HydrophobicContact CG2-CG 4.42Å; I253-I266 HydrophobicContact CD1-CD1 3.89Å; I253-L292 HydrophobicContact CB-CD2 4.36Å; I253-L292 HydrophobicContact CG1-CD2 3.95Å; I253-R295 HydrophobicContact CG2-CB 4.31Å; I253-L296 HydrophobicContact CD1-CD2 4.22Å; I253-L296 HydrophobicContact CG1-CD2 4.27Å; I253-L296 HydrophobicContact CG2-CD2 3.69Å
254	E	97.9	Very high	97.6	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-69.8	-34.7	173.7	-67.4	-173.9	-178.3	0	0	112.5	V250 E251 K258 R295	V250-E254 PolarHBondContact O-N 3.3Å; E251-E254 PolarHBondContact O-N 3.49Å; E254-K258 VanDerWaalsContact O-CB 3.32Å; E254-K258 WeakPolarHBondContact O-CB 3.32Å; E254-K258 PolarHBondContact O-N 3.26Å; E254-R295 IonicContact OE1-CZ 3.76Å; E254-R295 IonicContact OE1-NE 2.76Å; E254-R295 PolarHBondContact OE1-NE 2.67Å; E254-R295 IonicContact OE1-NH2 3.11Å; E254-R295 PolarHBondContact OE1-NH2 3.4Å; E254-R295 VanDerWaalsContact OE1-NH2 3.11Å
255	E	98.3	Very high	97.7	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-53.9	171.3	-171.7	-173.4	-170.2	0	0	111.7	V217 S218 E251 S257 K258 I259	V217-E255 HydrophobicContact CB-CG 4.38Å; V217-E255 HydrophobicContact CG1-CG 4.1Å; S218-E255 WeakPolarHBondContact CA-OE1 3.47Å; S218-E255 WeakPolarHBondContact CB-OE1 3.18Å; S218-E255 PolarHBondContact N-OE1 3.37Å; S218-E255 PolarHBondContact OG-OE1 3.27Å; E251-E255 PolarHBondContact O-N 3.1Å; E255-S257 PolarHBondContact O-N 3.44Å; E255-K258 WeakPolarHBondContact O-CB 3.35Å; E255-K258 PolarHBondContact O-N 2.86Å; E255-I259 PolarHBondContact O-N 3.29Å
256	V	98.6	Very high	97.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-37.9	-176.7	79.5	0	0	0	0	111.6	V217 L223 W238 S252 I253 K258 I259 L260 P264	V217-V256 HydrophobicContact CG1-CB 3.88Å; V217-V256 HydrophobicContact CG1-CG2 3.9Å; L223-V256 HydrophobicContact CD1-CG2 4.37Å; W238-V256 HydrophobicContact CD2-CG1 4.47Å; W238-V256 HydrophobicContact CD2-CG2 3.9Å; W238-V256 HydrophobicContact CE3-CG2 3.97Å; W238-V256 HydrophobicContact CG-CG1 4.45Å; W238-V256 HydrophobicContact CH2-CG2 3.88Å; W238-V256 HydrophobicContact CZ2-CB 4.2Å; W238-V256 HydrophobicContact CZ2-CG2 3.8Å; W238-V256 HydrophobicContact CZ3-CG2 3.95Å; S252-V256 PolarHBondContact O-N 3.34Å; S252-V256 VanDerWaalsContact O-N 3.12Å; I253-V256 HydrophobicContact CD1-CG1 4.4Å; V256-K258 PolarHBondContact O-N 3.14Å; V256-I259 WeakPolarHBondContact O-CG2 3.48Å; V256-I259 PolarHBondContact O-N 3.16Å; V256-L260 HydrophobicContact CG2-CD1 3.79Å; V256-L260 HydrophobicContact CG2-CG 4.13Å; V256-L260 WeakPolarHBondContact O-CB 3.37Å; V256-L260 WeakPolarHBondContact O-CG 3.24Å; V256-L260 PolarHBondContact O-N 2.87Å; V256-P264 HydrophobicContact CG1-CG 4.13Å
257	S	98.4	Very high	98.1	Very high	24 Å²	24	43.8 Å²	43.8	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-31.3	176.5	-59.5	0	0	0	0	112.3	I253 E255 R261 R262 P264	I253-S257 WeakPolarHBondContact O-CB 3.22Å; I253-S257 PolarHBondContact O-N 3.35Å; I253-S257 PolarHBondContact O-OG 3.13Å; E255-S257 PolarHBondContact O-N 3.44Å; S257-R261 VanDerWaalsContact O-CA 3.28Å; S257-R261 WeakPolarHBondContact O-CA 3.47Å; S257-R261 PolarHBondContact O-N 3.47Å; S257-R262 WeakPolarHBondContact CA-O 3.39Å; S257-R262 WeakPolarHBondContact CB-O 3.36Å; S257-R262 PolarHBondContact O-N 2.87Å; S257-P264 WeakPolarHBondContact OG-CD 3.38Å
258	K	98.5	Very high	98.2	Very high	176 Å²	176	40.6 Å²	40.6	77%	0.765	20%	0.196	S	C	*	.	H	α-helix	trans	-71	-39.2	178.3	-178.7	-178.8	178.3	-177.7	0	112.7	E254 E255 V256	E254-K258 VanDerWaalsContact O-CB 3.32Å; E254-K258 WeakPolarHBondContact O-CB 3.32Å; E254-K258 PolarHBondContact O-N 3.26Å; E255-K258 WeakPolarHBondContact O-CB 3.35Å; E255-K258 PolarHBondContact O-N 2.86Å; V256-K258 PolarHBondContact O-N 3.14Å
259	I	98.5	Very high	98.2	Very high	18 Å²	18	41.1 Å²	41.1	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-79.1	-39.6	175.9	-169.3	167.6	0	0	0	112.1	V217 L223 R224 E255 V256 R261	V217-I259 HydrophobicContact CG1-CG2 4.2Å; V217-I259 WeakPolarHBondContact O-CD1 3.44Å; L223-I259 HydrophobicContact CB-CD1 3.91Å; L223-I259 HydrophobicContact CB-CG1 4.2Å; L223-I259 HydrophobicContact CB-CG2 4.27Å; L223-I259 HydrophobicContact CD1-CG2 4.23Å; R224-I259 HydrophobicContact CB-CD1 4.14Å; R224-I259 HydrophobicContact CB-CG1 4.35Å; E255-I259 PolarHBondContact O-N 3.29Å; V256-I259 WeakPolarHBondContact O-CG2 3.48Å; V256-I259 PolarHBondContact O-N 3.16Å; I259-R261 VanDerWaalsContact C-N 3.27Å; I259-R261 PolarHBondContact O-N 3.16Å
260	L	98.3	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71	-19.5	174.9	-70.7	178.7	0	0	0	113.6	L223 V226 G227 V236 V256 R262	L223-L260 HydrophobicContact CD2-CD2 4.08Å; V226-L260 HydrophobicContact CB-CD2 4.44Å; V226-L260 HydrophobicContact CG1-CD2 4Å; G227-L260 WeakPolarHBondContact CA-O 3.45Å; V236-L260 HydrophobicContact CB-CD1 4.17Å; V236-L260 HydrophobicContact CG1-CD1 3.72Å; V236-L260 HydrophobicContact CG1-CD2 4.04Å; V256-L260 HydrophobicContact CG2-CD1 3.79Å; V256-L260 HydrophobicContact CG2-CG 4.13Å; V256-L260 WeakPolarHBondContact O-CB 3.37Å; V256-L260 WeakPolarHBondContact O-CG 3.24Å; V256-L260 PolarHBondContact O-N 2.87Å; L260-R262 HydrophobicContact CB-CG 4.06Å; L260-R262 PolarHBondContact O-N 3.41Å; L260-R262 PolarHBondContact O-NH1 3.23Å
261	R	98.3	Very high	98.3	Very high	156 Å²	156	37.7 Å²	37.7	59%	0.589	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	20.2	-176.2	-49.9	-172.9	-179.1	169	3.4	115.1	G227 E228 S257 I259	G227-R261 WeakPolarHBondContact O-CD 3.38Å; E228-R261 VanDerWaalsContact CG-CZ 3.41Å; E228-R261 IonicContact OE1-CZ 2.71Å; E228-R261 IonicContact OE1-NH2 3.75Å; E228-R261 PolarHBondContact OE1-NH2 3.42Å; S257-R261 VanDerWaalsContact O-CA 3.28Å; S257-R261 WeakPolarHBondContact O-CA 3.47Å; S257-R261 PolarHBondContact O-N 3.47Å; I259-R261 VanDerWaalsContact C-N 3.27Å; I259-R261 PolarHBondContact O-N 3.16Å
262	R	98.1	Very high	98.3	Very high	30 Å²	30	31.6 Å²	31.6	11%	0.113	15%	0.148	C	C	.	.	S	Bend	trans	-154	157.5	-179.4	57.1	176.9	58	76.3	-22.8	109.5	L230 L231 I234 S257 L260	L230-R262 PolarHBondContact O-NH2 2.92Å; L231-R262 PolarHBondContact O-NH2 3.45Å; I234-R262 WeakPolarHBondContact O-CD 3.33Å; I234-R262 PolarHBondContact O-NE 2.83Å; I234-R262 PolarHBondContact O-NH2 3.13Å; S257-R262 WeakPolarHBondContact CA-O 3.39Å; S257-R262 WeakPolarHBondContact CB-O 3.36Å; S257-R262 PolarHBondContact O-N 2.87Å; L260-R262 HydrophobicContact CB-CG 4.06Å; L260-R262 PolarHBondContact O-N 3.41Å; L260-R262 PolarHBondContact O-NH1 3.23Å
263	A	98.2	Very high	98.2	Very high	32 Å²	32	30.6 Å²	30.6	26%	0.264	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-72.9	131.7	170	0	0	0	0	0	109.9	R295 K297	A263-R295 WeakPolarHBondContact CB-O 3.4Å; A263-K297 HydrophobicContact CB-CB 4.39Å
264	P	98.6	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-77.2	160.3	178.4	31.2	-34.9	0	0	0	112.5	V236 W238 I253 V256 S257 L296 K297	V236-P264 CarbonylContact O-C 3.56Å; V236-P264 WeakPolarHBondContact O-CA 3.28Å; W238-P264 HydrophobicContact CB-CB 3.81Å; W238-P264 HydrophobicContact CB-CG 4.43Å; I253-P264 HydrophobicContact CG2-CG 4.42Å; V256-P264 HydrophobicContact CG1-CG 4.13Å; S257-P264 WeakPolarHBondContact OG-CD 3.38Å; P264-L296 HydrophobicContact CG-CD2 3.86Å; P264-K297 PolarHBondContact O-N 2.92Å
265	V	98.9	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.4	159.2	177.6	0	0	0	0	107.1	I50 L202 D235 V236 L237 W238 K297 L300	I50-V265 HydrophobicContact CD1-CG2 4.06Å; I50-V265 HydrophobicContact CG2-CG1 4.07Å; L202-V265 HydrophobicContact CD2-CG2 4.47Å; D235-V265 HydrophobicContact CB-CG2 4.13Å; V236-V265 PolarHBondContact O-N 2.98Å; L237-V265 CarbonylContact C-O 3.51Å; L237-V265 VanDerWaalsContact CA-O 3.31Å; L237-V265 WeakPolarHBondContact CA-O 3.45Å; L237-V265 HydrophobicContact CD2-CB 4.06Å; L237-V265 HydrophobicContact CD2-CG1 3.88Å; W238-V265 PolarHBondContact N-O 3.35Å; V265-K297 HydrophobicContact CG2-CB 3.79Å; V265-K297 HydrophobicContact CG2-CG 3.6Å; V265-L300 HydrophobicContact CG1-CD1 4.26Å; V265-L300 HydrophobicContact CG1-CG 4.27Å
266	I	98.9	Very high	96.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.9	176.3	-58.3	-59.8	0	0	0	110	W238 I248 I253 D268 L296 G298 V299 L300	W238-I266 HydrophobicContact CB-CD1 4.42Å; W238-I266 CarbonylContact O-C 3.56Å; W238-I266 WeakPolarHBondContact O-CA 3.43Å; I248-I266 HydrophobicContact CD1-CG2 4.09Å; I253-I266 HydrophobicContact CD1-CD1 3.89Å; I266-D268 HydrophobicContact CG2-CB 3.85Å; I266-L296 HydrophobicContact CD1-CD1 4.44Å; I266-L296 HydrophobicContact CD1-CD2 3.75Å; I266-L296 HydrophobicContact CG1-CD1 3.56Å; I266-L296 HydrophobicContact CG1-CD2 3.68Å; I266-L296 HydrophobicContact CG1-CG 4.24Å; I266-G298 PolarHBondContact N-O 3Å; I266-V299 HydrophobicContact CB-CG1 4.38Å; I266-V299 HydrophobicContact CB-CG2 4.21Å; I266-V299 HydrophobicContact CG1-CG2 4.44Å; I266-L300 PolarHBondContact O-N 2.94Å
267	W	98.8	Very high	95.8	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	108.9	158.3	178.3	-55.4	0	0	0	106.3	V54 L83 A85 L161 L237 W238 T239 N269 L300	V54-W267 HydrophobicContact CG1-CD2 4.06Å; V54-W267 HydrophobicContact CG1-CE3 4.42Å; V54-W267 HydrophobicContact CG1-CG 4.41Å; V54-W267 HydrophobicContact CG1-CZ2 4.41Å; V54-W267 HydrophobicContact CG2-CE3 4.2Å; V54-W267 HydrophobicContact CG2-CH2 3.73Å; V54-W267 HydrophobicContact CG2-CZ2 4.06Å; V54-W267 HydrophobicContact CG2-CZ3 3.81Å; L83-W267 HydrophobicContact CD2-CE3 4.35Å; L83-W267 HydrophobicContact CD2-CZ3 4.16Å; A85-W267 HydrophobicContact CB-CH2 4.09Å; A85-W267 HydrophobicContact CB-CZ3 4.43Å; L161-W267 HydrophobicContact CD1-CH2 4.44Å; L161-W267 HydrophobicContact CD1-CZ3 4.29Å; L161-W267 HydrophobicContact CD2-CZ3 4.38Å; L237-W267 HydrophobicContact CD1-CE3 4.21Å; L237-W267 HydrophobicContact CD2-CB 4.32Å; L237-W267 HydrophobicContact CD2-CE3 4.48Å; W238-W267 PolarHBondContact O-N 2.67Å; T239-W267 WeakPolarHBondContact CA-O 3.17Å; T239-W267 HydrophobicContact CG2-CB 4.13Å; T239-W267 HydrophobicContact CG2-CG 4.3Å; T239-W267 WeakPolarHBondContact CG2-O 3.34Å; W267-N269 VanDerWaalsContact CD1-OD1 3.3Å; W267-N269 PolarHBondContact NE1-OD1 3.36Å; W267-L300 CarbonylContact C-O 3.52Å; W267-L300 WeakPolarHBondContact CA-O 3.4Å
268	D	98.8	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102.5	-169.4	-147.4	-28.3	0	0	0	112.7	I266 F270 Y285 R288 V299 L300 T301 N302	I266-D268 HydrophobicContact CG2-CB 3.85Å; D268-F270 PolarHBondContact O-N 3.35Å; D268-F270 WeakPolarHBondContact OD1-CB 3.1Å; D268-F270 PolarHBondContact OD1-N 2.66Å; D268-Y285 VanDerWaalsContact OD2-CE2 3.29Å; D268-Y285 WeakPolarHBondContact OD2-CE2 3.33Å; D268-Y285 PolarHBondContact OD2-OH 3.42Å; D268-R288 IonicContact OD1-CZ 2.67Å; D268-R288 IonicContact OD1-NE 2.67Å; D268-R288 PolarHBondContact OD1-NE 2.85Å; D268-R288 IonicContact OD1-NH2 3.98Å; D268-R288 PolarHBondContact OD1-NH2 3.27Å; D268-R288 IonicContact OD2-CZ 3.46Å; D268-R288 IonicContact OD2-NE 3.36Å; D268-R288 PolarHBondContact OD2-NE 3Å; D268-R288 IonicContact OD2-NH2 2.7Å; D268-V299 HydrophobicContact CB-CG1 4.33Å; D268-L300 PolarHBondContact N-O 3.45Å; D268-T301 WeakPolarHBondContact O-CA 3.45Å; D268-T301 PolarHBondContact O-OG1 3.43Å; D268-N302 PolarHBondContact O-N 3.44Å
269	N	98.4	Very high	94.7	Very high	15 Å²	15	29.1 Å²	29.1	8%	0.08	13%	0.133	C	C	.	.			trans	-83.3	13.6	177.3	-59.7	-56.8	0	0	0	113.4	V243 V244 W267 H271 A272 N302	V243-N269 WeakPolarHBondContact O-CB 3.34Å; V243-N269 PolarHBondContact O-ND2 2.77Å; V244-N269 HydrophobicContact CG2-CB 4.12Å; W267-N269 VanDerWaalsContact CD1-OD1 3.3Å; W267-N269 PolarHBondContact NE1-OD1 3.36Å; N269-H271 PolarHBondContact O-N 2.96Å; N269-A272 HydrophobicContact CB-CB 4.05Å; N269-A272 PolarHBondContact O-N 3.4Å; N269-N302 WeakPolarHBondContact OD1-CB 3.34Å; N269-N302 PolarHBondContact OD1-ND2 2.76Å
270	F	97.3	Very high	94.5	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.8	-177.6	-165.7	-117.3	0	0	0	114.3	S245 K246 D268 K286 L568 P569	S245-F270 WeakPolarHBondContact O-CD2 3.42Å; K246-F270 WeakPolarHBondContact O-CE2 3.46Å; D268-F270 PolarHBondContact O-N 3.35Å; D268-F270 WeakPolarHBondContact OD1-CB 3.1Å; D268-F270 PolarHBondContact OD1-N 2.66Å; F270-K286 HydrophobicContact CE1-CB 3.9Å; F270-K286 HydrophobicContact CZ-CB 3.93Å; F270-L568 HydrophobicContact CD1-CD2 4.11Å; F270-L568 HydrophobicContact CE1-CD1 3.93Å; F270-L568 HydrophobicContact CE1-CD2 3.51Å; F270-L568 HydrophobicContact CE1-CG 4.26Å; F270-L568 HydrophobicContact CZ-CD1 3.94Å; F270-L568 HydrophobicContact CZ-CD2 4.08Å; F270-L568 HydrophobicContact CZ-CG 4.42Å; F270-P569 HydrophobicContact CD2-CG 3.86Å; F270-P569 HydrophobicContact CE2-CG 3.97Å; F270-P569 HydrophobicContact CG-CG 4.46Å; F270-P569 WeakPolarHBondContact O-CD 3.21Å; F270-P569 VanDerWaalsContact O-CG 3.27Å; F270-P569 WeakPolarHBondContact O-CG 3.26Å
271	H	98.3	Very high	94.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	6.1	177.6	-71.4	100.5	0	0	0	113.7	N269 F281 G283 P303 N304 A313	N269-H271 PolarHBondContact O-N 2.96Å; H271-F281 HydrophobicContact CB-CB 4.48Å; H271-G283 PolarHBondContact NE2-O 3.24Å; H271-P303 HydrophobicContact CB-CB 4.32Å; H271-P303 CarbonylContact O-C 3.4Å; H271-P303 VanDerWaalsContact O-C 3.23Å; H271-N304 VanDerWaalsContact O-CG 3.27Å; H271-N304 PolarHBondContact O-N 3.42Å; H271-N304 PolarHBondContact O-OD1 3.44Å; H271-A313 HydrophobicContact CB-CB 3.98Å
272	A	97.3	Very high	94.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	10%	0.103	C	C	.	.			trans	-72.8	139.1	177.2	0	0	0	0	0	111.4	N269 Y275 F281 N302	N269-A272 HydrophobicContact CB-CB 4.05Å; N269-A272 PolarHBondContact O-N 3.4Å; A272-Y275 WeakPolarHBondContact O-CE1 3.45Å; A272-Y275 PolarHBondContact O-OH 3.18Å; A272-F281 WeakPolarHBondContact O-CD2 3.45Å; A272-F281 WeakPolarHBondContact O-CE2 3.27Å; A272-N302 PolarHBondContact N-O 3.2Å
273	N	95.7	Very high	94.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	10%	0.097	C	C	.	.			trans	-124.7	1.7	178.9	70.8	-27.3	0	0	0	115	Y275 D276 R279 F281 N304 C305 E306 Y644	N273-Y275 PolarHBondContact O-N 3.08Å; N273-Y275 VanDerWaalsContact O-N 3.12Å; N273-D276 CarbonylContact O-C 3.28Å; N273-D276 VanDerWaalsContact O-C 3.29Å; N273-D276 PolarHBondContact O-N 2.59Å; N273-R279 WeakPolarHBondContact CB-O 3.27Å; N273-R279 PolarHBondContact ND2-O 3.15Å; N273-F281 HydrophobicContact CB-CD2 4.04Å; N273-F281 HydrophobicContact CB-CE2 3.9Å; N273-N304 WeakPolarHBondContact OD1-CA 3.32Å; N273-N304 WeakPolarHBondContact OD1-CB 3.3Å; N273-C305 PolarHBondContact OD1-N 2.85Å; N273-E306 PolarHBondContact ND2-OE2 3.26Å; N273-Y644 PolarHBondContact ND2-OH 2.9Å
274	D	92.3	Very high	94.5	Very high	44 Å²	44	18.3 Å²	18.3	24%	0.235	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30	-178.5	58.1	-5.6	0	0	0	114.3	F57 Y58 D276	F57-D274 VanDerWaalsContact CA-OD2 3.31Å; F57-D274 WeakPolarHBondContact CA-OD2 3.34Å; F57-D274 HydrophobicContact CB-CB 4.16Å; F57-D274 WeakPolarHBondContact CB-OD2 3.37Å; Y58-D274 PolarHBondContact N-OD2 3.45Å; D274-D276 VanDerWaalsContact C-N 3.35Å; D274-D276 PolarHBondContact O-N 2.76Å
275	Y	87.1	Confident	94.5	Very high	46 Å²	46	18.4 Å²	18.4	18%	0.18	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	175.3	61.3	-97.1	0	0	0	115.5	V244 A272 N273 F281 S697 W698	V244-Y275 HydrophobicContact CG2-CE1 3.92Å; A272-Y275 WeakPolarHBondContact O-CE1 3.45Å; A272-Y275 PolarHBondContact O-OH 3.18Å; N273-Y275 PolarHBondContact O-N 3.08Å; N273-Y275 VanDerWaalsContact O-N 3.12Å; Y275-F281 WeakPolarHBondContact OH-CE2 3.39Å; Y275-F281 WeakPolarHBondContact OH-CZ 3.38Å; Y275-S697 WeakPolarHBondContact CE2-OG 3.44Å; Y275-S697 VanDerWaalsContact CZ-OG 3.29Å; Y275-S697 PolarHBondContact OH-OG 3.08Å; Y275-W698 HydrophobicContact CD2-CB 3.71Å; Y275-W698 HydrophobicContact CE2-CB 4.33Å; Y275-W698 HydrophobicContact CG-CB 4.4Å
276	D	84.1	Confident	94.4	Very high	19 Å²	19	20.9 Å²	20.9	10%	0.102	10%	0.096	C	C	.	.			trans	-154.2	97	174.3	-174.2	1.4	0	0	0	112.5	N273 D274 K278 R279 R701 G702	N273-D276 CarbonylContact O-C 3.28Å; N273-D276 VanDerWaalsContact O-C 3.29Å; N273-D276 PolarHBondContact O-N 2.59Å; D274-D276 VanDerWaalsContact C-N 3.35Å; D274-D276 PolarHBondContact O-N 2.76Å; D276-K278 PolarHBondContact O-N 3.06Å; D276-K278 PolarHBondContact OD1-N 3.25Å; D276-K278 VanDerWaalsContact OD1-N 3.12Å; D276-R279 HydrophobicContact CB-CB 4.45Å; D276-R279 HydrophobicContact CB-CG 4.06Å; D276-R279 WeakPolarHBondContact O-CB 3.38Å; D276-R279 PolarHBondContact O-N 3.47Å; D276-R279 WeakPolarHBondContact OD2-CD 3.49Å; D276-R279 WeakPolarHBondContact OD2-CG 3.24Å; D276-R701 VanDerWaalsContact OD2-CA 3.23Å; D276-R701 WeakPolarHBondContact OD2-CA 3.2Å; D276-G702 PolarHBondContact OD2-N 2.89Å
277	Q	79.9	Confident	94.2	Very high	161 Å²	161	21.8 Å²	21.8	75%	0.752	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-4.1	179	-64	176.9	-7.6	0	0	115.6	Y644	Q277-Y644 WeakPolarHBondContact O-CE1 3.49Å
278	K	82.4	Confident	94.1	Very high	55 Å²	55	21.7 Å²	21.7	24%	0.239	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	5.2	168.3	-86.9	-167.1	170.1	-117.1	0	113.3	D276 D647 F721	D276-K278 PolarHBondContact O-N 3.06Å; D276-K278 PolarHBondContact OD1-N 3.25Å; D276-K278 VanDerWaalsContact OD1-N 3.12Å; K278-D647 IonicContact NZ-OD1 2.73Å; K278-D647 PolarHBondContact NZ-OD1 3.11Å; K278-D647 IonicContact NZ-OD2 3.5Å; K278-D647 PolarHBondContact NZ-OD2 3.25Å; K278-F721 PolarHBondContact NZ-O 2.8Å
279	R	90	Very high	94	Very high	12 Å²	12	23.3 Å²	23.3	5%	0.045	12%	0.117	C	C	.	.			trans	-117.2	149.5	-178.7	-60.6	-177.5	74.4	172.2	1.7	111.8	N273 D276 F281 P569 Y644 S697	N273-R279 WeakPolarHBondContact CB-O 3.27Å; N273-R279 PolarHBondContact ND2-O 3.15Å; D276-R279 HydrophobicContact CB-CB 4.45Å; D276-R279 HydrophobicContact CB-CG 4.06Å; D276-R279 WeakPolarHBondContact O-CB 3.38Å; D276-R279 PolarHBondContact O-N 3.47Å; D276-R279 WeakPolarHBondContact OD2-CD 3.49Å; D276-R279 WeakPolarHBondContact OD2-CG 3.24Å; R279-F281 HydrophobicContact CB-CE1 4.47Å; R279-F281 HydrophobicContact CB-CE2 4.23Å; R279-F281 HydrophobicContact CB-CZ 3.86Å; R279-P569 PolarHBondContact NH2-O 3.37Å; R279-Y644 VanDerWaalsContact O-CE1 3.29Å; R279-Y644 WeakPolarHBondContact O-CE1 3.48Å; R279-S697 PolarHBondContact NH1-O 3.1Å
280	L	95.5	Very high	93.8	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.114	C	C	.	.			trans	-146.4	144	177.2	-167	73.3	0	0	0	107.6	L282 N304 E306 F566 L641 Y644	L280-L282 HydrophobicContact CD2-CD1 4.05Å; L280-L282 HydrophobicContact CD2-CD2 4.1Å; L280-L282 HydrophobicContact CD2-CG 4.05Å; L280-L282 HydrophobicContact CG-CD2 4.32Å; L280-L282 HydrophobicContact CG-CG 4.29Å; L280-N304 HydrophobicContact CD1-CB 4.17Å; L280-E306 HydrophobicContact CD1-CB 4.48Å; L280-F566 HydrophobicContact CB-CB 4.29Å; L280-F566 HydrophobicContact CB-CD1 4.05Å; L280-F566 HydrophobicContact CB-CG 4.34Å; L280-F566 CarbonylContact O-C 3.57Å; L280-L641 HydrophobicContact CD2-CD2 3.61Å; L280-Y644 HydrophobicContact CB-CD1 3.91Å; L280-Y644 HydrophobicContact CB-CD2 4.47Å; L280-Y644 HydrophobicContact CB-CE1 4.12Å; L280-Y644 HydrophobicContact CB-CG 4.1Å; L280-Y644 HydrophobicContact CD1-CD2 4.25Å; L280-Y644 HydrophobicContact CD1-CE2 3.98Å; L280-Y644 HydrophobicContact CD2-CD2 4.01Å; L280-Y644 HydrophobicContact CD2-CG 4.11Å; L280-Y644 HydrophobicContact CG-CD2 4.49Å
281	F	97.9	Very high	93.5	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.018	12%	0.118	C	C	.	.			trans	-124.9	100.7	-174.3	-56.8	-62.6	0	0	0	111	H271 A272 N273 Y275 R279 N304 L568 P569	H271-F281 HydrophobicContact CB-CB 4.48Å; A272-F281 WeakPolarHBondContact O-CD2 3.45Å; A272-F281 WeakPolarHBondContact O-CE2 3.27Å; N273-F281 HydrophobicContact CB-CD2 4.04Å; N273-F281 HydrophobicContact CB-CE2 3.9Å; Y275-F281 WeakPolarHBondContact OH-CE2 3.39Å; Y275-F281 WeakPolarHBondContact OH-CZ 3.38Å; R279-F281 HydrophobicContact CB-CE1 4.47Å; R279-F281 HydrophobicContact CB-CE2 4.23Å; R279-F281 HydrophobicContact CB-CZ 3.86Å; F281-N304 PolarHBondContact N-OD1 3.29Å; F281-N304 PolarHBondContact O-ND2 3.04Å; F281-L568 VanDerWaalsContact CD1-C 3.47Å; F281-L568 VanDerWaalsContact CE1-C 3.45Å; F281-P569 HydrophobicContact CE1-CB 4.22Å; F281-P569 HydrophobicContact CZ-CB 4.23Å
282	L	98.3	Very high	93.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.			trans	-111.2	3.5	-179.6	-56.7	-179.8	0	0	0	112	L280 S309 V312 W376 L562 A563 F566 Y567	L280-L282 HydrophobicContact CD2-CD1 4.05Å; L280-L282 HydrophobicContact CD2-CD2 4.1Å; L280-L282 HydrophobicContact CD2-CG 4.05Å; L280-L282 HydrophobicContact CG-CD2 4.32Å; L280-L282 HydrophobicContact CG-CG 4.29Å; L282-S309 VanDerWaalsContact CD2-O 3.23Å; L282-S309 WeakPolarHBondContact CD2-O 3.16Å; L282-V312 VanDerWaalsContact O-CG1 3.32Å; L282-V312 WeakPolarHBondContact O-CG1 3.3Å; L282-W376 HydrophobicContact CD1-CH2 4.44Å; L282-W376 HydrophobicContact CD2-CH2 4.07Å; L282-W376 HydrophobicContact CD2-CZ3 4.49Å; L282-L562 HydrophobicContact CD1-CD1 4.36Å; L282-L562 HydrophobicContact CD1-CD2 3.96Å; L282-L562 HydrophobicContact CD1-CG 3.71Å; L282-A563 HydrophobicContact CB-CB 4.25Å; L282-F566 WeakPolarHBondContact CA-O 3.48Å; L282-F566 WeakPolarHBondContact CB-O 3.29Å; L282-F566 HydrophobicContact CD1-CB 4.07Å; L282-F566 HydrophobicContact CG-CB 4.19Å; L282-F566 PolarHBondContact N-O 2.76Å; L282-Y567 PolarHBondContact N-O 2.85Å
283	G	97.8	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-74	169	172.9	0	0	0	0	0	113.4	H271 Y567	H271-G283 PolarHBondContact NE2-O 3.24Å; G283-Y567 WeakPolarHBondContact CA-O 3.19Å; G283-Y567 PolarHBondContact N-O 2.97Å
284	P	98.3	Very high	93.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-76.5	154.9	-178.6	32.4	-34.4	0	0	0	112.6	K286 T316 P365 L369 Y567	P284-K286 PolarHBondContact O-N 2.84Å; P284-T316 HydrophobicContact CB-CG2 4Å; P284-P365 HydrophobicContact CB-CB 3.96Å; P284-P365 VanDerWaalsContact CB-O 3.27Å; P284-P365 WeakPolarHBondContact CB-O 3.11Å; P284-P365 HydrophobicContact CG-CB 3.61Å; P284-P365 WeakPolarHBondContact CG-O 3.44Å; P284-L369 HydrophobicContact CB-CB 4.08Å; P284-L369 HydrophobicContact CG-CB 4.16Å; P284-Y567 HydrophobicContact CG-CE2 4.41Å
285	Y	98.3	Very high	93.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-53.5	127.8	165.9	-165.6	-111.7	0	0	0	110.8	D268 R288 T316 L317 W320 Y363	D268-Y285 VanDerWaalsContact OD2-CE2 3.29Å; D268-Y285 WeakPolarHBondContact OD2-CE2 3.33Å; D268-Y285 PolarHBondContact OD2-OH 3.42Å; Y285-R288 HydrophobicContact CE1-CB 3.88Å; Y285-R288 HydrophobicContact CE1-CG 4.15Å; Y285-R288 WeakPolarHBondContact OH-CD 3.3Å; Y285-R288 WeakPolarHBondContact OH-CG 3.31Å; Y285-T316 PolarHBondContact N-OG1 3.09Å; Y285-L317 HydrophobicContact CD1-CD1 4.17Å; Y285-L317 HydrophobicContact CD2-CD1 4.35Å; Y285-L317 HydrophobicContact CE1-CD1 3.87Å; Y285-L317 HydrophobicContact CE2-CD1 4.09Å; Y285-L317 HydrophobicContact CG-CB 4.45Å; Y285-L317 HydrophobicContact CG-CD1 4.4Å; Y285-W320 HydrophobicContact CD1-CB 3.92Å; Y285-W320 HydrophobicContact CD1-CD2 4.06Å; Y285-W320 AromaticContact CD1-CG 3.76Å; Y285-W320 HydrophobicContact CD1-CG 3.76Å; Y285-W320 HydrophobicContact CE1-CB 4.47Å; Y285-W320 AromaticContact CE1-CD2 3.69Å; Y285-W320 HydrophobicContact CE1-CD2 3.69Å; Y285-W320 AromaticContact CE1-CE2 3.94Å; Y285-W320 AromaticContact CE1-CE3 3.98Å; Y285-W320 HydrophobicContact CE1-CE3 3.98Å; Y285-W320 AromaticContact CE1-CG 3.91Å; Y285-W320 HydrophobicContact CE1-CG 3.91Å; Y285-W320 HydrophobicContact CE1-CZ2 4.44Å; Y285-W320 HydrophobicContact CE1-CZ3 4.48Å; Y285-Y363 WeakPolarHBondContact O-CE1 3.27Å; Y285-Y363 PolarHBondContact O-OH 3.45Å; Y285-Y363 VanDerWaalsContact O-OH 3.04Å
286	K	96.4	Very high	93.9	Very high	52 Å²	52	21.2 Å²	21.2	23%	0.226	11%	0.106	C	C	.	.			trans	-153.2	158.3	-170	-169.3	-175.4	179.6	-167.9	0	111.3	F270 P284 R288 P365 L568 E571	F270-K286 HydrophobicContact CE1-CB 3.9Å; F270-K286 HydrophobicContact CZ-CB 3.93Å; P284-K286 PolarHBondContact O-N 2.84Å; K286-R288 VanDerWaalsContact C-N 3.34Å; K286-R288 WeakPolarHBondContact O-CD 3.49Å; K286-R288 PolarHBondContact O-N 3.44Å; K286-R288 PolarHBondContact O-NH1 3.45Å; K286-P365 HydrophobicContact CB-CG 4.43Å; K286-P365 HydrophobicContact CG-CG 4.05Å; K286-L568 HydrophobicContact CB-CD1 4.23Å; K286-L568 HydrophobicContact CD-CD1 4.17Å; K286-E571 VanDerWaalsContact CD-OE1 3.29Å; K286-E571 WeakPolarHBondContact CD-OE1 3.27Å; K286-E571 IonicContact NZ-OE1 3.4Å; K286-E571 PolarHBondContact NZ-OE1 3.42Å; K286-E571 IonicContact NZ-OE2 2.76Å; K286-E571 PolarHBondContact NZ-OE2 3.47Å
287	G	95.7	Very high	94.5	Very high	21 Å²	21	22.7 Å²	22.7	22%	0.216	11%	0.112	C	C	.	.	S	Bend	trans	82.2	8.4	175.2	0	0	0	0	0	114.4	D247 I248	D247-G287 CarbonylContact C-O 3.25Å; D247-G287 VanDerWaalsContact CA-O 3.28Å; D247-G287 WeakPolarHBondContact CA-O 3.43Å; D247-G287 VanDerWaalsContact OD1-CA 3.23Å; D247-G287 WeakPolarHBondContact OD1-CA 3.36Å; I248-G287 PolarHBondContact N-O 2.95Å
288	R	96.9	Very high	95.4	Very high	10 Å²	10	15 Å²	15	4%	0.038	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-124.1	111.2	176.9	-68.2	87	175.6	121.1	6.8	107.8	S245 K246 I248 D268 Y285 K286 L292 W320	S245-R288 PolarHBondContact O-NH1 2.83Å; S245-R288 VanDerWaalsContact O-NH1 3.08Å; S245-R288 PolarHBondContact O-NH2 3.39Å; K246-R288 PolarHBondContact O-NH1 3.41Å; I248-R288 HydrophobicContact CB-CG 4.19Å; I248-R288 HydrophobicContact CD1-CG 4.03Å; I248-R288 HydrophobicContact CG1-CG 4.21Å; D268-R288 IonicContact OD1-CZ 2.67Å; D268-R288 IonicContact OD1-NE 2.67Å; D268-R288 PolarHBondContact OD1-NE 2.85Å; D268-R288 IonicContact OD1-NH2 3.98Å; D268-R288 PolarHBondContact OD1-NH2 3.27Å; D268-R288 IonicContact OD2-CZ 3.46Å; D268-R288 IonicContact OD2-NE 3.36Å; D268-R288 PolarHBondContact OD2-NE 3Å; D268-R288 IonicContact OD2-NH2 2.7Å; Y285-R288 HydrophobicContact CE1-CB 3.88Å; Y285-R288 HydrophobicContact CE1-CG 4.15Å; Y285-R288 WeakPolarHBondContact OH-CD 3.3Å; Y285-R288 WeakPolarHBondContact OH-CG 3.31Å; K286-R288 VanDerWaalsContact C-N 3.34Å; K286-R288 WeakPolarHBondContact O-CD 3.49Å; K286-R288 PolarHBondContact O-N 3.44Å; K286-R288 PolarHBondContact O-NH1 3.45Å; R288-L292 HydrophobicContact CB-CD1 3.88Å; R288-L292 HydrophobicContact CG-CD1 4.23Å; R288-W320 HydrophobicContact CB-CZ2 4.15Å; R288-W320 PolarHBondContact O-NE1 3.28Å
289	S	95.3	Very high	96.2	Very high	34 Å²	34	12.5 Å²	12.5	24%	0.238	7%	0.065	C	C	.	.			trans	-69.4	146.9	176	176.5	0	0	0	0	110.8	E291 L292 W320 D360	S289-E291 PolarHBondContact O-N 2.85Å; S289-E291 VanDerWaalsContact O-N 3.12Å; S289-E291 PolarHBondContact OG-N 3.45Å; S289-L292 VanDerWaalsContact O-CB 3.28Å; S289-L292 WeakPolarHBondContact O-CB 3.46Å; S289-L292 VanDerWaalsContact O-CG 3.31Å; S289-L292 WeakPolarHBondContact O-CG 3.48Å; S289-L292 PolarHBondContact O-N 3.05Å; S289-W320 WeakPolarHBondContact O-CZ2 3.47Å; S289-D360 VanDerWaalsContact CA-OD2 3.27Å; S289-D360 WeakPolarHBondContact CA-OD2 3.5Å; S289-D360 WeakPolarHBondContact CB-OD2 3.29Å; S289-D360 PolarHBondContact OG-OD2 3.15Å
290	T	94.4	Very high	96.6	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.018	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-59.2	-18.1	171.4	65.9	0	0	0	0	112.3	L292 I293 S323 N324 D360 L362	T290-L292 PolarHBondContact O-N 2.73Å; T290-I293 WeakPolarHBondContact O-CB 3.23Å; T290-I293 PolarHBondContact O-N 3.28Å; T290-S323 WeakPolarHBondContact CG2-OG 3.48Å; T290-N324 PolarHBondContact O-ND2 3.13Å; T290-D360 WeakPolarHBondContact CG2-OD1 3.41Å; T290-D360 PolarHBondContact N-OD2 3.23Å; T290-D360 PolarHBondContact OG1-OD1 3.37Å; T290-D360 PolarHBondContact OG1-OD2 3.23Å; T290-D360 VanDerWaalsContact OG1-OD2 3.07Å; T290-L362 HydrophobicContact CG2-CB 4.27Å
291	E	92.8	Very high	96.7	Very high	27 Å²	27	11.7 Å²	11.7	13%	0.126	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-66.1	-13.4	169.4	-74.4	-158.2	-128.4	0	0	115.2	V250 S289 P294 R295 K330	V250-E291 HydrophobicContact CG2-CB 4.29Å; S289-E291 PolarHBondContact O-N 2.85Å; S289-E291 VanDerWaalsContact O-N 3.12Å; S289-E291 PolarHBondContact OG-N 3.45Å; E291-P294 WeakPolarHBondContact O-CD 3.43Å; E291-P294 WeakPolarHBondContact O-CG 3.35Å; E291-R295 WeakPolarHBondContact O-CD 3.46Å; E291-R295 PolarHBondContact O-NH1 2.94Å; E291-R295 VanDerWaalsContact O-NH1 3.09Å; E291-R295 IonicContact OE2-NH1 3.53Å; E291-R295 PolarHBondContact OE2-NH1 2.73Å; E291-K330 WeakPolarHBondContact OE1-CD 3.3Å; E291-K330 WeakPolarHBondContact OE1-CE 3.24Å; E291-K330 IonicContact OE1-NZ 3.38Å; E291-K330 PolarHBondContact OE1-NZ 3.01Å
292	L	95.3	Very high	96.8	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-75.5	-29.2	172	-62	176.9	0	0	0	112.1	I248 V250 I253 R288 S289 T290 R295 L296 W320	I248-L292 HydrophobicContact CB-CD1 4.23Å; I248-L292 HydrophobicContact CG2-CD1 4.12Å; V250-L292 HydrophobicContact CB-CD2 4.46Å; V250-L292 HydrophobicContact CG2-CD2 3.94Å; I253-L292 HydrophobicContact CB-CD2 4.36Å; I253-L292 HydrophobicContact CG1-CD2 3.95Å; R288-L292 HydrophobicContact CB-CD1 3.88Å; R288-L292 HydrophobicContact CG-CD1 4.23Å; S289-L292 VanDerWaalsContact O-CB 3.28Å; S289-L292 WeakPolarHBondContact O-CB 3.46Å; S289-L292 VanDerWaalsContact O-CG 3.31Å; S289-L292 WeakPolarHBondContact O-CG 3.48Å; S289-L292 PolarHBondContact O-N 3.05Å; T290-L292 PolarHBondContact O-N 2.73Å; L292-R295 CarbonylContact O-C 3.47Å; L292-R295 WeakPolarHBondContact O-CA 3.39Å; L292-R295 WeakPolarHBondContact O-CB 3.34Å; L292-R295 PolarHBondContact O-N 2.94Å; L292-L296 HydrophobicContact CB-CD1 3.8Å; L292-L296 HydrophobicContact CB-CG 4.22Å; L292-L296 WeakPolarHBondContact O-CB 3.36Å; L292-L296 WeakPolarHBondContact O-CG 3.28Å; L292-L296 PolarHBondContact O-N 3.43Å; L292-W320 HydrophobicContact CB-CZ2 4.49Å
293	I	94.9	Very high	96.8	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.021	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-48.6	-178.1	-62.3	174.8	0	0	0	112.2	F49 T290 R295 W320 Y321 N324	F49-I293 HydrophobicContact CD2-CG2 4.4Å; F49-I293 HydrophobicContact CE2-CG2 4.04Å; F49-I293 WeakPolarHBondContact CE2-O 3.33Å; F49-I293 HydrophobicContact CZ-CG2 4.27Å; T290-I293 WeakPolarHBondContact O-CB 3.23Å; T290-I293 PolarHBondContact O-N 3.28Å; I293-R295 PolarHBondContact O-N 3.26Å; I293-W320 HydrophobicContact CD1-CD2 4.32Å; I293-W320 HydrophobicContact CD1-CE3 4.13Å; I293-W320 HydrophobicContact CD1-CH2 3.97Å; I293-W320 HydrophobicContact CD1-CZ2 4.16Å; I293-W320 HydrophobicContact CD1-CZ3 3.95Å; I293-W320 HydrophobicContact CG1-CE3 4.4Å; I293-W320 HydrophobicContact CG1-CH2 3.38Å; I293-W320 HydrophobicContact CG1-CZ2 3.76Å; I293-W320 HydrophobicContact CG1-CZ3 3.74Å; I293-Y321 HydrophobicContact CD1-CD2 4.42Å; I293-N324 HydrophobicContact CD1-CB 4.21Å; I293-N324 WeakPolarHBondContact CG2-O 3.42Å
294	P	93.7	Very high	96.8	Very high	7 Å²	7	11.7 Å²	11.7	5%	0.045	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12	174.5	24.5	-32.7	0	0	0	115.4	R47 E291 G327 R329	R47-P294 PolarHBondContact NH1-O 3.05Å; R47-P294 PolarHBondContact NH2-O 2.89Å; E291-P294 WeakPolarHBondContact O-CD 3.43Å; E291-P294 WeakPolarHBondContact O-CG 3.35Å; P294-G327 WeakPolarHBondContact CB-O 3.48Å; P294-R329 HydrophobicContact CB-CG 4.12Å; P294-R329 HydrophobicContact CG-CG 3.88Å
295	R	95.8	Very high	96.7	Very high	27 Å²	27	13.1 Å²	13.1	10%	0.102	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-19.5	-178.3	-65.8	172.9	165.2	105.2	-11.9	113.4	V250 I253 E254 A263 E291 L292 I293	V250-R295 VanDerWaalsContact CG1-NE 3.35Å; I253-R295 HydrophobicContact CG2-CB 4.31Å; E254-R295 IonicContact OE1-CZ 3.76Å; E254-R295 IonicContact OE1-NE 2.76Å; E254-R295 PolarHBondContact OE1-NE 2.67Å; E254-R295 IonicContact OE1-NH2 3.11Å; E254-R295 PolarHBondContact OE1-NH2 3.4Å; E254-R295 VanDerWaalsContact OE1-NH2 3.11Å; A263-R295 WeakPolarHBondContact CB-O 3.4Å; E291-R295 WeakPolarHBondContact O-CD 3.46Å; E291-R295 PolarHBondContact O-NH1 2.94Å; E291-R295 VanDerWaalsContact O-NH1 3.09Å; E291-R295 IonicContact OE2-NH1 3.53Å; E291-R295 PolarHBondContact OE2-NH1 2.73Å; L292-R295 CarbonylContact O-C 3.47Å; L292-R295 WeakPolarHBondContact O-CA 3.39Å; L292-R295 WeakPolarHBondContact O-CB 3.34Å; L292-R295 PolarHBondContact O-N 2.94Å; I293-R295 PolarHBondContact O-N 3.26Å
296	L	97.6	Very high	96.7	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.08	C	C	.	.			trans	-99.8	157.5	179.7	-65.3	174.5	0	0	0	112.8	R47 F49 I253 P264 I266 L292 V299	R47-L296 PolarHBondContact NH2-O 2.94Å; F49-L296 HydrophobicContact CE2-CB 4.03Å; F49-L296 HydrophobicContact CZ-CB 4.46Å; I253-L296 HydrophobicContact CD1-CD2 4.22Å; I253-L296 HydrophobicContact CG1-CD2 4.27Å; I253-L296 HydrophobicContact CG2-CD2 3.69Å; P264-L296 HydrophobicContact CG-CD2 3.86Å; I266-L296 HydrophobicContact CD1-CD1 4.44Å; I266-L296 HydrophobicContact CD1-CD2 3.75Å; I266-L296 HydrophobicContact CG1-CD1 3.56Å; I266-L296 HydrophobicContact CG1-CD2 3.68Å; I266-L296 HydrophobicContact CG1-CG 4.24Å; L292-L296 HydrophobicContact CB-CD1 3.8Å; L292-L296 HydrophobicContact CB-CG 4.22Å; L292-L296 WeakPolarHBondContact O-CB 3.36Å; L292-L296 WeakPolarHBondContact O-CG 3.28Å; L292-L296 PolarHBondContact O-N 3.43Å; L296-V299 HydrophobicContact CD1-CG2 3.92Å
297	K	97.6	Very high	96.7	Very high	50 Å²	50	12.7 Å²	12.7	22%	0.217	7%	0.07	C	C	.	.	S	Bend	trans	-85.6	-25.6	167.4	174.8	60.5	173.5	162.5	0	111.9	K48 F49 I50 D235 A263 P264 V265	K48-K297 PolarHBondContact O-NZ 2.87Å; F49-K297 WeakPolarHBondContact CA-O 3.4Å; I50-K297 PolarHBondContact N-O 2.9Å; D235-K297 HydrophobicContact CB-CG 4.42Å; D235-K297 WeakPolarHBondContact OD1-CG 3.42Å; D235-K297 WeakPolarHBondContact OD2-CE 3.42Å; D235-K297 WeakPolarHBondContact OD2-CG 3.31Å; D235-K297 IonicContact OD2-NZ 3.53Å; A263-K297 HydrophobicContact CB-CB 4.39Å; P264-K297 PolarHBondContact O-N 2.92Å; V265-K297 HydrophobicContact CG2-CB 3.79Å; V265-K297 HydrophobicContact CG2-CG 3.6Å
298	G	98.1	Very high	96.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-179.7	174.7	0	0	0	0	0	114.7	I50 I266	I50-G298 CarbonylContact O-C 3.29Å; I50-G298 WeakPolarHBondContact O-CA 3.41Å; I266-G298 PolarHBondContact N-O 3Å
299	V	98.8	Very high	96.8	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.012	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	124.9	168.9	-178.2	0	0	0	0	109.3	F49 I50 S51 G52 I266 D268 L296 L317 W320	F49-V299 HydrophobicContact CZ-CG2 4.22Å; I50-V299 PolarHBondContact O-N 3.19Å; S51-V299 WeakPolarHBondContact CA-O 3.11Å; G52-V299 PolarHBondContact N-O 2.97Å; G52-V299 VanDerWaalsContact N-O 3.14Å; I266-V299 HydrophobicContact CB-CG1 4.38Å; I266-V299 HydrophobicContact CB-CG2 4.21Å; I266-V299 HydrophobicContact CG1-CG2 4.44Å; D268-V299 HydrophobicContact CB-CG1 4.33Å; L296-V299 HydrophobicContact CD1-CG2 3.92Å; V299-L317 HydrophobicContact CB-CD1 4.42Å; V299-L317 HydrophobicContact CG1-CD1 3.86Å; V299-W320 HydrophobicContact CG2-CH2 3.89Å; V299-W320 HydrophobicContact CG2-CZ3 3.81Å
300	L	98.9	Very high	97	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.7	170.8	-64.4	174.4	0	0	0	108	I50 G52 V54 T81 L83 L202 V265 I266 W267 D268	I50-L300 HydrophobicContact CG2-CD1 4.13Å; I50-L300 HydrophobicContact CG2-CD2 3.68Å; I50-L300 HydrophobicContact CG2-CG 3.79Å; G52-L300 WeakPolarHBondContact O-CA 3.24Å; V54-L300 HydrophobicContact CB-CB 4.29Å; V54-L300 HydrophobicContact CG1-CB 4.16Å; T81-L300 HydrophobicContact CG2-CD2 3.89Å; L83-L300 HydrophobicContact CB-CD1 3.94Å; L83-L300 HydrophobicContact CD2-CD1 3.82Å; L202-L300 HydrophobicContact CD1-CD1 4.34Å; V265-L300 HydrophobicContact CG1-CD1 4.26Å; V265-L300 HydrophobicContact CG1-CG 4.27Å; I266-L300 PolarHBondContact O-N 2.94Å; W267-L300 CarbonylContact C-O 3.52Å; W267-L300 WeakPolarHBondContact CA-O 3.4Å; D268-L300 PolarHBondContact N-O 3.45Å
301	T	98.7	Very high	97.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	136	174.3	-176.6	0	0	0	0	110.9	G52 V53 V54 D268 P303 L317	G52-T301 PolarHBondContact O-N 2.85Å; V53-T301 WeakPolarHBondContact CA-O 3.46Å; V53-T301 HydrophobicContact CG2-CG2 3.98Å; V54-T301 WeakPolarHBondContact CG1-O 3.18Å; V54-T301 PolarHBondContact N-O 3.46Å; D268-T301 WeakPolarHBondContact O-CA 3.45Å; D268-T301 PolarHBondContact O-OG1 3.43Å; T301-P303 WeakPolarHBondContact O-CD 3.46Å; T301-L317 HydrophobicContact CG2-CD2 3.66Å
302	N	98.6	Very high	97.4	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	4%	0.041	C	C	.	.			trans	-97.2	104.3	161	-170	38.8	0	0	0	106.8	V54 G56 F57 D268 N269 A272	V54-N302 HydrophobicContact CG1-CB 3.74Å; V54-N302 PolarHBondContact O-OD1 3.5Å; G56-N302 WeakPolarHBondContact CA-OD1 3.02Å; G56-N302 PolarHBondContact N-OD1 2.99Å; G56-N302 VanDerWaalsContact N-OD1 3.13Å; F57-N302 PolarHBondContact N-OD1 3.41Å; F57-N302 VanDerWaalsContact N-OD1 3.11Å; D268-N302 PolarHBondContact O-N 3.44Å; N269-N302 WeakPolarHBondContact OD1-CB 3.34Å; N269-N302 PolarHBondContact OD1-ND2 2.76Å; A272-N302 PolarHBondContact N-O 3.2Å
303	P	98.3	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.			trans	-97.9	-163.3	-169.9	42.8	-38	0	0	0	110.9	V53 W62 H271 T301 N310	V53-P303 HydrophobicContact CG1-CG 4.24Å; W62-P303 HydrophobicContact CH2-CG 3.71Å; W62-P303 HydrophobicContact CZ2-CG 3.99Å; H271-P303 HydrophobicContact CB-CB 4.32Å; H271-P303 CarbonylContact O-C 3.4Å; H271-P303 VanDerWaalsContact O-C 3.23Å; T301-P303 WeakPolarHBondContact O-CD 3.46Å; P303-N310 HydrophobicContact CB-CB 4.21Å; P303-N310 WeakPolarHBondContact CB-OD1 3.36Å; P303-N310 HydrophobicContact CG-CB 4.37Å
304	N	98.4	Very high	97.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.			trans	-65.3	154.8	179.9	-47.4	-95	0	0	0	110.9	H271 N273 L280 F281 E306 S309 N310	H271-N304 VanDerWaalsContact O-CG 3.27Å; H271-N304 PolarHBondContact O-N 3.42Å; H271-N304 PolarHBondContact O-OD1 3.44Å; N273-N304 WeakPolarHBondContact OD1-CA 3.32Å; N273-N304 WeakPolarHBondContact OD1-CB 3.3Å; L280-N304 HydrophobicContact CD1-CB 4.17Å; F281-N304 PolarHBondContact N-OD1 3.29Å; F281-N304 PolarHBondContact O-ND2 3.04Å; N304-E306 VanDerWaalsContact C-N 3.32Å; N304-E306 PolarHBondContact O-N 2.84Å; N304-S309 WeakPolarHBondContact CB-OG 3.14Å; N304-S309 PolarHBondContact ND2-OG 3.41Å; N304-N310 WeakPolarHBondContact CA-OD1 3.3Å; N304-N310 VanDerWaalsContact CB-OD1 3.27Å; N304-N310 WeakPolarHBondContact CB-OD1 3.48Å; N304-N310 PolarHBondContact N-OD1 3.01Å; N304-N310 PolarHBondContact ND2-OD1 3.05Å; N304-N310 PolarHBondContact O-ND2 2.96Å
305	C	97	Very high	98	Very high	29 Å²	29	8.5 Å²	8.5	20%	0.196	4%	0.041	C	C	.	.	S	Bend	trans	-61.4	-40.6	174.1	-61.4	0	0	0	0	112	F57 W62 N273 F307	F57-C305 HydrophobicContact CD2-CB 4.35Å; F57-C305 HydrophobicContact CE2-CB 4.35Å; W62-C305 PolarHBondContact NE1-O 3.16Å; N273-C305 PolarHBondContact OD1-N 2.85Å; C305-F307 PolarHBondContact O-N 2.93Å
306	E	97	Very high	98.2	Very high	41 Å²	41	7.2 Å²	7.2	19%	0.192	4%	0.036	C	C	.	.	S	Bend	trans	-69.4	108.2	179.1	-68.5	78.9	-176.3	0	0	111.2	N273 L280 N304 E308 S309 N310 D640 Y644	N273-E306 PolarHBondContact ND2-OE2 3.26Å; L280-E306 HydrophobicContact CD1-CB 4.48Å; N304-E306 VanDerWaalsContact C-N 3.32Å; N304-E306 PolarHBondContact O-N 2.84Å; E306-E308 PolarHBondContact O-N 3.15Å; E306-S309 WeakPolarHBondContact O-CB 3.46Å; E306-S309 PolarHBondContact O-N 3.03Å; E306-S309 PolarHBondContact O-OG 2.76Å; E306-N310 PolarHBondContact O-ND2 2.74Å; E306-D640 HydrophobicContact CB-CB 4.09Å; E306-D640 HydrophobicContact CG-CB 4.46Å; E306-Y644 VanDerWaalsContact CD-OH 3.23Å; E306-Y644 HydrophobicContact CG-CE2 4.03Å; E306-Y644 WeakPolarHBondContact OE1-CE2 3.27Å; E306-Y644 PolarHBondContact OE1-OH 3.11Å; E306-Y644 PolarHBondContact OE2-OH 2.81Å
307	F	97.9	Very high	98.2	Very high	5 Å²	5	7.3 Å²	7.3	2%	0.022	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-54.1	-48.5	-169	178.8	-105.4	0	0	0	113.9	W62 Q66 E69 L70 C305 S309 N310 D640	W62-F307 AromaticContact CD2-CD2 3.98Å; W62-F307 HydrophobicContact CD2-CD2 3.98Å; W62-F307 AromaticContact CE2-CD2 3.97Å; W62-F307 HydrophobicContact CE3-CD2 4.48Å; W62-F307 HydrophobicContact CG-CD2 4.18Å; W62-F307 HydrophobicContact CZ2-CD2 4.47Å; Q66-F307 HydrophobicContact CB-CD1 4.02Å; Q66-F307 HydrophobicContact CB-CD2 3.83Å; Q66-F307 HydrophobicContact CB-CE1 4.16Å; Q66-F307 HydrophobicContact CB-CE2 3.99Å; Q66-F307 HydrophobicContact CB-CG 3.85Å; Q66-F307 HydrophobicContact CB-CZ 4.15Å; Q66-F307 HydrophobicContact CG-CB 4.2Å; Q66-F307 HydrophobicContact CG-CD1 3.76Å; Q66-F307 HydrophobicContact CG-CD2 4.31Å; Q66-F307 HydrophobicContact CG-CE1 4.24Å; Q66-F307 HydrophobicContact CG-CG 3.8Å; Q66-F307 VanDerWaalsContact NE2-CB 3.33Å; Q66-F307 VanDerWaalsContact O-CE2 3.3Å; Q66-F307 WeakPolarHBondContact O-CE2 3.16Å; Q66-F307 WeakPolarHBondContact O-CZ 3.48Å; E69-F307 HydrophobicContact CB-CE1 4.37Å; E69-F307 HydrophobicContact CB-CZ 4.19Å; E69-F307 HydrophobicContact CG-CE1 3.96Å; E69-F307 HydrophobicContact CG-CZ 4.01Å; L70-F307 HydrophobicContact CB-CE2 4.02Å; L70-F307 HydrophobicContact CB-CZ 4.29Å; C305-F307 PolarHBondContact O-N 2.93Å; F307-S309 VanDerWaalsContact C-N 3.3Å; F307-S309 PolarHBondContact O-N 3.31Å; F307-N310 WeakPolarHBondContact O-CB 3.29Å; F307-N310 PolarHBondContact O-N 3.46Å; F307-D640 PolarHBondContact N-OD2 3.49Å
308	E	96.9	Very high	98.2	Very high	2 Å²	2	5 Å²	5	1%	0.009	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-75.2	-19.2	-173.3	-69.1	-61.6	174.9	0	0	113.6	R73 E306 N310 W376 T636 I637 D640	R73-E308 IonicContact CZ-OE2 3.72Å; R73-E308 IonicContact NH1-OE2 2.62Å; R73-E308 PolarHBondContact NH1-OE2 3.21Å; R73-E308 IonicContact NH2-OE1 3.33Å; R73-E308 PolarHBondContact NH2-OE1 3.18Å; R73-E308 IonicContact NH2-OE2 3.02Å; R73-E308 PolarHBondContact NH2-OE2 3.18Å; E306-E308 PolarHBondContact O-N 3.15Å; E308-N310 PolarHBondContact O-N 3.32Å; E308-W376 WeakPolarHBondContact O-CZ2 3.23Å; E308-T636 HydrophobicContact CG-CG2 4Å; E308-I637 HydrophobicContact CB-CB 4.31Å; E308-I637 HydrophobicContact CB-CG1 3.94Å; E308-I637 HydrophobicContact CB-CG2 4.42Å; E308-I637 HydrophobicContact CG-CG1 3.93Å; E308-D640 HydrophobicContact CB-CB 4.34Å; E308-D640 PolarHBondContact N-OD2 2.96Å
309	S	97.2	Very high	98.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-65.7	-23.5	174.1	76.4	0	0	0	0	112.6	L282 N304 E306 F307 F311	L282-S309 VanDerWaalsContact CD2-O 3.23Å; L282-S309 WeakPolarHBondContact CD2-O 3.16Å; N304-S309 WeakPolarHBondContact CB-OG 3.14Å; N304-S309 PolarHBondContact ND2-OG 3.41Å; E306-S309 WeakPolarHBondContact O-CB 3.46Å; E306-S309 PolarHBondContact O-N 3.03Å; E306-S309 PolarHBondContact O-OG 2.76Å; F307-S309 VanDerWaalsContact C-N 3.3Å; F307-S309 PolarHBondContact O-N 3.31Å; S309-F311 PolarHBondContact O-N 2.93Å
310	N	98.5	Very high	98.2	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-79.4	0.8	-170.3	-62.3	-38.5	0	0	0	114.7	W62 P303 N304 E306 F307 E308 V312 A313 I314	W62-N310 WeakPolarHBondContact CZ2-ND2 3.23Å; P303-N310 HydrophobicContact CB-CB 4.21Å; P303-N310 WeakPolarHBondContact CB-OD1 3.36Å; P303-N310 HydrophobicContact CG-CB 4.37Å; N304-N310 WeakPolarHBondContact CA-OD1 3.3Å; N304-N310 VanDerWaalsContact CB-OD1 3.27Å; N304-N310 WeakPolarHBondContact CB-OD1 3.48Å; N304-N310 PolarHBondContact N-OD1 3.01Å; N304-N310 PolarHBondContact ND2-OD1 3.05Å; N304-N310 PolarHBondContact O-ND2 2.96Å; E306-N310 PolarHBondContact O-ND2 2.74Å; F307-N310 WeakPolarHBondContact O-CB 3.29Å; F307-N310 PolarHBondContact O-N 3.46Å; E308-N310 PolarHBondContact O-N 3.32Å; N310-V312 VanDerWaalsContact C-N 3.33Å; N310-V312 PolarHBondContact O-N 3.47Å; N310-A313 PolarHBondContact O-N 2.98Å; N310-I314 HydrophobicContact CB-CD1 3.86Å; N310-I314 HydrophobicContact CB-CG1 4.38Å; N310-I314 VanDerWaalsContact O-CG1 3.32Å; N310-I314 WeakPolarHBondContact O-CG1 3.37Å; N310-I314 PolarHBondContact O-N 3.47Å; N310-I314 VanDerWaalsContact O-N 3.07Å
311	F	98.6	Very high	98	Very high	1 Å²	1	7.2 Å²	7.2	0%	0.004	4%	0.039	C	C	.	.	H	α-helix	trans	-53.7	-48.9	179.6	-166.4	-74.6	0	0	0	111.6	W77 S309 H315 A372 E375 W376 E379	W77-F311 HydrophobicContact CH2-CD1 4.16Å; W77-F311 AromaticContact CH2-CD2 3.96Å; W77-F311 HydrophobicContact CH2-CD2 3.96Å; W77-F311 HydrophobicContact CH2-CE1 4.21Å; W77-F311 HydrophobicContact CH2-CE2 4.03Å; W77-F311 HydrophobicContact CH2-CG 4.04Å; W77-F311 HydrophobicContact CH2-CZ 4.17Å; W77-F311 HydrophobicContact CZ2-CD1 4.2Å; W77-F311 HydrophobicContact CZ2-CD2 4.2Å; W77-F311 AromaticContact CZ2-CE1 3.79Å; W77-F311 HydrophobicContact CZ2-CE1 3.79Å; W77-F311 AromaticContact CZ2-CE2 3.79Å; W77-F311 HydrophobicContact CZ2-CE2 3.79Å; W77-F311 HydrophobicContact CZ2-CG 4.4Å; W77-F311 AromaticContact CZ2-CZ 3.59Å; W77-F311 HydrophobicContact CZ2-CZ 3.59Å; S309-F311 PolarHBondContact O-N 2.93Å; F311-H315 WeakPolarHBondContact O-CB 3.37Å; F311-H315 PolarHBondContact O-N 3.31Å; F311-A372 WeakPolarHBondContact CE1-O 3.29Å; F311-E375 HydrophobicContact CE1-CB 4.15Å; F311-E375 HydrophobicContact CE1-CG 4.48Å; F311-E375 HydrophobicContact CZ-CB 4.2Å; F311-E375 HydrophobicContact CZ-CG 4.1Å; F311-W376 HydrophobicContact CB-CD2 4.11Å; F311-W376 HydrophobicContact CB-CG 3.99Å; F311-W376 HydrophobicContact CD1-CB 3.56Å; F311-W376 AromaticContact CD1-CD1 3.86Å; F311-W376 HydrophobicContact CD1-CD2 4.47Å; F311-W376 AromaticContact CD1-CG 3.71Å; F311-W376 HydrophobicContact CD1-CG 3.71Å; F311-W376 HydrophobicContact CD2-CB 4.49Å; F311-W376 AromaticContact CD2-CD1 3.39Å; F311-W376 HydrophobicContact CD2-CG 4.09Å; F311-W376 AromaticContact CD2-NE1 3.94Å; F311-W376 HydrophobicContact CE1-CB 3.58Å; F311-W376 HydrophobicContact CE1-CG 4.15Å; F311-W376 HydrophobicContact CE2-CB 4.5Å; F311-W376 AromaticContact CE2-CD1 3.87Å; F311-W376 HydrophobicContact CE2-CG 4.48Å; F311-W376 HydrophobicContact CG-CB 4.04Å; F311-W376 AromaticContact CG-CD1 3.37Å; F311-W376 HydrophobicContact CG-CD2 4.31Å; F311-W376 AromaticContact CG-CG 3.67Å; F311-W376 HydrophobicContact CG-CG 3.67Å; F311-W376 AromaticContact CG-NE1 3.85Å; F311-W376 HydrophobicContact CZ-CB 4.05Å; F311-W376 HydrophobicContact CZ-CG 4.5Å; F311-E379 HydrophobicContact CD2-CG 4.48Å; F311-E379 HydrophobicContact CE2-CG 3.76Å; F311-E379 HydrophobicContact CZ-CG 4.41Å
312	V	98.6	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.2	-43.9	-179.2	-176.9	0	0	0	0	112	L282 N310 I314 H315 T316 L369 A372 L373 W376	L282-V312 VanDerWaalsContact O-CG1 3.32Å; L282-V312 WeakPolarHBondContact O-CG1 3.3Å; N310-V312 VanDerWaalsContact C-N 3.33Å; N310-V312 PolarHBondContact O-N 3.47Å; V312-I314 PolarHBondContact O-N 3.03Å; V312-H315 PolarHBondContact O-N 3.13Å; V312-T316 HydrophobicContact CG1-CG2 3.85Å; V312-T316 VanDerWaalsContact O-CB 3.32Å; V312-T316 WeakPolarHBondContact O-CB 3.14Å; V312-T316 VanDerWaalsContact O-CG2 3.28Å; V312-T316 WeakPolarHBondContact O-CG2 3.45Å; V312-T316 PolarHBondContact O-N 3.32Å; V312-T316 PolarHBondContact O-OG1 3.49Å; V312-L369 HydrophobicContact CG1-CD1 3.65Å; V312-A372 HydrophobicContact CB-CB 4.48Å; V312-A372 HydrophobicContact CG1-CB 4.11Å; V312-A372 HydrophobicContact CG2-CB 4.38Å; V312-L373 HydrophobicContact CG2-CD2 3.64Å; V312-W376 HydrophobicContact CG2-CE3 4.11Å; V312-W376 HydrophobicContact CG2-CZ3 4.35Å
313	A	98.5	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.1	-50.3	-179.9	0	0	0	0	0	111.5	H271 N310 T316 L317	H271-A313 HydrophobicContact CB-CB 3.98Å; N310-A313 PolarHBondContact O-N 2.98Å; A313-T316 PolarHBondContact O-OG1 2.92Å; A313-L317 WeakPolarHBondContact O-CB 3.46Å; A313-L317 PolarHBondContact O-N 3.01Å; A313-L317 VanDerWaalsContact O-N 3.07Å
314	I	98.8	Very high	97	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-74.4	-40.5	-176	-56.5	166	0	0	0	111.3	V53 L70 W77 L79 N310 V312 A318	V53-I314 HydrophobicContact CG2-CD1 3.89Å; V53-I314 HydrophobicContact CG2-CG1 3.83Å; V53-I314 HydrophobicContact CG2-CG2 4.16Å; L70-I314 HydrophobicContact CD1-CD1 3.72Å; W77-I314 HydrophobicContact CE3-CB 4.37Å; W77-I314 HydrophobicContact CE3-CG2 3.79Å; W77-I314 HydrophobicContact CZ3-CB 3.88Å; W77-I314 HydrophobicContact CZ3-CG2 3.7Å; L79-I314 HydrophobicContact CD1-CG2 3.49Å; L79-I314 VanDerWaalsContact CD1-CG2 3.49Å; N310-I314 HydrophobicContact CB-CD1 3.86Å; N310-I314 HydrophobicContact CB-CG1 4.38Å; N310-I314 VanDerWaalsContact O-CG1 3.32Å; N310-I314 WeakPolarHBondContact O-CG1 3.37Å; N310-I314 PolarHBondContact O-N 3.47Å; N310-I314 VanDerWaalsContact O-N 3.07Å; V312-I314 PolarHBondContact O-N 3.03Å; I314-A318 WeakPolarHBondContact O-CB 3.22Å; I314-A318 PolarHBondContact O-N 3.3Å
315	H	98.8	Very high	96.2	Very high	11 Å²	11	18.4 Å²	18.4	5%	0.051	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-43.8	177.2	-173.2	-61.4	0	0	0	112.2	W77 F311 V312 A318 T319 A372 E375	W77-H315 HydrophobicContact CD2-CB 4.39Å; W77-H315 AromaticContact CE2-CD2 3.52Å; W77-H315 HydrophobicContact CE3-CB 4.43Å; W77-H315 HydrophobicContact CH2-CB 4.17Å; W77-H315 HydrophobicContact CZ2-CB 4.14Å; W77-H315 AromaticContact CZ2-CD2 3.72Å; W77-H315 HydrophobicContact CZ3-CB 4.32Å; W77-H315 AromaticContact NE1-CD2 3.41Å; W77-H315 PolarHBondContact NE1-CD2 2.86Å; W77-H315 AromaticContact NE1-NE2 3.94Å; F311-H315 WeakPolarHBondContact O-CB 3.37Å; F311-H315 PolarHBondContact O-N 3.31Å; V312-H315 PolarHBondContact O-N 3.13Å; H315-A318 PolarHBondContact O-N 3.38Å; H315-T319 WeakPolarHBondContact O-CB 3.38Å; H315-T319 PolarHBondContact O-N 3.43Å; H315-T319 PolarHBondContact O-OG1 3.46Å; H315-A372 HydrophobicContact CB-CB 3.96Å; H315-E375 IonicContact CD2-OE1 2.69Å; H315-E375 IonicContact CD2-OE2 2.63Å; H315-E375 PolarHBondContact CD2-OE2 3.37Å; H315-E375 IonicContact CE1-OE2 2.72Å; H315-E375 IonicContact NE2-OE2 3.53Å; H315-E375 PolarHBondContact NE2-OE2 3.02Å
316	T	98.7	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-74	-31.8	-179.4	60.3	0	0	0	0	112.7	P284 Y285 V312 A313 T319 W320 Y363 A368 A372	P284-T316 HydrophobicContact CB-CG2 4Å; Y285-T316 PolarHBondContact N-OG1 3.09Å; V312-T316 HydrophobicContact CG1-CG2 3.85Å; V312-T316 VanDerWaalsContact O-CB 3.32Å; V312-T316 WeakPolarHBondContact O-CB 3.14Å; V312-T316 VanDerWaalsContact O-CG2 3.28Å; V312-T316 WeakPolarHBondContact O-CG2 3.45Å; V312-T316 PolarHBondContact O-N 3.32Å; V312-T316 PolarHBondContact O-OG1 3.49Å; A313-T316 PolarHBondContact O-OG1 2.92Å; T316-T319 PolarHBondContact O-N 3.5Å; T316-W320 WeakPolarHBondContact O-CB 3.39Å; T316-W320 PolarHBondContact O-N 2.92Å; T316-Y363 PolarHBondContact O-OH 2.68Å; T316-A368 HydrophobicContact CG2-CB 3.94Å; T316-A372 HydrophobicContact CG2-CB 3.94Å
317	L	98.6	Very high	93.7	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-46.4	166.5	173.3	64.2	0	0	0	111.9	Y285 V299 T301 A313 T319 W320 Y321	Y285-L317 HydrophobicContact CD1-CD1 4.17Å; Y285-L317 HydrophobicContact CD2-CD1 4.35Å; Y285-L317 HydrophobicContact CE1-CD1 3.87Å; Y285-L317 HydrophobicContact CE2-CD1 4.09Å; Y285-L317 HydrophobicContact CG-CB 4.45Å; Y285-L317 HydrophobicContact CG-CD1 4.4Å; V299-L317 HydrophobicContact CB-CD1 4.42Å; V299-L317 HydrophobicContact CG1-CD1 3.86Å; T301-L317 HydrophobicContact CG2-CD2 3.66Å; A313-L317 WeakPolarHBondContact O-CB 3.46Å; A313-L317 PolarHBondContact O-N 3.01Å; A313-L317 VanDerWaalsContact O-N 3.07Å; L317-T319 VanDerWaalsContact C-N 3.3Å; L317-T319 PolarHBondContact O-N 2.79Å; L317-W320 HydrophobicContact CD1-CE3 4.06Å; L317-W320 HydrophobicContact CD1-CZ3 4.48Å; L317-W320 WeakPolarHBondContact O-CB 3.41Å; L317-W320 PolarHBondContact O-N 3.48Å; L317-Y321 PolarHBondContact O-N 2.83Å
318	A	98.3	Very high	92.3	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.9	0	0	0	0	0	111.6	W77 L79 I314 H315 Y321 K322	W77-A318 HydrophobicContact CB-CB 3.71Å; L79-A318 HydrophobicContact CD1-CB 3.97Å; L79-A318 HydrophobicContact CD2-CB 4.06Å; L79-A318 HydrophobicContact CG-CB 3.82Å; I314-A318 WeakPolarHBondContact O-CB 3.22Å; I314-A318 PolarHBondContact O-N 3.3Å; H315-A318 PolarHBondContact O-N 3.38Å; A318-Y321 PolarHBondContact O-N 3.39Å; A318-K322 WeakPolarHBondContact O-CB 3.48Å; A318-K322 WeakPolarHBondContact O-CE 3.27Å; A318-K322 WeakPolarHBondContact O-CG 3.45Å; A318-K322 PolarHBondContact O-N 3.37Å
319	T	97.9	Very high	90.8	Very high	31 Å²	31	30.8 Å²	30.8	19%	0.19	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-41.4	175.7	-60.3	0	0	0	0	111.7	H315 T316 L317 S323 Y363 A368	H315-T319 WeakPolarHBondContact O-CB 3.38Å; H315-T319 PolarHBondContact O-N 3.43Å; H315-T319 PolarHBondContact O-OG1 3.46Å; T316-T319 PolarHBondContact O-N 3.5Å; L317-T319 VanDerWaalsContact C-N 3.3Å; L317-T319 PolarHBondContact O-N 2.79Å; T319-S323 PolarHBondContact O-N 3.26Å; T319-Y363 HydrophobicContact CG2-CD2 4.44Å; T319-Y363 HydrophobicContact CG2-CE2 4.12Å; T319-A368 HydrophobicContact CG2-CB 4Å
320	W	97.5	Very high	88.9	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-50.7	172.3	174.1	89.9	0	0	0	111.9	Y285 R288 S289 L292 I293 V299 T316 L317 K322 S323 Y363	Y285-W320 HydrophobicContact CD1-CB 3.92Å; Y285-W320 HydrophobicContact CD1-CD2 4.06Å; Y285-W320 AromaticContact CD1-CG 3.76Å; Y285-W320 HydrophobicContact CD1-CG 3.76Å; Y285-W320 HydrophobicContact CE1-CB 4.47Å; Y285-W320 AromaticContact CE1-CD2 3.69Å; Y285-W320 HydrophobicContact CE1-CD2 3.69Å; Y285-W320 AromaticContact CE1-CE2 3.94Å; Y285-W320 AromaticContact CE1-CE3 3.98Å; Y285-W320 HydrophobicContact CE1-CE3 3.98Å; Y285-W320 AromaticContact CE1-CG 3.91Å; Y285-W320 HydrophobicContact CE1-CG 3.91Å; Y285-W320 HydrophobicContact CE1-CZ2 4.44Å; Y285-W320 HydrophobicContact CE1-CZ3 4.48Å; R288-W320 HydrophobicContact CB-CZ2 4.15Å; R288-W320 PolarHBondContact O-NE1 3.28Å; S289-W320 WeakPolarHBondContact O-CZ2 3.47Å; L292-W320 HydrophobicContact CB-CZ2 4.49Å; I293-W320 HydrophobicContact CD1-CD2 4.32Å; I293-W320 HydrophobicContact CD1-CE3 4.13Å; I293-W320 HydrophobicContact CD1-CH2 3.97Å; I293-W320 HydrophobicContact CD1-CZ2 4.16Å; I293-W320 HydrophobicContact CD1-CZ3 3.95Å; I293-W320 HydrophobicContact CG1-CE3 4.4Å; I293-W320 HydrophobicContact CG1-CH2 3.38Å; I293-W320 HydrophobicContact CG1-CZ2 3.76Å; I293-W320 HydrophobicContact CG1-CZ3 3.74Å; V299-W320 HydrophobicContact CG2-CH2 3.89Å; V299-W320 HydrophobicContact CG2-CZ3 3.81Å; T316-W320 WeakPolarHBondContact O-CB 3.39Å; T316-W320 PolarHBondContact O-N 2.92Å; L317-W320 HydrophobicContact CD1-CE3 4.06Å; L317-W320 HydrophobicContact CD1-CZ3 4.48Å; L317-W320 WeakPolarHBondContact O-CB 3.41Å; L317-W320 PolarHBondContact O-N 3.48Å; W320-K322 PolarHBondContact O-N 2.85Å; W320-S323 WeakPolarHBondContact O-CB 3.44Å; W320-S323 PolarHBondContact O-N 3.27Å; W320-S323 VanDerWaalsContact O-N 3.13Å; W320-S323 PolarHBondContact O-OG 3.42Å; W320-Y363 VanDerWaalsContact CA-CD2 3.49Å; W320-Y363 HydrophobicContact CB-CD2 3.88Å; W320-Y363 HydrophobicContact CB-CE1 4.42Å; W320-Y363 HydrophobicContact CB-CE2 3.64Å; W320-Y363 HydrophobicContact CB-CG 4.35Å; W320-Y363 AromaticContact CD1-CD1 3.84Å; W320-Y363 AromaticContact CD1-CG 3.93Å
321	Y	95.4	Very high	86.7	Confident	18 Å²	18	40.2 Å²	40.2	7%	0.071	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-44.8	-179.4	171.9	-123.7	0	0	0	112.3	F49 I293 L317 A318 S323 M325	F49-Y321 HydrophobicContact CB-CE2 4.26Å; F49-Y321 AromaticContact CD1-CD2 3.81Å; F49-Y321 HydrophobicContact CD1-CD2 3.81Å; F49-Y321 AromaticContact CD1-CE2 3.27Å; F49-Y321 HydrophobicContact CD1-CE2 3.27Å; F49-Y321 AromaticContact CD1-CZ 3.92Å; F49-Y321 AromaticContact CE1-CD2 3.71Å; F49-Y321 HydrophobicContact CE1-CD2 3.71Å; F49-Y321 AromaticContact CE1-CE2 3.68Å; F49-Y321 HydrophobicContact CE1-CE2 3.68Å; F49-Y321 AromaticContact CG-CE2 3.9Å; F49-Y321 HydrophobicContact CG-CE2 3.9Å; I293-Y321 HydrophobicContact CD1-CD2 4.42Å; L317-Y321 PolarHBondContact O-N 2.83Å; A318-Y321 PolarHBondContact O-N 3.39Å; Y321-S323 PolarHBondContact O-N 2.98Å; Y321-M325 HydrophobicContact CE1-CG 4.12Å; Y321-M325 HydrophobicContact CE1-SD 3.83Å; Y321-M325 HydrophobicContact CE2-CG 3.96Å; Y321-M325 WeakPolarHBondContact O-CA 3.34Å; Y321-M325 PolarHBondContact O-N 3.35Å; Y321-M325 VanDerWaalsContact O-N 3.15Å
322	K	93.6	Very high	84.3	Confident	103 Å²	103	44.1 Å²	44.1	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-24.3	178.8	-74.1	177.1	-64.4	-162.9	0	113.8	W77 A318 W320 N324	W77-K322 WeakPolarHBondContact O-CE 3.42Å; W77-K322 PolarHBondContact O-NZ 2.98Å; A318-K322 WeakPolarHBondContact O-CB 3.48Å; A318-K322 WeakPolarHBondContact O-CE 3.27Å; A318-K322 WeakPolarHBondContact O-CG 3.45Å; A318-K322 PolarHBondContact O-N 3.37Å; W320-K322 PolarHBondContact O-N 2.85Å; K322-N324 PolarHBondContact O-N 3.11Å
323	S	92.3	Very high	81.9	Confident	35 Å²	35	48.1 Å²	48.1	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-28.7	-177.1	72.9	0	0	0	0	114.7	T290 T319 W320 Y321 L362	T290-S323 WeakPolarHBondContact CG2-OG 3.48Å; T319-S323 PolarHBondContact O-N 3.26Å; W320-S323 WeakPolarHBondContact O-CB 3.44Å; W320-S323 PolarHBondContact O-N 3.27Å; W320-S323 VanDerWaalsContact O-N 3.13Å; W320-S323 PolarHBondContact O-OG 3.42Å; Y321-S323 PolarHBondContact O-N 2.98Å; S323-L362 VanDerWaalsContact CB-O 3.32Å; S323-L362 WeakPolarHBondContact CB-O 3.5Å
324	N	88.1	Confident	79.2	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.053	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	41.3	174.1	-167.5	12.6	0	0	0	111.9	T290 I293 K322 N326 G327 V328 L362	T290-N324 PolarHBondContact O-ND2 3.13Å; I293-N324 HydrophobicContact CD1-CB 4.21Å; I293-N324 WeakPolarHBondContact CG2-O 3.42Å; K322-N324 PolarHBondContact O-N 3.11Å; N324-N326 PolarHBondContact O-N 3.04Å; N324-N326 VanDerWaalsContact O-N 3.13Å; N324-G327 PolarHBondContact O-N 3.06Å; N324-G327 PolarHBondContact OD1-N 3.45Å; N324-V328 PolarHBondContact ND2-O 3.3Å; N324-V328 PolarHBondContact OD1-N 3.38Å; N324-L362 HydrophobicContact CB-CD1 3.84Å
325	M	81.6	Confident	76.4	Confident	91 Å²	91	61 Å²	61	45%	0.448	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28	-178.8	-173.2	171.9	71.7	0	0	113.1	Y321 G327	Y321-M325 HydrophobicContact CE1-CG 4.12Å; Y321-M325 HydrophobicContact CE1-SD 3.83Å; Y321-M325 HydrophobicContact CE2-CG 3.96Å; Y321-M325 WeakPolarHBondContact O-CA 3.34Å; Y321-M325 PolarHBondContact O-N 3.35Å; Y321-M325 VanDerWaalsContact O-N 3.15Å; M325-G327 PolarHBondContact O-N 3.24Å
326	N	76.9	Confident	73.4	Confident	137 Å²	137	66.7 Å²	66.7	73%	0.733	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.1	176.4	-65.8	-14.2	0	0	0	113.6	N324 V328	N324-N326 PolarHBondContact O-N 3.04Å; N324-N326 VanDerWaalsContact O-N 3.13Å; N326-V328 HydrophobicContact CB-CG2 4.39Å
327	G	65.8	Low	70.3	Confident	24 Å²	24	70 Å²	70	25%	0.247	39%	0.389	C	S	.	.			trans	68	37.7	174.5	0	0	0	0	0	114.4	P294 N324 M325	P294-G327 WeakPolarHBondContact CB-O 3.48Å; N324-G327 PolarHBondContact O-N 3.06Å; N324-G327 PolarHBondContact OD1-N 3.45Å; M325-G327 PolarHBondContact O-N 3.24Å
328	V	67.4	Low	67.4	Low	73 Å²	73	79.3 Å²	79.3	44%	0.442	43%	0.432	S	S	.	.			trans	-72.9	133.1	176.6	-173.7	0	0	0	0	109.2	N324 N326 V333	N324-V328 PolarHBondContact ND2-O 3.3Å; N324-V328 PolarHBondContact OD1-N 3.38Å; N326-V328 HydrophobicContact CB-CG2 4.39Å; V328-V333 HydrophobicContact CG1-CG2 3.64Å
329	R	65.1	Low	64.5	Low	103 Å²	103	87.1 Å²	87.1	39%	0.389	47%	0.474	S	S	.	.			trans	-96.8	139.2	171.5	-63.7	-176.4	-177.7	-169	-1.5	109.6	P294 D331 V332	P294-R329 HydrophobicContact CB-CG 4.12Å; P294-R329 HydrophobicContact CG-CG 3.88Å; R329-D331 PolarHBondContact O-N 2.77Å; R329-V332 HydrophobicContact CB-CG2 4.47Å; R329-V332 PolarHBondContact O-N 3.12Å; R329-V332 VanDerWaalsContact O-N 3.09Å
330	K	58.6	Low	61.5	Low	99 Å²	99	91.1 Å²	91.1	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-55	-36.1	177.9	-70.3	-174	-171.3	140.4	0	112.3	E291 V332 V333 M334	E291-K330 WeakPolarHBondContact OE1-CD 3.3Å; E291-K330 WeakPolarHBondContact OE1-CE 3.24Å; E291-K330 IonicContact OE1-NZ 3.38Å; E291-K330 PolarHBondContact OE1-NZ 3.01Å; K330-V332 PolarHBondContact O-N 3.03Å; K330-V333 PolarHBondContact O-N 3.23Å; K330-M334 PolarHBondContact O-N 3.32Å
331	D	52.3	Low	58.5	Low	99 Å²	99	95.7 Å²	95.7	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-49.9	-31.2	177.1	-39.6	-38.9	0	0	0	114.1	R329	R329-D331 PolarHBondContact O-N 2.77Å
332	V	48	Very low	55.4	Low	84 Å²	84	101.7 Å²	101.7	51%	0.509	57%	0.569	S	S	.	*	H	α-helix	trans	-91.5	-27	-177.2	-175.5	0	0	0	0	111.8	R329 K330 M334 T335	R329-V332 HydrophobicContact CB-CG2 4.47Å; R329-V332 PolarHBondContact O-N 3.12Å; R329-V332 VanDerWaalsContact O-N 3.09Å; K330-V332 PolarHBondContact O-N 3.03Å; V332-M334 VanDerWaalsContact C-N 3.26Å; V332-M334 PolarHBondContact O-N 3.22Å; V332-T335 PolarHBondContact O-N 3.32Å; V332-T335 PolarHBondContact O-OG1 3.3Å
333	V	47.2	Very low	52.5	Low	83 Å²	83	100.8 Å²	100.8	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-70.5	-27.1	179.3	-174.7	0	0	0	0	111.2	V328 K330 T335	V328-V333 HydrophobicContact CG1-CG2 3.64Å; K330-V333 PolarHBondContact O-N 3.23Å; V333-T335 VanDerWaalsContact C-N 3.28Å; V333-T335 PolarHBondContact O-N 3.05Å
334	M	42.2	Very low	49.8	Very low	173 Å²	173	106.3 Å²	106.3	85%	0.852	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-2.9	179.7	-68	-65.5	-167.9	0	0	114.7	K330 V332	K330-M334 PolarHBondContact O-N 3.32Å; V332-M334 VanDerWaalsContact C-N 3.26Å; V332-M334 PolarHBondContact O-N 3.22Å
335	T	40	Very low	47	Very low	103 Å²	103	113.9 Å²	113.9	63%	0.632	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-23.8	-176.9	46.7	0	0	0	0	115.7	V332 V333	V332-T335 PolarHBondContact O-N 3.32Å; V332-T335 PolarHBondContact O-OG1 3.3Å; V333-T335 VanDerWaalsContact C-N 3.28Å; V333-T335 PolarHBondContact O-N 3.05Å
336	D	35.5	Very low	44.9	Very low	130 Å²	130	114.7 Å²	114.7	70%	0.695	64%	0.641	S	S	*	*	S	Bend	trans	-127.8	100.7	-169.1	-72.7	-52.5	0	0	0	114.2
337	G	34.7	Very low	42.6	Very low	70 Å²	70	116 Å²	116	72%	0.722	64%	0.641	S	S	*	*			trans	70	127	147.9	0	0	0	0	0	119.7	D339	G337-D339 PolarHBondContact O-N 3.49Å
338	E	38.3	Very low	41.1	Very low	197 Å²	197	121.2 Å²	121.2	92%	0.921	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	3.7	-180	-60.3	-179.6	113	0	0	115.5
339	D	35.5	Very low	39.4	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	13.1	-156.7	-94	-35.4	0	0	0	116.5	G337	G337-D339 PolarHBondContact O-N 3.49Å
340	S	35.7	Very low	37.8	Very low	115 Å²	115	127.9 Å²	127.9	80%	0.804	70%	0.697	S	S	*	*			trans	-143.2	19.8	-177.5	-150.9	0	0	0	0	117.4
341	T	34	Very low	36.8	Very low	97 Å²	97	132.2 Å²	132.2	60%	0.595	72%	0.719	S	S	*	*			trans	-92.9	101.9	174.4	56.7	0	0	0	0	112.2	S343	T341-S343 PolarHBondContact O-N 3.21Å
342	V	31	Very low	36.1	Very low	145 Å²	145	131.5 Å²	131.5	88%	0.879	74%	0.735	S	S	*	*			trans	-74.4	75.2	164.9	-176.1	0	0	0	0	109	I344	V342-I344 PolarHBondContact O-N 3.31Å
343	S	33.3	Very low	35.3	Very low	84 Å²	84	132.7 Å²	132.7	59%	0.587	75%	0.747	S	S	*	*			trans	-75.5	110.2	-177.6	-61.9	0	0	0	0	110.7	T341 Q345	T341-S343 PolarHBondContact O-N 3.21Å; S343-Q345 PolarHBondContact O-N 2.93Å
344	I	35.6	Very low	34.6	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	77%	0.769	S	S	*	*			trans	-73.8	82.1	169	-55.7	-179.6	0	0	0	108	V342 I346	V342-I344 PolarHBondContact O-N 3.31Å; I344-I346 VanDerWaalsContact C-N 3.34Å; I344-I346 HydrophobicContact CG2-CG1 4.08Å; I344-I346 PolarHBondContact O-N 3.21Å
345	Q	27.8	Very low	34.2	Very low	169 Å²	169	136.2 Å²	136.2	79%	0.79	76%	0.762	S	S	*	*			trans	-80.1	78.4	-171.6	-163	168.8	37.1	0	0	111.5	S343 K347	S343-Q345 PolarHBondContact O-N 2.93Å; Q345-K347 PolarHBondContact O-N 2.93Å
346	I	37.7	Very low	34.1	Very low	107 Å²	107	141.3 Å²	141.3	55%	0.549	78%	0.779	S	S	.	*			trans	-68.5	98.2	174.6	-55.4	-179	0	0	0	109	I344 L348 L367	I344-I346 VanDerWaalsContact C-N 3.34Å; I344-I346 HydrophobicContact CG2-CG1 4.08Å; I344-I346 PolarHBondContact O-N 3.21Å; I346-L348 HydrophobicContact CG2-CD1 4.46Å; I346-L348 HydrophobicContact CG2-CG 4.29Å; I346-L348 PolarHBondContact O-N 3.46Å; I346-L367 HydrophobicContact CD1-CD1 3.72Å
347	K	28.4	Very low	34.4	Very low	166 Å²	166	140.9 Å²	140.9	72%	0.722	78%	0.776	S	S	*	*			trans	-69.9	115.1	164.4	-77.9	-170.2	171.1	-166.9	0	109.6	Q345	Q345-K347 PolarHBondContact O-N 2.93Å
348	L	34.4	Very low	34.9	Very low	133 Å²	133	147.2 Å²	147.2	70%	0.696	79%	0.787	S	S	*	*			trans	-105.9	99.3	162.4	-86.4	160.9	0	0	0	108.5	I346	I346-L348 HydrophobicContact CG2-CD1 4.46Å; I346-L348 HydrophobicContact CG2-CG 4.29Å; I346-L348 PolarHBondContact O-N 3.46Å
349	E	32.8	Very low	35.6	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	78%	0.777	S	S	*	*			trans	-82	106.2	158.6	-71.9	173.1	-171.9	0	0	106.9
350	N	30.4	Very low	37	Very low	152 Å²	152	137 Å²	137	81%	0.813	74%	0.743	S	S	*	*			trans	-162.8	159	158.9	-106	-20.9	0	0	0	111.5
351	E	38.1	Very low	38.9	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	74%	0.744	S	S	*	*			trans	-85.7	133.3	-151.9	-56.9	171.9	130.5	0	0	115.2
352	G	37.5	Very low	41.4	Very low	84 Å²	84	139.6 Å²	139.6	87%	0.866	74%	0.74	S	S	*	*			trans	68.2	74.7	133.8	0	0	0	0	0	119.8
353	S	31.5	Very low	44.4	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	70%	0.701	S	S	*	*			trans	-146.1	110.5	152.7	63.5	0	0	0	0	112	E355	S353-E355 PolarHBondContact O-N 3.48Å
354	D	32.2	Very low	47.4	Very low	178 Å²	178	131.5 Å²	131.5	95%	0.952	69%	0.687	S	S	*	*			trans	-76.5	83.9	174.1	-69.4	-37.4	0	0	0	110.9
355	E	35.2	Very low	50.2	Low	153 Å²	153	125.2 Å²	125.2	72%	0.715	66%	0.656	S	S	*	*			trans	-129.2	117.8	157.3	-70.4	-163.1	164.7	0	0	109.4	S353 L357	S353-E355 PolarHBondContact O-N 3.48Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 2.78Å
356	E	37	Very low	53.4	Low	210 Å²	210	122.7 Å²	122.7	98%	0.981	64%	0.644	S	S	*	*			trans	-71.4	80.2	179.5	-68.2	-178.7	125.2	0	0	111.1
357	L	41.9	Very low	56.1	Low	121 Å²	121	121 Å²	121	63%	0.634	64%	0.636	S	S	*	*			trans	-89.7	120.7	168.6	-77.8	165.3	0	0	0	110.2	E355 T359	E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 2.78Å; L357-T359 VanDerWaalsContact C-N 3.27Å; L357-T359 PolarHBondContact O-N 3.47Å; L357-T359 PolarHBondContact O-OG1 3.06Å
358	E	44.2	Very low	59.4	Low	203 Å²	203	113.1 Å²	113.1	95%	0.949	60%	0.602	S	S	*	*			trans	-61.4	90.2	165.1	-67.8	-166.9	141.9	0	0	109.4	D360	E358-D360 PolarHBondContact O-N 3.03Å
359	T	54.4	Low	62.5	Low	116 Å²	116	107.8 Å²	107.8	71%	0.712	57%	0.574	S	S	*	*			trans	-77.3	123.1	-172.2	12.8	0	0	0	0	110	L357 M361	L357-T359 VanDerWaalsContact C-N 3.27Å; L357-T359 PolarHBondContact O-N 3.47Å; L357-T359 PolarHBondContact O-OG1 3.06Å; T359-M361 PolarHBondContact O-N 2.86Å
360	D	64.9	Low	65.5	Low	31 Å²	31	106.3 Å²	106.3	17%	0.166	57%	0.565	C	S	.	*			trans	-65.6	109.4	175.4	-162.2	-56.3	0	0	0	109.5	S289 T290 E358 L362 Y363	S289-D360 VanDerWaalsContact CA-OD2 3.27Å; S289-D360 WeakPolarHBondContact CA-OD2 3.5Å; S289-D360 WeakPolarHBondContact CB-OD2 3.29Å; S289-D360 PolarHBondContact OG-OD2 3.15Å; T290-D360 WeakPolarHBondContact CG2-OD1 3.41Å; T290-D360 PolarHBondContact N-OD2 3.23Å; T290-D360 PolarHBondContact OG1-OD1 3.37Å; T290-D360 PolarHBondContact OG1-OD2 3.23Å; T290-D360 VanDerWaalsContact OG1-OD2 3.07Å; E358-D360 PolarHBondContact O-N 3.03Å; D360-L362 PolarHBondContact O-N 2.86Å; D360-L362 PolarHBondContact OD1-N 2.81Å; D360-Y363 PolarHBondContact O-N 2.9Å
361	M	74.4	Confident	68.7	Low	169 Å²	169	104 Å²	104	83%	0.833	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-13.4	-171.9	-62.3	-177.7	71.8	0	0	113.7	T359	T359-M361 PolarHBondContact O-N 2.86Å
362	L	87.3	Confident	71.6	Confident	98 Å²	98	95 Å²	95	51%	0.513	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-18.5	-178.7	-58.2	178.3	0	0	0	112.9	T290 S323 N324 D360	T290-L362 HydrophobicContact CG2-CB 4.27Å; S323-L362 VanDerWaalsContact CB-O 3.32Å; S323-L362 WeakPolarHBondContact CB-O 3.5Å; N324-L362 HydrophobicContact CB-CD1 3.84Å; D360-L362 PolarHBondContact O-N 2.86Å; D360-L362 PolarHBondContact OD1-N 2.81Å
363	Y	93.9	Very high	74.5	Confident	17 Å²	17	91 Å²	91	7%	0.067	47%	0.469	C	S	.	.			trans	-142.7	115.8	-174.2	179.9	-98.1	0	0	0	113.7	Y285 T316 T319 W320 D360 P365 A368	Y285-Y363 WeakPolarHBondContact O-CE1 3.27Å; Y285-Y363 PolarHBondContact O-OH 3.45Å; Y285-Y363 VanDerWaalsContact O-OH 3.04Å; T316-Y363 PolarHBondContact O-OH 2.68Å; T319-Y363 HydrophobicContact CG2-CD2 4.44Å; T319-Y363 HydrophobicContact CG2-CE2 4.12Å; W320-Y363 VanDerWaalsContact CA-CD2 3.49Å; W320-Y363 HydrophobicContact CB-CD2 3.88Å; W320-Y363 HydrophobicContact CB-CE1 4.42Å; W320-Y363 HydrophobicContact CB-CE2 3.64Å; W320-Y363 HydrophobicContact CB-CG 4.35Å; W320-Y363 AromaticContact CD1-CD1 3.84Å; W320-Y363 AromaticContact CD1-CG 3.93Å; D360-Y363 PolarHBondContact O-N 2.9Å; Y363-P365 HydrophobicContact CD1-CG 4.32Å; Y363-P365 HydrophobicContact CE1-CB 4.25Å; Y363-P365 HydrophobicContact CE1-CG 3.87Å; Y363-A368 HydrophobicContact CE2-CB 3.58Å
364	S	95.4	Very high	77.6	Confident	42 Å²	42	89.3 Å²	89.3	29%	0.294	45%	0.454	S	S	.	.			trans	-101.1	119.8	167.5	167.5	0	0	0	0	110.6	Q366 L367 A368	S364-Q366 PolarHBondContact O-N 3.5Å; S364-Q366 PolarHBondContact OG-N 3.17Å; S364-Q366 PolarHBondContact OG-OE1 2.85Å; S364-Q366 VanDerWaalsContact OG-OE1 3.05Å; S364-L367 PolarHBondContact O-N 3.39Å; S364-L367 PolarHBondContact OG-N 3.32Å; S364-A368 WeakPolarHBondContact O-CB 3.48Å; S364-A368 PolarHBondContact O-N 3.19Å
365	P	95.9	Very high	80.7	Confident	19 Å²	19	83.6 Å²	83.6	12%	0.123	42%	0.422	C	S	.	.	H	α-helix	trans	-58	-35.2	174.2	-22.3	30.4	0	0	0	113	P284 K286 Y363 L369	P284-P365 HydrophobicContact CB-CB 3.96Å; P284-P365 VanDerWaalsContact CB-O 3.27Å; P284-P365 WeakPolarHBondContact CB-O 3.11Å; P284-P365 HydrophobicContact CG-CB 3.61Å; P284-P365 WeakPolarHBondContact CG-O 3.44Å; K286-P365 HydrophobicContact CB-CG 4.43Å; K286-P365 HydrophobicContact CG-CG 4.05Å; Y363-P365 HydrophobicContact CD1-CG 4.32Å; Y363-P365 HydrophobicContact CE1-CB 4.25Å; Y363-P365 HydrophobicContact CE1-CG 3.87Å; P365-L369 VanDerWaalsContact O-CB 3.29Å; P365-L369 WeakPolarHBondContact O-CB 3.49Å; P365-L369 PolarHBondContact O-N 2.75Å
366	Q	94.1	Very high	83.7	Confident	115 Å²	115	76.3 Å²	76.3	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-71.1	-39.8	-178.9	-59.3	83.3	-5.7	0	0	112.1	S364 K370	S364-Q366 PolarHBondContact O-N 3.5Å; S364-Q366 PolarHBondContact OG-N 3.17Å; S364-Q366 PolarHBondContact OG-OE1 2.85Å; S364-Q366 VanDerWaalsContact OG-OE1 3.05Å; Q366-K370 PolarHBondContact O-N 3.48Å; Q366-K370 VanDerWaalsContact O-N 3.1Å
367	L	95.2	Very high	86.5	Confident	71 Å²	71	68.4 Å²	68.4	37%	0.372	35%	0.352	S	S	.	.	H	α-helix	trans	-68.7	-42.7	173.7	-64.6	-179.1	0	0	0	111	I346 S364 L369 K370 L371	I346-L367 HydrophobicContact CD1-CD1 3.72Å; S364-L367 PolarHBondContact O-N 3.39Å; S364-L367 PolarHBondContact OG-N 3.32Å; L367-L369 PolarHBondContact O-N 2.81Å; L367-K370 PolarHBondContact O-N 3.49Å; L367-L371 WeakPolarHBondContact O-CG 3.41Å; L367-L371 PolarHBondContact O-N 3.27Å
368	A	97.4	Very high	89	Confident	2 Å²	2	65.5 Å²	65.5	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-60.7	-44.1	175.9	0	0	0	0	0	111.9	T316 T319 Y363 S364 K370 L371 A372	T316-A368 HydrophobicContact CG2-CB 3.94Å; T319-A368 HydrophobicContact CG2-CB 4Å; Y363-A368 HydrophobicContact CE2-CB 3.58Å; S364-A368 WeakPolarHBondContact O-CB 3.48Å; S364-A368 PolarHBondContact O-N 3.19Å; A368-K370 PolarHBondContact O-N 2.85Å; A368-L371 PolarHBondContact O-N 3.5Å; A368-A372 WeakPolarHBondContact O-CB 3.34Å; A368-A372 PolarHBondContact O-N 2.96Å
369	L	97.9	Very high	91.3	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-50.2	173.3	-179.8	64.2	0	0	0	111.5	P284 V312 P365 L367 L371 A372 L373 A563 Y567	P284-L369 HydrophobicContact CB-CB 4.08Å; P284-L369 HydrophobicContact CG-CB 4.16Å; V312-L369 HydrophobicContact CG1-CD1 3.65Å; P365-L369 VanDerWaalsContact O-CB 3.29Å; P365-L369 WeakPolarHBondContact O-CB 3.49Å; P365-L369 PolarHBondContact O-N 2.75Å; L367-L369 PolarHBondContact O-N 2.81Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.3Å; L369-A372 PolarHBondContact O-N 3.27Å; L369-L373 HydrophobicContact CD1-CD1 3.82Å; L369-L373 HydrophobicContact CD1-CD2 4.32Å; L369-L373 HydrophobicContact CD1-CG 3.9Å; L369-L373 HydrophobicContact CD2-CD1 4.46Å; L369-L373 HydrophobicContact CG-CD1 3.83Å; L369-L373 HydrophobicContact CG-CG 4.23Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 2.91Å; L369-A563 HydrophobicContact CD1-CB 4.26Å; L369-Y567 HydrophobicContact CD2-CE2 4.03Å
370	K	97.4	Very high	93	Very high	131 Å²	131	51.9 Å²	51.9	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-61.1	-40	-178.8	-173.8	172.1	-178.6	174.6	0	112	Q366 L367 A368 T374	Q366-K370 PolarHBondContact O-N 3.48Å; Q366-K370 VanDerWaalsContact O-N 3.1Å; L367-K370 PolarHBondContact O-N 3.49Å; A368-K370 PolarHBondContact O-N 2.85Å; K370-T374 WeakPolarHBondContact O-CB 3.46Å; K370-T374 PolarHBondContact O-N 2.96Å; K370-T374 PolarHBondContact O-OG1 3.19Å
371	L	97.8	Very high	93.9	Very high	105 Å²	105	54.2 Å²	54.2	55%	0.55	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-49.2	174.3	-68.6	170.3	0	0	0	111.3	L367 A368 L369 L373 T374 E375	L367-L371 WeakPolarHBondContact O-CG 3.41Å; L367-L371 PolarHBondContact O-N 3.27Å; A368-L371 PolarHBondContact O-N 3.5Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.3Å; L371-L373 PolarHBondContact O-N 3.3Å; L371-T374 PolarHBondContact O-N 3.4Å; L371-E375 PolarHBondContact O-N 3.15Å
372	A	98.3	Very high	94.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-47	179.6	0	0	0	0	0	112.6	F311 V312 H315 T316 A368 L369 T374 E375 W376	F311-A372 WeakPolarHBondContact CE1-O 3.29Å; V312-A372 HydrophobicContact CB-CB 4.48Å; V312-A372 HydrophobicContact CG1-CB 4.11Å; V312-A372 HydrophobicContact CG2-CB 4.38Å; H315-A372 HydrophobicContact CB-CB 3.96Å; T316-A372 HydrophobicContact CG2-CB 3.94Å; A368-A372 WeakPolarHBondContact O-CB 3.34Å; A368-A372 PolarHBondContact O-N 2.96Å; L369-A372 PolarHBondContact O-N 3.27Å; A372-T374 PolarHBondContact O-N 3.19Å; A372-E375 PolarHBondContact O-N 2.91Å; A372-W376 WeakPolarHBondContact O-CB 3.46Å; A372-W376 PolarHBondContact O-N 3.44Å
373	L	98.1	Very high	93.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-35.2	178.8	-63	178.3	0	0	0	112.7	V312 L369 L371 E375 W376 L377 L556 L559 C560 A563	V312-L373 HydrophobicContact CG2-CD2 3.64Å; L369-L373 HydrophobicContact CD1-CD1 3.82Å; L369-L373 HydrophobicContact CD1-CD2 4.32Å; L369-L373 HydrophobicContact CD1-CG 3.9Å; L369-L373 HydrophobicContact CD2-CD1 4.46Å; L369-L373 HydrophobicContact CG-CD1 3.83Å; L369-L373 HydrophobicContact CG-CG 4.23Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 2.91Å; L371-L373 PolarHBondContact O-N 3.3Å; L373-E375 VanDerWaalsContact C-N 3.32Å; L373-W376 HydrophobicContact CD2-CE3 3.94Å; L373-W376 HydrophobicContact CD2-CZ3 4.36Å; L373-W376 PolarHBondContact O-N 3.14Å; L373-L377 PolarHBondContact O-N 3.33Å; L373-L377 VanDerWaalsContact O-N 3.1Å; L373-L556 HydrophobicContact CB-CD1 3.88Å; L373-L559 HydrophobicContact CD2-CB 4.28Å; L373-C560 HydrophobicContact CD1-CB 4.4Å; L373-A563 HydrophobicContact CD1-CB 4.02Å; L373-A563 HydrophobicContact CD2-CB 4.17Å
374	T	97.8	Very high	92	Very high	73 Å²	73	50.7 Å²	50.7	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.2	-55.3	0	0	0	0	111.3	K370 L371 A372	K370-T374 WeakPolarHBondContact O-CB 3.46Å; K370-T374 PolarHBondContact O-N 2.96Å; K370-T374 PolarHBondContact O-OG1 3.19Å; L371-T374 PolarHBondContact O-N 3.4Å; A372-T374 PolarHBondContact O-N 3.19Å
375	E	97.3	Very high	89.6	Confident	59 Å²	59	57.5 Å²	57.5	28%	0.276	31%	0.313	S	S	.	.	H	α-helix	trans	-75	-38.9	175.6	-161.7	-179	134.3	0	0	112.1	K76 W77 F311 H315 L371 A372 L373 L377 A378	K76-E375 VanDerWaalsContact CE-OE1 3.27Å; K76-E375 WeakPolarHBondContact CE-OE1 3.3Å; K76-E375 IonicContact NZ-OE1 3.35Å; K76-E375 PolarHBondContact NZ-OE1 3.44Å; W77-E375 PolarHBondContact NE1-OE1 2.97Å; F311-E375 HydrophobicContact CE1-CB 4.15Å; F311-E375 HydrophobicContact CE1-CG 4.48Å; F311-E375 HydrophobicContact CZ-CB 4.2Å; F311-E375 HydrophobicContact CZ-CG 4.1Å; H315-E375 IonicContact CD2-OE1 2.69Å; H315-E375 IonicContact CD2-OE2 2.63Å; H315-E375 PolarHBondContact CD2-OE2 3.37Å; H315-E375 IonicContact CE1-OE2 2.72Å; H315-E375 IonicContact NE2-OE2 3.53Å; H315-E375 PolarHBondContact NE2-OE2 3.02Å; L371-E375 PolarHBondContact O-N 3.15Å; A372-E375 PolarHBondContact O-N 2.91Å; L373-E375 VanDerWaalsContact C-N 3.32Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.34Å; E375-A378 PolarHBondContact O-N 3.06Å
376	W	97.3	Very high	87.3	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-34	-179.8	-163.9	25.2	0	0	0	112.7	L282 E308 F311 V312 A372 L373 A378 E379 F380 L559 L562 I637 L641	L282-W376 HydrophobicContact CD1-CH2 4.44Å; L282-W376 HydrophobicContact CD2-CH2 4.07Å; L282-W376 HydrophobicContact CD2-CZ3 4.49Å; E308-W376 WeakPolarHBondContact O-CZ2 3.23Å; F311-W376 HydrophobicContact CB-CD2 4.11Å; F311-W376 HydrophobicContact CB-CG 3.99Å; F311-W376 HydrophobicContact CD1-CB 3.56Å; F311-W376 AromaticContact CD1-CD1 3.86Å; F311-W376 HydrophobicContact CD1-CD2 4.47Å; F311-W376 AromaticContact CD1-CG 3.71Å; F311-W376 HydrophobicContact CD1-CG 3.71Å; F311-W376 HydrophobicContact CD2-CB 4.49Å; F311-W376 AromaticContact CD2-CD1 3.39Å; F311-W376 HydrophobicContact CD2-CG 4.09Å; F311-W376 AromaticContact CD2-NE1 3.94Å; F311-W376 HydrophobicContact CE1-CB 3.58Å; F311-W376 HydrophobicContact CE1-CG 4.15Å; F311-W376 HydrophobicContact CE2-CB 4.5Å; F311-W376 AromaticContact CE2-CD1 3.87Å; F311-W376 HydrophobicContact CE2-CG 4.48Å; F311-W376 HydrophobicContact CG-CB 4.04Å; F311-W376 AromaticContact CG-CD1 3.37Å; F311-W376 HydrophobicContact CG-CD2 4.31Å; F311-W376 AromaticContact CG-CG 3.67Å; F311-W376 HydrophobicContact CG-CG 3.67Å; F311-W376 AromaticContact CG-NE1 3.85Å; F311-W376 HydrophobicContact CZ-CB 4.05Å; F311-W376 HydrophobicContact CZ-CG 4.5Å; V312-W376 HydrophobicContact CG2-CE3 4.11Å; V312-W376 HydrophobicContact CG2-CZ3 4.35Å; A372-W376 WeakPolarHBondContact O-CB 3.46Å; A372-W376 PolarHBondContact O-N 3.44Å; L373-W376 HydrophobicContact CD2-CE3 3.94Å; L373-W376 HydrophobicContact CD2-CZ3 4.36Å; L373-W376 PolarHBondContact O-N 3.14Å; W376-A378 PolarHBondContact O-N 3.25Å; W376-A378 VanDerWaalsContact O-N 3.12Å; W376-E379 WeakPolarHBondContact O-CB 3.39Å; W376-E379 PolarHBondContact O-N 3.14Å; W376-F380 AromaticContact CD2-CE2 3.69Å; W376-F380 HydrophobicContact CD2-CE2 3.69Å; W376-F380 HydrophobicContact CD2-CZ 4.26Å; W376-F380 AromaticContact CE2-CE2 3.72Å; W376-F380 AromaticContact CE2-CZ 3.98Å; W376-F380 HydrophobicContact CE3-CE2 4.13Å; W376-F380 HydrophobicContact CE3-CZ 4.49Å; W376-F380 AromaticContact CG-CE2 3.95Å; W376-F380 HydrophobicContact CG-CE2 3.95Å; W376-F380 HydrophobicContact CH2-CZ 4.26Å; W376-F380 HydrophobicContact CZ2-CE2 4.22Å; W376-F380 AromaticContact CZ2-CZ 4Å; W376-F380 HydrophobicContact CZ2-CZ 4Å; W376-F380 HydrophobicContact CZ3-CZ 4.49Å; W376-F380 AromaticContact NE1-CE2 3.94Å; W376-F380 WeakPolarHBondContact O-CD2 3.3Å; W376-L559 HydrophobicContact CE3-CD1 4.34Å; W376-L562 HydrophobicContact CH2-CD2 4.45Å; W376-L562 HydrophobicContact CZ3-CD2 4.35Å; W376-I637 HydrophobicContact CZ2-CG2 4.09Å; W376-L641 HydrophobicContact CH2-CD1 4.17Å; W376-L641 HydrophobicContact CZ2-CD1 4.39Å
377	L	96	Very high	84.6	Confident	43 Å²	43	62.5 Å²	62.5	23%	0.225	34%	0.338	C	S	.	.	H	α-helix	trans	-54.4	-32.3	-179.9	-172.1	63.1	0	0	0	113.5	L373 E375 E379 F380 P554 L556 L559	L373-L377 PolarHBondContact O-N 3.33Å; L373-L377 VanDerWaalsContact O-N 3.1Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.34Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-E379 PolarHBondContact O-N 2.78Å; L377-F380 PolarHBondContact O-N 2.73Å; L377-P554 HydrophobicContact CD1-CB 4.4Å; L377-P554 WeakPolarHBondContact CD1-O 3.45Å; L377-L556 HydrophobicContact CD2-CB 4.07Å; L377-L559 HydrophobicContact CB-CD1 3.88Å; L377-L559 HydrophobicContact CD1-CD1 3.68Å; L377-L559 HydrophobicContact CD1-CG 4.11Å; L377-L559 HydrophobicContact CG-CD1 4.4Å
378	A	93.3	Very high	81.9	Confident	61 Å²	61	62.8 Å²	62.8	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-38.9	176.1	0	0	0	0	0	112.3	E375 W376 F380 S381	E375-A378 PolarHBondContact O-N 3.06Å; W376-A378 PolarHBondContact O-N 3.25Å; W376-A378 VanDerWaalsContact O-N 3.12Å; A378-F380 VanDerWaalsContact C-N 3.27Å; A378-F380 PolarHBondContact O-N 3.14Å; A378-S381 PolarHBondContact O-N 2.83Å; A378-S381 VanDerWaalsContact O-N 3.12Å
379	E	93	Very high	78.9	Confident	29 Å²	29	70.8 Å²	70.8	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-68	-26	-175.7	-51.9	-69.5	-179.7	0	0	112	F311 W376 L377 S381 V382 N634 I637	F311-E379 HydrophobicContact CD2-CG 4.48Å; F311-E379 HydrophobicContact CE2-CG 3.76Å; F311-E379 HydrophobicContact CZ-CG 4.41Å; W376-E379 WeakPolarHBondContact O-CB 3.39Å; W376-E379 PolarHBondContact O-N 3.14Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-E379 PolarHBondContact O-N 2.78Å; E379-S381 VanDerWaalsContact C-N 3.29Å; E379-S381 PolarHBondContact O-N 3.28Å; E379-V382 PolarHBondContact O-N 2.73Å; E379-N634 WeakPolarHBondContact O-CB 3.32Å; E379-N634 PolarHBondContact O-ND2 3.47Å; E379-I637 HydrophobicContact CB-CD1 3.95Å
380	F	90.8	Very high	75.6	Confident	3 Å²	3	79.1 Å²	79.1	1%	0.013	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-31	173.7	-74.7	-94.1	0	0	0	112.9	W376 L377 A378 V382 P554 L559 L629 T632 N634 I637 L641	W376-F380 AromaticContact CD2-CE2 3.69Å; W376-F380 HydrophobicContact CD2-CE2 3.69Å; W376-F380 HydrophobicContact CD2-CZ 4.26Å; W376-F380 AromaticContact CE2-CE2 3.72Å; W376-F380 AromaticContact CE2-CZ 3.98Å; W376-F380 HydrophobicContact CE3-CE2 4.13Å; W376-F380 HydrophobicContact CE3-CZ 4.49Å; W376-F380 AromaticContact CG-CE2 3.95Å; W376-F380 HydrophobicContact CG-CE2 3.95Å; W376-F380 HydrophobicContact CH2-CZ 4.26Å; W376-F380 HydrophobicContact CZ2-CE2 4.22Å; W376-F380 AromaticContact CZ2-CZ 4Å; W376-F380 HydrophobicContact CZ2-CZ 4Å; W376-F380 HydrophobicContact CZ3-CZ 4.49Å; W376-F380 AromaticContact NE1-CE2 3.94Å; W376-F380 WeakPolarHBondContact O-CD2 3.3Å; L377-F380 PolarHBondContact O-N 2.73Å; A378-F380 VanDerWaalsContact C-N 3.27Å; A378-F380 PolarHBondContact O-N 3.14Å; F380-V382 VanDerWaalsContact C-N 3.31Å; F380-V382 PolarHBondContact O-N 3.15Å; F380-P554 HydrophobicContact CB-CG 4.43Å; F380-P554 HydrophobicContact CD1-CG 4.34Å; F380-L559 HydrophobicContact CD2-CD1 3.99Å; F380-L559 HydrophobicContact CD2-CD2 4.31Å; F380-L559 HydrophobicContact CE1-CD2 4.26Å; F380-L559 HydrophobicContact CE2-CD1 3.67Å; F380-L559 HydrophobicContact CE2-CD2 3.61Å; F380-L559 HydrophobicContact CE2-CG 4.31Å; F380-L559 HydrophobicContact CZ-CD1 4.48Å; F380-L559 HydrophobicContact CZ-CD2 3.57Å; F380-L629 HydrophobicContact CD1-CD2 4.06Å; F380-L629 HydrophobicContact CE1-CD2 3.55Å; F380-L629 HydrophobicContact CZ-CD2 4.24Å; F380-T632 HydrophobicContact CD1-CG2 4.42Å; F380-T632 PolarHBondContact O-OG1 3.44Å; F380-N634 PolarHBondContact O-N 3.41Å; F380-I637 HydrophobicContact CD1-CG2 4.27Å; F380-I637 HydrophobicContact CD2-CD1 4.39Å; F380-I637 HydrophobicContact CE1-CB 4.36Å; F380-I637 HydrophobicContact CE1-CG2 3.5Å; F380-I637 HydrophobicContact CE2-CD1 4.44Å; F380-I637 HydrophobicContact CE2-CG2 4.37Å; F380-I637 HydrophobicContact CG-CD1 4.46Å; F380-I637 HydrophobicContact CZ-CG2 3.57Å; F380-L641 HydrophobicContact CE1-CD1 4.42Å; F380-L641 HydrophobicContact CZ-CD1 4.32Å
381	S	83.6	Confident	72.3	Confident	81 Å²	81	78.2 Å²	78.2	57%	0.566	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.1	-178.1	-59.9	0	0	0	0	113.5	A378 E379	A378-S381 PolarHBondContact O-N 2.83Å; A378-S381 VanDerWaalsContact O-N 3.12Å; E379-S381 VanDerWaalsContact C-N 3.29Å; E379-S381 PolarHBondContact O-N 3.28Å
382	V	79.5	Confident	68.8	Low	69 Å²	69	79 Å²	79	42%	0.418	43%	0.43	S	S	.	.	S	Bend	trans	-99.9	121.3	-176.5	180	0	0	0	0	110.6	E379 F380 L384 N634	E379-V382 PolarHBondContact O-N 2.73Å; F380-V382 VanDerWaalsContact C-N 3.31Å; F380-V382 PolarHBondContact O-N 3.15Å; V382-L384 PolarHBondContact O-N 2.94Å; V382-N634 VanDerWaalsContact O-CB 3.3Å; V382-N634 WeakPolarHBondContact O-CB 3.19Å
383	P	73.7	Confident	65.4	Low	91 Å²	91	87.8 Å²	87.8	59%	0.591	47%	0.471	S	S	*	.			trans	-69.9	96.1	172.5	-12.2	26.1	0	0	0	111.2	Q385 A633	P383-Q385 PolarHBondContact O-N 3.27Å; P383-A633 HydrophobicContact CG-CB 4.24Å
384	L	62.8	Low	62	Low	50 Å²	50	93.3 Å²	93.3	26%	0.262	51%	0.51	S	S	.	.			trans	-78.1	103.4	174.9	-93.3	171.7	0	0	0	111.6	V382 Y386	V382-L384 PolarHBondContact O-N 2.94Å; L384-Y386 VanDerWaalsContact C-N 3.34Å; L384-Y386 HydrophobicContact CB-CD2 4.39Å; L384-Y386 HydrophobicContact CB-CE2 4.45Å; L384-Y386 HydrophobicContact CD1-CE2 4.21Å; L384-Y386 HydrophobicContact CD2-CE2 4.14Å; L384-Y386 PolarHBondContact O-N 3.45Å
385	Q	44.8	Very low	58.6	Low	184 Å²	184	92.9 Å²	92.9	86%	0.86	52%	0.521	S	S	*	.			trans	-77.7	74.6	174.9	-69.2	-172.6	-10.2	0	0	112.4	P383	P383-Q385 PolarHBondContact O-N 3.27Å
386	Y	47.8	Very low	55.2	Low	71 Å²	71	94.5 Å²	94.5	28%	0.278	54%	0.544	S	S	.	.			trans	-85.5	113.5	162.1	-72.4	-61.4	0	0	0	110.4	E65 L384 S388 T636	E65-Y386 HydrophobicContact CB-CD1 4.05Å; E65-Y386 HydrophobicContact CB-CE1 3.84Å; E65-Y386 HydrophobicContact CG-CD1 4.47Å; L384-Y386 VanDerWaalsContact C-N 3.34Å; L384-Y386 HydrophobicContact CB-CD2 4.39Å; L384-Y386 HydrophobicContact CB-CE2 4.45Å; L384-Y386 HydrophobicContact CD1-CE2 4.21Å; L384-Y386 HydrophobicContact CD2-CE2 4.14Å; L384-Y386 PolarHBondContact O-N 3.45Å; Y386-S388 PolarHBondContact O-N 3.11Å; Y386-T636 HydrophobicContact CD2-CG2 4.12Å
387	N	37.4	Very low	52	Low	169 Å²	169	104.4 Å²	104.4	90%	0.904	59%	0.587	S	S	*	*			trans	-71	76.8	171.6	-83	-35.5	0	0	0	110.6
388	S	37.7	Very low	48.6	Very low	77 Å²	77	107.9 Å²	107.9	54%	0.538	62%	0.615	S	S	.	*			trans	-138	57.3	-176.5	-80.2	0	0	0	0	113.1	Y386	Y386-S388 PolarHBondContact O-N 3.11Å
389	R	35.7	Very low	45.3	Very low	170 Å²	170	110.9 Å²	110.9	64%	0.642	63%	0.627	S	S	*	*			trans	-155.3	44.8	160.5	-116.2	179.7	-160.9	-155.6	7.9	114	V391 S727	R389-V391 PolarHBondContact O-N 3.22Å; R389-V391 VanDerWaalsContact O-N 3.09Å; R389-S727 PolarHBondContact NH1-O 3.24Å
390	Q	27.8	Very low	42	Very low	196 Å²	196	114.3 Å²	114.3	92%	0.916	66%	0.66	S	S	*	*			trans	-72.8	97.6	157.6	-78.5	-165.1	-5.3	0	0	109
391	V	27.7	Very low	38.9	Very low	112 Å²	112	121.7 Å²	121.7	68%	0.679	70%	0.698	S	S	*	*			trans	-63.7	125.7	161.9	177.6	0	0	0	0	106.9	R389 Q393	R389-V391 PolarHBondContact O-N 3.22Å; R389-V391 VanDerWaalsContact O-N 3.09Å; V391-Q393 VanDerWaalsContact C-N 3.35Å; V391-Q393 PolarHBondContact O-N 3.39Å
392	P	25.3	Very low	36	Very low	120 Å²	120	124.8 Å²	124.8	78%	0.779	71%	0.709	S	S	*	*			trans	-70.3	91.7	179.3	28.2	-33.9	0	0	0	110.1	S394	P392-S394 PolarHBondContact O-N 3.02Å
393	Q	25.5	Very low	33.4	Very low	185 Å²	185	127.8 Å²	127.8	86%	0.864	73%	0.727	S	S	*	*			trans	-67.3	95	167.7	-73.9	-170.2	-10.1	0	0	109	V391 G395	V391-Q393 VanDerWaalsContact C-N 3.35Å; V391-Q393 PolarHBondContact O-N 3.39Å; Q393-G395 PolarHBondContact O-N 2.73Å
394	S	28.4	Very low	31	Very low	116 Å²	116	128.7 Å²	128.7	81%	0.811	74%	0.735	S	S	*	*			trans	-71.4	69.2	169.8	60.1	0	0	0	0	110.2	P392 A396	P392-S394 PolarHBondContact O-N 3.02Å; S394-A396 PolarHBondContact O-N 3.04Å
395	G	24.8	Very low	29.2	Very low	65 Å²	65	131 Å²	131	67%	0.67	76%	0.755	S	S	*	*			trans	-70	72.4	-178.4	0	0	0	0	0	112.7	Q393 K397	Q393-G395 PolarHBondContact O-N 2.73Å; G395-K397 PolarHBondContact O-N 3.5Å; G395-K397 VanDerWaalsContact O-N 3.09Å
396	A	26.8	Very low	28.1	Very low	93 Å²	93	130.5 Å²	130.5	77%	0.769	76%	0.755	S	S	*	*			trans	-63.4	107.2	171.1	0	0	0	0	0	109.6	S394 S398	S394-A396 PolarHBondContact O-N 3.04Å; A396-S398 PolarHBondContact O-N 3.5Å
397	K	28.9	Very low	26.9	Very low	207 Å²	207	132.8 Å²	132.8	90%	0.9	78%	0.777	S	S	*	*			trans	-68.5	95	178.5	-68.3	-177.1	178.5	-179	0	110.4	G395	G395-K397 PolarHBondContact O-N 3.5Å; G395-K397 VanDerWaalsContact O-N 3.09Å
398	S	25.3	Very low	26.4	Very low	116 Å²	116	129.4 Å²	129.4	81%	0.811	77%	0.772	S	S	*	*			trans	-83.7	114.6	168.7	-169.2	0	0	0	0	110	A396 A400	A396-S398 PolarHBondContact O-N 3.5Å; S398-A400 PolarHBondContact O-N 2.94Å
399	T	25	Very low	25.8	Very low	125 Å²	125	131.7 Å²	131.7	77%	0.767	79%	0.785	S	S	*	*			trans	-70.1	120.2	168.5	46.7	0	0	0	0	109.5
400	A	23.2	Very low	25.4	Very low	100 Å²	100	128.9 Å²	128.9	83%	0.826	79%	0.791	S	S	*	*			trans	-69.8	135	176.2	0	0	0	0	0	111.4	S398	S398-A400 PolarHBondContact O-N 2.94Å
401	I	25.4	Very low	25.2	Very low	158 Å²	158	127.8 Å²	127.8	81%	0.81	79%	0.791	S	S	*	*			trans	-127	130.6	161	-63	179.5	0	0	0	105.9
402	D	22.2	Very low	25	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	80%	0.8	S	S	*	*			trans	-92.7	129	-171	179.7	24.2	0	0	0	112.1
403	V	25.5	Very low	24.9	Very low	132 Å²	132	128.2 Å²	128.2	80%	0.8	80%	0.8	S	S	*	*			trans	-149.3	135.1	169.6	-174.7	0	0	0	0	109.2
404	S	22.5	Very low	24.8	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	79%	0.792	S	S	*	*			trans	-84.4	157.8	-167	-42.1	0	0	0	0	116.6
405	S	25.3	Very low	24.6	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	79%	0.792	S	S	*	*			trans	-35.3	135.2	176.1	156.2	0	0	0	0	119.2
406	M	22	Very low	24.5	Very low	175 Å²	175	126 Å²	126	86%	0.862	79%	0.79	S	S	*	*			trans	-146.7	169.1	143.2	-96.7	-60.7	107.9	0	0	110.8
407	T	22.8	Very low	24.3	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	79%	0.791	S	S	*	*			trans	-112.2	150.6	-155.6	49.7	0	0	0	0	117.2
408	A	26.1	Very low	24	Very low	97 Å²	97	123.5 Å²	123.5	80%	0.802	78%	0.782	S	S	*	*			trans	68.9	160.3	162.2	0	0	0	0	0	117.4
409	P	24.8	Very low	24	Very low	125 Å²	125	123.5 Å²	123.5	81%	0.812	78%	0.777	S	S	*	*			cis	-123	-170	6.6	43.5	-29.4	0	0	0	115
410	S	29.2	Very low	23.8	Very low	111 Å²	111	123.2 Å²	123.2	78%	0.776	78%	0.775	S	S	*	*			trans	-74.7	135.9	178.8	54.2	0	0	0	0	114.5
411	L	22.8	Very low	23.8	Very low	174 Å²	174	127.3 Å²	127.3	91%	0.911	78%	0.775	S	S	*	*			trans	-151	136.2	155.2	-110.3	167.2	0	0	0	109.5
412	C	23.9	Very low	23.8	Very low	127 Å²	127	128.1 Å²	128.1	86%	0.858	78%	0.775	S	S	*	*			trans	-88.6	135.5	-178.6	-62.2	0	0	0	0	111.4
413	S	22.5	Very low	23.8	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	77%	0.773	S	S	*	*			trans	-148.9	94.1	160.8	-169.7	0	0	0	0	109.9
414	S	24.1	Very low	23.8	Very low	99 Å²	99	128 Å²	128	69%	0.692	77%	0.771	S	S	*	*			trans	-91.3	98.4	176.2	45.4	0	0	0	0	109.9	S416	S414-S416 PolarHBondContact O-N 3.12Å; S414-S416 PolarHBondContact O-OG 3.5Å; S414-S416 VanDerWaalsContact O-OG 3.11Å
415	T	24.2	Very low	24.1	Very low	131 Å²	131	130.9 Å²	130.9	80%	0.804	78%	0.776	S	S	*	*			trans	-62.1	93.5	178.7	-47.8	0	0	0	0	110.9	V417	T415-V417 PolarHBondContact O-N 3.44Å
416	S	22.7	Very low	24.1	Very low	90 Å²	90	134.5 Å²	134.5	63%	0.629	78%	0.784	S	S	*	*			trans	-79.3	107.2	-173.5	-61.8	0	0	0	0	110.5	S414 T418	S414-S416 PolarHBondContact O-N 3.12Å; S414-S416 PolarHBondContact O-OG 3.5Å; S414-S416 VanDerWaalsContact O-OG 3.11Å; S416-T418 VanDerWaalsContact C-N 3.34Å; S416-T418 PolarHBondContact O-N 2.7Å; S416-T418 PolarHBondContact O-OG1 2.73Å
417	V	21.2	Very low	24.3	Very low	131 Å²	131	131.4 Å²	131.4	79%	0.794	78%	0.78	S	S	*	*			trans	-68.2	94.9	171.6	-179	0	0	0	0	108.2	T415 T419	T415-V417 PolarHBondContact O-N 3.44Å; V417-T419 PolarHBondContact O-N 2.9Å
418	T	22.5	Very low	24.6	Very low	117 Å²	117	131.8 Å²	131.8	72%	0.718	78%	0.784	S	S	*	*			trans	-77.8	92.4	-175.3	-54.6	0	0	0	0	109.2	S416 V420	S416-T418 VanDerWaalsContact C-N 3.34Å; S416-T418 PolarHBondContact O-N 2.7Å; S416-T418 PolarHBondContact O-OG1 2.73Å; T418-V420 PolarHBondContact O-N 3Å
419	T	25.5	Very low	24.6	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	79%	0.785	S	S	*	*			trans	-69.3	112	168.8	38.3	0	0	0	0	108.7	V417 F421	V417-T419 PolarHBondContact O-N 2.9Å; T419-F421 PolarHBondContact O-N 3.06Å
420	V	21.6	Very low	24.6	Very low	119 Å²	119	133.8 Å²	133.8	72%	0.721	79%	0.785	S	S	*	*			trans	-74.8	95.5	-177.5	-178.4	0	0	0	0	109.2	T418 Q422	T418-V420 PolarHBondContact O-N 3Å; V420-Q422 VanDerWaalsContact C-N 3.34Å; V420-Q422 HydrophobicContact CG1-CG 4.26Å; V420-Q422 PolarHBondContact O-N 3.26Å
421	F	22.3	Very low	24.4	Very low	186 Å²	186	133.2 Å²	133.2	82%	0.816	78%	0.779	S	S	*	*			trans	-68.6	87.4	172.8	-127.9	-84.3	0	0	0	109.6	T419 Q423	T419-F421 PolarHBondContact O-N 3.06Å; F421-Q423 PolarHBondContact O-N 2.73Å; F421-Q423 VanDerWaalsContact O-N 3.15Å
422	Q	25	Very low	24.7	Very low	175 Å²	175	130.9 Å²	130.9	82%	0.818	77%	0.774	S	S	*	*			trans	-70	108.6	168.7	-76.8	-168.4	-22.1	0	0	109.2	V420	V420-Q422 VanDerWaalsContact C-N 3.34Å; V420-Q422 HydrophobicContact CG1-CG 4.26Å; V420-Q422 PolarHBondContact O-N 3.26Å
423	Q	23.7	Very low	24.7	Very low	161 Å²	161	132.6 Å²	132.6	75%	0.752	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-70.6	138.1	166.7	-66.9	-177.9	-22.4	0	0	109.2	F421 I425	F421-Q423 PolarHBondContact O-N 2.73Å; F421-Q423 VanDerWaalsContact O-N 3.15Å; Q423-I425 PolarHBondContact O-N 3.14Å
424	P	25.9	Very low	24.7	Very low	115 Å²	115	135.5 Å²	135.5	75%	0.747	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.3	131.6	166.5	-22.1	33.4	0	0	0	109.9	M426	P424-M426 PolarHBondContact O-N 3.23Å; P424-M426 VanDerWaalsContact O-N 3.17Å
425	I	27.9	Very low	24.8	Very low	171 Å²	171	138.9 Å²	138.9	88%	0.877	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68	116.1	-174.8	-61.6	175	0	0	0	109.4	Q423 S427	Q423-I425 PolarHBondContact O-N 3.14Å; I425-S427 PolarHBondContact O-N 3.08Å
426	M	24.7	Very low	24.8	Very low	173 Å²	173	140.1 Å²	140.1	85%	0.852	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.1	125.9	175.8	-66.3	176	63	0	0	110.3	P424	P424-M426 PolarHBondContact O-N 3.23Å; P424-M426 VanDerWaalsContact O-N 3.17Å
427	S	27	Very low	25	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-67.2	146.2	164.2	-69.8	0	0	0	0	110.4	I425	I425-S427 PolarHBondContact O-N 3.08Å
428	P	29.5	Very low	25.2	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.6	146.5	-171.3	27.2	-35.2	0	0	0	112.9
429	A	24.9	Very low	25.8	Very low	98 Å²	98	142.5 Å²	142.5	81%	0.81	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.8	135.8	178.1	0	0	0	0	0	112.1
430	M	24.4	Very low	25.7	Very low	166 Å²	166	146.3 Å²	146.3	82%	0.818	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.3	138.1	168.3	-82.1	-72.6	-72.1	0	0	110.7
431	P	26.5	Very low	25.9	Very low	99 Å²	99	144.8 Å²	144.8	64%	0.643	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-62.9	148.2	172.6	-21.2	33.1	0	0	0	112.1	L433	P431-L433 PolarHBondContact O-N 3.39Å
432	P	27.7	Very low	25.9	Very low	126 Å²	126	143.5 Å²	143.5	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.9	131.1	173.9	27.8	-33.9	0	0	0	110.6
433	L	25.1	Very low	25.8	Very low	163 Å²	163	140.8 Å²	140.8	85%	0.853	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69.5	130.8	177.3	-71.7	171.8	0	0	0	111	P431 L435	P431-L433 PolarHBondContact O-N 3.39Å; L433-L435 PolarHBondContact O-N 3.21Å
434	L	23.3	Very low	25.8	Very low	173 Å²	173	142 Å²	142	91%	0.906	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.1	128.3	168.8	-79.5	155.4	0	0	0	110.2
435	L	25.7	Very low	25.7	Very low	171 Å²	171	142.1 Å²	142.1	90%	0.895	81%	0.805	S	S	*	*			trans	-91.7	96.2	169.5	-85.2	164.3	0	0	0	109.5	L433	L433-L435 PolarHBondContact O-N 3.21Å
436	D	24	Very low	25.5	Very low	156 Å²	156	138 Å²	138	83%	0.834	80%	0.797	S	S	*	*			trans	-72.7	130.1	168.4	-105.2	-26.7	0	0	0	110.5
437	P	27.1	Very low	25.6	Very low	114 Å²	114	138.6 Å²	138.6	74%	0.74	80%	0.797	S	S	*	*			trans	-87.6	135.5	178.1	33.4	-32.7	0	0	0	112
438	L	25.9	Very low	25.6	Very low	174 Å²	174	142 Å²	142	91%	0.911	80%	0.801	S	S	*	*			trans	-116.3	138.3	163.1	-82.2	172	0	0	0	110.9
439	P	33.3	Very low	25.5	Very low	100 Å²	100	141.9 Å²	141.9	65%	0.649	80%	0.798	S	S	*	*			trans	-89.8	159.9	-171.2	36.4	-36.8	0	0	0	112.7
440	H	25.3	Very low	25.5	Very low	195 Å²	195	145.9 Å²	145.9	90%	0.903	80%	0.8	S	S	*	*				-162.9	158.2	121.2	-94.8	-57.4	0	0	0	110.2
441	A	23.7	Very low	25.5	Very low	88 Å²	88	146.7 Å²	146.7	73%	0.727	80%	0.802	S	S	*	*			trans	-105.3	173.1	-167.1	0	0	0	0	0	113.2
442	L	23.9	Very low	25.5	Very low	159 Å²	159	149.1 Å²	149.1	83%	0.832	81%	0.814	S	S	*	*				178.2	120.7	121.6	-91.7	162.4	0	0	0	112.7
443	V	23.3	Very low	25.4	Very low	118 Å²	118	149.7 Å²	149.7	72%	0.715	81%	0.811	S	S	*	*			trans	51.8	107.4	132.9	175.3	0	0	0	0	116.5
444	K	23.6	Very low	25.6	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	80%	0.796	S	S	*	*				-173.6	-177.8	52.9	-115.8	164.6	179	-175.1	0	109.1
445	T	23.3	Very low	25.8	Very low	117 Å²	117	144.6 Å²	144.6	72%	0.718	78%	0.784	S	S	*	*			cis	-150.5	155	1.7	6.2	0	0	0	0	106
446	A	24.2	Very low	26	Very low	86 Å²	86	143.7 Å²	143.7	71%	0.711	77%	0.773	S	S	*	*				79.3	137.7	58.6	0	0	0	0	0	116.1
447	E	26.1	Very low	26.3	Very low	184 Å²	184	144.1 Å²	144.1	86%	0.86	77%	0.767	S	S	*	*			trans	76.4	113.6	-168.8	-60.8	170.5	-159.8	0	0	113.1
448	E	26.8	Very low	26.2	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	76%	0.762	S	S	*	*			cis	80.3	136.4	45.5	-64	-177.5	-162.6	0	0	113.9
449	V	26.5	Very low	26.2	Very low	125 Å²	125	140.7 Å²	140.7	76%	0.758	75%	0.751	S	S	*	*			cis	-105.2	-132.8	-1.8	-145	0	0	0	0	110.4
450	E	26.1	Very low	25.8	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	76%	0.759	S	S	*	*			cis	-153.4	171.9	-1.9	-153.3	161.6	-108.4	0	0	109.3
451	E	24.1	Very low	25.9	Very low	182 Å²	182	143.2 Å²	143.2	85%	0.85	76%	0.76	S	S	*	*			trans	-128.5	151.1	-168.6	-54.5	174	132	0	0	114.7
452	V	25.8	Very low	26.1	Very low	150 Å²	150	147.8 Å²	147.8	91%	0.909	77%	0.766	S	S	*	*			trans	-150.8	138.5	138.8	-176.9	0	0	0	0	110.5
453	D	26.2	Very low	26.7	Very low	139 Å²	139	145.6 Å²	145.6	74%	0.743	76%	0.761	S	S	*	*			trans	-136.7	156.4	-178.8	-170.5	44.2	0	0	0	107.8
454	V	30.5	Very low	26.8	Very low	90 Å²	90	149.1 Å²	149.1	55%	0.545	77%	0.772	S	S	.	*			cis	-130.8	-152.7	17.7	-140.4	0	0	0	0	110
455	E	26	Very low	26.9	Very low	139 Å²	139	149.5 Å²	149.5	65%	0.65	78%	0.777	S	S	*	*			cis	-152.9	134.9	19.2	-165.1	103.8	-89.9	0	0	114.5
456	K	30.7	Very low	27	Very low	152 Å²	152	152.2 Å²	152.2	66%	0.661	78%	0.783	S	S	*	*			trans	2.1	151.7	141.9	-52	155.7	-166.1	137.5	0	118.1
457	K	29.1	Very low	27.1	Very low	165 Å²	165	154.6 Å²	154.6	72%	0.717	79%	0.789	S	S	*	*			cis	-164.5	-175.8	6.7	-122.1	168.7	160.1	-74.7	0	106.5
458	D	24.9	Very low	27.1	Very low	117 Å²	117	151.6 Å²	151.6	63%	0.626	78%	0.783	S	S	*	*			cis	-161.3	174.6	6.8	-125.4	-28.1	0	0	0	107.2
459	S	26.6	Very low	27	Very low	99 Å²	99	152 Å²	152	69%	0.692	79%	0.785	S	S	*	*			cis	-158.7	171.7	-4.8	56.2	0	0	0	0	109.5
460	D	25.4	Very low	27	Very low	152 Å²	152	155.3 Å²	155.3	81%	0.813	79%	0.789	S	S	*	*			trans	-83.5	152.9	178.6	-46.7	-80.5	0	0	0	115
461	E	27.6	Very low	26.9	Very low	196 Å²	196	153.4 Å²	153.4	92%	0.916	78%	0.784	S	S	*	*				176.9	148.9	111.3	-93.9	-176.2	176.7	0	0	112.4
462	E	28	Very low	27.2	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	78%	0.779	S	S	*	*			trans	-96.4	-166.5	173.1	-43.4	-177.1	129.8	0	0	110.2
463	P	36.2	Very low	27.2	Very low	113 Å²	113	153.6 Å²	153.6	73%	0.734	78%	0.78	S	S	*	*			cis	-128	-170.4	-19.9	40.2	-23.9	0	0	0	112.4
464	M	25.6	Very low	28	Very low	192 Å²	192	152.4 Å²	152.4	95%	0.946	78%	0.779	S	S	*	*			trans	-140.5	140.2	157.9	-87.1	-164.7	166.1	0	0	113.1
465	E	26	Very low	27.8	Very low	193 Å²	193	157.7 Å²	157.7	90%	0.902	80%	0.798	S	S	*	*			trans	-91.6	178.2	175.4	-74.2	-169.6	106	0	0	112.9
466	M	24.5	Very low	28	Very low	174 Å²	174	155.4 Å²	155.4	86%	0.857	80%	0.803	S	S	*	*			trans	-72.7	157	175.4	-50.3	179.6	-67.6	0	0	112.5
467	V	25.7	Very low	27.8	Very low	137 Å²	137	157.4 Å²	157.4	83%	0.83	82%	0.815	S	S	*	*				176.1	147.3	115.4	150.9	0	0	0	0	112.6
468	V	27	Very low	27.7	Very low	121 Å²	121	154 Å²	154	73%	0.733	82%	0.818	S	S	*	*			trans	-41.7	136.2	173.9	-178.3	0	0	0	0	117.6
469	E	25.1	Very low	27.7	Very low	190 Å²	190	155.9 Å²	155.9	89%	0.888	83%	0.827	S	S	*	*			trans	-149.8	136.7	140.1	-105.5	159.1	-161.6	0	0	106.9
470	K	25.4	Very low	28.7	Very low	193 Å²	193	155.4 Å²	155.4	84%	0.839	82%	0.822	S	S	*	*			cis	96.7	159	25.8	-128.9	-170.9	-175.5	-165.7	0	114.7
471	L	25.5	Very low	28.9	Very low	144 Å²	144	156.6 Å²	156.6	75%	0.754	82%	0.823	S	S	*	*			trans	-91.2	163.1	-152	-92.2	153.4	0	0	0	115.6
472	D	28.6	Very low	29	Very low	141 Å²	141	154 Å²	154	75%	0.754	81%	0.81	S	S	*	*			trans	73.3	126.9	155.3	-54.3	-32.9	0	0	0	120.7
473	E	27.5	Very low	29.1	Very low	195 Å²	195	152.6 Å²	152.6	91%	0.911	80%	0.802	S	S	*	*			trans	-139.4	159.5	144.9	-88.2	-145	137.2	0	0	110.3
474	P	43.2	Very low	28.6	Very low	114 Å²	114	153.6 Å²	153.6	74%	0.74	80%	0.801	S	S	*	*			trans	-126.7	-176	-151.6	43.6	-30.3	0	0	0	115.3
475	E	25.6	Very low	28.6	Very low	201 Å²	201	150.7 Å²	150.7	94%	0.939	79%	0.794	S	S	*	*			trans	-151.4	159.9	144.4	-122.7	171.3	-155.6	0	0	111.6
476	A	29.4	Very low	28.6	Very low	91 Å²	91	145.5 Å²	145.5	75%	0.752	78%	0.784	S	S	*	*			trans	-119.8	178.2	-173.1	0	0	0	0	0	110.5
477	E	27.3	Very low	29.5	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	78%	0.777	S	S	*	*			cis	-122.8	-160.1	12.5	-58.5	-175.8	115.4	0	0	110
478	A	26.3	Very low	29.6	Very low	95 Å²	95	143.2 Å²	143.2	79%	0.785	78%	0.775	S	S	*	*			cis	-157.3	-167.1	12.6	0	0	0	0	0	112.5
479	D	25.5	Very low	29.6	Very low	155 Å²	155	145 Å²	145	83%	0.829	78%	0.779	S	S	*	*			trans	-146.1	-179.7	-169.7	-142.3	14.2	0	0	0	108.4
480	P	48.3	Very low	29.7	Very low	89 Å²	89	139.4 Å²	139.4	58%	0.578	77%	0.766	S	S	*	*			cis	-141.7	-165.6	-3.6	44.2	-24.8	0	0	0	116.2
481	E	29.1	Very low	29.9	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	76%	0.759	S	S	*	*			trans	73	148.6	154.9	-72.4	177.9	-161.2	0	0	121.1
482	E	30.3	Very low	30.1	Very low	141 Å²	141	136.4 Å²	136.4	66%	0.659	75%	0.753	S	S	*	*			cis	-167.3	141.3	-39.9	-129.1	-151.7	166.3	0	0	112.1
483	K	29.1	Very low	30.1	Very low	155 Å²	155	137.9 Å²	137.9	67%	0.674	76%	0.757	S	S	*	*			trans	61.2	170.4	161.4	-56.6	-171	172.3	80.4	0	117.5
484	D	25.8	Very low	30.1	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	74%	0.744	S	S	*	*			cis	-156.1	163.7	10.7	-147.2	-11	0	0	0	115.5
485	V	26	Very low	29.3	Very low	130 Å²	130	135.2 Å²	135.2	79%	0.788	75%	0.748	S	S	*	*			trans	58.5	151.3	162.9	-123.9	0	0	0	0	123.8
486	A	24.8	Very low	29.4	Very low	85 Å²	85	132.3 Å²	132.3	70%	0.702	74%	0.739	S	S	*	*			trans	-137.7	-152.4	171.3	0	0	0	0	0	108.4
487	P	43.8	Very low	29.3	Very low	108 Å²	108	136 Å²	136	70%	0.701	75%	0.745	S	S	*	*			cis	-138.6	-168.9	-12.1	32.7	-8	0	0	0	115.5
488	I	27.1	Very low	29.6	Very low	155 Å²	155	136.1 Å²	136.1	80%	0.795	74%	0.743	S	S	*	*			trans	64	168.2	167.8	28.2	178.6	0	0	0	117.6
489	L	27.1	Very low	30.3	Very low	157 Å²	157	136.5 Å²	136.5	82%	0.822	74%	0.738	S	S	*	*			cis	-126.4	-137	19.1	-129.1	-177.7	0	0	0	115.2
490	A	27.3	Very low	30.4	Very low	74 Å²	74	136.5 Å²	136.5	61%	0.612	73%	0.734	S	S	*	*			trans	-163.1	166.3	-152.6	0	0	0	0	0	115.6
491	D	29.9	Very low	29.4	Very low	130 Å²	130	138.1 Å²	138.1	70%	0.695	74%	0.738	S	S	*	*			trans	65.9	152.7	162.3	-86.6	7.8	0	0	0	118.5
492	K	29.8	Very low	29.3	Very low	144 Å²	144	134.9 Å²	134.9	63%	0.626	73%	0.73	S	S	*	*			cis	-172.8	165.3	-15.2	-121.3	-178.8	-167.8	83	0	110.7
493	M	28.6	Very low	29.2	Very low	171 Å²	171	134.4 Å²	134.4	84%	0.842	73%	0.732	S	S	*	*			trans	69.3	159.8	157.1	-54.5	-119.1	-175.5	0	0	118.6
494	A	27	Very low	29.2	Very low	77 Å²	77	133.7 Å²	133.7	64%	0.636	73%	0.729	S	S	*	*			cis	-169.3	161	-28.1	0	0	0	0	0	112
495	E	28	Very low	29.2	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	73%	0.728	S	S	*	*			trans	55.8	126.5	149.4	-71.1	170.2	175.7	0	0	124.6
496	D	26.5	Very low	29.2	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	73%	0.726	S	S	*	*			trans	47.7	131.5	135.2	-64.3	3.3	0	0	0	124.8
497	L	26.9	Very low	29.2	Very low	168 Å²	168	137.5 Å²	137.5	88%	0.88	74%	0.736	S	S	*	*				-179.7	153.5	97.9	-91.3	173.3	0	0	0	114.2
498	K	33.6	Very low	28.4	Very low	195 Å²	195	137.4 Å²	137.4	85%	0.848	75%	0.745	S	S	*	*			trans	-112.9	-179.6	162	-77.3	-174.2	177.9	179	0	107.8
499	P	41.3	Very low	28.2	Very low	104 Å²	104	139 Å²	139	68%	0.675	75%	0.749	S	S	*	*			cis	-145.1	-163.2	13.7	45	-24.4	0	0	0	116.4
500	M	27.7	Very low	28.1	Very low	155 Å²	155	136.6 Å²	136.6	76%	0.764	75%	0.745	S	S	*	*			trans	71.5	156.8	155.1	-76.3	157.9	67.4	0	0	117.8
501	D	28.1	Very low	28	Very low	122 Å²	122	142.8 Å²	142.8	65%	0.652	76%	0.758	S	S	*	*			cis	-145.5	-170.9	12.7	-136.8	-30.8	0	0	0	115.2
502	T	27.3	Very low	27.8	Very low	109 Å²	109	141.5 Å²	141.5	67%	0.669	76%	0.759	S	S	*	*			trans	-87.5	168.6	-159.6	41.8	0	0	0	0	119.7
503	D	27.3	Very low	27.8	Very low	131 Å²	131	140.3 Å²	140.3	70%	0.701	77%	0.766	S	S	*	*			trans	70.8	153.6	148.1	-78.7	17.4	0	0	0	120.4
504	K	29	Very low	27.5	Very low	140 Å²	140	140.2 Å²	140.2	61%	0.609	76%	0.764	S	S	*	*			cis	-159.7	168.7	2.9	-130.3	164.4	-179.8	-82.1	0	112.6
505	E	27	Very low	27.4	Very low	150 Å²	150	145.2 Å²	145.2	70%	0.701	77%	0.774	S	S	*	*			trans	22.6	141.5	146.2	-72	154	-170.4	0	0	120.9
506	S	24.9	Very low	27.2	Very low	107 Å²	107	142.3 Å²	142.3	75%	0.748	77%	0.773	S	S	*	*			cis	-174.1	153.9	48.3	53.6	0	0	0	0	116
507	L	25.8	Very low	27.2	Very low	174 Å²	174	143.6 Å²	143.6	91%	0.911	78%	0.778	S	S	*	*			trans	13.6	131.4	145.6	-62.1	165.9	0	0	0	122.5
508	A	25.4	Very low	27.3	Very low	106 Å²	106	144.6 Å²	144.6	88%	0.876	78%	0.778	S	S	*	*			trans	-162.6	155.1	135.1	0	0	0	0	0	112
509	E	24	Very low	27	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	78%	0.781	S	S	*	*			trans	-95.1	159.7	-178.2	-51.6	166.2	114.3	0	0	112.9
510	S	25.2	Very low	26.2	Very low	106 Å²	106	147 Å²	147	74%	0.741	79%	0.789	S	S	*	*				170.9	134.8	110.3	46.7	0	0	0	0	116.9
511	K	25.6	Very low	26.2	Very low	203 Å²	203	144.8 Å²	144.8	88%	0.883	79%	0.789	S	S	*	*			trans	61.3	128.3	141.2	-65.9	176.7	179.9	179.5	0	122.4
512	S	25.5	Very low	26.2	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	79%	0.791	S	S	*	*			trans	-74.9	174.2	152.7	52.1	0	0	0	0	112.4
513	P	29.4	Very low	26.2	Very low	118 Å²	118	141.9 Å²	141.9	77%	0.766	79%	0.793	S	S	*	*				-131.8	176.3	102.3	39.3	-32.1	0	0	0	114.2
514	E	23.1	Very low	26.1	Very low	170 Å²	170	144 Å²	144	79%	0.794	80%	0.804	S	S	*	*			trans	-77.6	157.9	179.8	-53	108.3	127.7	0	0	114.3
515	E	23.9	Very low	26.2	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	81%	0.809	S	S	*	*				-176.6	157.7	103.3	-98.3	-170.5	158.4	0	0	113.6
516	S	23.8	Very low	26.2	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	81%	0.811	S	S	*	*			trans	50.6	100.3	166.6	60.8	0	0	0	0	119.3
517	I	26.6	Very low	26.5	Very low	169 Å²	169	141.6 Å²	141.6	87%	0.867	81%	0.812	S	S	*	*			trans	-115.1	124.4	146.3	-66.3	176.2	0	0	0	106.6
518	Q	28.5	Very low	26.6	Very low	189 Å²	189	141.8 Å²	141.8	88%	0.883	81%	0.81	S	S	*	*			trans	-94.8	150.8	157.7	-77.7	-170.8	-66.9	0	0	108.7
519	E	28.1	Very low	26.8	Very low	192 Å²	192	146 Å²	146	90%	0.897	81%	0.812	S	S	*	*			trans	-71.3	132.3	-173.7	-60.7	164.9	139.3	0	0	110.9
520	D	23.9	Very low	27.2	Very low	158 Å²	158	142.8 Å²	142.8	85%	0.845	81%	0.806	S	S	*	*			trans	-132.6	139.9	150.3	-162.5	3.4	0	0	0	108
521	S	27.6	Very low	27.6	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	81%	0.813	S	S	*	*			trans	-149	142.5	-169	-69.3	0	0	0	0	109.2
522	G	28	Very low	27.9	Very low	68 Å²	68	143.1 Å²	143.1	70%	0.701	81%	0.809	S	S	*	*			cis	179	147.2	-0.6	0	0	0	0	0	107.6	D524	G522-D524 PolarHBondContact O-N 3.5Å
523	S	27.2	Very low	28.3	Very low	101 Å²	101	145.5 Å²	145.5	71%	0.706	81%	0.808	S	S	*	*			trans	-67.7	128	-170.2	56.4	0	0	0	0	113	I525	S523-I525 PolarHBondContact O-N 2.76Å
524	D	26.5	Very low	28.6	Very low	175 Å²	175	148 Å²	148	94%	0.936	81%	0.814	S	S	*	*			trans	-61.7	99.4	171	-83.6	-49.3	0	0	0	111.6	G522	G522-D524 PolarHBondContact O-N 3.5Å
525	I	29.3	Very low	29.3	Very low	138 Å²	138	149.7 Å²	149.7	71%	0.708	82%	0.819	S	S	*	*			trans	-116.1	113.3	166	-63	177.6	0	0	0	106.6	S523	S523-I525 PolarHBondContact O-N 2.76Å
526	A	28	Very low	29.8	Very low	92 Å²	92	148.7 Å²	148.7	76%	0.76	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.1	127.9	176.3	0	0	0	0	0	110.2
527	P	30.9	Very low	30.4	Very low	118 Å²	118	150.9 Å²	150.9	77%	0.766	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.8	136	-173.8	28.3	-34.6	0	0	0	111.8	Q529	P527-Q529 PolarHBondContact O-N 3.17Å
528	M	28.2	Very low	31.2	Very low	177 Å²	177	150.8 Å²	150.8	87%	0.872	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.9	128.2	164	-70.2	171.3	56.4	0	0	109.3	T530	M528-T530 PolarHBondContact O-N 3.37Å
529	Q	30	Very low	33	Very low	194 Å²	194	148.5 Å²	148.5	91%	0.907	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-72.1	121.1	172.2	-69.1	-178.6	-54.3	0	0	110.1	P527	P527-Q529 PolarHBondContact O-N 3.17Å
530	T	31.3	Very low	34.3	Very low	123 Å²	123	145 Å²	145	76%	0.755	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-90.9	148.9	166.3	49.2	0	0	0	0	110.5	M528 D532	M528-T530 PolarHBondContact O-N 3.37Å; T530-D532 VanDerWaalsContact C-N 3.27Å; T530-D532 PolarHBondContact O-N 3.09Å
531	D	34.3	Very low	36	Very low	169 Å²	169	139 Å²	139	90%	0.904	76%	0.763	S	S	*	*	S	Bend	trans	-81.3	48.4	-156	-153.2	12.5	0	0	0	115
532	D	32.8	Very low	37.7	Very low	147 Å²	147	135.3 Å²	135.3	79%	0.786	74%	0.742	S	S	*	*			trans	-135.6	33	-162.1	-132.7	-16.3	0	0	0	114.4	T530	T530-D532 VanDerWaalsContact C-N 3.27Å; T530-D532 PolarHBondContact O-N 3.09Å
533	Q	33.6	Very low	39.2	Very low	154 Å²	154	138.4 Å²	138.4	72%	0.72	75%	0.75	S	S	*	*			trans	-129.6	40.8	176.4	-70.4	-164	-6.6	0	0	114.9	K535	Q533-K535 PolarHBondContact O-N 3.4Å
534	L	34.3	Very low	40.8	Very low	169 Å²	169	141.4 Å²	141.4	89%	0.885	76%	0.758	S	S	*	*			trans	-75.8	58.3	167.4	-76.3	174	0	0	0	113
535	K	37.6	Very low	42.6	Very low	206 Å²	206	137.9 Å²	137.9	90%	0.896	74%	0.736	S	S	*	*			trans	178.7	90.9	158.2	-100.3	152.3	-172	171.1	0	110.4	Q533	Q533-K535 PolarHBondContact O-N 3.4Å
536	Q	36.3	Very low	43.4	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	74%	0.743	S	S	*	*			trans	-136.2	129.1	160.6	-158.4	170.3	28.3	0	0	107.3
537	D	34.5	Very low	44.6	Very low	161 Å²	161	141.7 Å²	141.7	86%	0.861	74%	0.741	S	S	*	*			trans	-66	138.9	-177.3	-66.5	-60	0	0	0	110.4	Y539	D537-Y539 PolarHBondContact O-N 2.92Å
538	L	44.5	Very low	45.7	Very low	166 Å²	166	140 Å²	140	87%	0.869	73%	0.725	S	S	*	*			trans	-59.9	113.5	177.8	-74.7	164.5	0	0	0	109.5	V540	L538-V540 PolarHBondContact O-N 3.38Å; L538-V540 VanDerWaalsContact O-N 3.16Å
539	Y	65.9	Low	47	Very low	141 Å²	141	138.9 Å²	138.9	55%	0.553	72%	0.716	S	S	*	*			trans	-63.4	116.3	172.5	172.8	-128.4	0	0	0	108.9	D537 E545 L548	D537-Y539 PolarHBondContact O-N 2.92Å; Y539-E545 VanDerWaalsContact OH-CD 3.32Å; Y539-E545 PolarHBondContact OH-OE1 3.1Å; Y539-E545 PolarHBondContact OH-OE2 3.11Å; Y539-L548 HydrophobicContact CD1-CD1 3.92Å; Y539-L548 HydrophobicContact CD1-CD2 4.08Å; Y539-L548 HydrophobicContact CD1-CG 4.38Å; Y539-L548 HydrophobicContact CE1-CD1 4.48Å; Y539-L548 HydrophobicContact CE1-CD2 4.07Å; Y539-L548 HydrophobicContact CE1-CG 4.5Å; Y539-L548 WeakPolarHBondContact O-CD1 3.46Å
540	V	56	Low	48.4	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.715	71%	0.707	S	S	*	*			trans	-105.9	117.4	173.7	-179.9	0	0	0	0	107	L538	L538-V540 PolarHBondContact O-N 3.38Å; L538-V540 VanDerWaalsContact O-N 3.16Å
541	P	59.9	Low	50	Low	34 Å²	34	132.3 Å²	132.3	22%	0.221	69%	0.69	C	S	.	*			trans	-65.8	148.1	-179.2	27.1	-34.3	0	0	0	111.3	E545 L548	P541-E545 WeakPolarHBondContact CA-OE2 3.38Å; P541-E545 HydrophobicContact CB-CB 3.98Å; P541-L548 HydrophobicContact CG-CG 4.16Å
542	G	63.5	Low	52.2	Low	30 Å²	30	130 Å²	130	31%	0.309	67%	0.674	S	S	.	*			trans	-65.3	163.2	173.7	0	0	0	0	0	112.9	D544 E545	G542-D544 PolarHBondContact O-N 3.29Å; G542-D544 VanDerWaalsContact O-N 3.11Å; G542-E545 PolarHBondContact N-OE2 3.02Å; G542-E545 PolarHBondContact O-N 2.74Å
543	P	58.8	Low	54.7	Low	133 Å²	133	127.3 Å²	127.3	86%	0.864	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-17.8	-177.3	27.2	-35.9	0	0	0	114.5
544	D	59.9	Low	57.5	Low	164 Å²	164	120.7 Å²	120.7	88%	0.877	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	0	177	-56.4	-68.6	0	0	0	113.1	G542	G542-D544 PolarHBondContact O-N 3.29Å; G542-D544 VanDerWaalsContact O-N 3.11Å
545	E	65.7	Low	60.4	Low	100 Å²	100	114.9 Å²	114.9	47%	0.467	61%	0.607	S	S	.	*	S	Bend	trans	-88.9	154.3	175.7	-63.5	-173.5	136.1	0	0	110.5	Y539 P541 G542	Y539-E545 VanDerWaalsContact OH-CD 3.32Å; Y539-E545 PolarHBondContact OH-OE1 3.1Å; Y539-E545 PolarHBondContact OH-OE2 3.11Å; P541-E545 WeakPolarHBondContact CA-OE2 3.38Å; P541-E545 HydrophobicContact CB-CB 3.98Å; G542-E545 PolarHBondContact N-OE2 3.02Å; G542-E545 PolarHBondContact O-N 2.74Å
546	K	45.6	Very low	63.2	Low	197 Å²	197	106.8 Å²	106.8	86%	0.857	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-60.4	129.2	172.2	-83.9	-169.1	174.6	-173.2	0	108.7	L548	K546-L548 PolarHBondContact O-N 3.35Å
547	P	53.4	Low	66	Low	113 Å²	113	105.3 Å²	105.3	73%	0.734	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-60.4	138.3	176.6	25.4	-33.7	0	0	0	109.8	F549	P547-F549 PolarHBondContact O-N 2.85Å
548	L	52.6	Low	69	Low	82 Å²	82	97.9 Å²	97.9	43%	0.429	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-57.6	132.9	174.3	-70.5	174.3	0	0	0	109.5	Y539 P541 K546 T550	Y539-L548 HydrophobicContact CD1-CD1 3.92Å; Y539-L548 HydrophobicContact CD1-CD2 4.08Å; Y539-L548 HydrophobicContact CD1-CG 4.38Å; Y539-L548 HydrophobicContact CE1-CD1 4.48Å; Y539-L548 HydrophobicContact CE1-CD2 4.07Å; Y539-L548 HydrophobicContact CE1-CG 4.5Å; Y539-L548 WeakPolarHBondContact O-CD1 3.46Å; P541-L548 HydrophobicContact CG-CG 4.16Å; K546-L548 PolarHBondContact O-N 3.35Å; L548-T550 VanDerWaalsContact C-N 3.34Å; L548-T550 PolarHBondContact O-N 3.46Å; L548-T550 PolarHBondContact O-OG1 3.01Å
549	F	56.8	Low	71.5	Confident	154 Å²	154	90 Å²	90	68%	0.675	49%	0.485	S	S	*	.			trans	-64.3	97.4	174.7	-176.7	-95.2	0	0	0	109.2	P547 P551	P547-F549 PolarHBondContact O-N 2.85Å; F549-P551 HydrophobicContact CE1-CB 4.01Å; F549-P551 WeakPolarHBondContact O-CD 3.46Å
550	T	58.1	Low	73	Confident	116 Å²	116	84.7 Å²	84.7	71%	0.712	47%	0.468	S	S	*	.			trans	-98.8	105.2	175.1	33.2	0	0	0	0	106.4	L548 E552	L548-T550 VanDerWaalsContact C-N 3.34Å; L548-T550 PolarHBondContact O-N 3.46Å; L548-T550 PolarHBondContact O-OG1 3.01Å; T550-E552 PolarHBondContact O-N 3.22Å
551	P	65.8	Low	75	Confident	63 Å²	63	79.8 Å²	79.8	41%	0.409	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-65	128.5	-176.8	24.4	-32.4	0	0	0	110.2	F549 N631	F549-P551 HydrophobicContact CE1-CB 4.01Å; F549-P551 WeakPolarHBondContact O-CD 3.46Å; P551-N631 HydrophobicContact CB-CB 3.49Å; P551-N631 VanDerWaalsContact CB-CB 3.49Å; P551-N631 HydrophobicContact CG-CB 4.34Å
552	E	80.4	Confident	76.8	Confident	122 Å²	122	78.1 Å²	78.1	57%	0.57	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-60.9	131.5	171.3	-67.8	-176.9	162.9	0	0	109.9	T550 R628	T550-E552 PolarHBondContact O-N 3.22Å; E552-R628 HydrophobicContact CB-CG 3.83Å; E552-R628 WeakPolarHBondContact O-CG 3.41Å; E552-R628 WeakPolarHBondContact OE2-CD 3.44Å; E552-R628 IonicContact OE2-CZ 2.79Å; E552-R628 IonicContact OE2-NE 2.78Å; E552-R628 IonicContact OE2-NH1 3.14Å; E552-R628 PolarHBondContact OE2-NH1 3.1Å
553	P	85.6	Confident	78.4	Confident	89 Å²	89	76.8 Å²	76.8	58%	0.578	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-69.1	150.6	174	30.1	-34.8	0	0	0	110.5	R628	P553-R628 WeakPolarHBondContact O-CD 3.33Å
554	P	92.8	Very high	80.2	Confident	15 Å²	15	71.6 Å²	71.6	10%	0.097	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-52.2	145.9	170.6	-25.9	34.6	0	0	0	112.6	L377 F380 L629	L377-P554 HydrophobicContact CD1-CB 4.4Å; L377-P554 WeakPolarHBondContact CD1-O 3.45Å; F380-P554 HydrophobicContact CB-CG 4.43Å; F380-P554 HydrophobicContact CD1-CG 4.34Å; P554-L629 HydrophobicContact CB-CD2 4.28Å; P554-L629 HydrophobicContact CG-CD2 4.21Å
555	T	95	Very high	81.9	Confident	48 Å²	48	64 Å²	64	29%	0.294	34%	0.336	S	S	.	.			trans	-107	168.1	178.9	63.9	0	0	0	0	112	E557 D558 L559	T555-E557 PolarHBondContact O-N 3.29Å; T555-D558 WeakPolarHBondContact CB-OD2 3.37Å; T555-D558 PolarHBondContact N-OD2 2.74Å; T555-D558 WeakPolarHBondContact O-CB 3.36Å; T555-D558 PolarHBondContact O-N 3.49Å; T555-D558 PolarHBondContact OG1-N 3.07Å; T555-D558 PolarHBondContact OG1-OD2 3.05Å; T555-L559 PolarHBondContact O-N 3.49Å
556	L	95.9	Very high	83.4	Confident	36 Å²	36	60.1 Å²	60.1	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-33.8	172.4	-177.6	57.5	0	0	0	110.9	L373 L377 D558 L559 C560	L373-L556 HydrophobicContact CB-CD1 3.88Å; L377-L556 HydrophobicContact CD2-CB 4.07Å; L556-D558 VanDerWaalsContact C-N 3.35Å; L556-L559 PolarHBondContact O-N 2.7Å; L556-C560 WeakPolarHBondContact O-CB 3.49Å; L556-C560 PolarHBondContact O-N 2.95Å; L556-C560 PolarHBondContact O-SG 2.88Å
557	E	96.2	Very high	85.8	Confident	130 Å²	130	51.6 Å²	51.6	61%	0.607	28%	0.281	S	S	*	.	H	α-helix	trans	-63.7	-39.4	176.6	-69.5	62.1	-142.8	0	0	111.5	T555 C560 L561	T555-E557 PolarHBondContact O-N 3.29Å; E557-C560 PolarHBondContact O-N 3.38Å; E557-L561 WeakPolarHBondContact O-CB 3.11Å; E557-L561 PolarHBondContact O-N 3.13Å
558	D	96.3	Very high	87.8	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-47.1	172	-66	-49.9	0	0	0	111.4	T555 L556 C560 L561 L562 M625 R628	T555-D558 WeakPolarHBondContact CB-OD2 3.37Å; T555-D558 PolarHBondContact N-OD2 2.74Å; T555-D558 WeakPolarHBondContact O-CB 3.36Å; T555-D558 PolarHBondContact O-N 3.49Å; T555-D558 PolarHBondContact OG1-N 3.07Å; T555-D558 PolarHBondContact OG1-OD2 3.05Å; L556-D558 VanDerWaalsContact C-N 3.35Å; D558-C560 VanDerWaalsContact C-N 3.34Å; D558-C560 PolarHBondContact O-N 3.26Å; D558-L561 PolarHBondContact O-N 3.15Å; D558-L562 VanDerWaalsContact O-CB 3.3Å; D558-L562 WeakPolarHBondContact O-CB 3.48Å; D558-L562 PolarHBondContact O-N 3.45Å; D558-M625 HydrophobicContact CB-CB 4.38Å; D558-M625 HydrophobicContact CB-CG 3.88Å; D558-M625 VanDerWaalsContact OD1-CA 3.31Å; D558-M625 WeakPolarHBondContact OD1-CA 3.41Å; D558-R628 IonicContact OD1-CZ 3.36Å; D558-R628 IonicContact OD1-NE 3.7Å; D558-R628 PolarHBondContact OD1-NE 3.21Å; D558-R628 IonicContact OD1-NH2 3.25Å; D558-R628 PolarHBondContact OD1-NH2 2.96Å; D558-R628 IonicContact OD2-CZ 2.73Å; D558-R628 IonicContact OD2-NE 3.65Å; D558-R628 PolarHBondContact OD2-NE 3.33Å; D558-R628 IonicContact OD2-NH2 3.22Å; D558-R628 PolarHBondContact OD2-NH2 3.24Å
559	L	97.4	Very high	89.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-32.6	179.1	-63.3	-169.6	0	0	0	112.6	L373 W376 L377 F380 T555 L556 L562 A563 L629	L373-L559 HydrophobicContact CD2-CB 4.28Å; W376-L559 HydrophobicContact CE3-CD1 4.34Å; L377-L559 HydrophobicContact CB-CD1 3.88Å; L377-L559 HydrophobicContact CD1-CD1 3.68Å; L377-L559 HydrophobicContact CD1-CG 4.11Å; L377-L559 HydrophobicContact CG-CD1 4.4Å; F380-L559 HydrophobicContact CD2-CD1 3.99Å; F380-L559 HydrophobicContact CD2-CD2 4.31Å; F380-L559 HydrophobicContact CE1-CD2 4.26Å; F380-L559 HydrophobicContact CE2-CD1 3.67Å; F380-L559 HydrophobicContact CE2-CD2 3.61Å; F380-L559 HydrophobicContact CE2-CG 4.31Å; F380-L559 HydrophobicContact CZ-CD1 4.48Å; F380-L559 HydrophobicContact CZ-CD2 3.57Å; T555-L559 PolarHBondContact O-N 3.49Å; L556-L559 PolarHBondContact O-N 2.7Å; L559-L562 HydrophobicContact CD2-CD2 4.13Å; L559-A563 WeakPolarHBondContact O-CB 3.47Å; L559-A563 PolarHBondContact O-N 2.83Å; L559-L629 HydrophobicContact CD2-CD2 4.12Å
560	C	97.4	Very high	91	Very high	31 Å²	31	36.6 Å²	36.6	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-46	170.5	-67.1	0	0	0	0	111	L373 L556 E557 D558 A563 E564	L373-C560 HydrophobicContact CD1-CB 4.4Å; L556-C560 WeakPolarHBondContact O-CB 3.49Å; L556-C560 PolarHBondContact O-N 2.95Å; L556-C560 PolarHBondContact O-SG 2.88Å; E557-C560 PolarHBondContact O-N 3.38Å; D558-C560 VanDerWaalsContact C-N 3.34Å; D558-C560 PolarHBondContact O-N 3.26Å; C560-A563 PolarHBondContact O-N 3.25Å; C560-E564 WeakPolarHBondContact O-CB 3.48Å; C560-E564 VanDerWaalsContact O-CG 3.24Å; C560-E564 WeakPolarHBondContact O-CG 3.43Å; C560-E564 PolarHBondContact O-N 3.31Å
561	L	97.5	Very high	92.4	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-45.2	175.6	178	58.8	0	0	0	111.4	E557 D558 A563 E564 L565 K575 V622 M625	E557-L561 WeakPolarHBondContact O-CB 3.11Å; E557-L561 PolarHBondContact O-N 3.13Å; D558-L561 PolarHBondContact O-N 3.15Å; L561-A563 PolarHBondContact O-N 3.39Å; L561-E564 PolarHBondContact O-N 2.96Å; L561-L565 HydrophobicContact CD1-CD1 4.15Å; L561-L565 HydrophobicContact CD1-CG 4.12Å; L561-L565 HydrophobicContact CG-CD1 4.03Å; L561-L565 HydrophobicContact CG-CG 4.45Å; L561-L565 VanDerWaalsContact O-CG 3.24Å; L561-L565 WeakPolarHBondContact O-CG 3.44Å; L561-L565 PolarHBondContact O-N 2.85Å; L561-K575 HydrophobicContact CD1-CB 4.33Å; L561-K575 HydrophobicContact CD1-CD 3.87Å; L561-V622 HydrophobicContact CD1-CG2 4.45Å; L561-V622 HydrophobicContact CD2-CG2 4.15Å; L561-M625 HydrophobicContact CB-SD 4.14Å; L561-M625 HydrophobicContact CD2-CB 4.21Å; L561-M625 HydrophobicContact CD2-SD 4.06Å; L561-M625 HydrophobicContact CG-SD 3.86Å
562	L	97.9	Very high	93.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.5	-49.9	176.2	-179.3	69.7	0	0	0	111.6	L282 W376 D558 L559 E564 L565 F566 M625 L629 L641 I645	L282-L562 HydrophobicContact CD1-CD1 4.36Å; L282-L562 HydrophobicContact CD1-CD2 3.96Å; L282-L562 HydrophobicContact CD1-CG 3.71Å; W376-L562 HydrophobicContact CH2-CD2 4.45Å; W376-L562 HydrophobicContact CZ3-CD2 4.35Å; D558-L562 VanDerWaalsContact O-CB 3.3Å; D558-L562 WeakPolarHBondContact O-CB 3.48Å; D558-L562 PolarHBondContact O-N 3.45Å; L559-L562 HydrophobicContact CD2-CD2 4.13Å; L562-E564 VanDerWaalsContact C-N 3.33Å; L562-E564 PolarHBondContact O-N 3.01Å; L562-L565 PolarHBondContact O-N 2.81Å; L562-F566 HydrophobicContact CD1-CD2 3.91Å; L562-F566 HydrophobicContact CD1-CE2 4.12Å; L562-F566 PolarHBondContact O-N 3.4Å; L562-M625 HydrophobicContact CB-SD 3.81Å; L562-M625 HydrophobicContact CD1-CE 4.14Å; L562-M625 HydrophobicContact CD1-SD 4.3Å; L562-L629 HydrophobicContact CD1-CD1 4.17Å; L562-L629 HydrophobicContact CD2-CD1 4.18Å; L562-L641 HydrophobicContact CD2-CD1 4.06Å; L562-I645 HydrophobicContact CD1-CG2 3.44Å; L562-I645 VanDerWaalsContact CD1-CG2 3.44Å
563	A	97.7	Very high	94.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-36.6	177.9	0	0	0	0	0	112.4	L282 L369 L373 L559 C560 L561 F566 Y567	L282-A563 HydrophobicContact CB-CB 4.25Å; L369-A563 HydrophobicContact CD1-CB 4.26Å; L373-A563 HydrophobicContact CD1-CB 4.02Å; L373-A563 HydrophobicContact CD2-CB 4.17Å; L559-A563 WeakPolarHBondContact O-CB 3.47Å; L559-A563 PolarHBondContact O-N 2.83Å; C560-A563 PolarHBondContact O-N 3.25Å; L561-A563 PolarHBondContact O-N 3.39Å; A563-F566 CarbonylContact O-C 3.46Å; A563-F566 VanDerWaalsContact O-C 3.28Å; A563-F566 PolarHBondContact O-N 2.7Å; A563-Y567 WeakPolarHBondContact O-CA 3.42Å; A563-Y567 WeakPolarHBondContact O-CB 3.03Å; A563-Y567 WeakPolarHBondContact O-CD2 3.47Å; A563-Y567 PolarHBondContact O-N 2.92Å
564	E	96.2	Very high	94.4	Very high	24 Å²	24	25.9 Å²	25.9	11%	0.112	14%	0.136	C	C	.	.	H	α-helix	trans	-71.8	-28.8	177.3	-72.2	178.7	-106	0	0	113.6	C560 L561 L562 G573 P574 K575 A576	C560-E564 WeakPolarHBondContact O-CB 3.48Å; C560-E564 VanDerWaalsContact O-CG 3.24Å; C560-E564 WeakPolarHBondContact O-CG 3.43Å; C560-E564 PolarHBondContact O-N 3.31Å; L561-E564 PolarHBondContact O-N 2.96Å; L562-E564 VanDerWaalsContact C-N 3.33Å; L562-E564 PolarHBondContact O-N 3.01Å; E564-G573 VanDerWaalsContact O-CA 3.3Å; E564-G573 WeakPolarHBondContact O-CA 3.34Å; E564-G573 PolarHBondContact O-N 3.2Å; E564-P574 WeakPolarHBondContact OE2-CD 3.34Å; E564-K575 HydrophobicContact CB-CB 4.41Å; E564-K575 WeakPolarHBondContact OE1-CD 3.35Å; E564-K575 WeakPolarHBondContact OE1-CE 3.33Å; E564-K575 IonicContact OE1-NZ 3.95Å; E564-K575 PolarHBondContact OE1-NZ 3.12Å; E564-K575 WeakPolarHBondContact OE2-CB 3.37Å; E564-K575 VanDerWaalsContact OE2-CG 3.22Å; E564-K575 WeakPolarHBondContact OE2-CG 3.48Å; E564-K575 PolarHBondContact OE2-N 2.83Å; E564-A576 WeakPolarHBondContact O-CB 3.27Å
565	L	95.5	Very high	94.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-74.6	-35.5	172.9	-67.8	167.9	0	0	0	112.4	L561 L562 A576 V622 M625 I648 L704	L561-L565 HydrophobicContact CD1-CD1 4.15Å; L561-L565 HydrophobicContact CD1-CG 4.12Å; L561-L565 HydrophobicContact CG-CD1 4.03Å; L561-L565 HydrophobicContact CG-CG 4.45Å; L561-L565 VanDerWaalsContact O-CG 3.24Å; L561-L565 WeakPolarHBondContact O-CG 3.44Å; L561-L565 PolarHBondContact O-N 2.85Å; L562-L565 PolarHBondContact O-N 2.81Å; L565-A576 HydrophobicContact CD2-CB 4.41Å; L565-V622 HydrophobicContact CD1-CG1 3.97Å; L565-V622 HydrophobicContact CD1-CG2 4.03Å; L565-V622 HydrophobicContact CD2-CG2 4.42Å; L565-M625 HydrophobicContact CD1-CE 4.01Å; L565-M625 HydrophobicContact CD1-SD 4.11Å; L565-I648 HydrophobicContact CD2-CG1 4.38Å; L565-L704 HydrophobicContact CB-CD2 4.28Å; L565-L704 HydrophobicContact CD2-CD2 3.5Å; L565-L704 HydrophobicContact CG-CD2 4.5Å
566	F	96.6	Very high	94.3	Very high	19 Å²	19	26.3 Å²	26.3	8%	0.083	13%	0.133	C	C	.	.	S	Bend	trans	-117.8	60.3	-177.7	-64.3	-72.1	0	0	0	110.6	L280 L282 L562 A563 Y644 I645 I648	L280-F566 HydrophobicContact CB-CB 4.29Å; L280-F566 HydrophobicContact CB-CD1 4.05Å; L280-F566 HydrophobicContact CB-CG 4.34Å; L280-F566 CarbonylContact O-C 3.57Å; L282-F566 WeakPolarHBondContact CA-O 3.48Å; L282-F566 WeakPolarHBondContact CB-O 3.29Å; L282-F566 HydrophobicContact CD1-CB 4.07Å; L282-F566 HydrophobicContact CG-CB 4.19Å; L282-F566 PolarHBondContact N-O 2.76Å; L562-F566 HydrophobicContact CD1-CD2 3.91Å; L562-F566 HydrophobicContact CD1-CE2 4.12Å; L562-F566 PolarHBondContact O-N 3.4Å; A563-F566 CarbonylContact O-C 3.46Å; A563-F566 VanDerWaalsContact O-C 3.28Å; A563-F566 PolarHBondContact O-N 2.7Å; F566-Y644 WeakPolarHBondContact CZ-O 3.48Å; F566-I645 HydrophobicContact CE2-CG2 4.41Å; F566-I648 HydrophobicContact CE2-CG2 3.86Å; F566-I648 HydrophobicContact CZ-CB 3.98Å; F566-I648 HydrophobicContact CZ-CG2 3.68Å
567	Y	96.1	Very high	94	Very high	19 Å²	19	26.5 Å²	26.5	8%	0.075	14%	0.136	C	C	.	.			trans	-81.9	-88.7	-163.8	-161.5	-125	0	0	0	113.5	L282 G283 P284 L369 A563 E571	L282-Y567 PolarHBondContact N-O 2.85Å; G283-Y567 WeakPolarHBondContact CA-O 3.19Å; G283-Y567 PolarHBondContact N-O 2.97Å; P284-Y567 HydrophobicContact CG-CE2 4.41Å; L369-Y567 HydrophobicContact CD2-CE2 4.03Å; A563-Y567 WeakPolarHBondContact O-CA 3.42Å; A563-Y567 WeakPolarHBondContact O-CB 3.03Å; A563-Y567 WeakPolarHBondContact O-CD2 3.47Å; A563-Y567 PolarHBondContact O-N 2.92Å; Y567-E571 HydrophobicContact CD1-CG 4.02Å; Y567-E571 HydrophobicContact CE1-CG 4.14Å; Y567-E571 WeakPolarHBondContact CE1-OE1 3.32Å
568	L	95.4	Very high	93.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-140.4	164	-169.5	-72.1	178.6	0	0	0	112.6	F270 F281 K286 Y570 E571	F270-L568 HydrophobicContact CD1-CD2 4.11Å; F270-L568 HydrophobicContact CE1-CD1 3.93Å; F270-L568 HydrophobicContact CE1-CD2 3.51Å; F270-L568 HydrophobicContact CE1-CG 4.26Å; F270-L568 HydrophobicContact CZ-CD1 3.94Å; F270-L568 HydrophobicContact CZ-CD2 4.08Å; F270-L568 HydrophobicContact CZ-CG 4.42Å; F281-L568 VanDerWaalsContact CD1-C 3.47Å; F281-L568 VanDerWaalsContact CE1-C 3.45Å; K286-L568 HydrophobicContact CB-CD1 4.23Å; K286-L568 HydrophobicContact CD-CD1 4.17Å; L568-Y570 PolarHBondContact O-N 3.04Å; L568-Y570 VanDerWaalsContact O-N 3.13Å; L568-E571 HydrophobicContact CB-CG 3.83Å; L568-E571 HydrophobicContact CD1-CG 4.08Å; L568-E571 PolarHBondContact N-O 3.03Å; L568-E571 VanDerWaalsContact N-O 3.14Å
569	P	90.5	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.5	-175.4	20.3	-34.4	0	0	0	115.2	V244 F270 R279 F281	V244-P569 HydrophobicContact CG1-CB 4.01Å; V244-P569 HydrophobicContact CG1-CG 4.12Å; F270-P569 HydrophobicContact CD2-CG 3.86Å; F270-P569 HydrophobicContact CE2-CG 3.97Å; F270-P569 HydrophobicContact CG-CG 4.46Å; F270-P569 WeakPolarHBondContact O-CD 3.21Å; F270-P569 VanDerWaalsContact O-CG 3.27Å; F270-P569 WeakPolarHBondContact O-CG 3.26Å; R279-P569 PolarHBondContact NH2-O 3.37Å; F281-P569 HydrophobicContact CE1-CB 4.22Å; F281-P569 HydrophobicContact CZ-CB 4.23Å
570	Y	87.7	Confident	93.2	Very high	29 Å²	29	26.2 Å²	26.2	11%	0.114	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	4.9	-174.3	-62.2	-75.3	0	0	0	114.8	V244 K246 L568 F690 S697	V244-Y570 HydrophobicContact CG1-CE2 4.05Å; V244-Y570 VanDerWaalsContact O-CE2 3.23Å; V244-Y570 WeakPolarHBondContact O-CE2 3.21Å; V244-Y570 PolarHBondContact O-OH 3.16Å; K246-Y570 HydrophobicContact CB-CD2 3.46Å; K246-Y570 VanDerWaalsContact CB-CD2 3.46Å; K246-Y570 HydrophobicContact CB-CE2 3.66Å; K246-Y570 HydrophobicContact CB-CG 3.94Å; K246-Y570 HydrophobicContact CD-CD2 4.43Å; K246-Y570 HydrophobicContact CD-CG 4.1Å; K246-Y570 HydrophobicContact CG-CD2 3.69Å; K246-Y570 HydrophobicContact CG-CE2 4.4Å; K246-Y570 HydrophobicContact CG-CG 3.85Å; L568-Y570 PolarHBondContact O-N 3.04Å; L568-Y570 VanDerWaalsContact O-N 3.13Å; Y570-F690 VanDerWaalsContact C-CZ 3.48Å; Y570-S697 PolarHBondContact OH-N 2.71Å
571	E	87.6	Confident	92.7	Very high	48 Å²	48	31.4 Å²	31.4	22%	0.224	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-155.7	141.3	179.6	52.7	-176.8	-125.6	0	0	111.4	K286 Y567 L568	K286-E571 VanDerWaalsContact CD-OE1 3.29Å; K286-E571 WeakPolarHBondContact CD-OE1 3.27Å; K286-E571 IonicContact NZ-OE1 3.4Å; K286-E571 PolarHBondContact NZ-OE1 3.42Å; K286-E571 IonicContact NZ-OE2 2.76Å; K286-E571 PolarHBondContact NZ-OE2 3.47Å; Y567-E571 HydrophobicContact CD1-CG 4.02Å; Y567-E571 HydrophobicContact CE1-CG 4.14Å; Y567-E571 WeakPolarHBondContact CE1-OE1 3.32Å; L568-E571 HydrophobicContact CB-CG 3.83Å; L568-E571 HydrophobicContact CD1-CG 4.08Å; L568-E571 PolarHBondContact N-O 3.03Å; L568-E571 VanDerWaalsContact N-O 3.14Å
572	H	89.5	Confident	92.4	Very high	27 Å²	27	32.3 Å²	32.3	13%	0.125	16%	0.158	C	C	.	.			trans	-89.1	158.5	169.5	-59.1	-58.8	0	0	0	110	A576 F690 E707	H572-A576 HydrophobicContact CB-CB 4Å; H572-F690 AromaticContact CD2-CE2 3.89Å; H572-F690 AromaticContact NE2-CE2 3.76Å; H572-E707 IonicContact CD2-OE1 2.72Å; H572-E707 IonicContact CD2-OE2 3.97Å; H572-E707 IonicContact CE1-OE1 3.56Å; H572-E707 PolarHBondContact CE1-OE1 3.07Å; H572-E707 VanDerWaalsContact NE2-CD 3.28Å; H572-E707 IonicContact NE2-OE1 3.39Å; H572-E707 PolarHBondContact NE2-OE1 3.37Å; H572-E707 IonicContact NE2-OE2 2.71Å; H572-E707 PolarHBondContact NE2-OE2 2.86Å
573	G	91.3	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.			trans	-67.4	165.4	174.9	0	0	0	0	0	113.1	E564 K575 A576 T577	E564-G573 VanDerWaalsContact O-CA 3.3Å; E564-G573 WeakPolarHBondContact O-CA 3.34Å; E564-G573 PolarHBondContact O-N 3.2Å; G573-K575 PolarHBondContact O-N 2.87Å; G573-A576 PolarHBondContact O-N 3.42Å; G573-T577 WeakPolarHBondContact O-CB 3.28Å; G573-T577 PolarHBondContact O-N 2.94Å; G573-T577 PolarHBondContact O-OG1 2.95Å
574	P	92.1	Very high	91.1	Very high	91 Å²	91	34.7 Å²	34.7	59%	0.591	17%	0.17	S	C	*	.	H	α-helix	trans	-53.7	-49.5	-179.8	-29.4	36.5	0	0	0	114.4	E564 T577 Q578	E564-P574 WeakPolarHBondContact OE2-CD 3.34Å; P574-T577 PolarHBondContact O-N 2.86Å; P574-Q578 WeakPolarHBondContact O-CB 3.23Å; P574-Q578 PolarHBondContact O-N 3.12Å
575	K	92.9	Very high	90.7	Very high	71 Å²	71	36.3 Å²	36.3	31%	0.309	18%	0.175	S	C	.	.	H	α-helix	trans	-62.6	-44.6	177.5	-72	169.9	-164.2	142.3	0	112.6	L561 E564 G573 T577 Q578 M579	L561-K575 HydrophobicContact CD1-CB 4.33Å; L561-K575 HydrophobicContact CD1-CD 3.87Å; E564-K575 HydrophobicContact CB-CB 4.41Å; E564-K575 WeakPolarHBondContact OE1-CD 3.35Å; E564-K575 WeakPolarHBondContact OE1-CE 3.33Å; E564-K575 IonicContact OE1-NZ 3.95Å; E564-K575 PolarHBondContact OE1-NZ 3.12Å; E564-K575 WeakPolarHBondContact OE2-CB 3.37Å; E564-K575 VanDerWaalsContact OE2-CG 3.22Å; E564-K575 WeakPolarHBondContact OE2-CG 3.48Å; E564-K575 PolarHBondContact OE2-N 2.83Å; G573-K575 PolarHBondContact O-N 2.87Å; K575-T577 VanDerWaalsContact C-N 3.32Å; K575-T577 PolarHBondContact O-N 3.47Å; K575-Q578 WeakPolarHBondContact O-CB 3.38Å; K575-Q578 PolarHBondContact O-N 2.9Å; K575-Q578 VanDerWaalsContact O-N 3.15Å; K575-M579 VanDerWaalsContact O-CG 3.3Å; K575-M579 WeakPolarHBondContact O-CG 3.39Å; K575-M579 PolarHBondContact O-N 3.48Å
576	A	92	Very high	90.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-44.6	176.8	0	0	0	0	0	111.5	E564 L565 H572 G573 Q578 M579 L580 L704	E564-A576 WeakPolarHBondContact O-CB 3.27Å; L565-A576 HydrophobicContact CD2-CB 4.41Å; H572-A576 HydrophobicContact CB-CB 4Å; G573-A576 PolarHBondContact O-N 3.42Å; A576-Q578 VanDerWaalsContact C-N 3.33Å; A576-Q578 PolarHBondContact O-N 3.15Å; A576-M579 PolarHBondContact O-N 3.26Å; A576-L580 WeakPolarHBondContact O-CB 3.37Å; A576-L580 PolarHBondContact O-N 2.99Å; A576-L704 HydrophobicContact CB-CD1 4.13Å; A576-L704 HydrophobicContact CB-CD2 3.59Å
577	T	90.1	Very high	89.4	Confident	41 Å²	41	35.8 Å²	35.8	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-62.7	-38.4	174.4	-58.9	0	0	0	0	112	G573 P574 K575 K581	G573-T577 WeakPolarHBondContact O-CB 3.28Å; G573-T577 PolarHBondContact O-N 2.94Å; G573-T577 PolarHBondContact O-OG1 2.95Å; P574-T577 PolarHBondContact O-N 2.86Å; K575-T577 VanDerWaalsContact C-N 3.32Å; K575-T577 PolarHBondContact O-N 3.47Å; T577-K581 HydrophobicContact CG2-CD 4.15Å; T577-K581 WeakPolarHBondContact O-CB 3.36Å; T577-K581 VanDerWaalsContact O-CG 3.25Å; T577-K581 WeakPolarHBondContact O-CG 3.47Å; T577-K581 PolarHBondContact O-N 2.84Å
578	Q	93.4	Very high	88.5	Confident	100 Å²	100	38 Å²	38	47%	0.467	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-49.1	175	-177.5	-179.3	4.3	0	0	111.5	P574 K575 A576 L580 K581 E582 M618	P574-Q578 WeakPolarHBondContact O-CB 3.23Å; P574-Q578 PolarHBondContact O-N 3.12Å; K575-Q578 WeakPolarHBondContact O-CB 3.38Å; K575-Q578 PolarHBondContact O-N 2.9Å; K575-Q578 VanDerWaalsContact O-N 3.15Å; A576-Q578 VanDerWaalsContact C-N 3.33Å; A576-Q578 PolarHBondContact O-N 3.15Å; Q578-L580 VanDerWaalsContact C-N 3.3Å; Q578-L580 PolarHBondContact O-N 3.42Å; Q578-K581 PolarHBondContact O-N 3.47Å; Q578-K581 VanDerWaalsContact O-N 3.15Å; Q578-E582 HydrophobicContact CG-CG 4.45Å; Q578-E582 WeakPolarHBondContact O-CG 3.43Å; Q578-E582 PolarHBondContact O-N 2.96Å; Q578-M618 HydrophobicContact CG-CE 4.48Å; Q578-M618 HydrophobicContact CG-SD 4.14Å
579	M	92.9	Very high	87.8	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-43.1	176.7	-68.5	175.2	76.4	0	0	111.4	K575 A576 E582 F583 F615 M618 V622 M652 F708	K575-M579 VanDerWaalsContact O-CG 3.3Å; K575-M579 WeakPolarHBondContact O-CG 3.39Å; K575-M579 PolarHBondContact O-N 3.48Å; A576-M579 PolarHBondContact O-N 3.26Å; M579-E582 PolarHBondContact O-N 2.84Å; M579-F583 WeakPolarHBondContact O-CB 3.42Å; M579-F583 PolarHBondContact O-N 3.01Å; M579-F615 HydrophobicContact CB-CE2 4.23Å; M579-F615 WeakPolarHBondContact O-CE2 3.23Å; M579-M618 HydrophobicContact CE-CB 3.95Å; M579-M618 HydrophobicContact CG-CB 3.81Å; M579-M618 HydrophobicContact CG-CE 3.89Å; M579-M618 HydrophobicContact CG-CG 4.27Å; M579-M618 HydrophobicContact CG-SD 3.58Å; M579-M618 VanDerWaalsContact CG-SD 3.58Å; M579-M618 HydrophobicContact SD-CB 4.04Å; M579-V622 HydrophobicContact CE-CG2 3.97Å; M579-V622 HydrophobicContact SD-CG2 4.35Å; M579-M652 HydrophobicContact CE-CG 4.44Å; M579-M652 HydrophobicContact CE-SD 3.41Å; M579-M652 WeakPolarHBondContact CE-SD 3.47Å; M579-F708 HydrophobicContact CB-CZ 4Å
580	L	86.1	Confident	87.3	Confident	25 Å²	25	40.3 Å²	40.3	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-40	176.9	-168.4	74.1	0	0	0	112.3	A576 Q578 N584 E707 F708 L711	A576-L580 WeakPolarHBondContact O-CB 3.37Å; A576-L580 PolarHBondContact O-N 2.99Å; Q578-L580 VanDerWaalsContact C-N 3.3Å; Q578-L580 PolarHBondContact O-N 3.42Å; L580-N584 WeakPolarHBondContact O-CB 3.41Å; L580-N584 PolarHBondContact O-N 2.86Å; L580-N584 VanDerWaalsContact O-N 3.16Å; L580-N584 PolarHBondContact O-ND2 3.3Å; L580-E707 HydrophobicContact CD1-CB 4.25Å; L580-E707 VanDerWaalsContact CD2-OE2 3.24Å; L580-E707 WeakPolarHBondContact CD2-OE2 3.21Å; L580-F708 HydrophobicContact CB-CZ 4.37Å; L580-F708 HydrophobicContact CD1-CE1 4.34Å; L580-F708 HydrophobicContact CD1-CE2 4.36Å; L580-F708 HydrophobicContact CD1-CZ 4.21Å; L580-L711 HydrophobicContact CD1-CD1 3.53Å
581	K	87.6	Confident	86.8	Confident	139 Å²	139	41.1 Å²	41.1	60%	0.604	22%	0.217	S	C	*	.	H	α-helix	trans	-66.5	-47.3	175.4	-76.4	170.1	179.8	175.4	0	111.9	T577 Q578 N584 W585	T577-K581 HydrophobicContact CG2-CD 4.15Å; T577-K581 WeakPolarHBondContact O-CB 3.36Å; T577-K581 VanDerWaalsContact O-CG 3.25Å; T577-K581 WeakPolarHBondContact O-CG 3.47Å; T577-K581 PolarHBondContact O-N 2.84Å; Q578-K581 PolarHBondContact O-N 3.47Å; Q578-K581 VanDerWaalsContact O-N 3.15Å; K581-N584 PolarHBondContact O-N 3.43Å; K581-W585 PolarHBondContact O-N 3.27Å
582	E	91.4	Very high	86.3	Confident	34 Å²	34	40.2 Å²	40.2	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-46.3	178.1	-71.3	-50.4	113.1	0	0	111.7	Q578 M579 N584 W585 L586 R611 F615 M618	Q578-E582 HydrophobicContact CG-CG 4.45Å; Q578-E582 WeakPolarHBondContact O-CG 3.43Å; Q578-E582 PolarHBondContact O-N 2.96Å; M579-E582 PolarHBondContact O-N 2.84Å; E582-N584 VanDerWaalsContact C-N 3.35Å; E582-N584 PolarHBondContact O-N 3.21Å; E582-W585 PolarHBondContact O-N 3.23Å; E582-L586 WeakPolarHBondContact O-CB 3.42Å; E582-L586 VanDerWaalsContact O-CG 3.31Å; E582-L586 WeakPolarHBondContact O-CG 3.31Å; E582-L586 PolarHBondContact O-N 3.41Å; E582-R611 VanDerWaalsContact CD-NH2 3.26Å; E582-R611 IonicContact OE1-CZ 3.49Å; E582-R611 IonicContact OE1-NE 3.99Å; E582-R611 IonicContact OE1-NH2 3.91Å; E582-R611 PolarHBondContact OE1-NH2 2.75Å; E582-R611 IonicContact OE2-CZ 2.76Å; E582-R611 IonicContact OE2-NE 2.69Å; E582-R611 PolarHBondContact OE2-NE 3.4Å; E582-R611 IonicContact OE2-NH2 2.76Å; E582-R611 PolarHBondContact OE2-NH2 2.64Å; E582-F615 HydrophobicContact CB-CD2 3.88Å; E582-M618 HydrophobicContact CB-CE 4.15Å; E582-M618 HydrophobicContact CG-CE 3.9Å
583	F	87.6	Confident	85.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-42.2	178.1	-178.4	-131.1	0	0	0	112.4	M579 W585 L586 R587 F615 V655 F658 V659 F708 L711 L712	M579-F583 WeakPolarHBondContact O-CB 3.42Å; M579-F583 PolarHBondContact O-N 3.01Å; F583-W585 PolarHBondContact O-N 3.04Å; F583-L586 PolarHBondContact O-N 2.77Å; F583-R587 VanDerWaalsContact O-CB 3.27Å; F583-R587 WeakPolarHBondContact O-CB 3.41Å; F583-R587 PolarHBondContact O-N 3.11Å; F583-F615 HydrophobicContact CB-CD2 4.5Å; F583-F615 HydrophobicContact CB-CE2 3.77Å; F583-F615 HydrophobicContact CB-CZ 3.88Å; F583-F615 HydrophobicContact CD2-CE1 4.44Å; F583-F615 HydrophobicContact CD2-CZ 4.3Å; F583-F615 HydrophobicContact CG-CZ 4.27Å; F583-V655 HydrophobicContact CD1-CG1 4.1Å; F583-V655 HydrophobicContact CD2-CG1 3.75Å; F583-V655 HydrophobicContact CE1-CG1 4.03Å; F583-V655 HydrophobicContact CE2-CG1 3.72Å; F583-V655 HydrophobicContact CG-CG1 3.97Å; F583-V655 HydrophobicContact CZ-CG1 3.86Å; F583-F658 HydrophobicContact CE2-CD1 4.03Å; F583-F658 HydrophobicContact CZ-CD1 4.05Å; F583-F658 HydrophobicContact CZ-CE1 4.42Å; F583-V659 HydrophobicContact CD2-CG2 3.7Å; F583-V659 HydrophobicContact CE2-CG2 3.78Å; F583-F708 HydrophobicContact CB-CE1 3.94Å; F583-F708 AromaticContact CD1-CD1 3.67Å; F583-F708 HydrophobicContact CD1-CD1 3.67Å; F583-F708 AromaticContact CD1-CE1 3.79Å; F583-F708 HydrophobicContact CD1-CE1 3.79Å; F583-F708 HydrophobicContact CE1-CD1 4.18Å; F583-F708 HydrophobicContact CG-CD1 4.39Å; F583-F708 HydrophobicContact CG-CE1 4.13Å; F583-L711 HydrophobicContact CD1-CB 4.21Å; F583-L711 HydrophobicContact CD1-CD1 4.09Å; F583-L711 HydrophobicContact CE1-CB 3.7Å; F583-L711 HydrophobicContact CE1-CD1 4.42Å; F583-L712 HydrophobicContact CZ-CD2 4.14Å
584	N	81.8	Confident	84.9	Confident	50 Å²	50	39.8 Å²	39.8	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-41.8	175.2	-87.7	-70.6	0	0	0	112.5	L580 K581 E582 R587 A588 L711	L580-N584 WeakPolarHBondContact O-CB 3.41Å; L580-N584 PolarHBondContact O-N 2.86Å; L580-N584 VanDerWaalsContact O-N 3.16Å; L580-N584 PolarHBondContact O-ND2 3.3Å; K581-N584 PolarHBondContact O-N 3.43Å; E582-N584 VanDerWaalsContact C-N 3.35Å; E582-N584 PolarHBondContact O-N 3.21Å; N584-R587 PolarHBondContact OD1-NH2 2.81Å; N584-A588 WeakPolarHBondContact O-CB 3.29Å; N584-A588 PolarHBondContact O-N 2.85Å; N584-L711 WeakPolarHBondContact ND2-CD1 3.35Å
585	W	87.1	Confident	83.7	Confident	59 Å²	59	39 Å²	39	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-45.3	177.2	-175.5	96.6	0	0	0	111.9	K581 E582 F583 R587 A588 N589 E607 W608 R611	K581-W585 PolarHBondContact O-N 3.27Å; E582-W585 PolarHBondContact O-N 3.23Å; F583-W585 PolarHBondContact O-N 3.04Å; W585-R587 VanDerWaalsContact C-N 3.34Å; W585-R587 PolarHBondContact O-N 2.93Å; W585-A588 PolarHBondContact O-N 2.88Å; W585-N589 HydrophobicContact CE3-CB 4.49Å; W585-N589 HydrophobicContact CH2-CB 4.16Å; W585-N589 HydrophobicContact CZ2-CB 4.18Å; W585-N589 HydrophobicContact CZ3-CB 4.31Å; W585-N589 PolarHBondContact NE1-ND2 2.98Å; W585-N589 WeakPolarHBondContact O-CB 3.44Å; W585-N589 PolarHBondContact O-N 2.97Å; W585-N589 PolarHBondContact O-ND2 3.49Å; W585-E607 HydrophobicContact CH2-CG 4.22Å; W585-E607 WeakPolarHBondContact CZ2-OE1 3.4Å; W585-W608 HydrophobicContact CH2-CB 4.36Å; W585-W608 HydrophobicContact CZ3-CB 4.33Å; W585-W608 AromaticContact CZ3-CD1 3.77Å; W585-W608 HydrophobicContact CZ3-CG 4.26Å; W585-R611 VanDerWaalsContact CD2-CZ 3.45Å; W585-R611 VanDerWaalsContact CD2-NH1 3.28Å; W585-R611 HydrophobicContact CZ3-CB 4.18Å; W585-R611 HydrophobicContact CZ3-CG 4.48Å
586	L	84.8	Confident	82.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-45	178.1	-75	167.4	0	0	0	111.3	E582 F583 N589 S590 W608 R611 A612 F615 V659	E582-L586 WeakPolarHBondContact O-CB 3.42Å; E582-L586 VanDerWaalsContact O-CG 3.31Å; E582-L586 WeakPolarHBondContact O-CG 3.31Å; E582-L586 PolarHBondContact O-N 3.41Å; F583-L586 PolarHBondContact O-N 2.77Å; L586-N589 PolarHBondContact O-N 2.98Å; L586-S590 WeakPolarHBondContact O-CB 3.46Å; L586-S590 PolarHBondContact O-N 2.99Å; L586-W608 HydrophobicContact CB-CZ2 4.43Å; L586-W608 HydrophobicContact CD2-CD2 4Å; L586-W608 HydrophobicContact CD2-CG 4.23Å; L586-W608 HydrophobicContact CD2-CZ2 4.13Å; L586-W608 PolarHBondContact O-NE1 3.31Å; L586-R611 HydrophobicContact CD2-CB 4.04Å; L586-A612 HydrophobicContact CD2-CB 3.94Å; L586-F615 HydrophobicContact CD1-CB 3.61Å; L586-F615 HydrophobicContact CD1-CD1 4.15Å; L586-F615 HydrophobicContact CD1-CD2 4.5Å; L586-F615 HydrophobicContact CD1-CG 3.81Å; L586-V659 HydrophobicContact CD1-CG1 4.16Å
587	R	78.7	Confident	80.6	Confident	12 Å²	12	41.5 Å²	41.5	5%	0.045	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-50.6	174.5	-175.5	179.8	66.8	163.2	5.5	111.7	F583 N584 W585 N589 S590 Y672 W681 L711	F583-R587 VanDerWaalsContact O-CB 3.27Å; F583-R587 WeakPolarHBondContact O-CB 3.41Å; F583-R587 PolarHBondContact O-N 3.11Å; N584-R587 PolarHBondContact OD1-NH2 2.81Å; W585-R587 VanDerWaalsContact C-N 3.34Å; W585-R587 PolarHBondContact O-N 2.93Å; R587-N589 VanDerWaalsContact C-N 3.32Å; R587-N589 PolarHBondContact O-N 3.19Å; R587-S590 WeakPolarHBondContact O-CB 3.18Å; R587-S590 PolarHBondContact O-N 3.19Å; R587-S590 PolarHBondContact O-OG 3.23Å; R587-Y672 PolarHBondContact O-OH 2.74Å; R587-W681 VanDerWaalsContact CZ-NE1 3.28Å; R587-W681 VanDerWaalsContact NH1-CZ2 3.26Å; R587-W681 VanDerWaalsContact NH1-NE1 3.16Å; R587-L711 VanDerWaalsContact NH1-CD2 3.32Å; R587-L711 PolarHBondContact NH1-O 2.75Å
588	A	77.3	Confident	78.8	Confident	64 Å²	64	49.5 Å²	49.5	53%	0.529	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-34.4	-178.2	0	0	0	0	0	113.5	N584 W585	N584-A588 WeakPolarHBondContact O-CB 3.29Å; N584-A588 PolarHBondContact O-N 2.85Å; W585-A588 PolarHBondContact O-N 2.88Å
589	N	82.3	Confident	77	Confident	54 Å²	54	54 Å²	54	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-96	3.4	-178.1	-66	-86.6	0	0	0	113.7	W585 L586 R587 S591 V592	W585-N589 HydrophobicContact CE3-CB 4.49Å; W585-N589 HydrophobicContact CH2-CB 4.16Å; W585-N589 HydrophobicContact CZ2-CB 4.18Å; W585-N589 HydrophobicContact CZ3-CB 4.31Å; W585-N589 PolarHBondContact NE1-ND2 2.98Å; W585-N589 WeakPolarHBondContact O-CB 3.44Å; W585-N589 PolarHBondContact O-N 2.97Å; W585-N589 PolarHBondContact O-ND2 3.49Å; L586-N589 PolarHBondContact O-N 2.98Å; R587-N589 VanDerWaalsContact C-N 3.32Å; R587-N589 PolarHBondContact O-N 3.19Å; N589-S591 PolarHBondContact O-N 3.47Å; N589-V592 WeakPolarHBondContact O-CB 3.36Å; N589-V592 WeakPolarHBondContact O-CG2 3.33Å; N589-V592 PolarHBondContact O-N 3.48Å
590	S	80.3	Confident	75.3	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-59.6	-19.9	-178.5	64.6	0	0	0	0	114.5	L586 R587 V592 V593 S594 Y672	L586-S590 WeakPolarHBondContact O-CB 3.46Å; L586-S590 PolarHBondContact O-N 2.99Å; R587-S590 WeakPolarHBondContact O-CB 3.18Å; R587-S590 PolarHBondContact O-N 3.19Å; R587-S590 PolarHBondContact O-OG 3.23Å; S590-V592 PolarHBondContact O-N 2.64Å; S590-V593 WeakPolarHBondContact O-CG2 3.37Å; S590-V593 PolarHBondContact O-N 3.04Å; S590-S594 PolarHBondContact O-N 3.2Å; S590-Y672 PolarHBondContact OG-OH 3.26Å
591	S	75.7	Confident	74.5	Confident	46 Å²	46	65 Å²	65	32%	0.322	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27.8	171.9	60.2	0	0	0	0	113.3	N589 V593 S594	N589-S591 PolarHBondContact O-N 3.47Å; S591-V593 VanDerWaalsContact C-N 3.35Å; S591-V593 PolarHBondContact O-N 3.28Å; S591-S594 WeakPolarHBondContact O-CB 3.5Å; S591-S594 PolarHBondContact O-N 3.2Å; S591-S594 PolarHBondContact O-OG 2.79Å
592	V	78	Confident	73.9	Confident	29 Å²	29	62.9 Å²	62.9	18%	0.176	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-63.9	-38.1	177.4	176.4	0	0	0	0	111.9	N589 S590 C597 K604 V605	N589-V592 WeakPolarHBondContact O-CB 3.36Å; N589-V592 WeakPolarHBondContact O-CG2 3.33Å; N589-V592 PolarHBondContact O-N 3.48Å; S590-V592 PolarHBondContact O-N 2.64Å; V592-C597 PolarHBondContact O-SG 3.42Å; V592-K604 HydrophobicContact CG1-CB 3.89Å; V592-V605 HydrophobicContact CG1-CG2 3.84Å
593	V	77.8	Confident	73.5	Confident	12 Å²	12	69.3 Å²	69.3	7%	0.073	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-92.6	5.6	178.9	-65.8	0	0	0	0	113.6	S590 S591 V605 W608 L662 G664	S590-V593 WeakPolarHBondContact O-CG2 3.37Å; S590-V593 PolarHBondContact O-N 3.04Å; S591-V593 VanDerWaalsContact C-N 3.35Å; S591-V593 PolarHBondContact O-N 3.28Å; V593-V605 HydrophobicContact CG1-CG1 4.41Å; V593-W608 HydrophobicContact CB-CE3 4.49Å; V593-W608 HydrophobicContact CG1-CB 4.31Å; V593-W608 HydrophobicContact CG1-CD2 3.86Å; V593-W608 HydrophobicContact CG1-CE3 3.69Å; V593-W608 HydrophobicContact CG1-CG 4.13Å; V593-W608 HydrophobicContact CG1-CZ3 4.37Å; V593-W608 HydrophobicContact CG2-CD2 4Å; V593-W608 HydrophobicContact CG2-CE3 4.09Å; V593-W608 HydrophobicContact CG2-CH2 4.18Å; V593-W608 HydrophobicContact CG2-CZ2 4.06Å; V593-W608 HydrophobicContact CG2-CZ3 4.19Å; V593-L662 WeakPolarHBondContact CG2-O 3.47Å; V593-G664 VanDerWaalsContact O-CA 3.27Å; V593-G664 WeakPolarHBondContact O-CA 3.44Å; V593-G664 PolarHBondContact O-N 3.2Å
594	S	73.9	Confident	73.3	Confident	5 Å²	5	74.1 Å²	74.1	4%	0.035	37%	0.372	C	S	.	.	S	Bend	trans	-68.8	149.7	178.5	70.9	0	0	0	0	113.7	S590 S591 N596 C597 T669	S590-S594 PolarHBondContact O-N 3.2Å; S591-S594 WeakPolarHBondContact O-CB 3.5Å; S591-S594 PolarHBondContact O-N 3.2Å; S591-S594 PolarHBondContact O-OG 2.79Å; S594-N596 PolarHBondContact O-N 3.29Å; S594-N596 VanDerWaalsContact O-N 3.14Å; S594-C597 VanDerWaalsContact O-CB 3.28Å; S594-C597 WeakPolarHBondContact O-CB 3.45Å; S594-C597 PolarHBondContact O-N 2.87Å; S594-C597 VanDerWaalsContact O-N 3.12Å; S594-T669 VanDerWaalsContact OG-CG2 3.32Å; S594-T669 WeakPolarHBondContact OG-CG2 3.27Å
595	V	66.4	Low	73.4	Confident	74 Å²	74	73 Å²	73	45%	0.448	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.6	-179.4	-178.6	0	0	0	0	111.8	C597 G664 I666	V595-C597 PolarHBondContact O-N 2.77Å; V595-G664 WeakPolarHBondContact CG2-O 3.36Å; V595-I666 PolarHBondContact N-O 3.29Å
596	N	58.5	Low	73.4	Confident	90 Å²	90	72.8 Å²	72.8	48%	0.481	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	11.1	-175.5	-78.9	-36.9	0	0	0	114.5	S594 K598 H667	S594-N596 PolarHBondContact O-N 3.29Å; S594-N596 VanDerWaalsContact O-N 3.14Å; N596-K598 PolarHBondContact O-N 2.86Å; N596-H667 PolarHBondContact ND2-O 3.21Å
597	C	60.5	Low	73.8	Confident	35 Å²	35	76.8 Å²	76.8	24%	0.236	40%	0.396	C	S	.	.			trans	-69.2	94	-179.6	-169.1	0	0	0	0	112.3	V592 S594 V595 R599	V592-C597 PolarHBondContact O-SG 3.42Å; S594-C597 VanDerWaalsContact O-CB 3.28Å; S594-C597 WeakPolarHBondContact O-CB 3.45Å; S594-C597 PolarHBondContact O-N 2.87Å; S594-C597 VanDerWaalsContact O-N 3.12Å; V595-C597 PolarHBondContact O-N 2.77Å; C597-R599 PolarHBondContact O-N 3.5Å; C597-R599 VanDerWaalsContact O-N 3.11Å; C597-R599 PolarHBondContact SG-O 2.71Å; C597-R599 VanDerWaalsContact SG-O 3.35Å
598	K	52.3	Low	74.4	Confident	208 Å²	208	76.3 Å²	76.3	90%	0.904	39%	0.394	S	S	*	.	S	Bend	trans	-65.5	-10.3	-175.9	-65.1	-177.9	-178.5	176	0	115.2	N596	N596-K598 PolarHBondContact O-N 2.86Å
599	R	55.1	Low	74.9	Confident	196 Å²	196	77.1 Å²	77.1	74%	0.74	39%	0.387	S	S	*	.	S	Bend	trans	-134.8	95.5	171.3	-71	-175.4	-178	173.2	1.4	108.4	C597 E601	C597-R599 PolarHBondContact O-N 3.5Å; C597-R599 VanDerWaalsContact O-N 3.11Å; C597-R599 PolarHBondContact SG-O 2.71Å; C597-R599 VanDerWaalsContact SG-O 3.35Å; R599-E601 PolarHBondContact O-N 3.28Å
600	K	59	Low	75.5	Confident	169 Å²	169	78.6 Å²	78.6	74%	0.735	40%	0.395	S	S	*	.			trans	-70	83.2	168.2	-67.7	-166.3	175.3	-166.3	0	109.2	S602	K600-S602 PolarHBondContact O-N 2.9Å
601	E	68.3	Low	76.1	Confident	90 Å²	90	81.2 Å²	81.2	42%	0.421	40%	0.404	S	S	.	.			trans	-67.1	87.2	166.7	-71.5	176.5	-166.5	0	0	107.2	R599 E603 K604 V605	R599-E601 PolarHBondContact O-N 3.28Å; E601-E603 PolarHBondContact O-N 2.84Å; E601-K604 HydrophobicContact CB-CD 4.4Å; E601-K604 PolarHBondContact O-N 3.28Å; E601-K604 WeakPolarHBondContact OE2-CD 3.21Å; E601-K604 WeakPolarHBondContact OE2-CE 3.48Å; E601-K604 IonicContact OE2-NZ 3.47Å; E601-K604 PolarHBondContact OE2-NZ 3.49Å; E601-V605 PolarHBondContact O-N 2.79Å
602	S	75.7	Confident	76.8	Confident	93 Å²	93	79.2 Å²	79.2	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-55.7	-26.9	-165.6	-165.6	0	0	0	0	114	K600 A606	K600-S602 PolarHBondContact O-N 2.9Å; S602-A606 WeakPolarHBondContact O-CB 3.37Å; S602-A606 PolarHBondContact O-N 3.44Å
603	E	82.8	Confident	77.6	Confident	170 Å²	170	83.1 Å²	83.1	79%	0.794	41%	0.407	S	S	*	.	H	α-helix	trans	-67.3	-43.6	175.6	-171.8	169.5	-153	0	0	112.2	E601 A606 E607	E601-E603 PolarHBondContact O-N 2.84Å; E603-A606 PolarHBondContact O-N 3.36Å; E603-E607 PolarHBondContact O-N 3.4Å
604	K	83.5	Confident	78.4	Confident	101 Å²	101	88.3 Å²	88.3	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-73.5	-31.6	176.2	-66.8	179.6	-178	160.3	0	112.8	V592 E601 W608	V592-K604 HydrophobicContact CG1-CB 3.89Å; E601-K604 HydrophobicContact CB-CD 4.4Å; E601-K604 PolarHBondContact O-N 3.28Å; E601-K604 WeakPolarHBondContact OE2-CD 3.21Å; E601-K604 WeakPolarHBondContact OE2-CE 3.48Å; E601-K604 IonicContact OE2-NZ 3.47Å; E601-K604 PolarHBondContact OE2-NZ 3.49Å; K604-W608 WeakPolarHBondContact O-CB 3.37Å; K604-W608 PolarHBondContact O-N 3.44Å
605	V	84.3	Confident	79.4	Confident	27 Å²	27	88 Å²	88	16%	0.164	43%	0.427	C	S	.	.	H	α-helix	trans	-63	-47.2	171	176.7	0	0	0	0	109.5	V592 V593 E601 W608 Q609	V592-V605 HydrophobicContact CG1-CG2 3.84Å; V593-V605 HydrophobicContact CG1-CG1 4.41Å; E601-V605 PolarHBondContact O-N 2.79Å; V605-W608 PolarHBondContact O-N 3.5Å; V605-Q609 WeakPolarHBondContact O-CG 3.44Å; V605-Q609 PolarHBondContact O-N 3.31Å
606	A	86.9	Confident	80.6	Confident	53 Å²	53	86.7 Å²	86.7	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-39	176.5	0	0	0	0	0	112.9	S602 E603 Q609 L610	S602-A606 WeakPolarHBondContact O-CB 3.37Å; S602-A606 PolarHBondContact O-N 3.44Å; E603-A606 PolarHBondContact O-N 3.36Å; A606-Q609 PolarHBondContact O-N 2.95Å; A606-L610 VanDerWaalsContact O-CB 3.23Å; A606-L610 WeakPolarHBondContact O-CB 3.44Å; A606-L610 PolarHBondContact O-N 2.88Å
607	E	92.2	Very high	82.3	Confident	85 Å²	85	86.9 Å²	86.9	40%	0.397	42%	0.417	S	S	.	.	H	α-helix	trans	-59.3	-48.3	172.5	-169.1	-160.4	160	0	0	110.9	W585 E603 Q609 L610 R611	W585-E607 HydrophobicContact CH2-CG 4.22Å; W585-E607 WeakPolarHBondContact CZ2-OE1 3.4Å; E603-E607 PolarHBondContact O-N 3.4Å; E607-Q609 PolarHBondContact O-N 3.05Å; E607-L610 PolarHBondContact O-N 2.96Å; E607-R611 WeakPolarHBondContact O-CG 3.3Å; E607-R611 PolarHBondContact O-N 3.26Å; E607-R611 IonicContact OE1-NH1 3.56Å; E607-R611 PolarHBondContact OE1-NH1 3.46Å
608	W	90.8	Very high	83.9	Confident	1 Å²	1	86.8 Å²	86.8	0%	0.004	41%	0.413	C	S	.	.	H	α-helix	trans	-61.8	-46.4	-179.8	-168.8	99.1	0	0	0	111.5	W585 L586 V593 K604 V605 R611 A612 V659 L662 D663	W585-W608 HydrophobicContact CH2-CB 4.36Å; W585-W608 HydrophobicContact CZ3-CB 4.33Å; W585-W608 AromaticContact CZ3-CD1 3.77Å; W585-W608 HydrophobicContact CZ3-CG 4.26Å; L586-W608 HydrophobicContact CB-CZ2 4.43Å; L586-W608 HydrophobicContact CD2-CD2 4Å; L586-W608 HydrophobicContact CD2-CG 4.23Å; L586-W608 HydrophobicContact CD2-CZ2 4.13Å; L586-W608 PolarHBondContact O-NE1 3.31Å; V593-W608 HydrophobicContact CB-CE3 4.49Å; V593-W608 HydrophobicContact CG1-CB 4.31Å; V593-W608 HydrophobicContact CG1-CD2 3.86Å; V593-W608 HydrophobicContact CG1-CE3 3.69Å; V593-W608 HydrophobicContact CG1-CG 4.13Å; V593-W608 HydrophobicContact CG1-CZ3 4.37Å; V593-W608 HydrophobicContact CG2-CD2 4Å; V593-W608 HydrophobicContact CG2-CE3 4.09Å; V593-W608 HydrophobicContact CG2-CH2 4.18Å; V593-W608 HydrophobicContact CG2-CZ2 4.06Å; V593-W608 HydrophobicContact CG2-CZ3 4.19Å; K604-W608 WeakPolarHBondContact O-CB 3.37Å; K604-W608 PolarHBondContact O-N 3.44Å; V605-W608 PolarHBondContact O-N 3.5Å; W608-R611 PolarHBondContact O-N 2.98Å; W608-A612 HydrophobicContact CE3-CB 3.97Å; W608-A612 HydrophobicContact CH2-CB 4.11Å; W608-A612 HydrophobicContact CZ3-CB 3.65Å; W608-A612 WeakPolarHBondContact O-CB 3.47Å; W608-A612 PolarHBondContact O-N 2.86Å; W608-V659 HydrophobicContact CH2-CG1 4.46Å; W608-L662 HydrophobicContact CH2-CB 3.86Å; W608-L662 HydrophobicContact CZ2-CB 3.85Å; W608-L662 HydrophobicContact CZ2-CD1 4.37Å; W608-D663 HydrophobicContact CH2-CB 4.23Å; W608-D663 HydrophobicContact CZ3-CB 3.8Å
609	Q	89.7	Confident	85.8	Confident	82 Å²	82	76.9 Å²	76.9	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-65.6	-41.9	179.3	-71.7	-179.8	-43.1	0	0	112.3	V605 A606 E607 R611 A612 E613 D663	V605-Q609 WeakPolarHBondContact O-CG 3.44Å; V605-Q609 PolarHBondContact O-N 3.31Å; A606-Q609 PolarHBondContact O-N 2.95Å; E607-Q609 PolarHBondContact O-N 3.05Å; Q609-R611 VanDerWaalsContact C-N 3.3Å; Q609-R611 PolarHBondContact O-N 3.24Å; Q609-A612 PolarHBondContact O-N 2.76Å; Q609-E613 WeakPolarHBondContact O-CB 3.49Å; Q609-E613 PolarHBondContact O-N 3.32Å; Q609-D663 PolarHBondContact NE2-OD1 3.42Å; Q609-D663 PolarHBondContact NE2-OD2 3.41Å
610	L	92.9	Very high	87.5	Confident	85 Å²	85	68.8 Å²	68.8	45%	0.445	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-32.2	175.8	-179.8	63.2	0	0	0	112.8	A606 E607 K614	A606-L610 VanDerWaalsContact O-CB 3.23Å; A606-L610 WeakPolarHBondContact O-CB 3.44Å; A606-L610 PolarHBondContact O-N 2.88Å; E607-L610 PolarHBondContact O-N 2.96Å; L610-K614 WeakPolarHBondContact O-CG 3.47Å; L610-K614 PolarHBondContact O-N 3.33Å
611	R	94.5	Very high	89.2	Confident	54 Å²	54	63.3 Å²	63.3	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-78.8	-33.9	173.8	-68.4	-179.9	73	168.1	2.2	112	E582 W585 L586 E607 W608 Q609 F615	E582-R611 VanDerWaalsContact CD-NH2 3.26Å; E582-R611 IonicContact OE1-CZ 3.49Å; E582-R611 IonicContact OE1-NE 3.99Å; E582-R611 IonicContact OE1-NH2 3.91Å; E582-R611 PolarHBondContact OE1-NH2 2.75Å; E582-R611 IonicContact OE2-CZ 2.76Å; E582-R611 IonicContact OE2-NE 2.69Å; E582-R611 PolarHBondContact OE2-NE 3.4Å; E582-R611 IonicContact OE2-NH2 2.76Å; E582-R611 PolarHBondContact OE2-NH2 2.64Å; W585-R611 VanDerWaalsContact CD2-CZ 3.45Å; W585-R611 VanDerWaalsContact CD2-NH1 3.28Å; W585-R611 HydrophobicContact CZ3-CB 4.18Å; W585-R611 HydrophobicContact CZ3-CG 4.48Å; L586-R611 HydrophobicContact CD2-CB 4.04Å; E607-R611 WeakPolarHBondContact O-CG 3.3Å; E607-R611 PolarHBondContact O-N 3.26Å; E607-R611 IonicContact OE1-NH1 3.56Å; E607-R611 PolarHBondContact OE1-NH1 3.46Å; W608-R611 PolarHBondContact O-N 2.98Å; Q609-R611 VanDerWaalsContact C-N 3.3Å; Q609-R611 PolarHBondContact O-N 3.24Å; R611-F615 VanDerWaalsContact O-CB 3.3Å; R611-F615 WeakPolarHBondContact O-CB 3.28Å; R611-F615 PolarHBondContact O-N 2.83Å
612	A	90.7	Very high	90.5	Very high	4 Å²	4	59 Å²	59	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-38.7	173.3	0	0	0	0	0	111.8	L586 W608 Q609 F615 Q616 V659	L586-A612 HydrophobicContact CD2-CB 3.94Å; W608-A612 HydrophobicContact CE3-CB 3.97Å; W608-A612 HydrophobicContact CH2-CB 4.11Å; W608-A612 HydrophobicContact CZ3-CB 3.65Å; W608-A612 WeakPolarHBondContact O-CB 3.47Å; W608-A612 PolarHBondContact O-N 2.86Å; Q609-A612 PolarHBondContact O-N 2.76Å; A612-F615 PolarHBondContact O-N 3.26Å; A612-Q616 WeakPolarHBondContact O-CG 3.29Å; A612-Q616 PolarHBondContact O-N 3.44Å; A612-Q616 PolarHBondContact O-NE2 3.4Å; A612-V659 HydrophobicContact CB-CG1 3.98Å
613	E	93.4	Very high	91.1	Very high	112 Å²	112	55.3 Å²	55.3	52%	0.523	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-56.3	173.2	-176	174.8	-136.4	0	0	110.9	Q609 F615 Q616 D617	Q609-E613 WeakPolarHBondContact O-CB 3.49Å; Q609-E613 PolarHBondContact O-N 3.32Å; E613-F615 PolarHBondContact O-N 2.98Å; E613-Q616 WeakPolarHBondContact O-CA 3.27Å; E613-Q616 WeakPolarHBondContact O-CB 3.38Å; E613-Q616 PolarHBondContact O-N 3.12Å; E613-D617 PolarHBondContact O-N 3.34Å
614	K	94.7	Very high	91.5	Very high	120 Å²	120	51.6 Å²	51.6	52%	0.522	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-35.1	176.5	-70.2	172.4	-177.8	179.5	0	113.6	L610 D617 M618	L610-K614 WeakPolarHBondContact O-CG 3.47Å; L610-K614 PolarHBondContact O-N 3.33Å; K614-D617 PolarHBondContact O-N 2.97Å; K614-M618 WeakPolarHBondContact O-CG 3.07Å; K614-M618 PolarHBondContact O-N 2.76Å
615	F	94.3	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-39.4	175	179.7	-96.2	0	0	0	112.1	M579 E582 F583 L586 R611 A612 E613 D617 M618 C619 V655 V659	M579-F615 HydrophobicContact CB-CE2 4.23Å; M579-F615 WeakPolarHBondContact O-CE2 3.23Å; E582-F615 HydrophobicContact CB-CD2 3.88Å; F583-F615 HydrophobicContact CB-CD2 4.5Å; F583-F615 HydrophobicContact CB-CE2 3.77Å; F583-F615 HydrophobicContact CB-CZ 3.88Å; F583-F615 HydrophobicContact CD2-CE1 4.44Å; F583-F615 HydrophobicContact CD2-CZ 4.3Å; F583-F615 HydrophobicContact CG-CZ 4.27Å; L586-F615 HydrophobicContact CD1-CB 3.61Å; L586-F615 HydrophobicContact CD1-CD1 4.15Å; L586-F615 HydrophobicContact CD1-CD2 4.5Å; L586-F615 HydrophobicContact CD1-CG 3.81Å; R611-F615 VanDerWaalsContact O-CB 3.3Å; R611-F615 WeakPolarHBondContact O-CB 3.28Å; R611-F615 PolarHBondContact O-N 2.83Å; A612-F615 PolarHBondContact O-N 3.26Å; E613-F615 PolarHBondContact O-N 2.98Å; F615-D617 VanDerWaalsContact C-N 3.33Å; F615-D617 PolarHBondContact O-N 2.75Å; F615-M618 HydrophobicContact CB-CE 4.38Å; F615-M618 HydrophobicContact CD2-CE 3.87Å; F615-M618 PolarHBondContact O-N 2.94Å; F615-C619 VanDerWaalsContact CE1-SG 3.52Å; F615-C619 VanDerWaalsContact CZ-SG 3.59Å; F615-C619 PolarHBondContact O-N 2.99Å; F615-V655 HydrophobicContact CE1-CG1 3.84Å; F615-V655 HydrophobicContact CZ-CG1 3.65Å; F615-V659 HydrophobicContact CD1-CB 4.29Å; F615-V659 HydrophobicContact CD1-CG1 4.23Å; F615-V659 HydrophobicContact CD1-CG2 3.87Å; F615-V659 HydrophobicContact CE1-CB 4.44Å; F615-V659 HydrophobicContact CE1-CG2 3.75Å
616	Q	91.9	Very high	92.4	Very high	45 Å²	45	45.7 Å²	45.7	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-39.2	173	-71.6	166.2	71.6	0	0	111.8	A612 E613 M618 C619 C620 K656 L660	A612-Q616 WeakPolarHBondContact O-CG 3.29Å; A612-Q616 PolarHBondContact O-N 3.44Å; A612-Q616 PolarHBondContact O-NE2 3.4Å; E613-Q616 WeakPolarHBondContact O-CA 3.27Å; E613-Q616 WeakPolarHBondContact O-CB 3.38Å; E613-Q616 PolarHBondContact O-N 3.12Å; Q616-M618 VanDerWaalsContact C-N 3.34Å; Q616-M618 PolarHBondContact O-N 3.32Å; Q616-C619 PolarHBondContact O-N 2.68Å; Q616-C620 WeakPolarHBondContact O-CB 3.09Å; Q616-C620 PolarHBondContact O-N 3.22Å; Q616-C620 PolarHBondContact O-SG 3.5Å; Q616-K656 HydrophobicContact CB-CG 4.49Å; Q616-K656 HydrophobicContact CG-CG 4.08Å; Q616-L660 VanDerWaalsContact OE1-CD2 3.24Å
617	D	94.4	Very high	92.5	Very high	95 Å²	95	44.2 Å²	44.2	51%	0.508	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-40.6	174.8	-69.1	-30.2	0	0	0	112.4	E613 K614 F615 C620 S621	E613-D617 PolarHBondContact O-N 3.34Å; K614-D617 PolarHBondContact O-N 2.97Å; F615-D617 VanDerWaalsContact C-N 3.33Å; F615-D617 PolarHBondContact O-N 2.75Å; D617-C620 PolarHBondContact O-N 3.36Å; D617-S621 PolarHBondContact O-N 3.48Å; D617-S621 PolarHBondContact O-OG 2.95Å
618	M	94.9	Very high	92.4	Very high	32 Å²	32	42.1 Å²	42.1	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-43.6	173.1	-67.2	-171	-68	0	0	111.5	Q578 M579 E582 K614 F615 Q616 S621 V622	Q578-M618 HydrophobicContact CG-CE 4.48Å; Q578-M618 HydrophobicContact CG-SD 4.14Å; M579-M618 HydrophobicContact CE-CB 3.95Å; M579-M618 HydrophobicContact CG-CB 3.81Å; M579-M618 HydrophobicContact CG-CE 3.89Å; M579-M618 HydrophobicContact CG-CG 4.27Å; M579-M618 HydrophobicContact CG-SD 3.58Å; M579-M618 VanDerWaalsContact CG-SD 3.58Å; M579-M618 HydrophobicContact SD-CB 4.04Å; E582-M618 HydrophobicContact CB-CE 4.15Å; E582-M618 HydrophobicContact CG-CE 3.9Å; K614-M618 WeakPolarHBondContact O-CG 3.07Å; K614-M618 PolarHBondContact O-N 2.76Å; F615-M618 HydrophobicContact CB-CE 4.38Å; F615-M618 HydrophobicContact CD2-CE 3.87Å; F615-M618 PolarHBondContact O-N 2.94Å; Q616-M618 VanDerWaalsContact C-N 3.34Å; Q616-M618 PolarHBondContact O-N 3.32Å; M618-S621 WeakPolarHBondContact O-CB 3.31Å; M618-S621 PolarHBondContact O-N 3.42Å; M618-V622 PolarHBondContact O-N 2.83Å
619	C	91.9	Very high	92.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-39.9	174.3	-68.8	0	0	0	0	112.9	F615 Q616 S621 V622 I623 K656	F615-C619 VanDerWaalsContact CE1-SG 3.52Å; F615-C619 VanDerWaalsContact CZ-SG 3.59Å; F615-C619 PolarHBondContact O-N 2.99Å; Q616-C619 PolarHBondContact O-N 2.68Å; C619-S621 VanDerWaalsContact C-N 3.28Å; C619-S621 PolarHBondContact O-N 3.4Å; C619-V622 PolarHBondContact O-N 2.87Å; C619-I623 WeakPolarHBondContact O-CG1 3.19Å; C619-I623 PolarHBondContact O-N 3.15Å; C619-K656 HydrophobicContact CB-CB 3.88Å; C619-K656 HydrophobicContact CB-CD 4.23Å; C619-K656 HydrophobicContact CB-CG 4.19Å
620	C	91.2	Very high	92.4	Very high	27 Å²	27	38.4 Å²	38.4	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-39.8	172.8	-69.9	0	0	0	0	111.2	Q616 D617 V622 I623 H624 K656	Q616-C620 WeakPolarHBondContact O-CB 3.09Å; Q616-C620 PolarHBondContact O-N 3.22Å; Q616-C620 PolarHBondContact O-SG 3.5Å; D617-C620 PolarHBondContact O-N 3.36Å; C620-V622 VanDerWaalsContact C-N 3.33Å; C620-V622 PolarHBondContact O-N 3.05Å; C620-I623 PolarHBondContact O-N 3.12Å; C620-I623 VanDerWaalsContact O-N 3.1Å; C620-H624 PolarHBondContact O-N 3.19Å; C620-H624 PolarHBondContact O-ND1 3.26Å; C620-K656 PolarHBondContact SG-NZ 3.19Å
621	S	95.1	Very high	92.1	Very high	54 Å²	54	36.2 Å²	36.2	38%	0.378	18%	0.179	S	C	.	.	H	α-helix	trans	-60	-41.1	177.2	-56.8	0	0	0	0	112.1	D617 M618 C619 I623 H624 M625	D617-S621 PolarHBondContact O-N 3.48Å; D617-S621 PolarHBondContact O-OG 2.95Å; M618-S621 WeakPolarHBondContact O-CB 3.31Å; M618-S621 PolarHBondContact O-N 3.42Å; C619-S621 VanDerWaalsContact C-N 3.28Å; C619-S621 PolarHBondContact O-N 3.4Å; S621-I623 VanDerWaalsContact C-N 3.34Å; S621-I623 PolarHBondContact O-N 3.49Å; S621-H624 PolarHBondContact O-N 2.93Å; S621-M625 VanDerWaalsContact O-CB 3.28Å; S621-M625 WeakPolarHBondContact O-CB 3.44Å; S621-M625 PolarHBondContact O-N 3.19Å
622	V	94.3	Very high	91.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-37.3	174.5	-175	0	0	0	0	111.9	L561 L565 M579 M618 C619 C620 M625 F626 I648 M652	L561-V622 HydrophobicContact CD1-CG2 4.45Å; L561-V622 HydrophobicContact CD2-CG2 4.15Å; L565-V622 HydrophobicContact CD1-CG1 3.97Å; L565-V622 HydrophobicContact CD1-CG2 4.03Å; L565-V622 HydrophobicContact CD2-CG2 4.42Å; M579-V622 HydrophobicContact CE-CG2 3.97Å; M579-V622 HydrophobicContact SD-CG2 4.35Å; M618-V622 PolarHBondContact O-N 2.83Å; C619-V622 PolarHBondContact O-N 2.87Å; C620-V622 VanDerWaalsContact C-N 3.33Å; C620-V622 PolarHBondContact O-N 3.05Å; V622-M625 HydrophobicContact CG1-CE 4.15Å; V622-F626 WeakPolarHBondContact O-CB 3.49Å; V622-F626 PolarHBondContact O-N 2.98Å; V622-I648 HydrophobicContact CG1-CG2 4.39Å; V622-M652 HydrophobicContact CB-CB 4.5Å; V622-M652 HydrophobicContact CB-CG 4.24Å; V622-M652 HydrophobicContact CG1-CB 4.47Å; V622-M652 HydrophobicContact CG1-CG 4.08Å; V622-M652 HydrophobicContact CG2-CG 4.22Å
623	I	89.3	Confident	91.6	Very high	14 Å²	14	36 Å²	36	7%	0.072	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-44.3	177.4	-64.6	165.1	0	0	0	110.7	C619 C620 S621 F626 T627 K649 I733	C619-I623 WeakPolarHBondContact O-CG1 3.19Å; C619-I623 PolarHBondContact O-N 3.15Å; C620-I623 PolarHBondContact O-N 3.12Å; C620-I623 VanDerWaalsContact O-N 3.1Å; S621-I623 VanDerWaalsContact C-N 3.34Å; S621-I623 PolarHBondContact O-N 3.49Å; I623-F626 WeakPolarHBondContact O-CB 3.24Å; I623-F626 PolarHBondContact O-N 3.48Å; I623-T627 PolarHBondContact O-N 3.14Å; I623-T627 PolarHBondContact O-OG1 3.38Å; I623-T627 VanDerWaalsContact O-OG1 3.09Å; I623-K649 HydrophobicContact CG1-CG 4.43Å; I623-I733 HydrophobicContact CG2-CG2 4.5Å
624	H	91.1	Very high	91.4	Very high	93 Å²	93	30.7 Å²	30.7	43%	0.431	16%	0.164	S	C	.	.	H	α-helix	trans	-64.4	-41.7	177	-59.5	159.4	0	0	0	112.1	C620 S621 T627 R628	C620-H624 PolarHBondContact O-N 3.19Å; C620-H624 PolarHBondContact O-ND1 3.26Å; S621-H624 PolarHBondContact O-N 2.93Å; H624-T627 PolarHBondContact O-N 3.18Å; H624-R628 PolarHBondContact O-N 3.19Å
625	M	94.5	Very high	91.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.9	-49.6	171.8	179.5	-154.6	76.6	0	0	111.2	D558 L561 L562 L565 S621 V622 T627 R628 L629	D558-M625 HydrophobicContact CB-CB 4.38Å; D558-M625 HydrophobicContact CB-CG 3.88Å; D558-M625 VanDerWaalsContact OD1-CA 3.31Å; D558-M625 WeakPolarHBondContact OD1-CA 3.41Å; L561-M625 HydrophobicContact CB-SD 4.14Å; L561-M625 HydrophobicContact CD2-CB 4.21Å; L561-M625 HydrophobicContact CD2-SD 4.06Å; L561-M625 HydrophobicContact CG-SD 3.86Å; L562-M625 HydrophobicContact CB-SD 3.81Å; L562-M625 HydrophobicContact CD1-CE 4.14Å; L562-M625 HydrophobicContact CD1-SD 4.3Å; L565-M625 HydrophobicContact CD1-CE 4.01Å; L565-M625 HydrophobicContact CD1-SD 4.11Å; S621-M625 VanDerWaalsContact O-CB 3.28Å; S621-M625 WeakPolarHBondContact O-CB 3.44Å; S621-M625 PolarHBondContact O-N 3.19Å; V622-M625 HydrophobicContact CG1-CE 4.15Å; M625-T627 VanDerWaalsContact C-N 3.34Å; M625-T627 PolarHBondContact O-N 3.16Å; M625-R628 PolarHBondContact O-N 2.98Å; M625-L629 HydrophobicContact CE-CD1 4.29Å; M625-L629 HydrophobicContact CG-CD1 3.86Å; M625-L629 WeakPolarHBondContact O-CB 3.49Å; M625-L629 VanDerWaalsContact O-CG 3.24Å; M625-L629 WeakPolarHBondContact O-CG 3.23Å; M625-L629 PolarHBondContact O-N 3.35Å; M625-L629 HydrophobicContact SD-CD1 4.46Å
626	F	92.3	Very high	91	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.018	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-43.5	175.2	168.1	-90.8	0	0	0	112.4	V622 I623 S630 Y642 I645 W646 K649	V622-F626 WeakPolarHBondContact O-CB 3.49Å; V622-F626 PolarHBondContact O-N 2.98Å; I623-F626 WeakPolarHBondContact O-CB 3.24Å; I623-F626 PolarHBondContact O-N 3.48Å; F626-S630 VanDerWaalsContact CE2-OG 3.3Å; F626-S630 WeakPolarHBondContact CE2-OG 3.43Å; F626-S630 WeakPolarHBondContact CZ-OG 3.34Å; F626-S630 VanDerWaalsContact O-CB 3.27Å; F626-S630 WeakPolarHBondContact O-CB 3.23Å; F626-S630 PolarHBondContact O-N 3.22Å; F626-S630 PolarHBondContact O-OG 3.45Å; F626-Y642 HydrophobicContact CE2-CD2 4.47Å; F626-Y642 AromaticContact CE2-CE2 3.84Å; F626-Y642 HydrophobicContact CE2-CE2 3.84Å; F626-Y642 HydrophobicContact CZ-CE2 4.02Å; F626-I645 HydrophobicContact CD2-CB 4.28Å; F626-I645 HydrophobicContact CD2-CD1 4.04Å; F626-I645 HydrophobicContact CD2-CG1 3.95Å; F626-I645 HydrophobicContact CE2-CD1 4.35Å; F626-I645 HydrophobicContact CE2-CG1 4.24Å; F626-W646 HydrophobicContact CE1-CE3 4.47Å; F626-W646 HydrophobicContact CE1-CZ3 4.37Å; F626-W646 AromaticContact CE2-CE3 3.66Å; F626-W646 HydrophobicContact CE2-CE3 3.66Å; F626-W646 HydrophobicContact CE2-CZ3 4.32Å; F626-W646 AromaticContact CZ-CE3 3.46Å; F626-W646 HydrophobicContact CZ-CE3 3.46Å; F626-W646 VanDerWaalsContact CZ-CE3 3.46Å; F626-W646 AromaticContact CZ-CZ3 3.63Å; F626-W646 HydrophobicContact CZ-CZ3 3.63Å; F626-K649 HydrophobicContact CB-CB 3.94Å; F626-K649 HydrophobicContact CB-CG 3.93Å; F626-K649 HydrophobicContact CD1-CD 3.99Å; F626-K649 HydrophobicContact CD1-CG 3.86Å; F626-K649 HydrophobicContact CD2-CB 4.09Å; F626-K649 HydrophobicContact CD2-CD 4.39Å; F626-K649 HydrophobicContact CD2-CG 4.24Å; F626-K649 HydrophobicContact CE1-CD 4.19Å; F626-K649 HydrophobicContact CG-CB 3.91Å; F626-K649 HydrophobicContact CG-CD 4.12Å; F626-K649 HydrophobicContact CG-CG 3.7Å; F626-K649 HydrophobicContact CZ-CD 4.5Å
627	T	88.8	Confident	91.1	Very high	22 Å²	22	28.8 Å²	28.8	14%	0.135	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-46.4	179.4	-60.6	0	0	0	0	111.8	I623 H624 M625 S630 N631 I733	I623-T627 PolarHBondContact O-N 3.14Å; I623-T627 PolarHBondContact O-OG1 3.38Å; I623-T627 VanDerWaalsContact O-OG1 3.09Å; H624-T627 PolarHBondContact O-N 3.18Å; M625-T627 VanDerWaalsContact C-N 3.34Å; M625-T627 PolarHBondContact O-N 3.16Å; T627-S630 PolarHBondContact O-N 3.23Å; T627-N631 PolarHBondContact O-N 3.12Å; T627-N631 PolarHBondContact O-ND2 3.31Å; T627-I733 HydrophobicContact CG2-CD1 4.01Å; T627-I733 WeakPolarHBondContact OG1-CD1 3.45Å
628	R	90.6	Very high	91	Very high	41 Å²	41	24.4 Å²	24.4	16%	0.155	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-43.5	179.1	-71.4	-170.9	-77.2	-96.1	-3.1	112.2	E552 P553 D558 H624 M625 S630 N631 T632	E552-R628 HydrophobicContact CB-CG 3.83Å; E552-R628 WeakPolarHBondContact O-CG 3.41Å; E552-R628 WeakPolarHBondContact OE2-CD 3.44Å; E552-R628 IonicContact OE2-CZ 2.79Å; E552-R628 IonicContact OE2-NE 2.78Å; E552-R628 IonicContact OE2-NH1 3.14Å; E552-R628 PolarHBondContact OE2-NH1 3.1Å; P553-R628 WeakPolarHBondContact O-CD 3.33Å; D558-R628 IonicContact OD1-CZ 3.36Å; D558-R628 IonicContact OD1-NE 3.7Å; D558-R628 PolarHBondContact OD1-NE 3.21Å; D558-R628 IonicContact OD1-NH2 3.25Å; D558-R628 PolarHBondContact OD1-NH2 2.96Å; D558-R628 IonicContact OD2-CZ 2.73Å; D558-R628 IonicContact OD2-NE 3.65Å; D558-R628 PolarHBondContact OD2-NE 3.33Å; D558-R628 IonicContact OD2-NH2 3.22Å; D558-R628 PolarHBondContact OD2-NH2 3.24Å; H624-R628 PolarHBondContact O-N 3.19Å; M625-R628 PolarHBondContact O-N 2.98Å; R628-S630 PolarHBondContact O-N 2.93Å; R628-N631 PolarHBondContact O-N 2.9Å; R628-T632 PolarHBondContact O-N 3.36Å
629	L	91.4	Very high	90.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.1	-69	171.7	0	0	0	111.9	F380 P554 L559 L562 M625 N631 T632 I645	F380-L629 HydrophobicContact CD1-CD2 4.06Å; F380-L629 HydrophobicContact CE1-CD2 3.55Å; F380-L629 HydrophobicContact CZ-CD2 4.24Å; P554-L629 HydrophobicContact CB-CD2 4.28Å; P554-L629 HydrophobicContact CG-CD2 4.21Å; L559-L629 HydrophobicContact CD2-CD2 4.12Å; L562-L629 HydrophobicContact CD1-CD1 4.17Å; L562-L629 HydrophobicContact CD2-CD1 4.18Å; M625-L629 HydrophobicContact CE-CD1 4.29Å; M625-L629 HydrophobicContact CG-CD1 3.86Å; M625-L629 WeakPolarHBondContact O-CB 3.49Å; M625-L629 VanDerWaalsContact O-CG 3.24Å; M625-L629 WeakPolarHBondContact O-CG 3.23Å; M625-L629 PolarHBondContact O-N 3.35Å; M625-L629 HydrophobicContact SD-CD1 4.46Å; L629-N631 PolarHBondContact O-N 2.84Å; L629-T632 VanDerWaalsContact O-CB 3.23Å; L629-T632 WeakPolarHBondContact O-CB 3.3Å; L629-T632 WeakPolarHBondContact O-CG2 3.46Å; L629-T632 PolarHBondContact O-N 2.7Å; L629-I645 HydrophobicContact CB-CD1 3.97Å; L629-I645 HydrophobicContact CD1-CD1 4.27Å; L629-I645 HydrophobicContact CD1-CG2 4.31Å
630	S	89.2	Confident	90.9	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-24.4	-179.5	-62.1	0	0	0	0	114.1	F626 T627 R628 R635 L638	F626-S630 VanDerWaalsContact CE2-OG 3.3Å; F626-S630 WeakPolarHBondContact CE2-OG 3.43Å; F626-S630 WeakPolarHBondContact CZ-OG 3.34Å; F626-S630 VanDerWaalsContact O-CB 3.27Å; F626-S630 WeakPolarHBondContact O-CB 3.23Å; F626-S630 PolarHBondContact O-N 3.22Å; F626-S630 PolarHBondContact O-OG 3.45Å; T627-S630 PolarHBondContact O-N 3.23Å; R628-S630 PolarHBondContact O-N 2.93Å; S630-R635 PolarHBondContact O-NH1 2.74Å; S630-L638 WeakPolarHBondContact O-CD2 3.42Å
631	N	85.8	Confident	91	Very high	40 Å²	40	26.9 Å²	26.9	21%	0.214	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.7	175.3	-65.6	-64.2	0	0	0	113.6	P551 T627 R628 L629 S731	P551-N631 HydrophobicContact CB-CB 3.49Å; P551-N631 VanDerWaalsContact CB-CB 3.49Å; P551-N631 HydrophobicContact CG-CB 4.34Å; T627-N631 PolarHBondContact O-N 3.12Å; T627-N631 PolarHBondContact O-ND2 3.31Å; R628-N631 PolarHBondContact O-N 2.9Å; L629-N631 PolarHBondContact O-N 2.84Å; N631-S731 WeakPolarHBondContact OD1-CB 3.15Å
632	T	87.6	Confident	90.8	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.037	12%	0.123	C	C	.	.			trans	-61.3	149	179.3	-163.5	0	0	0	0	112.8	F380 R628 L629 N634 R635 L638	F380-T632 HydrophobicContact CD1-CG2 4.42Å; F380-T632 PolarHBondContact O-OG1 3.44Å; R628-T632 PolarHBondContact O-N 3.36Å; L629-T632 VanDerWaalsContact O-CB 3.23Å; L629-T632 WeakPolarHBondContact O-CB 3.3Å; L629-T632 WeakPolarHBondContact O-CG2 3.46Å; L629-T632 PolarHBondContact O-N 2.7Å; T632-N634 WeakPolarHBondContact CG2-O 3.46Å; T632-R635 VanDerWaalsContact O-CD 3.27Å; T632-R635 WeakPolarHBondContact O-CD 3.27Å; T632-R635 PolarHBondContact O-NH1 2.97Å; T632-L638 HydrophobicContact CG2-CB 3.87Å; T632-L638 HydrophobicContact CG2-CD2 4.48Å
633	A	87.4	Confident	90.6	Very high	48 Å²	48	27.2 Å²	27.2	40%	0.397	14%	0.14	S	C	.	.	S	Bend	trans	-70.6	-38.2	177.4	0	0	0	0	0	112	P383 R635	P383-A633 HydrophobicContact CG-CB 4.24Å; A633-R635 PolarHBondContact O-N 2.96Å
634	N	89.2	Confident	90.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.			trans	-76.4	86.6	176.3	-166.1	-29.6	0	0	0	112.1	E379 F380 V382 T632 T636 I637 L638	E379-N634 WeakPolarHBondContact O-CB 3.32Å; E379-N634 PolarHBondContact O-ND2 3.47Å; F380-N634 PolarHBondContact O-N 3.41Å; V382-N634 VanDerWaalsContact O-CB 3.3Å; V382-N634 WeakPolarHBondContact O-CB 3.19Å; T632-N634 WeakPolarHBondContact CG2-O 3.46Å; N634-T636 PolarHBondContact O-N 3.32Å; N634-T636 WeakPolarHBondContact OD1-CB 3.5Å; N634-T636 PolarHBondContact OD1-N 3.45Å; N634-I637 HydrophobicContact CB-CD1 4.13Å; N634-I637 HydrophobicContact CB-CG1 4.35Å; N634-I637 WeakPolarHBondContact ND2-CD1 3.27Å; N634-I637 WeakPolarHBondContact ND2-CG1 3.42Å; N634-I637 PolarHBondContact O-N 3.34Å; N634-I637 PolarHBondContact OD1-N 2.9Å; N634-L638 PolarHBondContact O-N 3.29Å
635	R	89.2	Confident	90.8	Very high	98 Å²	98	22.9 Å²	22.9	37%	0.37	12%	0.119	S	C	.	.	H	α-helix	trans	-65.5	-23.8	-178.4	-46.9	-54.8	-80.9	170.2	-2	112.8	S630 T632 A633 L638 F639	S630-R635 PolarHBondContact O-NH1 2.74Å; T632-R635 VanDerWaalsContact O-CD 3.27Å; T632-R635 WeakPolarHBondContact O-CD 3.27Å; T632-R635 PolarHBondContact O-NH1 2.97Å; A633-R635 PolarHBondContact O-N 2.96Å; R635-L638 PolarHBondContact O-N 3.48Å; R635-F639 HydrophobicContact CB-CD2 4.3Å; R635-F639 HydrophobicContact CB-CE2 3.86Å; R635-F639 HydrophobicContact CB-CZ 4.47Å; R635-F639 WeakPolarHBondContact O-CD2 3.2Å; R635-F639 VanDerWaalsContact O-CG 3.32Å; R635-F639 WeakPolarHBondContact O-CG 3.28Å; R635-F639 PolarHBondContact O-N 3.5Å
636	T	90.9	Very high	90.4	Very high	26 Å²	26	23.6 Å²	23.6	16%	0.16	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-53.6	176.6	-47.6	0	0	0	0	111.2	E308 Y386 N634 L638 F639 D640	E308-T636 HydrophobicContact CG-CG2 4Å; Y386-T636 HydrophobicContact CD2-CG2 4.12Å; N634-T636 PolarHBondContact O-N 3.32Å; N634-T636 WeakPolarHBondContact OD1-CB 3.5Å; N634-T636 PolarHBondContact OD1-N 3.45Å; T636-L638 PolarHBondContact O-N 3.45Å; T636-F639 PolarHBondContact O-N 2.85Å; T636-D640 PolarHBondContact O-N 3.33Å
637	I	93.8	Very high	90.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-40	175.5	-58	173.7	0	0	0	110.2	E308 W376 E379 F380 N634 L641	E308-I637 HydrophobicContact CB-CB 4.31Å; E308-I637 HydrophobicContact CB-CG1 3.94Å; E308-I637 HydrophobicContact CB-CG2 4.42Å; E308-I637 HydrophobicContact CG-CG1 3.93Å; W376-I637 HydrophobicContact CZ2-CG2 4.09Å; E379-I637 HydrophobicContact CB-CD1 3.95Å; F380-I637 HydrophobicContact CD1-CG2 4.27Å; F380-I637 HydrophobicContact CD2-CD1 4.39Å; F380-I637 HydrophobicContact CE1-CB 4.36Å; F380-I637 HydrophobicContact CE1-CG2 3.5Å; F380-I637 HydrophobicContact CE2-CD1 4.44Å; F380-I637 HydrophobicContact CE2-CG2 4.37Å; F380-I637 HydrophobicContact CG-CD1 4.46Å; F380-I637 HydrophobicContact CZ-CG2 3.57Å; N634-I637 HydrophobicContact CB-CD1 4.13Å; N634-I637 HydrophobicContact CB-CG1 4.35Å; N634-I637 WeakPolarHBondContact ND2-CD1 3.27Å; N634-I637 WeakPolarHBondContact ND2-CG1 3.42Å; N634-I637 PolarHBondContact O-N 3.34Å; N634-I637 PolarHBondContact OD1-N 2.9Å; I637-L641 HydrophobicContact CG2-CD1 3.68Å; I637-L641 HydrophobicContact CG2-CG 4.27Å; I637-L641 WeakPolarHBondContact O-CB 3.46Å; I637-L641 VanDerWaalsContact O-CG 3.3Å; I637-L641 WeakPolarHBondContact O-CG 3.44Å; I637-L641 PolarHBondContact O-N 3.48Å; I637-L641 VanDerWaalsContact O-N 3.13Å
638	L	92.8	Very high	90.1	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-48.9	176.6	179.1	58.4	0	0	0	112.4	S630 T632 N634 R635 T636 D640 L641 Y642 I645 P729	S630-L638 WeakPolarHBondContact O-CD2 3.42Å; T632-L638 HydrophobicContact CG2-CB 3.87Å; T632-L638 HydrophobicContact CG2-CD2 4.48Å; N634-L638 PolarHBondContact O-N 3.29Å; R635-L638 PolarHBondContact O-N 3.48Å; T636-L638 PolarHBondContact O-N 3.45Å; L638-D640 VanDerWaalsContact C-N 3.33Å; L638-D640 PolarHBondContact O-N 2.86Å; L638-L641 PolarHBondContact O-N 3.23Å; L638-Y642 HydrophobicContact CD1-CD2 3.9Å; L638-Y642 HydrophobicContact CG-CD2 4.48Å; L638-Y642 WeakPolarHBondContact O-CA 3.49Å; L638-Y642 VanDerWaalsContact O-CB 3.24Å; L638-Y642 WeakPolarHBondContact O-CB 3.41Å; L638-Y642 PolarHBondContact O-N 3.48Å; L638-I645 HydrophobicContact CD1-CD1 4.03Å; L638-P729 HydrophobicContact CD2-CB 4.02Å; L638-P729 HydrophobicContact CD2-CG 4.01Å; L638-P729 HydrophobicContact CG-CG 4.31Å
639	F	91.6	Very high	89.9	Confident	77 Å²	77	22.6 Å²	22.6	34%	0.338	12%	0.118	S	C	.	.	H	α-helix	trans	-63.4	-37.6	-176	-70.9	-53	0	0	0	113	R635 T636 P729	R635-F639 HydrophobicContact CB-CD2 4.3Å; R635-F639 HydrophobicContact CB-CE2 3.86Å; R635-F639 HydrophobicContact CB-CZ 4.47Å; R635-F639 WeakPolarHBondContact O-CD2 3.2Å; R635-F639 VanDerWaalsContact O-CG 3.32Å; R635-F639 WeakPolarHBondContact O-CG 3.28Å; R635-F639 PolarHBondContact O-N 3.5Å; T636-F639 PolarHBondContact O-N 2.85Å; F639-P729 HydrophobicContact CD1-CG 4.09Å; F639-P729 HydrophobicContact CE1-CG 3.84Å
640	D	92.8	Very high	89.6	Confident	32 Å²	32	23.1 Å²	23.1	17%	0.171	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-44.2	174.2	-86	15.4	0	0	0	111.4	E306 F307 E308 T636 L638	E306-D640 HydrophobicContact CB-CB 4.09Å; E306-D640 HydrophobicContact CG-CB 4.46Å; F307-D640 PolarHBondContact N-OD2 3.49Å; E308-D640 HydrophobicContact CB-CB 4.34Å; E308-D640 PolarHBondContact N-OD2 2.96Å; T636-D640 PolarHBondContact O-N 3.33Å; L638-D640 VanDerWaalsContact C-N 3.33Å; L638-D640 PolarHBondContact O-N 2.86Å
641	L	94	Very high	89.3	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-80.9	-21.5	-178.3	-63.4	178.9	0	0	0	114.4	L280 W376 F380 L562 I637 L638 P643 Y644 I645	L280-L641 HydrophobicContact CD2-CD2 3.61Å; W376-L641 HydrophobicContact CH2-CD1 4.17Å; W376-L641 HydrophobicContact CZ2-CD1 4.39Å; F380-L641 HydrophobicContact CE1-CD1 4.42Å; F380-L641 HydrophobicContact CZ-CD1 4.32Å; L562-L641 HydrophobicContact CD2-CD1 4.06Å; I637-L641 HydrophobicContact CG2-CD1 3.68Å; I637-L641 HydrophobicContact CG2-CG 4.27Å; I637-L641 WeakPolarHBondContact O-CB 3.46Å; I637-L641 VanDerWaalsContact O-CG 3.3Å; I637-L641 WeakPolarHBondContact O-CG 3.44Å; I637-L641 PolarHBondContact O-N 3.48Å; I637-L641 VanDerWaalsContact O-N 3.13Å; L638-L641 PolarHBondContact O-N 3.23Å; L641-P643 VanDerWaalsContact C-CD 3.48Å; L641-Y644 PolarHBondContact O-N 3.32Å; L641-Y644 VanDerWaalsContact O-N 3.16Å; L641-I645 HydrophobicContact CB-CG2 4.43Å; L641-I645 PolarHBondContact O-N 2.69Å; L641-I645 VanDerWaalsContact O-N 3.1Å
642	Y	91.4	Very high	89.4	Confident	7 Å²	7	21.3 Å²	21.3	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-55	-45.6	-165.6	-165.3	-109.8	0	0	0	115	F626 L638 Y644 I645 W646 P725 P726 P729 T730	F626-Y642 HydrophobicContact CE2-CD2 4.47Å; F626-Y642 AromaticContact CE2-CE2 3.84Å; F626-Y642 HydrophobicContact CE2-CE2 3.84Å; F626-Y642 HydrophobicContact CZ-CE2 4.02Å; L638-Y642 HydrophobicContact CD1-CD2 3.9Å; L638-Y642 HydrophobicContact CG-CD2 4.48Å; L638-Y642 WeakPolarHBondContact O-CA 3.49Å; L638-Y642 VanDerWaalsContact O-CB 3.24Å; L638-Y642 WeakPolarHBondContact O-CB 3.41Å; L638-Y642 PolarHBondContact O-N 3.48Å; Y642-Y644 VanDerWaalsContact C-N 3.28Å; Y642-Y644 PolarHBondContact O-N 2.61Å; Y642-I645 HydrophobicContact CD2-CD1 4.44Å; Y642-I645 HydrophobicContact CD2-CG1 4.48Å; Y642-W646 HydrophobicContact CE1-CD2 4.41Å; Y642-W646 HydrophobicContact CE1-CE3 4.17Å; Y642-W646 HydrophobicContact CE2-CE3 4.18Å; Y642-W646 AromaticContact CZ-CE3 3.55Å; Y642-W646 WeakPolarHBondContact O-CB 3.44Å; Y642-W646 PolarHBondContact O-N 3.17Å; Y642-W646 WeakPolarHBondContact OH-CZ3 3.2Å; Y642-P725 HydrophobicContact CD1-CB 3.82Å; Y642-P725 HydrophobicContact CD1-CG 4.42Å; Y642-P725 HydrophobicContact CE1-CB 3.85Å; Y642-P726 HydrophobicContact CE1-CG 3.95Å; Y642-P729 HydrophobicContact CD1-CG 4.46Å; Y642-P729 HydrophobicContact CD2-CB 4Å; Y642-P729 HydrophobicContact CD2-CG 4.11Å; Y642-P729 HydrophobicContact CE1-CB 4.48Å; Y642-P729 HydrophobicContact CE2-CB 3.63Å; Y642-P729 HydrophobicContact CE2-CG 4.19Å; Y642-P729 HydrophobicContact CG-CG 4.25Å; Y642-P729 WeakPolarHBondContact OH-CA 3.49Å; Y642-T730 PolarHBondContact OH-N 3.43Å
643	P	89.6	Confident	89.3	Confident	55 Å²	55	21.6 Å²	21.6	36%	0.357	11%	0.114	S	C	.	.	H	α-helix	trans	-58.2	-42	-179.7	-21.2	32.4	0	0	0	112.5	L641 D647 P725	L641-P643 VanDerWaalsContact C-CD 3.48Å; P643-D647 PolarHBondContact O-N 2.97Å; P643-P725 HydrophobicContact CB-CG 4.01Å; P643-P725 HydrophobicContact CG-CG 4.11Å
644	Y	91.4	Very high	89	Confident	15 Å²	15	19.5 Å²	19.5	6%	0.059	10%	0.096	C	C	.	.	H	α-helix	trans	-71.3	-51.3	-177.2	-55.9	-79	0	0	0	111.4	N273 Q277 R279 L280 E306 F566 L641 Y642 W646 D647 I648	N273-Y644 PolarHBondContact ND2-OH 2.9Å; Q277-Y644 WeakPolarHBondContact O-CE1 3.49Å; R279-Y644 VanDerWaalsContact O-CE1 3.29Å; R279-Y644 WeakPolarHBondContact O-CE1 3.48Å; L280-Y644 HydrophobicContact CB-CD1 3.91Å; L280-Y644 HydrophobicContact CB-CD2 4.47Å; L280-Y644 HydrophobicContact CB-CE1 4.12Å; L280-Y644 HydrophobicContact CB-CG 4.1Å; L280-Y644 HydrophobicContact CD1-CD2 4.25Å; L280-Y644 HydrophobicContact CD1-CE2 3.98Å; L280-Y644 HydrophobicContact CD2-CD2 4.01Å; L280-Y644 HydrophobicContact CD2-CG 4.11Å; L280-Y644 HydrophobicContact CG-CD2 4.49Å; E306-Y644 VanDerWaalsContact CD-OH 3.23Å; E306-Y644 HydrophobicContact CG-CE2 4.03Å; E306-Y644 WeakPolarHBondContact OE1-CE2 3.27Å; E306-Y644 PolarHBondContact OE1-OH 3.11Å; E306-Y644 PolarHBondContact OE2-OH 2.81Å; F566-Y644 WeakPolarHBondContact CZ-O 3.48Å; L641-Y644 PolarHBondContact O-N 3.32Å; L641-Y644 VanDerWaalsContact O-N 3.16Å; Y642-Y644 VanDerWaalsContact C-N 3.28Å; Y642-Y644 PolarHBondContact O-N 2.61Å; Y644-W646 PolarHBondContact O-N 3.07Å; Y644-D647 PolarHBondContact O-N 3.16Å; Y644-I648 PolarHBondContact O-N 3.36Å
645	I	92.4	Very high	88.9	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-28	-179.8	65.9	172.5	0	0	0	112.5	L562 F566 F626 L629 L638 L641 Y642 K649	L562-I645 HydrophobicContact CD1-CG2 3.44Å; L562-I645 VanDerWaalsContact CD1-CG2 3.44Å; F566-I645 HydrophobicContact CE2-CG2 4.41Å; F626-I645 HydrophobicContact CD2-CB 4.28Å; F626-I645 HydrophobicContact CD2-CD1 4.04Å; F626-I645 HydrophobicContact CD2-CG1 3.95Å; F626-I645 HydrophobicContact CE2-CD1 4.35Å; F626-I645 HydrophobicContact CE2-CG1 4.24Å; L629-I645 HydrophobicContact CB-CD1 3.97Å; L629-I645 HydrophobicContact CD1-CD1 4.27Å; L629-I645 HydrophobicContact CD1-CG2 4.31Å; L638-I645 HydrophobicContact CD1-CD1 4.03Å; L641-I645 HydrophobicContact CB-CG2 4.43Å; L641-I645 PolarHBondContact O-N 2.69Å; L641-I645 VanDerWaalsContact O-N 3.1Å; Y642-I645 HydrophobicContact CD2-CD1 4.44Å; Y642-I645 HydrophobicContact CD2-CG1 4.48Å; I645-K649 WeakPolarHBondContact O-CB 3.25Å; I645-K649 PolarHBondContact O-N 3.31Å; I645-K649 VanDerWaalsContact O-N 3.16Å
646	W	87	Confident	88.8	Confident	14 Å²	14	16.5 Å²	16.5	5%	0.053	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-47.7	175.2	-177	-96.2	0	0	0	112.8	F626 Y642 Y644 S650 P725 P726 T730 D874 S876	F626-W646 HydrophobicContact CE1-CE3 4.47Å; F626-W646 HydrophobicContact CE1-CZ3 4.37Å; F626-W646 AromaticContact CE2-CE3 3.66Å; F626-W646 HydrophobicContact CE2-CE3 3.66Å; F626-W646 HydrophobicContact CE2-CZ3 4.32Å; F626-W646 AromaticContact CZ-CE3 3.46Å; F626-W646 HydrophobicContact CZ-CE3 3.46Å; F626-W646 VanDerWaalsContact CZ-CE3 3.46Å; F626-W646 AromaticContact CZ-CZ3 3.63Å; F626-W646 HydrophobicContact CZ-CZ3 3.63Å; Y642-W646 HydrophobicContact CE1-CD2 4.41Å; Y642-W646 HydrophobicContact CE1-CE3 4.17Å; Y642-W646 HydrophobicContact CE2-CE3 4.18Å; Y642-W646 AromaticContact CZ-CE3 3.55Å; Y642-W646 WeakPolarHBondContact O-CB 3.44Å; Y642-W646 PolarHBondContact O-N 3.17Å; Y642-W646 WeakPolarHBondContact OH-CZ3 3.2Å; Y644-W646 PolarHBondContact O-N 3.07Å; W646-S650 WeakPolarHBondContact O-CB 3.39Å; W646-S650 PolarHBondContact O-N 2.98Å; W646-S650 PolarHBondContact O-OG 3.32Å; W646-P725 HydrophobicContact CB-CB 4.41Å; W646-P725 HydrophobicContact CG-CB 4.19Å; W646-P726 HydrophobicContact CH2-CG 3.98Å; W646-P726 HydrophobicContact CZ2-CG 3.94Å; W646-P726 HydrophobicContact CZ3-CG 4.34Å; W646-T730 WeakPolarHBondContact CH2-OG1 3.43Å; W646-T730 WeakPolarHBondContact CZ3-OG1 3.32Å; W646-D874 WeakPolarHBondContact CH2-OD2 3.24Å; W646-D874 WeakPolarHBondContact CZ2-OD2 3.2Å; W646-S876 WeakPolarHBondContact CZ2-OG 3.28Å
647	D	84.8	Confident	88.5	Confident	33 Å²	33	15.2 Å²	15.2	18%	0.176	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-49	-179.2	-164.3	34.9	0	0	0	110.7	K278 P643 Y644 K649 S650 I651	K278-D647 IonicContact NZ-OD1 2.73Å; K278-D647 PolarHBondContact NZ-OD1 3.11Å; K278-D647 IonicContact NZ-OD2 3.5Å; K278-D647 PolarHBondContact NZ-OD2 3.25Å; P643-D647 PolarHBondContact O-N 2.97Å; Y644-D647 PolarHBondContact O-N 3.16Å; D647-K649 PolarHBondContact O-N 3.42Å; D647-S650 PolarHBondContact O-N 3.23Å; D647-I651 WeakPolarHBondContact O-CG1 3.25Å; D647-I651 PolarHBondContact O-N 3.16Å
648	I	88.9	Confident	88	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-66.2	-40.1	179.8	-165.1	60.6	0	0	0	112.6	L565 F566 V622 Y644 S650 I651 M652 L704 A705	L565-I648 HydrophobicContact CD2-CG1 4.38Å; F566-I648 HydrophobicContact CE2-CG2 3.86Å; F566-I648 HydrophobicContact CZ-CB 3.98Å; F566-I648 HydrophobicContact CZ-CG2 3.68Å; V622-I648 HydrophobicContact CG1-CG2 4.39Å; Y644-I648 PolarHBondContact O-N 3.36Å; I648-S650 VanDerWaalsContact C-N 3.31Å; I648-S650 PolarHBondContact O-N 3.2Å; I648-I651 PolarHBondContact O-N 2.74Å; I648-M652 HydrophobicContact CD1-CE 4.27Å; I648-M652 HydrophobicContact CD1-CG 4.37Å; I648-M652 HydrophobicContact CG1-CG 4.3Å; I648-M652 VanDerWaalsContact O-CB 3.3Å; I648-M652 WeakPolarHBondContact O-CB 3.21Å; I648-M652 WeakPolarHBondContact O-CG 3.3Å; I648-M652 PolarHBondContact O-N 3.09Å; I648-L704 HydrophobicContact CD1-CD2 4.2Å; I648-L704 HydrophobicContact CD1-CG 4.35Å; I648-A705 HydrophobicContact CD1-CB 4.34Å
649	K	87.8	Confident	87.7	Confident	12 Å²	12	15.3 Å²	15.3	5%	0.052	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-40.5	174.3	163.7	-99.2	177.3	177.9	0	111.5	I623 F626 I645 D647 M652 S653	I623-K649 HydrophobicContact CG1-CG 4.43Å; F626-K649 HydrophobicContact CB-CB 3.94Å; F626-K649 HydrophobicContact CB-CG 3.93Å; F626-K649 HydrophobicContact CD1-CD 3.99Å; F626-K649 HydrophobicContact CD1-CG 3.86Å; F626-K649 HydrophobicContact CD2-CB 4.09Å; F626-K649 HydrophobicContact CD2-CD 4.39Å; F626-K649 HydrophobicContact CD2-CG 4.24Å; F626-K649 HydrophobicContact CE1-CD 4.19Å; F626-K649 HydrophobicContact CG-CB 3.91Å; F626-K649 HydrophobicContact CG-CD 4.12Å; F626-K649 HydrophobicContact CG-CG 3.7Å; F626-K649 HydrophobicContact CZ-CD 4.5Å; I645-K649 WeakPolarHBondContact O-CB 3.25Å; I645-K649 PolarHBondContact O-N 3.31Å; I645-K649 VanDerWaalsContact O-N 3.16Å; D647-K649 PolarHBondContact O-N 3.42Å; K649-M652 PolarHBondContact O-N 2.97Å; K649-S653 WeakPolarHBondContact O-CB 3.49Å; K649-S653 PolarHBondContact O-N 3.29Å
650	S	83.1	Confident	87.4	Confident	13 Å²	13	13.6 Å²	13.6	9%	0.091	7%	0.072	C	C	.	.	H	α-helix	trans	-69.2	-45	-178.1	-57	0	0	0	0	111.1	W646 D647 I648 S653 M654	W646-S650 WeakPolarHBondContact O-CB 3.39Å; W646-S650 PolarHBondContact O-N 2.98Å; W646-S650 PolarHBondContact O-OG 3.32Å; D647-S650 PolarHBondContact O-N 3.23Å; I648-S650 VanDerWaalsContact C-N 3.31Å; I648-S650 PolarHBondContact O-N 3.2Å; S650-S653 PolarHBondContact O-N 3.1Å; S650-M654 PolarHBondContact O-N 3.1Å; S650-M654 VanDerWaalsContact O-N 3.12Å
651	I	84.4	Confident	87	Confident	4 Å²	4	12 Å²	12	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-66.1	-39.7	175.8	-66.9	163.1	0	0	0	111.1	D647 I648 S653 M654 V655 A705 F708	D647-I651 WeakPolarHBondContact O-CG1 3.25Å; D647-I651 PolarHBondContact O-N 3.16Å; I648-I651 PolarHBondContact O-N 2.74Å; I651-S653 PolarHBondContact O-N 3.13Å; I651-M654 HydrophobicContact CB-CE 4.35Å; I651-M654 HydrophobicContact CG1-CE 4.18Å; I651-M654 HydrophobicContact CG2-CE 4.22Å; I651-M654 PolarHBondContact O-N 2.86Å; I651-V655 HydrophobicContact CG2-CG2 4.22Å; I651-V655 WeakPolarHBondContact O-CB 3.21Å; I651-V655 VanDerWaalsContact O-CG2 3.27Å; I651-V655 WeakPolarHBondContact O-CG2 3.11Å; I651-V655 PolarHBondContact O-N 3.19Å; I651-A705 HydrophobicContact CD1-CB 3.62Å; I651-F708 HydrophobicContact CG2-CB 3.67Å
652	M	87.2	Confident	86.4	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.5	-37.5	174.7	-73.2	-59	98.8	0	0	113.3	M579 V622 I648 K649 V655 K656 F708	M579-M652 HydrophobicContact CE-CG 4.44Å; M579-M652 HydrophobicContact CE-SD 3.41Å; M579-M652 WeakPolarHBondContact CE-SD 3.47Å; V622-M652 HydrophobicContact CB-CB 4.5Å; V622-M652 HydrophobicContact CB-CG 4.24Å; V622-M652 HydrophobicContact CG1-CB 4.47Å; V622-M652 HydrophobicContact CG1-CG 4.08Å; V622-M652 HydrophobicContact CG2-CG 4.22Å; I648-M652 HydrophobicContact CD1-CE 4.27Å; I648-M652 HydrophobicContact CD1-CG 4.37Å; I648-M652 HydrophobicContact CG1-CG 4.3Å; I648-M652 VanDerWaalsContact O-CB 3.3Å; I648-M652 WeakPolarHBondContact O-CB 3.21Å; I648-M652 WeakPolarHBondContact O-CG 3.3Å; I648-M652 PolarHBondContact O-N 3.09Å; K649-M652 PolarHBondContact O-N 2.97Å; M652-V655 HydrophobicContact CE-CB 4.48Å; M652-V655 HydrophobicContact CE-CG2 4.39Å; M652-V655 PolarHBondContact O-N 3.43Å; M652-K656 VanDerWaalsContact O-CB 3.25Å; M652-K656 WeakPolarHBondContact O-CB 3.42Å; M652-K656 PolarHBondContact O-N 3.24Å; M652-F708 HydrophobicContact CE-CB 4.04Å; M652-F708 HydrophobicContact CE-CD1 3.77Å; M652-F708 HydrophobicContact CE-CD2 3.29Å; M652-F708 HydrophobicContact CE-CE1 3.98Å; M652-F708 HydrophobicContact CE-CE2 3.52Å; M652-F708 HydrophobicContact CE-CG 3.42Å; M652-F708 VanDerWaalsContact CE-CG 3.42Å; M652-F708 HydrophobicContact CE-CZ 3.86Å; M652-F708 HydrophobicContact SD-CE2 4.37Å; M652-F708 HydrophobicContact SD-CZ 4.45Å
653	S	85.2	Confident	85.9	Confident	11 Å²	11	14.6 Å²	14.6	8%	0.077	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-43.9	174.2	-170.4	0	0	0	0	111.7	K649 S650 I651 S657	K649-S653 WeakPolarHBondContact O-CB 3.49Å; K649-S653 PolarHBondContact O-N 3.29Å; S650-S653 PolarHBondContact O-N 3.1Å; I651-S653 PolarHBondContact O-N 3.13Å; S653-S657 WeakPolarHBondContact O-CB 3.43Å; S653-S657 PolarHBondContact O-N 2.89Å; S653-S657 PolarHBondContact O-OG 3.25Å
654	M	82.5	Confident	84.7	Confident	4 Å²	4	13.7 Å²	13.7	2%	0.02	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-44.1	174.9	171.5	-179.3	53.6	0	0	112.7	S650 I651 S657 F658 L712 F721	S650-M654 PolarHBondContact O-N 3.1Å; S650-M654 VanDerWaalsContact O-N 3.12Å; I651-M654 HydrophobicContact CB-CE 4.35Å; I651-M654 HydrophobicContact CG1-CE 4.18Å; I651-M654 HydrophobicContact CG2-CE 4.22Å; I651-M654 PolarHBondContact O-N 2.86Å; M654-S657 WeakPolarHBondContact O-CB 3.44Å; M654-S657 PolarHBondContact O-N 3.41Å; M654-F658 PolarHBondContact O-N 3.46Å; M654-L712 HydrophobicContact CE-CD1 3.37Å; M654-L712 HydrophobicContact CG-CD1 4.05Å; M654-L712 HydrophobicContact SD-CD1 3.68Å; M654-F721 HydrophobicContact CE-CD1 4.12Å; M654-F721 HydrophobicContact CE-CE1 3.55Å; M654-F721 HydrophobicContact SD-CE1 3.71Å; M654-F721 HydrophobicContact SD-CZ 4.46Å
655	V	85.3	Confident	83.6	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-40.1	178.6	174	0	0	0	0	111	F583 F615 I651 M652 S657 F658 V659 F708 L712	F583-V655 HydrophobicContact CD1-CG1 4.1Å; F583-V655 HydrophobicContact CD2-CG1 3.75Å; F583-V655 HydrophobicContact CE1-CG1 4.03Å; F583-V655 HydrophobicContact CE2-CG1 3.72Å; F583-V655 HydrophobicContact CG-CG1 3.97Å; F583-V655 HydrophobicContact CZ-CG1 3.86Å; F615-V655 HydrophobicContact CE1-CG1 3.84Å; F615-V655 HydrophobicContact CZ-CG1 3.65Å; I651-V655 HydrophobicContact CG2-CG2 4.22Å; I651-V655 WeakPolarHBondContact O-CB 3.21Å; I651-V655 VanDerWaalsContact O-CG2 3.27Å; I651-V655 WeakPolarHBondContact O-CG2 3.11Å; I651-V655 PolarHBondContact O-N 3.19Å; M652-V655 HydrophobicContact CE-CB 4.48Å; M652-V655 HydrophobicContact CE-CG2 4.39Å; M652-V655 PolarHBondContact O-N 3.43Å; V655-S657 VanDerWaalsContact C-N 3.34Å; V655-S657 PolarHBondContact O-N 3Å; V655-F658 PolarHBondContact O-N 2.79Å; V655-V659 WeakPolarHBondContact O-CG2 3.43Å; V655-V659 PolarHBondContact O-N 3.49Å; V655-F708 HydrophobicContact CG1-CD1 4.15Å; V655-F708 HydrophobicContact CG1-CE1 4.41Å; V655-F708 HydrophobicContact CG2-CB 4.16Å; V655-F708 HydrophobicContact CG2-CD1 4.1Å; V655-F708 HydrophobicContact CG2-CG 4.46Å; V655-L712 HydrophobicContact CG2-CD1 4.09Å; V655-L712 HydrophobicContact CG2-CD2 4.43Å; V655-L712 HydrophobicContact CG2-CG 4.42Å
656	K	87.5	Confident	82.1	Confident	35 Å²	35	14.5 Å²	14.5	15%	0.152	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-47.1	169.8	-176.5	-171.6	172.1	-176.7	0	111.4	Q616 C619 C620 M652 F658 V659 L660	Q616-K656 HydrophobicContact CB-CG 4.49Å; Q616-K656 HydrophobicContact CG-CG 4.08Å; C619-K656 HydrophobicContact CB-CB 3.88Å; C619-K656 HydrophobicContact CB-CD 4.23Å; C619-K656 HydrophobicContact CB-CG 4.19Å; C620-K656 PolarHBondContact SG-NZ 3.19Å; M652-K656 VanDerWaalsContact O-CB 3.25Å; M652-K656 WeakPolarHBondContact O-CB 3.42Å; M652-K656 PolarHBondContact O-N 3.24Å; K656-F658 VanDerWaalsContact C-N 3.33Å; K656-F658 PolarHBondContact O-N 3.13Å; K656-V659 PolarHBondContact O-N 3.13Å; K656-L660 HydrophobicContact CG-CD1 4.37Å; K656-L660 WeakPolarHBondContact O-CB 3.16Å; K656-L660 PolarHBondContact O-N 2.98Å
657	S	85	Confident	80.6	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.3	-39.8	178.1	-57.2	0	0	0	0	112.5	S653 M654 V655 W661 I736	S653-S657 WeakPolarHBondContact O-CB 3.43Å; S653-S657 PolarHBondContact O-N 2.89Å; S653-S657 PolarHBondContact O-OG 3.25Å; M654-S657 WeakPolarHBondContact O-CB 3.44Å; M654-S657 PolarHBondContact O-N 3.41Å; V655-S657 VanDerWaalsContact C-N 3.34Å; V655-S657 PolarHBondContact O-N 3Å; S657-W661 WeakPolarHBondContact O-CB 3.24Å; S657-W661 PolarHBondContact O-N 3.39Å; S657-I736 WeakPolarHBondContact OG-CB 3.48Å; S657-I736 PolarHBondContact OG-O 2.96Å
658	F	83.1	Confident	79	Confident	4 Å²	4	17.5 Å²	17.5	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-69.3	-41.9	177.1	-175.6	-110.2	0	0	0	111.9	F583 M654 V655 K656 W661 L662 L712 P713	F583-F658 HydrophobicContact CE2-CD1 4.03Å; F583-F658 HydrophobicContact CZ-CD1 4.05Å; F583-F658 HydrophobicContact CZ-CE1 4.42Å; M654-F658 PolarHBondContact O-N 3.46Å; V655-F658 PolarHBondContact O-N 2.79Å; K656-F658 VanDerWaalsContact C-N 3.33Å; K656-F658 PolarHBondContact O-N 3.13Å; F658-W661 AromaticContact CD2-CE3 3.96Å; F658-W661 HydrophobicContact CD2-CE3 3.96Å; F658-W661 HydrophobicContact CD2-CZ3 4.42Å; F658-W661 AromaticContact CE2-CE3 3.75Å; F658-W661 HydrophobicContact CE2-CE3 3.75Å; F658-W661 AromaticContact CE2-CZ3 3.75Å; F658-W661 HydrophobicContact CE2-CZ3 3.75Å; F658-W661 HydrophobicContact CZ-CZ3 4.3Å; F658-W661 WeakPolarHBondContact O-CB 3.47Å; F658-W661 PolarHBondContact O-N 2.9Å; F658-W661 VanDerWaalsContact O-N 3.1Å; F658-L662 HydrophobicContact CD1-CD1 4.21Å; F658-L662 HydrophobicContact CD1-CG 4.44Å; F658-L662 HydrophobicContact CE1-CD1 3.98Å; F658-L662 HydrophobicContact CE1-CD2 4.12Å; F658-L662 HydrophobicContact CE1-CG 4.21Å; F658-L662 HydrophobicContact CZ-CD2 3.96Å; F658-L662 HydrophobicContact CZ-CG 4.44Å; F658-L662 WeakPolarHBondContact O-CG 3.19Å; F658-L662 PolarHBondContact O-N 2.98Å; F658-L712 HydrophobicContact CB-CD2 4.11Å; F658-L712 HydrophobicContact CD1-CD2 3.78Å; F658-L712 HydrophobicContact CE1-CD2 4.33Å; F658-L712 HydrophobicContact CG-CD2 3.89Å; F658-P713 HydrophobicContact CE2-CG 3.92Å; F658-P713 HydrophobicContact CZ-CG 3.81Å
659	V	86	Confident	77	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-42.5	174.1	170.7	0	0	0	0	111.7	F583 L586 W608 A612 F615 V655 K656 W661 L662	F583-V659 HydrophobicContact CD2-CG2 3.7Å; F583-V659 HydrophobicContact CE2-CG2 3.78Å; L586-V659 HydrophobicContact CD1-CG1 4.16Å; W608-V659 HydrophobicContact CH2-CG1 4.46Å; A612-V659 HydrophobicContact CB-CG1 3.98Å; F615-V659 HydrophobicContact CD1-CB 4.29Å; F615-V659 HydrophobicContact CD1-CG1 4.23Å; F615-V659 HydrophobicContact CD1-CG2 3.87Å; F615-V659 HydrophobicContact CE1-CB 4.44Å; F615-V659 HydrophobicContact CE1-CG2 3.75Å; V655-V659 WeakPolarHBondContact O-CG2 3.43Å; V655-V659 PolarHBondContact O-N 3.49Å; K656-V659 PolarHBondContact O-N 3.13Å; V659-W661 PolarHBondContact O-N 3.49Å; V659-L662 PolarHBondContact O-N 2.8Å
660	L	85.9	Confident	75	Confident	40 Å²	40	23.9 Å²	23.9	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-30.3	172.1	-85.3	167.9	0	0	0	113.3	Q616 K656 P738	Q616-L660 VanDerWaalsContact OE1-CD2 3.24Å; K656-L660 HydrophobicContact CG-CD1 4.37Å; K656-L660 WeakPolarHBondContact O-CB 3.16Å; K656-L660 PolarHBondContact O-N 2.98Å; L660-P738 HydrophobicContact CB-CG 3.96Å
661	W	84.6	Confident	73.2	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-79.3	-29.9	175.8	173.2	87.5	0	0	0	113.1	S657 F658 V659 D663 R665 I666 P738 D786 Y787 F789 S888 A891 N892	S657-W661 WeakPolarHBondContact O-CB 3.24Å; S657-W661 PolarHBondContact O-N 3.39Å; F658-W661 AromaticContact CD2-CE3 3.96Å; F658-W661 HydrophobicContact CD2-CE3 3.96Å; F658-W661 HydrophobicContact CD2-CZ3 4.42Å; F658-W661 AromaticContact CE2-CE3 3.75Å; F658-W661 HydrophobicContact CE2-CE3 3.75Å; F658-W661 AromaticContact CE2-CZ3 3.75Å; F658-W661 HydrophobicContact CE2-CZ3 3.75Å; F658-W661 HydrophobicContact CZ-CZ3 4.3Å; F658-W661 WeakPolarHBondContact O-CB 3.47Å; F658-W661 PolarHBondContact O-N 2.9Å; F658-W661 VanDerWaalsContact O-N 3.1Å; V659-W661 PolarHBondContact O-N 3.49Å; W661-D663 PolarHBondContact O-N 3.26Å; W661-R665 HydrophobicContact CZ2-CB 4.47Å; W661-R665 WeakPolarHBondContact O-CB 3.3Å; W661-I666 HydrophobicContact CH2-CG1 4.47Å; W661-P738 HydrophobicContact CB-CG 4.16Å; W661-D786 VanDerWaalsContact CD1-O 3.29Å; W661-D786 PolarHBondContact NE1-O 3Å; W661-Y787 HydrophobicContact CZ2-CE1 4.11Å; W661-F789 HydrophobicContact CB-CE1 3.99Å; W661-F789 HydrophobicContact CB-CZ 3.89Å; W661-F789 AromaticContact CD1-CZ 3.69Å; W661-F789 HydrophobicContact CG-CE1 4.36Å; W661-F789 AromaticContact CG-CZ 3.8Å; W661-F789 HydrophobicContact CG-CZ 3.8Å; W661-S888 VanDerWaalsContact CE2-CB 3.42Å; W661-A891 HydrophobicContact CH2-CB 3.92Å; W661-A891 HydrophobicContact CZ3-CB 4.05Å; W661-N892 VanDerWaalsContact CH2-ND2 3.27Å; W661-N892 WeakPolarHBondContact CH2-ND2 3.07Å; W661-N892 VanDerWaalsContact CZ2-ND2 3.33Å; W661-N892 WeakPolarHBondContact CZ2-ND2 3.43Å
662	L	81.9	Confident	71.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-29	178.8	-70	171	0	0	0	112.7	V593 W608 F658 V659 G664 I666	V593-L662 WeakPolarHBondContact CG2-O 3.47Å; W608-L662 HydrophobicContact CH2-CB 3.86Å; W608-L662 HydrophobicContact CZ2-CB 3.85Å; W608-L662 HydrophobicContact CZ2-CD1 4.37Å; F658-L662 HydrophobicContact CD1-CD1 4.21Å; F658-L662 HydrophobicContact CD1-CG 4.44Å; F658-L662 HydrophobicContact CE1-CD1 3.98Å; F658-L662 HydrophobicContact CE1-CD2 4.12Å; F658-L662 HydrophobicContact CE1-CG 4.21Å; F658-L662 HydrophobicContact CZ-CD2 3.96Å; F658-L662 HydrophobicContact CZ-CG 4.44Å; F658-L662 WeakPolarHBondContact O-CG 3.19Å; F658-L662 PolarHBondContact O-N 2.98Å; V659-L662 PolarHBondContact O-N 2.8Å; L662-G664 PolarHBondContact O-N 2.78Å; L662-G664 VanDerWaalsContact O-N 3.12Å; L662-I666 HydrophobicContact CD2-CD1 3.8Å; L662-I666 HydrophobicContact CD2-CG1 4.26Å
663	D	80.5	Confident	69.3	Low	63 Å²	63	30.2 Å²	30.2	34%	0.337	17%	0.174	S	C	.	.	H	α-helix	trans	-69	107.3	178	-161.9	6.6	0	0	0	111.3	W608 Q609 W661 R665	W608-D663 HydrophobicContact CH2-CB 4.23Å; W608-D663 HydrophobicContact CZ3-CB 3.8Å; Q609-D663 PolarHBondContact NE2-OD1 3.42Å; Q609-D663 PolarHBondContact NE2-OD2 3.41Å; W661-D663 PolarHBondContact O-N 3.26Å; D663-R665 PolarHBondContact O-N 2.89Å
664	G	64	Low	67.3	Low	35 Å²	35	36.3 Å²	36.3	36%	0.361	20%	0.196	S	C	.	.	H	α-helix	trans	80.4	-3.3	171.9	0	0	0	0	0	117.4	V593 V595 L662	V593-G664 VanDerWaalsContact O-CA 3.27Å; V593-G664 WeakPolarHBondContact O-CA 3.44Å; V593-G664 PolarHBondContact O-N 3.2Å; V595-G664 WeakPolarHBondContact CG2-O 3.36Å; L662-G664 PolarHBondContact O-N 2.78Å; L662-G664 VanDerWaalsContact O-N 3.12Å
665	R	68.8	Low	65.5	Low	30 Å²	30	39 Å²	39	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-110.8	-1.9	-172.9	-53.3	-178.2	178	-134.4	-2.8	116.3	W661 D663 H667 Y739 S785 D786	W661-R665 HydrophobicContact CZ2-CB 4.47Å; W661-R665 WeakPolarHBondContact O-CB 3.3Å; D663-R665 PolarHBondContact O-N 2.89Å; R665-H667 PolarHBondContact O-N 3.45Å; R665-H667 PolarHBondContact O-ND1 3.25Å; R665-Y739 PolarHBondContact NH2-O 3.03Å; R665-S785 PolarHBondContact NH1-O 3.26Å; R665-D786 HydrophobicContact CB-CB 4.37Å; R665-D786 WeakPolarHBondContact CD-O 3.5Å; R665-D786 PolarHBondContact NH1-O 3.08Å
666	I	61	Low	63.7	Low	3 Å²	3	41.4 Å²	41.4	2%	0.015	22%	0.218	C	C	.	.			trans	-74	119.4	176.9	-62.1	166.9	0	0	0	110.4	V595 W661 L662	V595-I666 PolarHBondContact N-O 3.29Å; W661-I666 HydrophobicContact CH2-CG1 4.47Å; L662-I666 HydrophobicContact CD2-CD1 3.8Å; L662-I666 HydrophobicContact CD2-CG1 4.26Å
667	H	54.3	Low	61.3	Low	71 Å²	71	45.8 Å²	45.8	33%	0.329	24%	0.243	S	C	.	.			trans	-102.9	-31.3	-174.2	-83	80.5	0	0	0	114.1	N596 R665 D786 N892	N596-H667 PolarHBondContact ND2-O 3.21Å; R665-H667 PolarHBondContact O-N 3.45Å; R665-H667 PolarHBondContact O-ND1 3.25Å; H667-D786 VanDerWaalsContact CE1-CG 3.43Å; H667-D786 IonicContact CE1-OD1 3.29Å; H667-D786 IonicContact CE1-OD2 3.5Å; H667-D786 PolarHBondContact CE1-OD2 3.26Å; H667-D786 IonicContact NE2-OD2 2.73Å; H667-N892 PolarHBondContact N-OD1 3.05Å
668	S	51.3	Low	59.2	Low	40 Å²	40	47.8 Å²	47.8	28%	0.28	26%	0.257	S	S	.	.			trans	-114.6	82.2	-176.6	-169.6	0	0	0	0	113.2	S670 F671 Y672 N892	S668-S670 VanDerWaalsContact C-N 3.26Å; S668-S670 PolarHBondContact O-N 3.39Å; S668-F671 WeakPolarHBondContact OG-CB 3.39Å; S668-F671 PolarHBondContact OG-N 3.45Å; S668-Y672 WeakPolarHBondContact O-CB 3.23Å; S668-Y672 PolarHBondContact O-N 3.28Å; S668-N892 PolarHBondContact N-OD1 3.31Å
669	T	48.3	Very low	57	Low	47 Å²	47	48.4 Å²	48.4	29%	0.288	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-35	173.2	47.5	0	0	0	0	112.4	S594 C673	S594-T669 VanDerWaalsContact OG-CG2 3.32Å; S594-T669 WeakPolarHBondContact OG-CG2 3.27Å; T669-C673 WeakPolarHBondContact O-CB 3.35Å; T669-C673 PolarHBondContact O-N 3.22Å; T669-C673 PolarHBondContact O-SG 2.99Å
670	S	44.6	Very low	54.9	Low	100 Å²	100	57 Å²	57	70%	0.699	30%	0.298	S	S	*	.	H	α-helix	trans	-69.5	-35.4	-176.8	-163	0	0	0	0	113.7	S668 Y674	S668-S670 VanDerWaalsContact C-N 3.26Å; S668-S670 PolarHBondContact O-N 3.39Å; S670-Y674 VanDerWaalsContact O-CB 3.27Å; S670-Y674 WeakPolarHBondContact O-CB 3.32Å; S670-Y674 PolarHBondContact O-N 2.97Å
671	F	45.8	Very low	52.8	Low	80 Å²	80	57.1 Å²	57.1	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-86.6	-34.4	177.9	-157	-102	0	0	0	111.7	S668 Y674 W675	S668-F671 WeakPolarHBondContact OG-CB 3.39Å; S668-F671 PolarHBondContact OG-N 3.45Å; F671-Y674 PolarHBondContact O-N 3.03Å; F671-W675 AromaticContact CD1-CD1 3.76Å; F671-W675 AromaticContact CE1-CD1 3.48Å; F671-W675 VanDerWaalsContact CE1-CD1 3.48Å; F671-W675 AromaticContact CE1-NE1 3.47Å; F671-W675 PolarHBondContact O-N 3.32Å
672	Y	47.2	Very low	50.4	Low	27 Å²	27	59.1 Å²	59.1	11%	0.106	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-49.7	173.5	-170.8	-97.8	0	0	0	111.7	R587 S590 S668 Y674 W675 I676 A891	R587-Y672 PolarHBondContact O-OH 2.74Å; S590-Y672 PolarHBondContact OG-OH 3.26Å; S668-Y672 WeakPolarHBondContact O-CB 3.23Å; S668-Y672 PolarHBondContact O-N 3.28Å; Y672-Y674 PolarHBondContact O-N 3.26Å; Y672-W675 PolarHBondContact O-N 2.78Å; Y672-I676 HydrophobicContact CD1-CG1 4.41Å; Y672-I676 HydrophobicContact CE1-CG1 4.31Å; Y672-I676 WeakPolarHBondContact O-CG1 3.47Å; Y672-I676 PolarHBondContact O-N 2.96Å; Y672-I676 VanDerWaalsContact O-N 3.08Å; Y672-A891 WeakPolarHBondContact CD2-O 3.12Å
673	C	41.9	Very low	48.1	Very low	43 Å²	43	69.2 Å²	69.2	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-42.2	174.3	-60.9	0	0	0	0	110.7	T669 W675 I676 D677	T669-C673 WeakPolarHBondContact O-CB 3.35Å; T669-C673 PolarHBondContact O-N 3.22Å; T669-C673 PolarHBondContact O-SG 2.99Å; C673-W675 VanDerWaalsContact C-N 3.28Å; C673-W675 PolarHBondContact O-N 3.25Å; C673-I676 CarbonylContact O-C 3.49Å; C673-I676 WeakPolarHBondContact O-CB 3.43Å; C673-I676 PolarHBondContact O-N 2.67Å; C673-I676 VanDerWaalsContact O-N 3.14Å; C673-D677 VanDerWaalsContact O-CB 3.26Å; C673-D677 WeakPolarHBondContact O-CB 2.96Å; C673-D677 PolarHBondContact O-N 3.29Å
674	Y	43.7	Very low	46	Very low	139 Å²	139	69.2 Å²	69.2	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-34.1	175.2	-176.7	-104.4	0	0	0	113.4	S670 F671 Y672 S678	S670-Y674 VanDerWaalsContact O-CB 3.27Å; S670-Y674 WeakPolarHBondContact O-CB 3.32Å; S670-Y674 PolarHBondContact O-N 2.97Å; F671-Y674 PolarHBondContact O-N 3.03Å; Y672-Y674 PolarHBondContact O-N 3.26Å; Y674-S678 WeakPolarHBondContact CD2-OG 3.44Å; Y674-S678 WeakPolarHBondContact CE1-OG 3.28Å; Y674-S678 VanDerWaalsContact CE2-OG 3.23Å; Y674-S678 WeakPolarHBondContact CE2-OG 3.45Å; Y674-S678 WeakPolarHBondContact O-CB 3.25Å; Y674-S678 PolarHBondContact O-N 3.16Å; Y674-S678 PolarHBondContact O-OG 3.47Å
675	W	45.5	Very low	44.7	Very low	62 Å²	62	70.7 Å²	70.7	24%	0.235	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-39.3	174.3	-108.2	85.9	0	0	0	113.2	F671 Y672 C673 W681	F671-W675 AromaticContact CD1-CD1 3.76Å; F671-W675 AromaticContact CE1-CD1 3.48Å; F671-W675 VanDerWaalsContact CE1-CD1 3.48Å; F671-W675 AromaticContact CE1-NE1 3.47Å; F671-W675 PolarHBondContact O-N 3.32Å; Y672-W675 PolarHBondContact O-N 2.78Å; C673-W675 VanDerWaalsContact C-N 3.28Å; C673-W675 PolarHBondContact O-N 3.25Å; W675-W681 HydrophobicContact CE3-CB 4.17Å; W675-W681 AromaticContact CE3-CE3 3.71Å; W675-W681 HydrophobicContact CE3-CE3 3.71Å; W675-W681 AromaticContact CZ3-CE3 3.86Å; W675-W681 HydrophobicContact CZ3-CE3 3.86Å; W675-W681 VanDerWaalsContact O-CB 3.27Å; W675-W681 WeakPolarHBondContact O-CB 3.27Å; W675-W681 PolarHBondContact O-N 3.39Å
676	I	46	Very low	42.9	Very low	49 Å²	49	74.2 Å²	74.2	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-57.6	171.9	-63.8	-76	0	0	0	110	Y672 C673 G679 W681	Y672-I676 HydrophobicContact CD1-CG1 4.41Å; Y672-I676 HydrophobicContact CE1-CG1 4.31Å; Y672-I676 WeakPolarHBondContact O-CG1 3.47Å; Y672-I676 PolarHBondContact O-N 2.96Å; Y672-I676 VanDerWaalsContact O-N 3.08Å; C673-I676 CarbonylContact O-C 3.49Å; C673-I676 WeakPolarHBondContact O-CB 3.43Å; C673-I676 PolarHBondContact O-N 2.67Å; C673-I676 VanDerWaalsContact O-N 3.14Å; I676-G679 PolarHBondContact O-N 3.3Å; I676-W681 HydrophobicContact CD1-CG 4.33Å
677	D	38.3	Very low	41.6	Very low	127 Å²	127	77 Å²	77	68%	0.679	40%	0.398	S	S	*	.	H	α-helix	trans	-72.6	-31.3	-170.3	-63	-31.4	0	0	0	113.7	C673 G679	C673-D677 VanDerWaalsContact O-CB 3.26Å; C673-D677 WeakPolarHBondContact O-CB 2.96Å; C673-D677 PolarHBondContact O-N 3.29Å; D677-G679 PolarHBondContact O-N 3.21Å
678	S	39.5	Very low	40.7	Very low	42 Å²	42	75 Å²	75	29%	0.294	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.2	173.9	-67.8	0	0	0	0	113.2	Y674 R680	Y674-S678 WeakPolarHBondContact CD2-OG 3.44Å; Y674-S678 WeakPolarHBondContact CE1-OG 3.28Å; Y674-S678 VanDerWaalsContact CE2-OG 3.23Å; Y674-S678 WeakPolarHBondContact CE2-OG 3.45Å; Y674-S678 WeakPolarHBondContact O-CB 3.25Å; Y674-S678 PolarHBondContact O-N 3.16Å; Y674-S678 PolarHBondContact O-OG 3.47Å; S678-R680 PolarHBondContact O-N 3.46Å
679	G	37.4	Very low	40.1	Very low	18 Å²	18	80.7 Å²	80.7	19%	0.186	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	11.8	-175.1	0	0	0	0	0	113.5	I676 D677 C682 R683	I676-G679 PolarHBondContact O-N 3.3Å; D677-G679 PolarHBondContact O-N 3.21Å; G679-C682 CarbonylContact O-C 3.58Å; G679-C682 PolarHBondContact O-N 2.66Å; G679-R683 VanDerWaalsContact O-CB 3.32Å; G679-R683 WeakPolarHBondContact O-CB 3.24Å; G679-R683 WeakPolarHBondContact O-CG 3.33Å; G679-R683 PolarHBondContact O-N 2.93Å
680	R	42.5	Very low	39.4	Very low	182 Å²	182	81.2 Å²	81.2	69%	0.687	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-36.9	177.7	-140.5	175.3	-69.1	-137	2.6	110.4	S678 C682	S678-R680 PolarHBondContact O-N 3.46Å; R680-C682 VanDerWaalsContact C-N 3.28Å; R680-C682 PolarHBondContact O-N 2.71Å
681	W	41.5	Very low	38.9	Very low	42 Å²	42	78.9 Å²	78.9	16%	0.159	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.5	165.5	-166.4	-98.4	0	0	0	114.1	R587 W675 I676 Q685 L711 P713	R587-W681 VanDerWaalsContact CZ-NE1 3.28Å; R587-W681 VanDerWaalsContact NH1-CZ2 3.26Å; R587-W681 VanDerWaalsContact NH1-NE1 3.16Å; W675-W681 HydrophobicContact CE3-CB 4.17Å; W675-W681 AromaticContact CE3-CE3 3.71Å; W675-W681 HydrophobicContact CE3-CE3 3.71Å; W675-W681 AromaticContact CZ3-CE3 3.86Å; W675-W681 HydrophobicContact CZ3-CE3 3.86Å; W675-W681 VanDerWaalsContact O-CB 3.27Å; W675-W681 WeakPolarHBondContact O-CB 3.27Å; W675-W681 PolarHBondContact O-N 3.39Å; I676-W681 HydrophobicContact CD1-CG 4.33Å; W681-Q685 PolarHBondContact O-NE2 3.04Å; W681-L711 WeakPolarHBondContact CZ2-O 3.48Å; W681-P713 HydrophobicContact CH2-CB 3.55Å; W681-P713 HydrophobicContact CH2-CG 4.28Å; W681-P713 HydrophobicContact CZ3-CB 3.71Å
682	C	34.1	Very low	38.4	Very low	42 Å²	42	85.7 Å²	85.7	28%	0.284	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-10.3	-172.8	-58.3	0	0	0	0	115	G679 R680 S684 Q685	G679-C682 CarbonylContact O-C 3.58Å; G679-C682 PolarHBondContact O-N 2.66Å; R680-C682 VanDerWaalsContact C-N 3.28Å; R680-C682 PolarHBondContact O-N 2.71Å; C682-S684 PolarHBondContact O-N 2.71Å; C682-Q685 HydrophobicContact CB-CG 4.46Å; C682-Q685 WeakPolarHBondContact O-CB 3.06Å; C682-Q685 PolarHBondContact O-N 2.96Å; C682-Q685 PolarHBondContact SG-NE2 3.46Å; C682-Q685 VanDerWaalsContact SG-NE2 3.4Å
683	R	33.2	Very low	38	Very low	212 Å²	212	86.8 Å²	86.8	80%	0.8	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12.7	176.3	-88.5	170	-174.1	-134.2	1.1	113.8	G679	G679-R683 VanDerWaalsContact O-CB 3.32Å; G679-R683 WeakPolarHBondContact O-CB 3.24Å; G679-R683 WeakPolarHBondContact O-CG 3.33Å; G679-R683 PolarHBondContact O-N 2.93Å
684	S	37.2	Very low	38.2	Very low	62 Å²	62	93.4 Å²	93.4	43%	0.434	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-14.7	165.4	55	0	0	0	0	113.4	C682 S687 A688	C682-S684 PolarHBondContact O-N 2.71Å; S684-S687 CarbonylContact O-C 3.58Å; S684-S687 PolarHBondContact O-N 3.04Å; S684-S687 VanDerWaalsContact O-N 3.15Å; S684-S687 PolarHBondContact O-OG 2.93Å; S684-A688 WeakPolarHBondContact O-CB 3.27Å; S684-A688 PolarHBondContact O-N 2.97Å
685	Q	37.3	Very low	38.5	Very low	66 Å²	66	92 Å²	92	31%	0.308	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-80.5	-22.8	-169.1	-65.7	177.1	17.8	0	0	113.8	W681 C682 S687 A688	W681-Q685 PolarHBondContact O-NE2 3.04Å; C682-Q685 HydrophobicContact CB-CG 4.46Å; C682-Q685 WeakPolarHBondContact O-CB 3.06Å; C682-Q685 PolarHBondContact O-N 2.96Å; C682-Q685 PolarHBondContact SG-NE2 3.46Å; C682-Q685 VanDerWaalsContact SG-NE2 3.4Å; Q685-S687 PolarHBondContact O-N 2.99Å; Q685-S687 VanDerWaalsContact O-N 3.11Å; Q685-A688 PolarHBondContact O-N 3.35Å
686	S	30.8	Very low	38.8	Very low	105 Å²	105	90.5 Å²	90.5	73%	0.734	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-65.9	-4.5	165.9	51.4	0	0	0	0	113.7
687	S	33.2	Very low	38.3	Very low	60 Å²	60	88.2 Å²	88.2	42%	0.42	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-130.9	14.1	177	47.9	0	0	0	0	113.1	S684 Q685 F700	S684-S687 CarbonylContact O-C 3.58Å; S684-S687 PolarHBondContact O-N 3.04Å; S684-S687 VanDerWaalsContact O-N 3.15Å; S684-S687 PolarHBondContact O-OG 2.93Å; Q685-S687 PolarHBondContact O-N 2.99Å; Q685-S687 VanDerWaalsContact O-N 3.11Å; S687-F700 WeakPolarHBondContact O-CE1 3.45Å
688	A	35.2	Very low	39.1	Very low	30 Å²	30	86.9 Å²	86.9	25%	0.248	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-0.2	-178.7	0	0	0	0	0	114.1	S684 Q685	S684-A688 WeakPolarHBondContact O-CB 3.27Å; S684-A688 PolarHBondContact O-N 2.97Å; Q685-A688 PolarHBondContact O-N 3.35Å
689	Q	39.2	Very low	39.1	Very low	159 Å²	159	87.4 Å²	87.4	74%	0.743	45%	0.447	S	S	*	.	S	Bend	trans	-99.5	149	150	-63.5	175.8	2.1	0	0	106.2	P691	Q689-P691 WeakPolarHBondContact O-CD 3.18Å
690	F	34	Very low	39.8	Very low	58 Å²	58	87.9 Å²	87.9	25%	0.254	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-50.9	116.1	165.4	-82.8	-75.6	0	0	0	108.2	Y570 H572 K692 F700	Y570-F690 VanDerWaalsContact C-CZ 3.48Å; H572-F690 AromaticContact CD2-CE2 3.89Å; H572-F690 AromaticContact NE2-CE2 3.76Å; F690-K692 PolarHBondContact O-N 3.2Å; F690-F700 HydrophobicContact CD1-CD2 4.47Å; F690-F700 HydrophobicContact CE1-CD2 4.45Å
691	P	33	Very low	40.7	Very low	51 Å²	51	86.9 Å²	86.9	33%	0.331	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-62.1	142.8	-179	-23.4	34.9	0	0	0	109.8	Q689 G693 F700	Q689-P691 WeakPolarHBondContact O-CD 3.18Å; P691-G693 PolarHBondContact O-N 3.04Å; P691-F700 HydrophobicContact CG-CE1 4.45Å; P691-F700 HydrophobicContact CG-CZ 3.76Å
692	K	35.7	Very low	41.9	Very low	223 Å²	223	85.2 Å²	85.2	97%	0.97	44%	0.437	S	S	*	.	S	Bend	trans	-71.7	73.9	161.5	-69.9	-167.7	174.2	-167.8	0	108	F690	F690-K692 PolarHBondContact O-N 3.2Å
693	G	38.3	Very low	44.1	Very low	50 Å²	50	83.7 Å²	83.7	52%	0.515	43%	0.428	S	S	.	.	S	Bend	trans	-174.8	164.4	-170.1	0	0	0	0	0	113.7	P691 Q695	P691-G693 PolarHBondContact O-N 3.04Å; G693-Q695 VanDerWaalsContact C-N 3.32Å; G693-Q695 PolarHBondContact O-N 2.88Å; G693-Q695 VanDerWaalsContact O-N 3.09Å
694	E	46.3	Very low	46.3	Very low	182 Å²	182	74 Å²	74	85%	0.85	39%	0.392	S	S	*	.			trans	-86.9	29.8	-156.1	-55.1	171	141.6	0	0	115.2	K242	K242-E694 PolarHBondContact NZ-O 3.39Å
695	Q	50.4	Low	48.3	Very low	109 Å²	109	71.4 Å²	71.4	51%	0.509	37%	0.374	S	S	.	.			trans	-71.3	161.3	179.9	-89.9	-179.8	-30	0	0	113.4	K242 G693 F700	K242-Q695 PolarHBondContact NZ-O 2.91Å; K242-Q695 VanDerWaalsContact NZ-O 3.16Å; G693-Q695 VanDerWaalsContact C-N 3.32Å; G693-Q695 PolarHBondContact O-N 2.88Å; G693-Q695 VanDerWaalsContact O-N 3.09Å; Q695-F700 HydrophobicContact CB-CE2 4.32Å
696	E	51.6	Low	50.2	Low	32 Å²	32	68.3 Å²	68.3	15%	0.15	36%	0.36	C	S	.	.			trans	-86.6	150.7	176.7	-61.2	-60.6	155.2	0	0	111.6	K242 W698 A699	K242-E696 WeakPolarHBondContact CG-OE1 3.32Å; K242-E696 IonicContact NZ-OE1 2.68Å; K242-E696 PolarHBondContact NZ-OE1 3.32Å; K242-E696 IonicContact NZ-OE2 3.18Å; K242-E696 PolarHBondContact NZ-OE2 2.74Å; E696-W698 VanDerWaalsContact C-N 3.25Å; E696-W698 HydrophobicContact CB-CD2 3.75Å; E696-W698 HydrophobicContact CB-CE3 3.92Å; E696-W698 HydrophobicContact CB-CG 4.48Å; E696-W698 HydrophobicContact CB-CH2 3.73Å; E696-W698 HydrophobicContact CB-CZ2 3.54Å; E696-W698 HydrophobicContact CB-CZ3 3.9Å; E696-W698 HydrophobicContact CG-CH2 3.62Å; E696-W698 HydrophobicContact CG-CZ2 3.5Å; E696-W698 HydrophobicContact CG-CZ3 4.24Å; E696-W698 PolarHBondContact O-N 3.17Å; E696-W698 VanDerWaalsContact O-N 3.15Å; E696-A699 VanDerWaalsContact O-CB 3.29Å; E696-A699 WeakPolarHBondContact O-CB 3.34Å; E696-A699 PolarHBondContact O-N 3.43Å
697	S	36.6	Very low	52.5	Low	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-56.2	-35.1	-173.2	61.9	0	0	0	0	114	Y275 R279 Y570 A699 F700	Y275-S697 WeakPolarHBondContact CE2-OG 3.44Å; Y275-S697 VanDerWaalsContact CZ-OG 3.29Å; Y275-S697 PolarHBondContact OH-OG 3.08Å; R279-S697 PolarHBondContact NH1-O 3.1Å; Y570-S697 PolarHBondContact OH-N 2.71Å; S697-A699 PolarHBondContact O-N 3.34Å; S697-F700 PolarHBondContact O-N 3.05Å
698	W	53.8	Low	54.7	Low	99 Å²	99	61.2 Å²	61.2	38%	0.375	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-72.6	-6.1	-179.3	61	79.9	0	0	0	114.9	V243 V244 Y275 E696 F700	V243-W698 HydrophobicContact CB-CH2 4.35Å; V243-W698 HydrophobicContact CB-CZ3 4.26Å; V243-W698 HydrophobicContact CG2-CH2 4.41Å; V244-W698 HydrophobicContact CG2-CZ3 4.49Å; Y275-W698 HydrophobicContact CD2-CB 3.71Å; Y275-W698 HydrophobicContact CE2-CB 4.33Å; Y275-W698 HydrophobicContact CG-CB 4.4Å; E696-W698 VanDerWaalsContact C-N 3.25Å; E696-W698 HydrophobicContact CB-CD2 3.75Å; E696-W698 HydrophobicContact CB-CE3 3.92Å; E696-W698 HydrophobicContact CB-CG 4.48Å; E696-W698 HydrophobicContact CB-CH2 3.73Å; E696-W698 HydrophobicContact CB-CZ2 3.54Å; E696-W698 HydrophobicContact CB-CZ3 3.9Å; E696-W698 HydrophobicContact CG-CH2 3.62Å; E696-W698 HydrophobicContact CG-CZ2 3.5Å; E696-W698 HydrophobicContact CG-CZ3 4.24Å; E696-W698 PolarHBondContact O-N 3.17Å; E696-W698 VanDerWaalsContact O-N 3.15Å; W698-F700 PolarHBondContact O-N 3.23Å
699	A	39.7	Very low	56.6	Low	53 Å²	53	61.4 Å²	61.4	44%	0.438	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-65.1	-29.6	171.5	0	0	0	0	0	112.1	E696 S697	E696-A699 VanDerWaalsContact O-CB 3.29Å; E696-A699 WeakPolarHBondContact O-CB 3.34Å; E696-A699 PolarHBondContact O-N 3.43Å; S697-A699 PolarHBondContact O-N 3.34Å
700	F	53.5	Low	58.3	Low	29 Å²	29	59.4 Å²	59.4	13%	0.127	29%	0.29	C	S	.	.	S	Bend	trans	-104.8	72.5	-175.2	-57.5	-74	0	0	0	111.4	S687 F690 P691 Q695 S697 W698	S687-F700 WeakPolarHBondContact O-CE1 3.45Å; F690-F700 HydrophobicContact CD1-CD2 4.47Å; F690-F700 HydrophobicContact CE1-CD2 4.45Å; P691-F700 HydrophobicContact CG-CE1 4.45Å; P691-F700 HydrophobicContact CG-CZ 3.76Å; Q695-F700 HydrophobicContact CB-CE2 4.32Å; S697-F700 PolarHBondContact O-N 3.05Å; W698-F700 PolarHBondContact O-N 3.23Å
701	R	60.1	Low	60.2	Low	161 Å²	161	57.3 Å²	57.3	61%	0.608	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	145.2	-177.3	-71.1	-171.5	173.3	-161	-7.2	113.7	D276 R710	D276-R701 VanDerWaalsContact OD2-CA 3.23Å; D276-R701 WeakPolarHBondContact OD2-CA 3.2Å; R701-R710 PolarHBondContact O-NH1 3.08Å
702	G	66.4	Low	61.9	Low	7 Å²	7	55.3 Å²	55.3	7%	0.072	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	1.1	172.1	0	0	0	0	0	116	D276 G706	D276-G702 PolarHBondContact OD2-N 2.89Å; G702-G706 PolarHBondContact O-N 2.99Å
703	G	79.9	Confident	63.3	Low	10 Å²	10	45 Å²	45	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	54.2	-150.7	177.8	0	0	0	0	0	114.6	A705 G706 E707	G703-A705 VanDerWaalsContact C-N 3.33Å; G703-A705 PolarHBondContact O-N 2.72Å; G703-G706 PolarHBondContact O-N 3.21Å; G703-E707 PolarHBondContact O-N 3.33Å
704	L	80.3	Confident	64.5	Low	8 Å²	8	43.4 Å²	43.4	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-40.1	-179.9	-174.2	68.3	0	0	0	112.6	L565 A576 I648 G706 E707 F708	L565-L704 HydrophobicContact CB-CD2 4.28Å; L565-L704 HydrophobicContact CD2-CD2 3.5Å; L565-L704 HydrophobicContact CG-CD2 4.5Å; A576-L704 HydrophobicContact CB-CD1 4.13Å; A576-L704 HydrophobicContact CB-CD2 3.59Å; I648-L704 HydrophobicContact CD1-CD2 4.2Å; I648-L704 HydrophobicContact CD1-CG 4.35Å; L704-G706 PolarHBondContact O-N 2.96Å; L704-E707 PolarHBondContact O-N 2.73Å; L704-E707 VanDerWaalsContact O-N 3.16Å; L704-F708 HydrophobicContact CD1-CD2 4.14Å; L704-F708 HydrophobicContact CD1-CE2 3.74Å; L704-F708 HydrophobicContact CD2-CE2 4.36Å; L704-F708 HydrophobicContact CG-CD2 4.01Å; L704-F708 HydrophobicContact CG-CE2 3.86Å; L704-F708 WeakPolarHBondContact O-CD2 3.36Å; L704-F708 PolarHBondContact O-N 2.84Å
705	A	78.9	Confident	64.9	Low	7 Å²	7	39.2 Å²	39.2	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-54.5	-50.7	173.6	0	0	0	0	0	111.4	I648 I651 G703 E707 F708 Q709	I648-A705 HydrophobicContact CD1-CB 4.34Å; I651-A705 HydrophobicContact CD1-CB 3.62Å; G703-A705 VanDerWaalsContact C-N 3.33Å; G703-A705 PolarHBondContact O-N 2.72Å; A705-E707 VanDerWaalsContact C-N 3.33Å; A705-E707 PolarHBondContact O-N 3.01Å; A705-F708 PolarHBondContact O-N 2.84Å; A705-Q709 WeakPolarHBondContact O-CB 3.43Å; A705-Q709 PolarHBondContact O-N 3.35Å
706	G	76.9	Confident	64.9	Low	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-30.6	176.2	0	0	0	0	0	113.9	G702 G703 L704 R710	G702-G706 PolarHBondContact O-N 2.99Å; G703-G706 PolarHBondContact O-N 3.21Å; L704-G706 PolarHBondContact O-N 2.96Å; G706-R710 VanDerWaalsContact C-CZ 3.45Å; G706-R710 WeakPolarHBondContact O-CB 3.13Å; G706-R710 VanDerWaalsContact O-CG 3.23Å; G706-R710 WeakPolarHBondContact O-CG 3.44Å; G706-R710 VanDerWaalsContact O-CZ 3.27Å; G706-R710 PolarHBondContact O-N 3.12Å; G706-R710 PolarHBondContact O-NE 3.1Å; G706-R710 PolarHBondContact O-NH1 2.98Å
707	E	79	Confident	65.1	Low	16 Å²	16	35.8 Å²	35.8	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-48.6	173	-75.2	179.8	-144.2	0	0	112	H572 L580 G703 L704 A705 Q709 R710 L711	H572-E707 IonicContact CD2-OE1 2.72Å; H572-E707 IonicContact CD2-OE2 3.97Å; H572-E707 IonicContact CE1-OE1 3.56Å; H572-E707 PolarHBondContact CE1-OE1 3.07Å; H572-E707 VanDerWaalsContact NE2-CD 3.28Å; H572-E707 IonicContact NE2-OE1 3.39Å; H572-E707 PolarHBondContact NE2-OE1 3.37Å; H572-E707 IonicContact NE2-OE2 2.71Å; H572-E707 PolarHBondContact NE2-OE2 2.86Å; L580-E707 HydrophobicContact CD1-CB 4.25Å; L580-E707 VanDerWaalsContact CD2-OE2 3.24Å; L580-E707 WeakPolarHBondContact CD2-OE2 3.21Å; G703-E707 PolarHBondContact O-N 3.33Å; L704-E707 PolarHBondContact O-N 2.73Å; L704-E707 VanDerWaalsContact O-N 3.16Å; A705-E707 VanDerWaalsContact C-N 3.33Å; A705-E707 PolarHBondContact O-N 3.01Å; E707-Q709 VanDerWaalsContact C-N 3.3Å; E707-Q709 PolarHBondContact O-N 2.57Å; E707-R710 VanDerWaalsContact CG-NH2 3.26Å; E707-R710 PolarHBondContact O-N 3.2Å; E707-R710 VanDerWaalsContact O-N 3.15Å; E707-L711 VanDerWaalsContact O-CG 3.28Å; E707-L711 WeakPolarHBondContact O-CG 3.35Å; E707-L711 PolarHBondContact O-N 3.37Å; E707-L711 VanDerWaalsContact O-N 3.13Å
708	F	79.3	Confident	66	Low	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-38.9	174.8	-80.7	-74.2	0	0	0	112.4	M579 L580 F583 I651 M652 V655 L704 A705 L711 L712	M579-F708 HydrophobicContact CB-CZ 4Å; L580-F708 HydrophobicContact CB-CZ 4.37Å; L580-F708 HydrophobicContact CD1-CE1 4.34Å; L580-F708 HydrophobicContact CD1-CE2 4.36Å; L580-F708 HydrophobicContact CD1-CZ 4.21Å; F583-F708 HydrophobicContact CB-CE1 3.94Å; F583-F708 AromaticContact CD1-CD1 3.67Å; F583-F708 HydrophobicContact CD1-CD1 3.67Å; F583-F708 AromaticContact CD1-CE1 3.79Å; F583-F708 HydrophobicContact CD1-CE1 3.79Å; F583-F708 HydrophobicContact CE1-CD1 4.18Å; F583-F708 HydrophobicContact CG-CD1 4.39Å; F583-F708 HydrophobicContact CG-CE1 4.13Å; I651-F708 HydrophobicContact CG2-CB 3.67Å; M652-F708 HydrophobicContact CE-CB 4.04Å; M652-F708 HydrophobicContact CE-CD1 3.77Å; M652-F708 HydrophobicContact CE-CD2 3.29Å; M652-F708 HydrophobicContact CE-CE1 3.98Å; M652-F708 HydrophobicContact CE-CE2 3.52Å; M652-F708 HydrophobicContact CE-CG 3.42Å; M652-F708 VanDerWaalsContact CE-CG 3.42Å; M652-F708 HydrophobicContact CE-CZ 3.86Å; M652-F708 HydrophobicContact SD-CE2 4.37Å; M652-F708 HydrophobicContact SD-CZ 4.45Å; V655-F708 HydrophobicContact CG1-CD1 4.15Å; V655-F708 HydrophobicContact CG1-CE1 4.41Å; V655-F708 HydrophobicContact CG2-CB 4.16Å; V655-F708 HydrophobicContact CG2-CD1 4.1Å; V655-F708 HydrophobicContact CG2-CG 4.46Å; L704-F708 HydrophobicContact CD1-CD2 4.14Å; L704-F708 HydrophobicContact CD1-CE2 3.74Å; L704-F708 HydrophobicContact CD2-CE2 4.36Å; L704-F708 HydrophobicContact CG-CD2 4.01Å; L704-F708 HydrophobicContact CG-CE2 3.86Å; L704-F708 WeakPolarHBondContact O-CD2 3.36Å; L704-F708 PolarHBondContact O-N 2.84Å; A705-F708 PolarHBondContact O-N 2.84Å; F708-L711 PolarHBondContact O-N 2.88Å; F708-L711 VanDerWaalsContact O-N 3.16Å; F708-L712 PolarHBondContact O-N 3.35Å
709	Q	74.8	Confident	66.1	Low	34 Å²	34	38.9 Å²	38.9	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-48.3	171.7	-172.6	-164.6	-32.9	0	0	111.7	A705 E707 L711 L712 N718 F721	A705-Q709 WeakPolarHBondContact O-CB 3.43Å; A705-Q709 PolarHBondContact O-N 3.35Å; E707-Q709 VanDerWaalsContact C-N 3.3Å; E707-Q709 PolarHBondContact O-N 2.57Å; Q709-L711 PolarHBondContact O-N 3.39Å; Q709-L712 PolarHBondContact O-N 3.13Å; Q709-N718 PolarHBondContact NE2-OD1 3.46Å; Q709-N718 VanDerWaalsContact NE2-OD1 3.1Å; Q709-F721 HydrophobicContact CG-CB 4.2Å; Q709-F721 HydrophobicContact CG-CD1 4.1Å; Q709-F721 HydrophobicContact CG-CD2 3.46Å; Q709-F721 VanDerWaalsContact CG-CD2 3.46Å; Q709-F721 HydrophobicContact CG-CE1 4.35Å; Q709-F721 HydrophobicContact CG-CE2 3.71Å; Q709-F721 HydrophobicContact CG-CG 3.64Å; Q709-F721 HydrophobicContact CG-CZ 4.14Å
710	R	76.6	Confident	67	Low	117 Å²	117	36.9 Å²	36.9	44%	0.442	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-12.4	177.4	-75.5	-178.6	-67.1	-96.8	9.9	114.3	R701 G706 E707	R701-R710 PolarHBondContact O-NH1 3.08Å; G706-R710 VanDerWaalsContact C-CZ 3.45Å; G706-R710 WeakPolarHBondContact O-CB 3.13Å; G706-R710 VanDerWaalsContact O-CG 3.23Å; G706-R710 WeakPolarHBondContact O-CG 3.44Å; G706-R710 VanDerWaalsContact O-CZ 3.27Å; G706-R710 PolarHBondContact O-N 3.12Å; G706-R710 PolarHBondContact O-NE 3.1Å; G706-R710 PolarHBondContact O-NH1 2.98Å; E707-R710 VanDerWaalsContact CG-NH2 3.26Å; E707-R710 PolarHBondContact O-N 3.2Å; E707-R710 VanDerWaalsContact O-N 3.15Å
711	L	72.4	Confident	67.1	Low	13 Å²	13	36.4 Å²	36.4	7%	0.068	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-6.9	177.9	-66.9	172.8	0	0	0	113.6	L580 F583 N584 R587 W681 E707 F708 Q709	L580-L711 HydrophobicContact CD1-CD1 3.53Å; F583-L711 HydrophobicContact CD1-CB 4.21Å; F583-L711 HydrophobicContact CD1-CD1 4.09Å; F583-L711 HydrophobicContact CE1-CB 3.7Å; F583-L711 HydrophobicContact CE1-CD1 4.42Å; N584-L711 WeakPolarHBondContact ND2-CD1 3.35Å; R587-L711 VanDerWaalsContact NH1-CD2 3.32Å; R587-L711 PolarHBondContact NH1-O 2.75Å; W681-L711 WeakPolarHBondContact CZ2-O 3.48Å; E707-L711 VanDerWaalsContact O-CG 3.28Å; E707-L711 WeakPolarHBondContact O-CG 3.35Å; E707-L711 PolarHBondContact O-N 3.37Å; E707-L711 VanDerWaalsContact O-N 3.13Å; F708-L711 PolarHBondContact O-N 2.88Å; F708-L711 VanDerWaalsContact O-N 3.16Å; Q709-L711 PolarHBondContact O-N 3.39Å
712	L	68.6	Low	66.8	Low	9 Å²	9	36.4 Å²	36.4	5%	0.047	19%	0.194	C	C	.	.	S	Bend	trans	-90.9	148.4	176	-71.6	168.3	0	0	0	112.2	F583 M654 V655 F658 F708 Q709 I714	F583-L712 HydrophobicContact CZ-CD2 4.14Å; M654-L712 HydrophobicContact CE-CD1 3.37Å; M654-L712 HydrophobicContact CG-CD1 4.05Å; M654-L712 HydrophobicContact SD-CD1 3.68Å; V655-L712 HydrophobicContact CG2-CD1 4.09Å; V655-L712 HydrophobicContact CG2-CD2 4.43Å; V655-L712 HydrophobicContact CG2-CG 4.42Å; F658-L712 HydrophobicContact CB-CD2 4.11Å; F658-L712 HydrophobicContact CD1-CD2 3.78Å; F658-L712 HydrophobicContact CE1-CD2 4.33Å; F658-L712 HydrophobicContact CG-CD2 3.89Å; F708-L712 PolarHBondContact O-N 3.35Å; Q709-L712 PolarHBondContact O-N 3.13Å; L712-I714 VanDerWaalsContact C-N 3.31Å; L712-I714 PolarHBondContact O-N 3.06Å
713	P	65	Low	66.4	Low	6 Å²	6	39.3 Å²	39.3	4%	0.039	21%	0.206	C	C	.	.	S	Bend	trans	-81.2	68.3	-177.5	30	-31.9	0	0	0	112.5	F658 W681 S887 K890 A891	F658-P713 HydrophobicContact CE2-CG 3.92Å; F658-P713 HydrophobicContact CZ-CG 3.81Å; W681-P713 HydrophobicContact CH2-CB 3.55Å; W681-P713 HydrophobicContact CH2-CG 4.28Å; W681-P713 HydrophobicContact CZ3-CB 3.71Å; P713-S887 VanDerWaalsContact CG-O 3.32Å; P713-S887 WeakPolarHBondContact CG-O 3.19Å; P713-K890 HydrophobicContact CB-CB 4.31Å; P713-K890 HydrophobicContact CB-CG 4.09Å; P713-K890 VanDerWaalsContact O-CB 3.24Å; P713-K890 WeakPolarHBondContact O-CB 3.48Å; P713-K890 VanDerWaalsContact O-CG 3.28Å; P713-K890 WeakPolarHBondContact O-CG 3.23Å; P713-A891 HydrophobicContact CG-CB 4.15Å
714	I	63.8	Low	65.3	Low	17 Å²	17	43.9 Å²	43.9	9%	0.087	23%	0.233	C	C	.	.			trans	-141.1	105.3	167.8	-21.9	-176.3	0	0	0	110.3	L712 A717 F721 G883 L886 S887 L937	L712-I714 VanDerWaalsContact C-N 3.31Å; L712-I714 PolarHBondContact O-N 3.06Å; I714-A717 HydrophobicContact CB-CB 3.95Å; I714-A717 HydrophobicContact CG2-CB 3.43Å; I714-A717 VanDerWaalsContact CG2-CB 3.43Å; I714-F721 HydrophobicContact CD1-CE2 4.42Å; I714-F721 HydrophobicContact CD1-CZ 3.74Å; I714-F721 HydrophobicContact CG1-CZ 4.39Å; I714-G883 WeakPolarHBondContact CD1-O 3.48Å; I714-L886 HydrophobicContact CD1-CB 4.39Å; I714-L886 HydrophobicContact CG2-CB 4.34Å; I714-S887 WeakPolarHBondContact CD1-OG 3.3Å; I714-S887 WeakPolarHBondContact CG1-OG 3.37Å; I714-L937 HydrophobicContact CG2-CD2 4.37Å
715	D	55.3	Low	64.2	Low	94 Å²	94	45.4 Å²	45.4	50%	0.503	24%	0.244	S	C	.	.	S	Bend	trans	-80.6	136.7	178.9	-72.1	-57.8	0	0	0	109.9	A717 K890 L937	D715-A717 PolarHBondContact O-N 3.33Å; D715-K890 IonicContact OD2-NZ 2.7Å; D715-K890 PolarHBondContact OD2-NZ 2.81Å; D715-L937 PolarHBondContact N-OXT 3.49Å
716	G	50.7	Low	63.5	Low	68 Å²	68	46.9 Å²	46.9	70%	0.701	25%	0.253	S	S	*	.	S	Bend	trans	71.9	-7.9	174.7	0	0	0	0	0	116.9	N718	G716-N718 PolarHBondContact O-N 3.1Å
717	A	55.7	Low	62.6	Low	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.286	C	S	.	.			trans	-76.4	36.2	-174.3	0	0	0	0	0	115.9	I714 D715 D719 L720 F721 R935	I714-A717 HydrophobicContact CB-CB 3.95Å; I714-A717 HydrophobicContact CG2-CB 3.43Å; I714-A717 VanDerWaalsContact CG2-CB 3.43Å; D715-A717 PolarHBondContact O-N 3.33Å; A717-D719 VanDerWaalsContact C-OD1 3.3Å; A717-D719 WeakPolarHBondContact CA-OD1 3.36Å; A717-D719 PolarHBondContact O-N 3.47Å; A717-D719 VanDerWaalsContact O-N 3.13Å; A717-L720 HydrophobicContact CB-CD1 4.15Å; A717-L720 HydrophobicContact CB-CG 4.39Å; A717-L720 PolarHBondContact O-N 2.96Å; A717-F721 HydrophobicContact CB-CE2 4.3Å; A717-F721 WeakPolarHBondContact O-CD2 3.43Å; A717-F721 WeakPolarHBondContact O-CE2 3.35Å; A717-R935 VanDerWaalsContact CB-NH2 3.25Å
718	N	56.1	Low	61.7	Low	106 Å²	106	56.6 Å²	56.6	57%	0.567	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26	-178.7	-70.9	-36.1	0	0	0	113.4	Q709 G716 L720 F721 Y722	Q709-N718 PolarHBondContact NE2-OD1 3.46Å; Q709-N718 VanDerWaalsContact NE2-OD1 3.1Å; G716-N718 PolarHBondContact O-N 3.1Å; N718-L720 VanDerWaalsContact C-N 3.29Å; N718-L720 PolarHBondContact O-N 2.86Å; N718-F721 CarbonylContact O-C 3.5Å; N718-F721 PolarHBondContact O-N 2.69Å; N718-F721 VanDerWaalsContact O-N 3.17Å; N718-Y722 WeakPolarHBondContact O-CB 3.42Å; N718-Y722 PolarHBondContact O-N 2.72Å; N718-Y722 VanDerWaalsContact O-N 3.08Å
719	D	54.8	Low	61.1	Low	58 Å²	58	57.8 Å²	57.8	31%	0.31	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.2	174.7	67.8	-62.3	0	0	0	113.3	A717 F721 K879 R935	A717-D719 VanDerWaalsContact C-OD1 3.3Å; A717-D719 WeakPolarHBondContact CA-OD1 3.36Å; A717-D719 PolarHBondContact O-N 3.47Å; A717-D719 VanDerWaalsContact O-N 3.13Å; D719-F721 VanDerWaalsContact C-N 3.3Å; D719-K879 PolarHBondContact O-NZ 2.99Å; D719-R935 IonicContact OD1-CZ 2.82Å; D719-R935 IonicContact OD1-NH1 2.72Å; D719-R935 IonicContact OD1-NH2 3.44Å; D719-R935 PolarHBondContact OD1-NH2 2.91Å; D719-R935 IonicContact OD2-CZ 3.63Å; D719-R935 IonicContact OD2-NH1 3.4Å; D719-R935 PolarHBondContact OD2-NH1 2.61Å; D719-R935 IonicContact OD2-NH2 2.74Å; D719-R935 PolarHBondContact OD2-NH2 3.05Å
720	L	58.1	Low	60.8	Low	11 Å²	11	57.9 Å²	57.9	6%	0.058	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.4	173.9	-63	-177.4	0	0	0	112.1	A717 N718 K879 M882 L886	A717-L720 HydrophobicContact CB-CD1 4.15Å; A717-L720 HydrophobicContact CB-CG 4.39Å; A717-L720 PolarHBondContact O-N 2.96Å; N718-L720 VanDerWaalsContact C-N 3.29Å; N718-L720 PolarHBondContact O-N 2.86Å; L720-K879 HydrophobicContact CD2-CB 4.25Å; L720-K879 HydrophobicContact CD2-CG 4.07Å; L720-M882 HydrophobicContact CD1-CG 4.29Å; L720-M882 HydrophobicContact CD2-CG 4.42Å; L720-L886 HydrophobicContact CD1-CD1 3.75Å
721	F	56.9	Low	60.2	Low	19 Å²	19	55 Å²	55	8%	0.083	32%	0.321	C	S	.	.	S	Bend	trans	-104.3	6.4	-176.5	-49	-61.4	0	0	0	113.7	K278 M654 Q709 I714 A717 N718 D719	K278-F721 PolarHBondContact NZ-O 2.8Å; M654-F721 HydrophobicContact CE-CD1 4.12Å; M654-F721 HydrophobicContact CE-CE1 3.55Å; M654-F721 HydrophobicContact SD-CE1 3.71Å; M654-F721 HydrophobicContact SD-CZ 4.46Å; Q709-F721 HydrophobicContact CG-CB 4.2Å; Q709-F721 HydrophobicContact CG-CD1 4.1Å; Q709-F721 HydrophobicContact CG-CD2 3.46Å; Q709-F721 VanDerWaalsContact CG-CD2 3.46Å; Q709-F721 HydrophobicContact CG-CE1 4.35Å; Q709-F721 HydrophobicContact CG-CE2 3.71Å; Q709-F721 HydrophobicContact CG-CG 3.64Å; Q709-F721 HydrophobicContact CG-CZ 4.14Å; I714-F721 HydrophobicContact CD1-CE2 4.42Å; I714-F721 HydrophobicContact CD1-CZ 3.74Å; I714-F721 HydrophobicContact CG1-CZ 4.39Å; A717-F721 HydrophobicContact CB-CE2 4.3Å; A717-F721 WeakPolarHBondContact O-CD2 3.43Å; A717-F721 WeakPolarHBondContact O-CE2 3.35Å; N718-F721 CarbonylContact O-C 3.5Å; N718-F721 PolarHBondContact O-N 2.69Å; N718-F721 VanDerWaalsContact O-N 3.17Å; D719-F721 VanDerWaalsContact C-N 3.3Å
722	Y	54.3	Low	60.3	Low	161 Å²	161	57.6 Å²	57.6	63%	0.631	33%	0.332	S	S	*	.			trans	-120.2	105	174.7	-158.6	-89.6	0	0	0	110.5	N718 K879	N718-Y722 WeakPolarHBondContact O-CB 3.42Å; N718-Y722 PolarHBondContact O-N 2.72Å; N718-Y722 VanDerWaalsContact O-N 3.08Å; Y722-K879 PolarHBondContact O-NZ 3.13Å
723	Q	57.7	Low	60.7	Low	69 Å²	69	59.5 Å²	59.5	32%	0.322	34%	0.341	S	S	.	.			trans	-142.1	148.2	162.1	-77.7	-164.9	-48.9	0	0	109.6	S876 K879	Q723-S876 VanDerWaalsContact OE1-CB 3.28Å; Q723-K879 HydrophobicContact CG-CD 3.8Å
724	P	56.5	Low	61.6	Low	105 Å²	105	59.8 Å²	59.8	68%	0.682	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-62.7	145.9	160.3	30.5	-34.1	0	0	0	109.2
725	P	57.5	Low	62.6	Low	40 Å²	40	60.9 Å²	60.9	26%	0.26	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.3	158	169.1	30.4	-37.6	0	0	0	110.4	Y642 P643 W646 S727	Y642-P725 HydrophobicContact CD1-CB 3.82Å; Y642-P725 HydrophobicContact CD1-CG 4.42Å; Y642-P725 HydrophobicContact CE1-CB 3.85Å; P643-P725 HydrophobicContact CB-CG 4.01Å; P643-P725 HydrophobicContact CG-CG 4.11Å; W646-P725 HydrophobicContact CB-CB 4.41Å; W646-P725 HydrophobicContact CG-CB 4.19Å; P725-S727 PolarHBondContact O-N 3.02Å
726	P	63	Low	64.2	Low	38 Å²	38	56.7 Å²	56.7	25%	0.247	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-57.8	141.5	174.8	23.7	-32.8	0	0	0	111	Y642 W646 L728 T730	Y642-P726 HydrophobicContact CE1-CG 3.95Å; W646-P726 HydrophobicContact CH2-CG 3.98Å; W646-P726 HydrophobicContact CZ2-CG 3.94Å; W646-P726 HydrophobicContact CZ3-CG 4.34Å; P726-L728 PolarHBondContact O-N 3.23Å; P726-L728 VanDerWaalsContact O-N 3.09Å; P726-T730 HydrophobicContact CG-CG2 4.45Å
727	S	58.1	Low	66.1	Low	103 Å²	103	54.7 Å²	54.7	72%	0.72	30%	0.298	S	S	*	.	S	Bend	trans	-64.2	-17.1	-171.9	53.7	0	0	0	0	114.7	R389 P725	R389-S727 PolarHBondContact NH1-O 3.24Å; P725-S727 PolarHBondContact O-N 3.02Å
728	L	60.8	Low	67.7	Low	119 Å²	119	54.7 Å²	54.7	62%	0.623	30%	0.298	S	S	*	.	S	Bend	trans	-125.2	135	168.6	-65.3	173.8	0	0	0	108.6	P726 T730	P726-L728 PolarHBondContact O-N 3.23Å; P726-L728 VanDerWaalsContact O-N 3.09Å; L728-T730 PolarHBondContact O-N 3.06Å
729	P	65.6	Low	69.4	Low	25 Å²	25	49.9 Å²	49.9	16%	0.162	27%	0.272	C	S	.	.			trans	-56.4	131.7	174.6	-29.6	36.6	0	0	0	112.8	L638 F639 Y642	L638-P729 HydrophobicContact CD2-CB 4.02Å; L638-P729 HydrophobicContact CD2-CG 4.01Å; L638-P729 HydrophobicContact CG-CG 4.31Å; F639-P729 HydrophobicContact CD1-CG 4.09Å; F639-P729 HydrophobicContact CE1-CG 3.84Å; Y642-P729 HydrophobicContact CD1-CG 4.46Å; Y642-P729 HydrophobicContact CD2-CB 4Å; Y642-P729 HydrophobicContact CD2-CG 4.11Å; Y642-P729 HydrophobicContact CE1-CB 4.48Å; Y642-P729 HydrophobicContact CE2-CB 3.63Å; Y642-P729 HydrophobicContact CE2-CG 4.19Å; Y642-P729 HydrophobicContact CG-CG 4.25Å; Y642-P729 WeakPolarHBondContact OH-CA 3.49Å
730	T	69.7	Low	71	Confident	36 Å²	36	51.9 Å²	51.9	22%	0.221	28%	0.276	C	S	.	.			trans	-109.6	127.6	177.9	57.5	0	0	0	0	110	Y642 W646 P726 L728	Y642-T730 PolarHBondContact OH-N 3.43Å; W646-T730 WeakPolarHBondContact CH2-OG1 3.43Å; W646-T730 WeakPolarHBondContact CZ3-OG1 3.32Å; P726-T730 HydrophobicContact CG-CG2 4.45Å; L728-T730 PolarHBondContact O-N 3.06Å
731	S	63.7	Low	72.4	Confident	57 Å²	57	56 Å²	56	40%	0.399	30%	0.303	S	S	.	.			trans	-92	-10.9	177.4	51.9	0	0	0	0	113.5	N631 I733	N631-S731 WeakPolarHBondContact OD1-CB 3.15Å; S731-I733 PolarHBondContact O-N 2.88Å
732	K	75.1	Confident	74	Confident	67 Å²	67	62.7 Å²	62.7	29%	0.291	33%	0.332	S	S	.	.			trans	-67.6	124	179.7	-176	163.3	176.6	-179.1	0	110.5	Y734 D793	K732-Y734 HydrophobicContact CB-CE2 4.5Å; K732-Y734 HydrophobicContact CD-CE1 4.35Å; K732-Y734 HydrophobicContact CD-CE2 4.47Å; K732-Y734 WeakPolarHBondContact CD-OH 3.06Å; K732-Y734 WeakPolarHBondContact CE-OH 3.18Å; K732-Y734 HydrophobicContact CG-CE1 4.44Å; K732-Y734 HydrophobicContact CG-CE2 4.15Å; K732-D793 WeakPolarHBondContact CE-OD2 3.35Å; K732-D793 IonicContact NZ-OD2 3.5Å; K732-D793 PolarHBondContact NZ-OD2 3.12Å
733	I	76.1	Confident	75.8	Confident	49 Å²	49	55.4 Å²	55.4	25%	0.251	30%	0.304	S	S	.	.			trans	-86.7	140.2	-178	-56.5	176.8	0	0	0	109.1	I623 T627 S731	I623-I733 HydrophobicContact CG2-CG2 4.5Å; T627-I733 HydrophobicContact CG2-CD1 4.01Å; T627-I733 WeakPolarHBondContact OG1-CD1 3.45Å; S731-I733 PolarHBondContact O-N 2.88Å
734	Y	83.7	Confident	77.4	Confident	12 Å²	12	55.7 Å²	55.7	5%	0.047	31%	0.306	C	S	.	.			trans	-129.4	121.7	173.4	-69.7	-67.9	0	0	0	108.6	K732 D793 V872 D874 V877	K732-Y734 HydrophobicContact CB-CE2 4.5Å; K732-Y734 HydrophobicContact CD-CE1 4.35Å; K732-Y734 HydrophobicContact CD-CE2 4.47Å; K732-Y734 WeakPolarHBondContact CD-OH 3.06Å; K732-Y734 WeakPolarHBondContact CE-OH 3.18Å; K732-Y734 HydrophobicContact CG-CE1 4.44Å; K732-Y734 HydrophobicContact CG-CE2 4.15Å; Y734-D793 HydrophobicContact CD1-CB 3.92Å; Y734-D793 HydrophobicContact CE1-CB 3.87Å; Y734-V872 HydrophobicContact CE1-CB 4.45Å; Y734-V872 HydrophobicContact CE1-CG1 4.02Å; Y734-V872 HydrophobicContact CE1-CG2 3.92Å; Y734-V872 HydrophobicContact CE2-CG1 4.32Å; Y734-D874 HydrophobicContact CD2-CB 4.47Å; Y734-D874 HydrophobicContact CE2-CB 4.09Å; Y734-V877 HydrophobicContact CD2-CG2 3.71Å; Y734-V877 HydrophobicContact CG-CG2 3.89Å
735	T	85.8	Confident	79.1	Confident	41 Å²	41	56.2 Å²	56.2	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.2	177.3	-63.3	0	0	0	0	109.5	L791 E792	T735-L791 WeakPolarHBondContact O-CA 3.3Å; T735-E792 HydrophobicContact CG2-CG 4.42Å; T735-E792 PolarHBondContact N-O 3.38Å; T735-E792 PolarHBondContact O-N 3.28Å
736	I	88.2	Confident	80.7	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.3	168.5	-62.3	160.5	0	0	0	107.3	S657 F789 L791 M881	S657-I736 WeakPolarHBondContact OG-CB 3.48Å; S657-I736 PolarHBondContact OG-O 2.96Å; I736-F789 HydrophobicContact CG2-CB 4.4Å; I736-F789 HydrophobicContact CG2-CD1 4.22Å; I736-L791 HydrophobicContact CG1-CD1 3.75Å; I736-M881 HydrophobicContact CD1-CB 3.95Å; I736-M881 HydrophobicContact CG1-CB 4.33Å; I736-M881 HydrophobicContact CG2-CG 4.35Å
737	R	90.8	Very high	82.1	Confident	26 Å²	26	54 Å²	54	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.1	173.5	60.5	165.7	174.9	82.1	0.5	111.6	D743 F789 V790 E792	R737-D743 IonicContact CZ-OD1 2.85Å; R737-D743 IonicContact CZ-OD2 2.72Å; R737-D743 IonicContact NH1-OD1 3.01Å; R737-D743 PolarHBondContact NH1-OD1 3.15Å; R737-D743 IonicContact NH1-OD2 3.34Å; R737-D743 PolarHBondContact NH1-OD2 3.15Å; R737-D743 IonicContact NH2-OD1 3.46Å; R737-D743 PolarHBondContact NH2-OD1 3.37Å; R737-D743 IonicContact NH2-OD2 3.47Å; R737-F789 CarbonylContact O-C 3.56Å; R737-F789 VanDerWaalsContact O-CA 3.3Å; R737-F789 WeakPolarHBondContact O-CA 3.25Å; R737-V790 HydrophobicContact CG-CG2 3.87Å; R737-V790 VanDerWaalsContact CZ-CG2 3.46Å; R737-V790 PolarHBondContact N-O 2.9Å; R737-V790 PolarHBondContact O-N 3.05Å; R737-E792 WeakPolarHBondContact CD-OE1 3.5Å; R737-E792 IonicContact CZ-OE2 2.96Å; R737-E792 IonicContact NE-OE1 2.72Å; R737-E792 PolarHBondContact NE-OE1 3.39Å; R737-E792 IonicContact NE-OE2 2.68Å; R737-E792 PolarHBondContact NE-OE2 2.85Å; R737-E792 IonicContact NH2-OE2 2.63Å; R737-E792 PolarHBondContact NH2-OE2 3Å
738	P	89.3	Confident	83.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	146.9	168.7	-23.7	34.3	0	0	0	112.6	L660 W661 Y740 F789	L660-P738 HydrophobicContact CB-CG 3.96Å; W661-P738 HydrophobicContact CB-CG 4.16Å; P738-Y740 WeakPolarHBondContact O-CD2 3.39Å; P738-Y740 WeakPolarHBondContact O-CE2 3.35Å; P738-F789 HydrophobicContact CG-CE1 4.46Å
739	Y	91.4	Very high	85.1	Confident	6 Å²	6	50 Å²	50	2%	0.024	26%	0.26	C	S	.	.			trans	-70.2	142.9	172	164.9	-96.4	0	0	0	111.5	R665 D743 V747 L781 G788 V790	R665-Y739 PolarHBondContact NH2-O 3.03Å; Y739-D743 HydrophobicContact CD2-CB 3.83Å; Y739-D743 HydrophobicContact CE2-CB 3.86Å; Y739-V747 HydrophobicContact CD2-CG2 4.36Å; Y739-V747 HydrophobicContact CE2-CG2 4.38Å; Y739-L781 HydrophobicContact CD1-CD2 4.16Å; Y739-L781 HydrophobicContact CD2-CD2 3.93Å; Y739-L781 HydrophobicContact CE1-CD2 3.8Å; Y739-L781 HydrophobicContact CE2-CD2 3.55Å; Y739-L781 HydrophobicContact CG-CD2 4.23Å; Y739-L781 VanDerWaalsContact CZ-CD2 3.48Å; Y739-G788 WeakPolarHBondContact CB-O 3.22Å; Y739-G788 PolarHBondContact N-O 3.35Å; Y739-V790 HydrophobicContact CD2-CG1 4.03Å
740	Y	88.9	Confident	86.2	Confident	99 Å²	99	49 Å²	49	39%	0.388	25%	0.253	S	S	.	.			trans	-126.6	153.9	168.5	-58.9	-83	0	0	0	110.4	P738 K742 D743	P738-Y740 WeakPolarHBondContact O-CD2 3.39Å; P738-Y740 WeakPolarHBondContact O-CE2 3.35Å; Y740-K742 PolarHBondContact O-N 3.46Å; Y740-D743 PolarHBondContact N-OD2 2.81Å; Y740-D743 VanDerWaalsContact O-CB 3.29Å; Y740-D743 WeakPolarHBondContact O-CB 3.46Å; Y740-D743 PolarHBondContact O-N 2.71Å
741	P	87.6	Confident	87.1	Confident	98 Å²	98	47.5 Å²	47.5	64%	0.636	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-51.8	-32	-178.9	-30.5	36.8	0	0	0	115.6	D743 E744	P741-D743 PolarHBondContact O-N 3.3Å; P741-D743 VanDerWaalsContact O-N 3.12Å; P741-E744 VanDerWaalsContact O-CB 3.27Å; P741-E744 WeakPolarHBondContact O-CB 3.35Å; P741-E744 PolarHBondContact O-N 3.49Å
742	K	90.4	Very high	88.2	Confident	160 Å²	160	47.6 Å²	47.6	70%	0.696	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-59.3	-19.5	174.3	60.6	158	-168.1	169.8	0	114.9	Y740	Y740-K742 PolarHBondContact O-N 3.46Å
743	D	91.4	Very high	88.8	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.043	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-87.8	-9.3	-176.7	-54.1	-46.2	0	0	0	112	R737 Y739 Y740 P741 T745 A746 V747 V790 I797	R737-D743 IonicContact CZ-OD1 2.85Å; R737-D743 IonicContact CZ-OD2 2.72Å; R737-D743 IonicContact NH1-OD1 3.01Å; R737-D743 PolarHBondContact NH1-OD1 3.15Å; R737-D743 IonicContact NH1-OD2 3.34Å; R737-D743 PolarHBondContact NH1-OD2 3.15Å; R737-D743 IonicContact NH2-OD1 3.46Å; R737-D743 PolarHBondContact NH2-OD1 3.37Å; R737-D743 IonicContact NH2-OD2 3.47Å; Y739-D743 HydrophobicContact CD2-CB 3.83Å; Y739-D743 HydrophobicContact CE2-CB 3.86Å; Y740-D743 PolarHBondContact N-OD2 2.81Å; Y740-D743 VanDerWaalsContact O-CB 3.29Å; Y740-D743 WeakPolarHBondContact O-CB 3.46Å; Y740-D743 PolarHBondContact O-N 2.71Å; P741-D743 PolarHBondContact O-N 3.3Å; P741-D743 VanDerWaalsContact O-N 3.12Å; D743-T745 PolarHBondContact O-N 2.8Å; D743-A746 PolarHBondContact O-N 2.86Å; D743-A746 VanDerWaalsContact O-N 3.08Å; D743-V747 PolarHBondContact O-N 2.9Å; D743-V790 HydrophobicContact CB-CG1 4.35Å; D743-I797 HydrophobicContact CB-CD1 3.59Å; D743-I797 WeakPolarHBondContact OD1-CD1 3.39Å
744	E	92.3	Very high	89.2	Confident	75 Å²	75	46.1 Å²	46.1	35%	0.35	23%	0.23	S	C	.	.	H	α-helix	trans	-52.6	-49.7	-172.5	-173.9	178.4	115.7	0	0	113.5	P741 A746 V747 Y748	P741-E744 VanDerWaalsContact O-CB 3.27Å; P741-E744 WeakPolarHBondContact O-CB 3.35Å; P741-E744 PolarHBondContact O-N 3.49Å; E744-A746 VanDerWaalsContact C-N 3.25Å; E744-A746 PolarHBondContact O-N 2.8Å; E744-V747 PolarHBondContact O-N 3.3Å; E744-V747 VanDerWaalsContact O-N 3.12Å; E744-Y748 HydrophobicContact CG-CD1 4.08Å; E744-Y748 HydrophobicContact CG-CE1 3.88Å; E744-Y748 WeakPolarHBondContact O-CD1 3.22Å; E744-Y748 PolarHBondContact O-N 2.88Å
745	T	91.4	Very high	89.1	Confident	115 Å²	115	47 Å²	47	71%	0.706	23%	0.234	S	C	*	.	H	α-helix	trans	-60.7	-33.6	-179.6	-44.4	0	0	0	0	112.6	D743 K749	D743-T745 PolarHBondContact O-N 2.8Å; T745-K749 WeakPolarHBondContact O-CB 3.43Å; T745-K749 PolarHBondContact O-N 3.44Å
746	A	91.6	Very high	88.6	Confident	33 Å²	33	47.3 Å²	47.3	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-76.2	-38.4	176.8	0	0	0	0	0	111.7	D743 E744 Y748 K749 I750 I797	D743-A746 PolarHBondContact O-N 2.86Å; D743-A746 VanDerWaalsContact O-N 3.08Å; E744-A746 VanDerWaalsContact C-N 3.25Å; E744-A746 PolarHBondContact O-N 2.8Å; A746-Y748 VanDerWaalsContact C-N 3.35Å; A746-K749 PolarHBondContact O-N 2.85Å; A746-I750 WeakPolarHBondContact O-CG1 3.35Å; A746-I750 PolarHBondContact O-N 2.73Å; A746-I797 HydrophobicContact CB-CB 4.05Å; A746-I797 HydrophobicContact CB-CD1 4.1Å; A746-I797 HydrophobicContact CB-CG2 4.44Å
747	V	91.7	Very high	87.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-42.6	172.2	172.7	0	0	0	0	110.8	Y739 D743 E744 I750 C751 V777 L781 V790 Y800 L802	Y739-V747 HydrophobicContact CD2-CG2 4.36Å; Y739-V747 HydrophobicContact CE2-CG2 4.38Å; D743-V747 PolarHBondContact O-N 2.9Å; E744-V747 PolarHBondContact O-N 3.3Å; E744-V747 VanDerWaalsContact O-N 3.12Å; V747-I750 PolarHBondContact O-N 3.37Å; V747-C751 VanDerWaalsContact O-CB 3.23Å; V747-C751 WeakPolarHBondContact O-CB 3.47Å; V747-C751 PolarHBondContact O-N 3.29Å; V747-V777 HydrophobicContact CG1-CG2 4.21Å; V747-L781 HydrophobicContact CG1-CD1 3.91Å; V747-L781 HydrophobicContact CG1-CD2 4.35Å; V747-V790 HydrophobicContact CG2-CG1 3.99Å; V747-Y800 HydrophobicContact CB-CD1 4.31Å; V747-Y800 HydrophobicContact CG1-CD1 3.74Å; V747-Y800 HydrophobicContact CG1-CD2 4.43Å; V747-Y800 HydrophobicContact CG1-CE1 3.95Å; V747-Y800 HydrophobicContact CG1-CG 3.98Å; V747-Y800 HydrophobicContact CG2-CD1 4.39Å; V747-L802 HydrophobicContact CG1-CD1 4.37Å
748	Y	92.6	Very high	86	Confident	17 Å²	17	53 Å²	53	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-44	176.5	-86.2	38.8	0	0	0	111.6	E744 A746 C751 K752 D770 D774 V777 G778 L781	E744-Y748 HydrophobicContact CG-CD1 4.08Å; E744-Y748 HydrophobicContact CG-CE1 3.88Å; E744-Y748 WeakPolarHBondContact O-CD1 3.22Å; E744-Y748 PolarHBondContact O-N 2.88Å; A746-Y748 VanDerWaalsContact C-N 3.35Å; Y748-C751 PolarHBondContact O-N 2.64Å; Y748-K752 PolarHBondContact O-N 3.31Å; Y748-D770 HydrophobicContact CD2-CB 3.99Å; Y748-D770 HydrophobicContact CE2-CB 4Å; Y748-D774 WeakPolarHBondContact CE2-OD1 3.15Å; Y748-D774 PolarHBondContact OH-OD1 3.36Å; Y748-V777 HydrophobicContact CD1-CG2 4.18Å; Y748-V777 HydrophobicContact CE1-CG2 4.11Å; Y748-G778 WeakPolarHBondContact OH-CA 3.31Å; Y748-L781 HydrophobicContact CD1-CD1 4.19Å; Y748-L781 HydrophobicContact CE1-CD1 3.67Å
749	K	89.8	Confident	84.7	Confident	121 Å²	121	57.1 Å²	57.1	53%	0.526	31%	0.306	S	S	.	.	H	α-helix	trans	-55.5	-54.7	174.2	-177.7	-171.7	164	-174.6	0	111.3	T745 A746 C751 K752 E753	T745-K749 WeakPolarHBondContact O-CB 3.43Å; T745-K749 PolarHBondContact O-N 3.44Å; A746-K749 PolarHBondContact O-N 2.85Å; K749-C751 VanDerWaalsContact C-N 3.3Å; K749-C751 PolarHBondContact O-N 3.49Å; K749-K752 WeakPolarHBondContact O-CB 3.3Å; K749-K752 PolarHBondContact O-N 2.78Å; K749-K752 VanDerWaalsContact O-N 3.12Å; K749-E753 WeakPolarHBondContact CE-OE1 3.39Å; K749-E753 WeakPolarHBondContact CE-OE2 3.42Å; K749-E753 IonicContact NZ-OE1 3.69Å; K749-E753 PolarHBondContact NZ-OE1 3.41Å; K749-E753 WeakPolarHBondContact O-CG 3.46Å; K749-E753 PolarHBondContact O-N 2.89Å
750	I	89	Confident	82.7	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-40.1	179.4	-64.1	163.4	0	0	0	110.5	A746 V747 K752 E753 M754 I797 Y800	A746-I750 WeakPolarHBondContact O-CG1 3.35Å; A746-I750 PolarHBondContact O-N 2.73Å; V747-I750 PolarHBondContact O-N 3.37Å; I750-K752 VanDerWaalsContact C-N 3.27Å; I750-K752 PolarHBondContact O-N 3.06Å; I750-E753 PolarHBondContact O-N 2.88Å; I750-M754 HydrophobicContact CG2-CG 3.84Å; I750-M754 WeakPolarHBondContact O-CB 3.31Å; I750-M754 VanDerWaalsContact O-CG 3.27Å; I750-M754 WeakPolarHBondContact O-CG 3.41Å; I750-M754 PolarHBondContact O-N 2.9Å; I750-I797 HydrophobicContact CD1-CG2 3.82Å; I750-Y800 HydrophobicContact CB-CD1 4.27Å; I750-Y800 HydrophobicContact CB-CE1 4.07Å; I750-Y800 HydrophobicContact CG2-CD1 4.08Å; I750-Y800 HydrophobicContact CG2-CE1 3.85Å
751	C	89	Confident	80.7	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.02	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-35	176.8	-169.5	0	0	0	0	112.7	V747 Y748 K749 Y755 V777 Y800	V747-C751 VanDerWaalsContact O-CB 3.23Å; V747-C751 WeakPolarHBondContact O-CB 3.47Å; V747-C751 PolarHBondContact O-N 3.29Å; Y748-C751 PolarHBondContact O-N 2.64Å; K749-C751 VanDerWaalsContact C-N 3.3Å; K749-C751 PolarHBondContact O-N 3.49Å; C751-Y755 WeakPolarHBondContact O-CB 3.49Å; C751-Y755 PolarHBondContact O-N 2.85Å; C751-V777 HydrophobicContact CB-CG2 4.16Å; C751-Y800 HydrophobicContact CB-CE1 4.15Å; C751-Y800 VanDerWaalsContact CB-OH 3.3Å; C751-Y800 WeakPolarHBondContact CB-OH 3.43Å; C751-Y800 PolarHBondContact SG-OH 3.13Å; C751-Y800 VanDerWaalsContact SG-OH 3.34Å
752	K	87.3	Confident	79	Confident	60 Å²	60	72 Å²	72	26%	0.261	38%	0.375	S	S	.	.	H	α-helix	trans	-72.8	-48.2	174.2	178.9	163.7	-176.3	169.4	0	111.6	Y748 K749 I750 Y755 C756 I772	Y748-K752 PolarHBondContact O-N 3.31Å; K749-K752 WeakPolarHBondContact O-CB 3.3Å; K749-K752 PolarHBondContact O-N 2.78Å; K749-K752 VanDerWaalsContact O-N 3.12Å; I750-K752 VanDerWaalsContact C-N 3.27Å; I750-K752 PolarHBondContact O-N 3.06Å; K752-Y755 PolarHBondContact O-N 3.49Å; K752-C756 PolarHBondContact O-N 3.37Å; K752-C756 PolarHBondContact O-SG 2.89Å; K752-I772 HydrophobicContact CB-CD1 4.49Å; K752-I772 HydrophobicContact CD-CD1 4.31Å; K752-I772 HydrophobicContact CG-CD1 3.93Å
753	E	86.6	Confident	77.1	Confident	70 Å²	70	69.8 Å²	69.8	33%	0.327	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-52	179.2	-70.8	170.3	149.9	0	0	111.4	K749 I750 Y755 C756 E757	K749-E753 WeakPolarHBondContact CE-OE1 3.39Å; K749-E753 WeakPolarHBondContact CE-OE2 3.42Å; K749-E753 IonicContact NZ-OE1 3.69Å; K749-E753 PolarHBondContact NZ-OE1 3.41Å; K749-E753 WeakPolarHBondContact O-CG 3.46Å; K749-E753 PolarHBondContact O-N 2.89Å; I750-E753 PolarHBondContact O-N 2.88Å; E753-Y755 PolarHBondContact O-N 3.09Å; E753-C756 PolarHBondContact O-N 3.43Å; E753-E757 WeakPolarHBondContact O-CB 3.41Å; E753-E757 PolarHBondContact O-N 2.9Å
754	M	84.3	Confident	75.4	Confident	15 Å²	15	71.3 Å²	71.3	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-70.3	-14.2	-179.7	-58.7	-48.8	-59	0	0	114.3	I750 E757 D867 I868 R907	I750-M754 HydrophobicContact CG2-CG 3.84Å; I750-M754 WeakPolarHBondContact O-CB 3.31Å; I750-M754 VanDerWaalsContact O-CG 3.27Å; I750-M754 WeakPolarHBondContact O-CG 3.41Å; I750-M754 PolarHBondContact O-N 2.9Å; M754-E757 WeakPolarHBondContact CE-OE2 3.47Å; M754-D867 HydrophobicContact CG-CB 4.41Å; M754-I868 WeakPolarHBondContact CE-O 3.36Å; M754-R907 PolarHBondContact O-NH2 3.09Å
755	Y	81.1	Confident	73.4	Confident	29 Å²	29	71.7 Å²	71.7	11%	0.114	40%	0.399	C	S	.	.	H	α-helix	trans	-86.4	-39.7	173.5	175.8	-82.6	0	0	0	112	C751 K752 E753 M759 F764 I772 L776 M841 R902	C751-Y755 WeakPolarHBondContact O-CB 3.49Å; C751-Y755 PolarHBondContact O-N 2.85Å; K752-Y755 PolarHBondContact O-N 3.49Å; E753-Y755 PolarHBondContact O-N 3.09Å; Y755-M759 HydrophobicContact CE1-SD 4.15Å; Y755-F764 AromaticContact CE1-CE2 3.76Å; Y755-F764 HydrophobicContact CE1-CE2 3.76Å; Y755-F764 AromaticContact CE1-CZ 3.76Å; Y755-F764 HydrophobicContact CE1-CZ 3.76Å; Y755-I772 HydrophobicContact CD1-CD1 3.94Å; Y755-I772 HydrophobicContact CD1-CG1 4.42Å; Y755-I772 HydrophobicContact CD1-CG2 4.19Å; Y755-I772 HydrophobicContact CD2-CG2 4.16Å; Y755-I772 HydrophobicContact CE1-CD1 4.36Å; Y755-I772 HydrophobicContact CG-CG2 3.81Å; Y755-L776 HydrophobicContact CD2-CD1 3.68Å; Y755-L776 HydrophobicContact CE2-CD1 4.27Å; Y755-L776 HydrophobicContact CG-CD1 4.49Å; Y755-M841 HydrophobicContact CE1-CE 3.82Å; Y755-M841 HydrophobicContact CE2-CE 3.74Å; Y755-M841 WeakPolarHBondContact OH-CE 3.43Å; Y755-R902 PolarHBondContact OH-NH1 3.24Å; Y755-R902 PolarHBondContact OH-NH2 3.01Å
756	C	77	Confident	71.7	Confident	48 Å²	48	75.5 Å²	75.5	32%	0.324	41%	0.409	S	S	.	.	H	α-helix	trans	-76.9	-23.3	177	-67.1	0	0	0	0	112.8	K752 E753 G758 M759	K752-C756 PolarHBondContact O-N 3.37Å; K752-C756 PolarHBondContact O-SG 2.89Å; E753-C756 PolarHBondContact O-N 3.43Å; C756-G758 VanDerWaalsContact C-N 3.29Å; C756-G758 PolarHBondContact O-N 3.11Å; C756-M759 PolarHBondContact O-N 3.03Å; C756-M759 VanDerWaalsContact O-N 3.09Å
757	E	69.3	Low	70.1	Confident	76 Å²	76	77.2 Å²	77.2	36%	0.355	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	80.8	176	-171	-175.1	-116.1	0	0	112.2	E753 M754 A870 R907	E753-E757 WeakPolarHBondContact O-CB 3.41Å; E753-E757 PolarHBondContact O-N 2.9Å; M754-E757 WeakPolarHBondContact CE-OE2 3.47Å; E757-A870 WeakPolarHBondContact OE1-CB 3.17Å; E757-R907 PolarHBondContact O-NE 3.47Å; E757-R907 PolarHBondContact O-NH2 3.38Å; E757-R907 IonicContact OE2-CZ 3.52Å; E757-R907 IonicContact OE2-NE 3.5Å; E757-R907 PolarHBondContact OE2-NE 3.42Å; E757-R907 IonicContact OE2-NH1 2.7Å; E757-R907 PolarHBondContact OE2-NH1 3.24Å; E757-R907 IonicContact OE2-NH2 3.42Å
758	G	55.1	Low	69	Low	77 Å²	77	81 Å²	81	79%	0.794	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.5	1	-176.9	0	0	0	0	0	115.3	C756	C756-G758 VanDerWaalsContact C-N 3.29Å; C756-G758 PolarHBondContact O-N 3.11Å
759	M	60.9	Low	68.1	Low	85 Å²	85	84 Å²	84	42%	0.419	47%	0.47	S	S	.	.			trans	-111.4	116.7	172	-68.3	-176.5	163.7	0	0	109.7	Y755 C756	Y755-M759 HydrophobicContact CE1-SD 4.15Å; C756-M759 PolarHBondContact O-N 3.03Å; C756-M759 VanDerWaalsContact O-N 3.09Å
760	E	49.1	Very low	67.8	Low	201 Å²	201	81.3 Å²	81.3	94%	0.939	46%	0.461	S	S	*	.			trans	-87.3	-14	-179.7	-63.9	-172.6	142.5	0	0	113.3
761	D	46.7	Very low	67.7	Low	147 Å²	147	81.3 Å²	81.3	79%	0.786	46%	0.461	S	S	*	.	S	Bend	trans	-114.5	142	-177.3	-75.2	-55.2	0	0	0	113.2
762	E	51.9	Low	67.5	Low	167 Å²	167	81.3 Å²	81.3	78%	0.78	46%	0.461	S	S	*	.			trans	54.7	108.6	172	-71.2	-64.3	164.5	0	0	118.5
763	P	50.3	Low	67.5	Low	114 Å²	114	78.5 Å²	78.5	74%	0.74	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-71.7	132.2	172.2	30.6	-33.2	0	0	0	111.5	A765	P763-A765 PolarHBondContact O-N 2.82Å
764	F	56.7	Low	67.6	Low	41 Å²	41	75.5 Å²	75.5	18%	0.18	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-53.6	116.3	167.4	-77.9	-107.4	0	0	0	109.7	Y755 I772 E837 A838 M841	Y755-F764 AromaticContact CE1-CE2 3.76Å; Y755-F764 HydrophobicContact CE1-CE2 3.76Å; Y755-F764 AromaticContact CE1-CZ 3.76Å; Y755-F764 HydrophobicContact CE1-CZ 3.76Å; F764-I772 HydrophobicContact CD1-CD1 4.18Å; F764-I772 HydrophobicContact CD1-CG1 4.5Å; F764-I772 HydrophobicContact CD2-CD1 4.31Å; F764-I772 HydrophobicContact CE1-CD1 4.28Å; F764-I772 HydrophobicContact CE1-CG1 4.33Å; F764-I772 HydrophobicContact CE2-CD1 4.43Å; F764-I772 HydrophobicContact CG-CD1 4.21Å; F764-I772 HydrophobicContact CZ-CD1 4.41Å; F764-E837 HydrophobicContact CE1-CB 4.36Å; F764-E837 HydrophobicContact CZ-CB 3.87Å; F764-A838 HydrophobicContact CD1-CB 3.99Å; F764-A838 HydrophobicContact CE1-CB 4.11Å; F764-M841 HydrophobicContact CE1-CE 3.9Å; F764-M841 HydrophobicContact CE1-SD 4.23Å; F764-M841 HydrophobicContact CZ-CE 3.77Å
765	A	51	Low	67.7	Low	82 Å²	82	78.1 Å²	78.1	68%	0.678	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-54.2	145.2	-174.1	0	0	0	0	0	112.6	P763 G767	P763-A765 PolarHBondContact O-N 2.82Å; A765-G767 PolarHBondContact O-N 3.16Å
766	E	54.9	Low	67.9	Low	195 Å²	195	79.8 Å²	79.8	91%	0.911	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-5.8	-168.3	-59.8	-173.8	130.7	0	0	115.7	E768	E766-E768 PolarHBondContact O-N 3.07Å
767	G	57.9	Low	68.6	Low	70 Å²	70	77.6 Å²	77.6	72%	0.722	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.2	-175.5	0	0	0	0	0	115.5	A765	A765-G767 PolarHBondContact O-N 3.16Å
768	E	69.3	Low	69.5	Low	78 Å²	78	74 Å²	74	36%	0.364	42%	0.423	S	S	.	.			trans	-133.6	81.5	-172.7	-63.5	-170.4	168.4	0	0	112	E766 D770 L771 Y826	E766-E768 PolarHBondContact O-N 3.07Å; E768-D770 VanDerWaalsContact C-N 3.32Å; E768-D770 PolarHBondContact O-N 2.87Å; E768-L771 HydrophobicContact CB-CB 4.31Å; E768-Y826 HydrophobicContact CB-CE1 4.42Å; E768-Y826 VanDerWaalsContact CD-CE1 3.49Å; E768-Y826 HydrophobicContact CG-CE1 4.24Å; E768-Y826 WeakPolarHBondContact OE2-CD1 3.19Å; E768-Y826 WeakPolarHBondContact OE2-CE1 3.48Å
769	P	72.4	Confident	71	Confident	81 Å²	81	70.7 Å²	70.7	53%	0.526	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.1	-175.6	25.2	-34.1	0	0	0	113.8
770	D	85.1	Confident	72.3	Confident	65 Å²	65	67.1 Å²	67.1	35%	0.348	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-20	-170.6	-59.5	-22	0	0	0	114.9	Y748 E768 I772 G773 D774 K825	Y748-D770 HydrophobicContact CD2-CB 3.99Å; Y748-D770 HydrophobicContact CE2-CB 4Å; E768-D770 VanDerWaalsContact C-N 3.32Å; E768-D770 PolarHBondContact O-N 2.87Å; D770-I772 VanDerWaalsContact C-N 3.25Å; D770-I772 PolarHBondContact O-N 2.87Å; D770-G773 WeakPolarHBondContact O-CA 3.34Å; D770-G773 PolarHBondContact O-N 3.06Å; D770-D774 PolarHBondContact O-N 3.13Å; D770-K825 IonicContact OD2-NZ 3.52Å; D770-K825 PolarHBondContact OD2-NZ 2.85Å
771	L	85.3	Confident	74.2	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-52.7	-40.2	-162.3	176.5	64.8	0	0	0	113.6	E768 R775 Y826 A838 M841 I842 F845	E768-L771 HydrophobicContact CB-CB 4.31Å; L771-R775 WeakPolarHBondContact O-CB 3.43Å; L771-R775 PolarHBondContact O-N 3.48Å; L771-Y826 WeakPolarHBondContact CA-OH 3.36Å; L771-Y826 HydrophobicContact CB-CE1 4.39Å; L771-Y826 HydrophobicContact CD1-CD1 4.12Å; L771-Y826 HydrophobicContact CD1-CD2 4.27Å; L771-Y826 HydrophobicContact CD1-CE1 3.88Å; L771-Y826 HydrophobicContact CD1-CE2 4.02Å; L771-Y826 HydrophobicContact CD1-CG 4.32Å; L771-Y826 PolarHBondContact N-OH 2.99Å; L771-A838 HydrophobicContact CD2-CB 3.95Å; L771-M841 HydrophobicContact CD1-CB 4.36Å; L771-M841 HydrophobicContact CD2-CB 4.24Å; L771-M841 HydrophobicContact CG-CB 4.25Å; L771-M841 HydrophobicContact CG-SD 4.33Å; L771-I842 HydrophobicContact CD1-CG1 3.74Å; L771-I842 HydrophobicContact CD2-CD1 4.35Å; L771-I842 HydrophobicContact CD2-CG1 4.03Å; L771-F845 HydrophobicContact CD1-CE2 3.99Å
772	I	85.3	Confident	76.1	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-41.2	178.6	-63.9	164.8	0	0	0	110.9	K752 Y755 F764 D770 L776 M841	K752-I772 HydrophobicContact CB-CD1 4.49Å; K752-I772 HydrophobicContact CD-CD1 4.31Å; K752-I772 HydrophobicContact CG-CD1 3.93Å; Y755-I772 HydrophobicContact CD1-CD1 3.94Å; Y755-I772 HydrophobicContact CD1-CG1 4.42Å; Y755-I772 HydrophobicContact CD1-CG2 4.19Å; Y755-I772 HydrophobicContact CD2-CG2 4.16Å; Y755-I772 HydrophobicContact CE1-CD1 4.36Å; Y755-I772 HydrophobicContact CG-CG2 3.81Å; F764-I772 HydrophobicContact CD1-CD1 4.18Å; F764-I772 HydrophobicContact CD1-CG1 4.5Å; F764-I772 HydrophobicContact CD2-CD1 4.31Å; F764-I772 HydrophobicContact CE1-CD1 4.28Å; F764-I772 HydrophobicContact CE1-CG1 4.33Å; F764-I772 HydrophobicContact CE2-CD1 4.43Å; F764-I772 HydrophobicContact CG-CD1 4.21Å; F764-I772 HydrophobicContact CZ-CD1 4.41Å; D770-I772 VanDerWaalsContact C-N 3.25Å; D770-I772 PolarHBondContact O-N 2.87Å; I772-L776 HydrophobicContact CG2-CD1 3.78Å; I772-L776 WeakPolarHBondContact O-CB 3.19Å; I772-L776 VanDerWaalsContact O-CG 3.29Å; I772-L776 WeakPolarHBondContact O-CG 3.35Å; I772-L776 PolarHBondContact O-N 2.81Å; I772-M841 HydrophobicContact CG1-CE 4.1Å; I772-M841 HydrophobicContact CG1-SD 4.03Å
773	G	86.4	Confident	77.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-49.2	175.2	0	0	0	0	0	111.5	D770 R775 L776 V777 G778	D770-G773 WeakPolarHBondContact O-CA 3.34Å; D770-G773 PolarHBondContact O-N 3.06Å; G773-R775 VanDerWaalsContact C-N 3.32Å; G773-R775 PolarHBondContact O-N 2.67Å; G773-L776 PolarHBondContact O-N 3.25Å; G773-V777 WeakPolarHBondContact O-CG2 3.3Å; G773-V777 PolarHBondContact O-N 2.8Å; G773-G778 PolarHBondContact O-N 2.96Å
774	D	88.8	Confident	79.3	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.032	25%	0.247	C	C	.	.	I	π-helix	trans	-57.9	-41	178.3	-82.5	-29.5	0	0	0	112.9	Y748 D770 W818 M822 K825 Y826 F845	Y748-D774 WeakPolarHBondContact CE2-OD1 3.15Å; Y748-D774 PolarHBondContact OH-OD1 3.36Å; D770-D774 PolarHBondContact O-N 3.13Å; D774-W818 HydrophobicContact CB-CZ2 4.16Å; D774-W818 WeakPolarHBondContact O-CZ2 3.18Å; D774-W818 WeakPolarHBondContact OD1-CH2 3.41Å; D774-M822 HydrophobicContact CB-CE 4.5Å; D774-M822 HydrophobicContact CB-SD 3.66Å; D774-K825 IonicContact OD2-NZ 2.88Å; D774-K825 PolarHBondContact OD2-NZ 2.69Å; D774-Y826 HydrophobicContact CB-CE2 4.3Å; D774-Y826 PolarHBondContact OD2-OH 3.29Å; D774-Y826 VanDerWaalsContact OD2-OH 3.08Å; D774-F845 HydrophobicContact CB-CZ 4.3Å
775	R	86.8	Confident	80.7	Confident	71 Å²	71	42 Å²	42	27%	0.268	25%	0.251	S	S	.	.	I	π-helix	trans	-75.7	-33.2	-178.5	-176.1	54.9	-176.4	107.1	-18.2	114	L771 G773 S844 F845 E849	L771-R775 WeakPolarHBondContact O-CB 3.43Å; L771-R775 PolarHBondContact O-N 3.48Å; G773-R775 VanDerWaalsContact C-N 3.32Å; G773-R775 PolarHBondContact O-N 2.67Å; R775-S844 PolarHBondContact NE-OG 3.11Å; R775-F845 HydrophobicContact CB-CE1 4.33Å; R775-F845 HydrophobicContact CB-CE2 4.45Å; R775-F845 HydrophobicContact CB-CZ 3.76Å; R775-F845 HydrophobicContact CG-CZ 4.36Å; R775-E849 IonicContact CZ-OE2 3.17Å; R775-E849 IonicContact NH1-OE2 3.26Å; R775-E849 IonicContact NH2-OE2 3.58Å; R775-E849 PolarHBondContact NH2-OE2 3.39Å
776	L	85.8	Confident	82.2	Confident	64 Å²	64	40.2 Å²	40.2	34%	0.335	23%	0.231	S	C	.	.	I	π-helix	trans	-101.5	-34.8	-171	-61.2	178.5	0	0	0	114.1	Y755 I772 G773	Y755-L776 HydrophobicContact CD2-CD1 3.68Å; Y755-L776 HydrophobicContact CE2-CD1 4.27Å; Y755-L776 HydrophobicContact CG-CD1 4.49Å; I772-L776 HydrophobicContact CG2-CD1 3.78Å; I772-L776 WeakPolarHBondContact O-CB 3.19Å; I772-L776 VanDerWaalsContact O-CG 3.29Å; I772-L776 WeakPolarHBondContact O-CG 3.35Å; I772-L776 PolarHBondContact O-N 2.81Å; G773-L776 PolarHBondContact O-N 3.25Å
777	V	90.6	Very high	83.8	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.19	C	C	.	.	I	π-helix	trans	-132.4	-27	-172.2	-66.6	0	0	0	0	114.7	V747 Y748 C751 G773 G779 L780 L781 Y800 L802 K865	V747-V777 HydrophobicContact CG1-CG2 4.21Å; Y748-V777 HydrophobicContact CD1-CG2 4.18Å; Y748-V777 HydrophobicContact CE1-CG2 4.11Å; C751-V777 HydrophobicContact CB-CG2 4.16Å; G773-V777 WeakPolarHBondContact O-CG2 3.3Å; G773-V777 PolarHBondContact O-N 2.8Å; V777-G779 VanDerWaalsContact C-N 3.27Å; V777-G779 PolarHBondContact O-N 2.8Å; V777-L780 WeakPolarHBondContact O-CA 3.46Å; V777-L780 WeakPolarHBondContact O-CB 3.5Å; V777-L780 PolarHBondContact O-N 2.97Å; V777-L781 HydrophobicContact CB-CD1 3.98Å; V777-L781 HydrophobicContact CG2-CD1 3.9Å; V777-L781 WeakPolarHBondContact O-CG 3.19Å; V777-L781 PolarHBondContact O-N 3.22Å; V777-Y800 HydrophobicContact CG1-CE2 3.91Å; V777-L802 HydrophobicContact CB-CD1 3.71Å; V777-L802 HydrophobicContact CG1-CD1 3.75Å; V777-K865 HydrophobicContact CG1-CG 4.01Å
778	G	88.2	Confident	85.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-54	-39	-177.1	0	0	0	0	0	114.3	Y748 G773 L781 T782 W818	Y748-G778 WeakPolarHBondContact OH-CA 3.31Å; G773-G778 PolarHBondContact O-N 2.96Å; G778-L781 PolarHBondContact O-N 2.78Å; G778-T782 VanDerWaalsContact O-CB 3.31Å; G778-T782 WeakPolarHBondContact O-CB 3.41Å; G778-T782 PolarHBondContact O-N 3.28Å; G778-T782 PolarHBondContact O-OG1 2.72Å; G778-W818 VanDerWaalsContact C-CZ2 3.46Å
779	G	87.6	Confident	86.4	Confident	8 Å²	8	24.7 Å²	24.7	8%	0.082	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-43.6	172.8	0	0	0	0	0	113.3	V777 V783 F810	V777-G779 VanDerWaalsContact C-N 3.27Å; V777-G779 PolarHBondContact O-N 2.8Å; G779-V783 WeakPolarHBondContact O-CB 3.43Å; G779-V783 WeakPolarHBondContact O-CG2 3.09Å; G779-V783 PolarHBondContact O-N 3.26Å; G779-F810 WeakPolarHBondContact O-CE2 3.34Å
780	L	88.3	Confident	87.5	Confident	10 Å²	10	20.8 Å²	20.8	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-42.7	176	-72.3	169.4	0	0	0	111.3	V777 S784 S785 L802 F810 K865	V777-L780 WeakPolarHBondContact O-CA 3.46Å; V777-L780 WeakPolarHBondContact O-CB 3.5Å; V777-L780 PolarHBondContact O-N 2.97Å; L780-S784 CarbonylContact O-C 3.45Å; L780-S784 VanDerWaalsContact O-CA 3.22Å; L780-S784 WeakPolarHBondContact O-CA 3.47Å; L780-S784 WeakPolarHBondContact O-CB 3.48Å; L780-S784 PolarHBondContact O-N 2.91Å; L780-S785 PolarHBondContact O-N 2.75Å; L780-L802 HydrophobicContact CB-CB 4.35Å; L780-L802 HydrophobicContact CD1-CB 4.03Å; L780-F810 HydrophobicContact CD2-CD2 4.43Å; L780-F810 HydrophobicContact CD2-CE1 4.23Å; L780-F810 HydrophobicContact CD2-CE2 3.76Å; L780-F810 HydrophobicContact CD2-CZ 3.64Å; L780-F810 HydrophobicContact CG-CE2 4.33Å; L780-F810 HydrophobicContact CG-CZ 3.97Å; L780-K865 HydrophobicContact CD1-CB 4.13Å
781	L	89.1	Confident	87.8	Confident	5 Å²	5	17.7 Å²	17.7	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-42.1	-179.3	-63.5	160.1	0	0	0	111.8	Y739 V747 Y748 V777 G778 S785 L802	Y739-L781 HydrophobicContact CD1-CD2 4.16Å; Y739-L781 HydrophobicContact CD2-CD2 3.93Å; Y739-L781 HydrophobicContact CE1-CD2 3.8Å; Y739-L781 HydrophobicContact CE2-CD2 3.55Å; Y739-L781 HydrophobicContact CG-CD2 4.23Å; Y739-L781 VanDerWaalsContact CZ-CD2 3.48Å; V747-L781 HydrophobicContact CG1-CD1 3.91Å; V747-L781 HydrophobicContact CG1-CD2 4.35Å; Y748-L781 HydrophobicContact CD1-CD1 4.19Å; Y748-L781 HydrophobicContact CE1-CD1 3.67Å; V777-L781 HydrophobicContact CB-CD1 3.98Å; V777-L781 HydrophobicContact CG2-CD1 3.9Å; V777-L781 WeakPolarHBondContact O-CG 3.19Å; V777-L781 PolarHBondContact O-N 3.22Å; G778-L781 PolarHBondContact O-N 2.78Å; L781-S785 WeakPolarHBondContact O-CB 3.12Å; L781-S785 PolarHBondContact O-OG 2.87Å; L781-L802 HydrophobicContact CD1-CD1 4.34Å; L781-L802 HydrophobicContact CD2-CD1 3.75Å; L781-L802 HydrophobicContact CD2-CD2 3.63Å; L781-L802 HydrophobicContact CD2-CG 4.36Å; L781-L802 HydrophobicContact CG-CD1 3.89Å
782	T	86.2	Confident	88.1	Confident	75 Å²	75	20 Å²	20	46%	0.46	11%	0.108	S	C	.	.	H	α-helix	trans	-76.4	-36.5	-179.7	-56.8	0	0	0	0	113.1	G778 W818	G778-T782 VanDerWaalsContact O-CB 3.31Å; G778-T782 WeakPolarHBondContact O-CB 3.41Å; G778-T782 PolarHBondContact O-N 3.28Å; G778-T782 PolarHBondContact O-OG1 2.72Å; T782-W818 HydrophobicContact CG2-CE3 3.94Å; T782-W818 HydrophobicContact CG2-CZ3 4.19Å; T782-W818 WeakPolarHBondContact OG1-CZ3 3.42Å
783	V	85.3	Confident	88.2	Confident	19 Å²	19	20.6 Å²	20.6	12%	0.115	11%	0.111	C	C	.	.	H	α-helix	trans	-108	-15.8	-166.7	-177.3	0	0	0	0	113.4	G779 F810 K813 W818	G779-V783 WeakPolarHBondContact O-CB 3.43Å; G779-V783 WeakPolarHBondContact O-CG2 3.09Å; G779-V783 PolarHBondContact O-N 3.26Å; V783-F810 HydrophobicContact CB-CD2 4.17Å; V783-F810 HydrophobicContact CB-CE2 4Å; V783-F810 HydrophobicContact CG1-CD2 3.9Å; V783-F810 HydrophobicContact CG1-CE2 4.21Å; V783-K813 HydrophobicContact CG1-CB 3.37Å; V783-K813 HydrophobicContact CG1-CD 3.42Å; V783-K813 VanDerWaalsContact CG1-CD 3.42Å; V783-K813 HydrophobicContact CG1-CG 4.08Å; V783-W818 HydrophobicContact CG2-CB 4.43Å
784	S	85.2	Confident	87.9	Confident	5 Å²	5	27 Å²	27	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-147.9	26.6	-169.1	-162.5	0	0	0	0	113.7	L780 D786 Y787 G803 T804	L780-S784 CarbonylContact O-C 3.45Å; L780-S784 VanDerWaalsContact O-CA 3.22Å; L780-S784 WeakPolarHBondContact O-CA 3.47Å; L780-S784 WeakPolarHBondContact O-CB 3.48Å; L780-S784 PolarHBondContact O-N 2.91Å; S784-D786 PolarHBondContact O-N 3.13Å; S784-Y787 PolarHBondContact O-N 2.83Å; S784-G803 PolarHBondContact OG-O 3.37Å; S784-T804 WeakPolarHBondContact OG-CA 3.44Å; S784-T804 WeakPolarHBondContact OG-CB 3.37Å; S784-T804 PolarHBondContact OG-OG1 2.79Å
785	S	84.6	Confident	87.7	Confident	38 Å²	38	33.7 Å²	33.7	27%	0.266	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-58	-20.9	-175.1	10.9	0	0	0	0	115.1	R665 L780 L781 Y787 G788	R665-S785 PolarHBondContact NH1-O 3.26Å; L780-S785 PolarHBondContact O-N 2.75Å; L781-S785 WeakPolarHBondContact O-CB 3.12Å; L781-S785 PolarHBondContact O-OG 2.87Å; S785-Y787 PolarHBondContact O-N 2.98Å; S785-G788 PolarHBondContact O-N 3.04Å; S785-G788 VanDerWaalsContact O-N 3.13Å
786	D	83	Confident	87.7	Confident	46 Å²	46	31.9 Å²	31.9	25%	0.246	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.7	-31.9	173.3	-61.5	-72.8	0	0	0	112.8	W661 R665 H667 S784	W661-D786 VanDerWaalsContact CD1-O 3.29Å; W661-D786 PolarHBondContact NE1-O 3Å; R665-D786 HydrophobicContact CB-CB 4.37Å; R665-D786 WeakPolarHBondContact CD-O 3.5Å; R665-D786 PolarHBondContact NH1-O 3.08Å; H667-D786 VanDerWaalsContact CE1-CG 3.43Å; H667-D786 IonicContact CE1-OD1 3.29Å; H667-D786 IonicContact CE1-OD2 3.5Å; H667-D786 PolarHBondContact CE1-OD2 3.26Å; H667-D786 IonicContact NE2-OD2 2.73Å; S784-D786 PolarHBondContact O-N 3.13Å
787	Y	88	Confident	88	Confident	15 Å²	15	30.4 Å²	30.4	6%	0.059	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-103	30.8	-179	-52.7	-82.9	0	0	0	111.7	W661 S784 S785 G803 V805 L885 L889 N892	W661-Y787 HydrophobicContact CZ2-CE1 4.11Å; S784-Y787 PolarHBondContact O-N 2.83Å; S785-Y787 PolarHBondContact O-N 2.98Å; Y787-G803 WeakPolarHBondContact CB-O 3.48Å; Y787-G803 PolarHBondContact O-N 3.45Å; Y787-G803 VanDerWaalsContact O-N 3.08Å; Y787-V805 HydrophobicContact CD1-CG2 4.06Å; Y787-V805 HydrophobicContact CD2-CG2 4.42Å; Y787-V805 HydrophobicContact CE1-CG2 3.42Å; Y787-V805 VanDerWaalsContact CE1-CG2 3.42Å; Y787-V805 HydrophobicContact CE2-CG2 3.85Å; Y787-L885 VanDerWaalsContact O-CD1 3.29Å; Y787-L885 WeakPolarHBondContact O-CD1 3.28Å; Y787-L889 HydrophobicContact CD1-CD2 3.84Å; Y787-L889 HydrophobicContact CD1-CG 4.46Å; Y787-L889 HydrophobicContact CG-CD2 4.15Å; Y787-N892 HydrophobicContact CE1-CB 4.3Å; Y787-N892 WeakPolarHBondContact CE1-ND2 3.44Å; Y787-N892 PolarHBondContact OH-ND2 3.03Å; Y787-N892 PolarHBondContact OH-OD1 2.84Å
788	G	90.6	Very high	88.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.5	172.6	0	0	0	0	0	112.5	Y739 S785 A801	Y739-G788 WeakPolarHBondContact CB-O 3.22Å; Y739-G788 PolarHBondContact N-O 3.35Å; S785-G788 PolarHBondContact O-N 3.04Å; S785-G788 VanDerWaalsContact O-N 3.13Å; G788-A801 WeakPolarHBondContact CA-O 3.19Å
789	F	92.9	Very high	88.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.9	168.3	-65.3	-92	0	0	0	109.5	W661 I736 R737 P738 Y800 A801 M881 C884 L885	W661-F789 HydrophobicContact CB-CE1 3.99Å; W661-F789 HydrophobicContact CB-CZ 3.89Å; W661-F789 AromaticContact CD1-CZ 3.69Å; W661-F789 HydrophobicContact CG-CE1 4.36Å; W661-F789 AromaticContact CG-CZ 3.8Å; W661-F789 HydrophobicContact CG-CZ 3.8Å; I736-F789 HydrophobicContact CG2-CB 4.4Å; I736-F789 HydrophobicContact CG2-CD1 4.22Å; R737-F789 CarbonylContact O-C 3.56Å; R737-F789 VanDerWaalsContact O-CA 3.3Å; R737-F789 WeakPolarHBondContact O-CA 3.25Å; P738-F789 HydrophobicContact CG-CE1 4.46Å; F789-Y800 WeakPolarHBondContact O-CA 3.14Å; F789-A801 PolarHBondContact N-O 2.82Å; F789-A801 PolarHBondContact O-N 2.81Å; F789-M881 HydrophobicContact CB-CG 4.41Å; F789-C884 HydrophobicContact CD1-CB 3.96Å; F789-C884 HydrophobicContact CD2-CB 4.22Å; F789-C884 HydrophobicContact CE1-CB 3.85Å; F789-C884 HydrophobicContact CE2-CB 4.12Å; F789-C884 HydrophobicContact CG-CB 4.15Å; F789-C884 HydrophobicContact CZ-CB 3.93Å; F789-L885 HydrophobicContact CD2-CB 4.36Å
790	V	93.5	Very high	88.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153	170.6	-63.9	0	0	0	0	110.4	R737 Y739 D743 V747 I797	R737-V790 HydrophobicContact CG-CG2 3.87Å; R737-V790 VanDerWaalsContact CZ-CG2 3.46Å; R737-V790 PolarHBondContact N-O 2.9Å; R737-V790 PolarHBondContact O-N 3.05Å; Y739-V790 HydrophobicContact CD2-CG1 4.03Å; D743-V790 HydrophobicContact CB-CG1 4.35Å; V747-V790 HydrophobicContact CG2-CG1 3.99Å; V790-I797 HydrophobicContact CB-CD1 4.31Å; V790-I797 HydrophobicContact CB-CG2 4.2Å; V790-I797 HydrophobicContact CG1-CD1 4.42Å; V790-I797 HydrophobicContact CG2-CD1 4.21Å
791	L	92.5	Very high	89	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129	176.1	178.7	72.8	0	0	0	108.8	T735 I736 I797 C798 G799 I868 V872 V877 M881	T735-L791 WeakPolarHBondContact O-CA 3.3Å; I736-L791 HydrophobicContact CG1-CD1 3.75Å; L791-I797 CarbonylContact O-C 3.52Å; L791-I797 VanDerWaalsContact O-CA 3.29Å; L791-I797 WeakPolarHBondContact O-CA 3.22Å; L791-I797 WeakPolarHBondContact O-CG2 3.29Å; L791-C798 PolarHBondContact O-N 3.47Å; L791-G799 PolarHBondContact N-O 2.92Å; L791-G799 PolarHBondContact O-N 2.95Å; L791-I868 HydrophobicContact CD2-CG2 4.12Å; L791-V872 HydrophobicContact CD2-CG1 4.5Å; L791-V872 HydrophobicContact CD2-CG2 4.24Å; L791-V877 HydrophobicContact CD1-CG1 3.29Å; L791-V877 HydrophobicContact CD2-CG1 3.4Å; L791-V877 VanDerWaalsContact CD2-CG1 3.4Å; L791-V877 HydrophobicContact CG-CG1 3.96Å; L791-M881 HydrophobicContact CB-SD 3.87Å
792	E	90.9	Very high	89.3	Confident	53 Å²	53	29.4 Å²	29.4	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.2	178.3	64.2	-160	170.7	0	0	113	T735 R737 G796 I797	T735-E792 HydrophobicContact CG2-CG 4.42Å; T735-E792 PolarHBondContact N-O 3.38Å; T735-E792 PolarHBondContact O-N 3.28Å; R737-E792 WeakPolarHBondContact CD-OE1 3.5Å; R737-E792 IonicContact CZ-OE2 2.96Å; R737-E792 IonicContact NE-OE1 2.72Å; R737-E792 PolarHBondContact NE-OE1 3.39Å; R737-E792 IonicContact NE-OE2 2.68Å; R737-E792 PolarHBondContact NE-OE2 2.85Å; R737-E792 IonicContact NH2-OE2 2.63Å; R737-E792 PolarHBondContact NH2-OE2 3Å; E792-G796 WeakPolarHBondContact CA-O 3.07Å; E792-I797 HydrophobicContact CB-CG1 4.37Å
793	D	87.6	Confident	89.6	Confident	15 Å²	15	25.9 Å²	25.9	8%	0.08	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-177.1	168.9	65.9	23.4	0	0	0	110.6	K732 Y734 E795 G796 K871	K732-D793 WeakPolarHBondContact CE-OD2 3.35Å; K732-D793 IonicContact NZ-OD2 3.5Å; K732-D793 PolarHBondContact NZ-OD2 3.12Å; Y734-D793 HydrophobicContact CD1-CB 3.92Å; Y734-D793 HydrophobicContact CE1-CB 3.87Å; D793-E795 PolarHBondContact O-N 2.89Å; D793-E795 WeakPolarHBondContact OD1-CB 3.35Å; D793-E795 PolarHBondContact OD1-N 3.47Å; D793-E795 VanDerWaalsContact OD1-N 3.13Å; D793-G796 PolarHBondContact N-O 2.89Å; D793-G796 PolarHBondContact O-N 2.83Å; D793-K871 VanDerWaalsContact CG-NZ 3.3Å; D793-K871 IonicContact OD1-NZ 2.65Å; D793-K871 PolarHBondContact OD1-NZ 3.19Å; D793-K871 WeakPolarHBondContact OD2-CE 3.45Å; D793-K871 IonicContact OD2-NZ 2.64Å; D793-K871 PolarHBondContact OD2-NZ 2.85Å
794	D	81.4	Confident	89.9	Confident	134 Å²	134	25.6 Å²	25.6	72%	0.717	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10	-175.3	-50.2	-67.8	0	0	0	114.5
795	E	84.1	Confident	90	Very high	148 Å²	148	26.8 Å²	26.8	69%	0.692	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-5.1	177.3	-52.5	172.6	139.9	0	0	112.4	D793 K871	D793-E795 PolarHBondContact O-N 2.89Å; D793-E795 WeakPolarHBondContact OD1-CB 3.35Å; D793-E795 PolarHBondContact OD1-N 3.47Å; D793-E795 VanDerWaalsContact OD1-N 3.13Å; E795-K871 IonicContact OE2-NZ 3.66Å; E795-K871 PolarHBondContact OE2-NZ 2.58Å
796	G	87.5	Confident	90.1	Very high	33 Å²	33	27.7 Å²	27.7	34%	0.34	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	118.3	-156.1	-178.5	0	0	0	0	0	113.5	E792 D793	E792-G796 WeakPolarHBondContact CA-O 3.07Å; D793-G796 PolarHBondContact N-O 2.89Å; D793-G796 PolarHBondContact O-N 2.83Å
797	I	91.8	Very high	90.4	Very high	33 Å²	33	25.8 Å²	25.8	17%	0.169	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.5	-176.9	-62.2	176.1	0	0	0	110.1	D743 A746 I750 V790 L791 E792	D743-I797 HydrophobicContact CB-CD1 3.59Å; D743-I797 WeakPolarHBondContact OD1-CD1 3.39Å; A746-I797 HydrophobicContact CB-CB 4.05Å; A746-I797 HydrophobicContact CB-CD1 4.1Å; A746-I797 HydrophobicContact CB-CG2 4.44Å; I750-I797 HydrophobicContact CD1-CG2 3.82Å; V790-I797 HydrophobicContact CB-CD1 4.31Å; V790-I797 HydrophobicContact CB-CG2 4.2Å; V790-I797 HydrophobicContact CG1-CD1 4.42Å; V790-I797 HydrophobicContact CG2-CD1 4.21Å; L791-I797 CarbonylContact O-C 3.52Å; L791-I797 VanDerWaalsContact O-CA 3.29Å; L791-I797 WeakPolarHBondContact O-CA 3.22Å; L791-I797 WeakPolarHBondContact O-CG2 3.29Å; E792-I797 HydrophobicContact CB-CG1 4.37Å
798	C	92.5	Very high	90.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	4.4	-176.1	61.3	0	0	0	0	114.2	L791 H869 V872	L791-C798 PolarHBondContact O-N 3.47Å; C798-H869 VanDerWaalsContact O-CB 3.24Å; C798-H869 WeakPolarHBondContact O-CB 3.4Å; C798-H869 PolarHBondContact O-N 2.85Å; C798-V872 HydrophobicContact CB-CG2 4Å
799	G	92.9	Very high	90.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	170.1	170.2	0	0	0	0	0	112.7	L791 D867	L791-G799 PolarHBondContact N-O 2.92Å; L791-G799 PolarHBondContact O-N 2.95Å; G799-D867 CarbonylContact C-O 3.59Å; G799-D867 WeakPolarHBondContact CA-O 3.11Å
800	Y	94.9	Very high	89.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.1	176.7	62.3	-102.6	0	0	0	112.6	V747 I750 C751 V777 F789 L802 K865 V866 D867 M881	V747-Y800 HydrophobicContact CB-CD1 4.31Å; V747-Y800 HydrophobicContact CG1-CD1 3.74Å; V747-Y800 HydrophobicContact CG1-CD2 4.43Å; V747-Y800 HydrophobicContact CG1-CE1 3.95Å; V747-Y800 HydrophobicContact CG1-CG 3.98Å; V747-Y800 HydrophobicContact CG2-CD1 4.39Å; I750-Y800 HydrophobicContact CB-CD1 4.27Å; I750-Y800 HydrophobicContact CB-CE1 4.07Å; I750-Y800 HydrophobicContact CG2-CD1 4.08Å; I750-Y800 HydrophobicContact CG2-CE1 3.85Å; C751-Y800 HydrophobicContact CB-CE1 4.15Å; C751-Y800 VanDerWaalsContact CB-OH 3.3Å; C751-Y800 WeakPolarHBondContact CB-OH 3.43Å; C751-Y800 PolarHBondContact SG-OH 3.13Å; C751-Y800 VanDerWaalsContact SG-OH 3.34Å; V777-Y800 HydrophobicContact CG1-CE2 3.91Å; F789-Y800 WeakPolarHBondContact O-CA 3.14Å; Y800-L802 HydrophobicContact CD2-CD1 4.03Å; Y800-L802 HydrophobicContact CD2-CG 3.92Å; Y800-L802 HydrophobicContact CE2-CD1 4.24Å; Y800-K865 HydrophobicContact CE2-CG 4.34Å; Y800-V866 WeakPolarHBondContact O-CA 3.48Å; Y800-D867 HydrophobicContact CE1-CB 4.1Å; Y800-D867 HydrophobicContact CE2-CB 4.02Å; Y800-D867 WeakPolarHBondContact CE2-OD2 3.31Å; Y800-D867 PolarHBondContact N-O 3.41Å; Y800-D867 PolarHBondContact O-N 3.49Å; Y800-D867 PolarHBondContact OH-OD2 2.96Å; Y800-M881 WeakPolarHBondContact O-CE 2.91Å
801	A	94.6	Very high	89.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	117.6	170.4	0	0	0	0	0	109.5	G788 F789 V866 M881 L885	G788-A801 WeakPolarHBondContact CA-O 3.19Å; F789-A801 PolarHBondContact N-O 2.82Å; F789-A801 PolarHBondContact O-N 2.81Å; A801-V866 HydrophobicContact CB-CB 4.41Å; A801-V866 HydrophobicContact CB-CG1 4.08Å; A801-V866 HydrophobicContact CB-CG2 3.79Å; A801-M881 HydrophobicContact CB-CE 4.13Å; A801-M881 HydrophobicContact CB-CG 3.6Å; A801-M881 HydrophobicContact CB-SD 3.9Å; A801-L885 HydrophobicContact CB-CB 4.28Å; A801-L885 HydrophobicContact CB-CD2 4.02Å
802	L	94.8	Very high	89.4	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.7	-175.3	-53.5	175.1	0	0	0	110	V747 V777 L780 L781 Y800 I864 K865 L885	V747-L802 HydrophobicContact CG1-CD1 4.37Å; V777-L802 HydrophobicContact CB-CD1 3.71Å; V777-L802 HydrophobicContact CG1-CD1 3.75Å; L780-L802 HydrophobicContact CB-CB 4.35Å; L780-L802 HydrophobicContact CD1-CB 4.03Å; L781-L802 HydrophobicContact CD1-CD1 4.34Å; L781-L802 HydrophobicContact CD2-CD1 3.75Å; L781-L802 HydrophobicContact CD2-CD2 3.63Å; L781-L802 HydrophobicContact CD2-CG 4.36Å; L781-L802 HydrophobicContact CG-CD1 3.89Å; Y800-L802 HydrophobicContact CD2-CD1 4.03Å; Y800-L802 HydrophobicContact CD2-CG 3.92Å; Y800-L802 HydrophobicContact CE2-CD1 4.24Å; L802-I864 CarbonylContact O-C 3.6Å; L802-I864 WeakPolarHBondContact O-CA 3.38Å; L802-K865 PolarHBondContact N-O 2.72Å; L802-K865 PolarHBondContact O-N 2.96Å; L802-L885 WeakPolarHBondContact O-CD2 3.36Å
803	G	92.9	Very high	89.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-169.3	170.7	0	0	0	0	0	114.8	S784 Y787 L863	S784-G803 PolarHBondContact OG-O 3.37Å; Y787-G803 WeakPolarHBondContact CB-O 3.48Å; Y787-G803 PolarHBondContact O-N 3.45Å; Y787-G803 VanDerWaalsContact O-N 3.08Å; G803-L863 CarbonylContact C-O 3.53Å; G803-L863 WeakPolarHBondContact CA-O 3.07Å
804	T	91.9	Very high	89.1	Confident	13 Å²	13	46.7 Å²	46.7	8%	0.08	24%	0.24	C	C	.	.			trans	-150	146.3	173.6	-157.5	0	0	0	0	110.4	S784 F810 S862 L863 L889	S784-T804 WeakPolarHBondContact OG-CA 3.44Å; S784-T804 WeakPolarHBondContact OG-CB 3.37Å; S784-T804 PolarHBondContact OG-OG1 2.79Å; T804-F810 HydrophobicContact CG2-CB 3.75Å; T804-F810 HydrophobicContact CG2-CD1 4.21Å; T804-F810 HydrophobicContact CG2-CD2 4.32Å; T804-F810 HydrophobicContact CG2-CG 3.84Å; T804-S862 WeakPolarHBondContact O-CA 3.31Å; T804-S862 WeakPolarHBondContact O-CB 3.47Å; T804-S862 PolarHBondContact O-OG 2.86Å; T804-L863 HydrophobicContact CG2-CB 4.26Å; T804-L863 PolarHBondContact N-O 3.43Å; T804-L863 PolarHBondContact O-N 2.96Å; T804-L889 VanDerWaalsContact C-CD2 3.5Å
805	V	88	Confident	89.4	Confident	29 Å²	29	44.8 Å²	44.8	18%	0.176	23%	0.225	C	C	.	.	S	Bend	trans	-66.7	-43.5	-173.6	178.1	0	0	0	0	112.1	Y787 P861 S862 L889 N892	Y787-V805 HydrophobicContact CD1-CG2 4.06Å; Y787-V805 HydrophobicContact CD2-CG2 4.42Å; Y787-V805 HydrophobicContact CE1-CG2 3.42Å; Y787-V805 VanDerWaalsContact CE1-CG2 3.42Å; Y787-V805 HydrophobicContact CE2-CG2 3.85Å; V805-P861 CarbonylContact O-C 3.14Å; V805-S862 WeakPolarHBondContact O-CA 3.44Å; V805-S862 PolarHBondContact O-N 2.88Å; V805-S862 PolarHBondContact O-OG 3.3Å; V805-L889 HydrophobicContact CG2-CD2 3.99Å; V805-N892 HydrophobicContact CG1-CB 4.41Å; V805-N892 HydrophobicContact CG2-CB 3.79Å
806	D	86.8	Confident	89.6	Confident	58 Å²	58	44 Å²	44	31%	0.31	23%	0.225	S	C	.	.			trans	-136.9	122.4	177.6	178.4	-4.9	0	0	0	109	K808 P809 F810 P861	D806-K808 VanDerWaalsContact C-N 3.28Å; D806-K808 PolarHBondContact O-N 3.27Å; D806-K808 PolarHBondContact OD1-N 2.63Å; D806-P809 HydrophobicContact CB-CG 4.14Å; D806-P809 WeakPolarHBondContact O-CD 3.47Å; D806-P809 VanDerWaalsContact OD1-CD 3.26Å; D806-P809 WeakPolarHBondContact OD1-CD 3.43Å; D806-P809 WeakPolarHBondContact OD2-CD 3.27Å; D806-F810 WeakPolarHBondContact O-CB 3.29Å; D806-F810 PolarHBondContact O-N 3.04Å; D806-P861 WeakPolarHBondContact CA-O 3.48Å
807	V	88.4	Confident	89.5	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-22.7	-178.3	79.5	0	0	0	0	112.9	F810 I811 L857 P861 L863 F898	V807-F810 HydrophobicContact CG2-CD1 4.2Å; V807-F810 PolarHBondContact O-N 3.01Å; V807-I811 HydrophobicContact CG2-CD1 3.87Å; V807-I811 HydrophobicContact CG2-CG1 4.13Å; V807-I811 WeakPolarHBondContact O-CB 3.29Å; V807-I811 VanDerWaalsContact O-CG1 3.3Å; V807-I811 WeakPolarHBondContact O-CG1 3.42Å; V807-I811 PolarHBondContact O-N 2.85Å; V807-L857 HydrophobicContact CG1-CD1 3.79Å; V807-L857 HydrophobicContact CG1-CD2 3.51Å; V807-L857 HydrophobicContact CG1-CG 4.28Å; V807-P861 PolarHBondContact N-O 2.99Å; V807-L863 HydrophobicContact CB-CB 4.42Å; V807-L863 HydrophobicContact CG2-CB 3.98Å; V807-L863 HydrophobicContact CG2-CD2 4.31Å; V807-F898 HydrophobicContact CB-CZ 4.49Å; V807-F898 HydrophobicContact CG1-CE1 4.43Å; V807-F898 HydrophobicContact CG1-CZ 4.4Å; V807-F898 HydrophobicContact CG2-CZ 4.39Å
808	K	87.8	Confident	89.4	Confident	83 Å²	83	45 Å²	45	36%	0.361	23%	0.227	S	C	.	.	H	α-helix	trans	-73.5	-49.1	-177.1	-46.6	178.5	-165.4	-176.8	0	112.3	D806 F810 K812 D854 L857	D806-K808 VanDerWaalsContact C-N 3.28Å; D806-K808 PolarHBondContact O-N 3.27Å; D806-K808 PolarHBondContact OD1-N 2.63Å; K808-F810 VanDerWaalsContact C-N 3.28Å; K808-F810 PolarHBondContact O-N 2.87Å; K808-K812 WeakPolarHBondContact O-CB 3.48Å; K808-K812 PolarHBondContact O-N 3.18Å; K808-K812 VanDerWaalsContact O-N 3.1Å; K808-D854 WeakPolarHBondContact CE-OD1 3.48Å; K808-D854 IonicContact NZ-OD1 2.64Å; K808-D854 PolarHBondContact NZ-OD1 3.13Å; K808-L857 HydrophobicContact CD-CD1 4.32Å; K808-L857 HydrophobicContact CG-CD1 3.97Å
809	P	86.4	Confident	89.1	Confident	64 Å²	64	47.1 Å²	47.1	42%	0.416	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-36.2	168.8	-23.3	34.5	0	0	0	112.6	D806 K812 K813	D806-P809 HydrophobicContact CB-CG 4.14Å; D806-P809 WeakPolarHBondContact O-CD 3.47Å; D806-P809 VanDerWaalsContact OD1-CD 3.26Å; D806-P809 WeakPolarHBondContact OD1-CD 3.43Å; D806-P809 WeakPolarHBondContact OD2-CD 3.27Å; P809-K812 PolarHBondContact O-N 3.43Å; P809-K813 WeakPolarHBondContact O-CG 3.5Å; P809-K813 PolarHBondContact O-N 3.45Å
810	F	87.5	Confident	88.9	Confident	22 Å²	22	49.9 Å²	49.9	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-55.8	176.7	170.2	-103.5	0	0	0	111.9	G779 L780 V783 T804 D806 V807 K808 K812 K813 C814 L863	G779-F810 WeakPolarHBondContact O-CE2 3.34Å; L780-F810 HydrophobicContact CD2-CD2 4.43Å; L780-F810 HydrophobicContact CD2-CE1 4.23Å; L780-F810 HydrophobicContact CD2-CE2 3.76Å; L780-F810 HydrophobicContact CD2-CZ 3.64Å; L780-F810 HydrophobicContact CG-CE2 4.33Å; L780-F810 HydrophobicContact CG-CZ 3.97Å; V783-F810 HydrophobicContact CB-CD2 4.17Å; V783-F810 HydrophobicContact CB-CE2 4Å; V783-F810 HydrophobicContact CG1-CD2 3.9Å; V783-F810 HydrophobicContact CG1-CE2 4.21Å; T804-F810 HydrophobicContact CG2-CB 3.75Å; T804-F810 HydrophobicContact CG2-CD1 4.21Å; T804-F810 HydrophobicContact CG2-CD2 4.32Å; T804-F810 HydrophobicContact CG2-CG 3.84Å; D806-F810 WeakPolarHBondContact O-CB 3.29Å; D806-F810 PolarHBondContact O-N 3.04Å; V807-F810 HydrophobicContact CG2-CD1 4.2Å; V807-F810 PolarHBondContact O-N 3.01Å; K808-F810 VanDerWaalsContact C-N 3.28Å; K808-F810 PolarHBondContact O-N 2.87Å; F810-K812 PolarHBondContact O-N 2.93Å; F810-K813 PolarHBondContact O-N 3.47Å; F810-K813 VanDerWaalsContact O-N 3.07Å; F810-C814 VanDerWaalsContact CE2-SG 3.51Å; F810-C814 VanDerWaalsContact CZ-SG 3.54Å; F810-C814 PolarHBondContact O-N 3.07Å; F810-C814 PolarHBondContact O-SG 2.94Å; F810-C814 VanDerWaalsContact O-SG 3.32Å; F810-L863 HydrophobicContact CE1-CD2 4.34Å
811	I	86.9	Confident	88.6	Confident	74 Å²	74	55.3 Å²	55.3	38%	0.379	28%	0.28	S	S	.	.	H	α-helix	trans	-56.1	-41.1	176.5	-71.6	167.9	0	0	0	110.7	V807 C814 K815	V807-I811 HydrophobicContact CG2-CD1 3.87Å; V807-I811 HydrophobicContact CG2-CG1 4.13Å; V807-I811 WeakPolarHBondContact O-CB 3.29Å; V807-I811 VanDerWaalsContact O-CG1 3.3Å; V807-I811 WeakPolarHBondContact O-CG1 3.42Å; V807-I811 PolarHBondContact O-N 2.85Å; I811-C814 PolarHBondContact O-N 3.25Å; I811-K815 HydrophobicContact CG2-CD 4.35Å; I811-K815 HydrophobicContact CG2-CG 4.46Å; I811-K815 PolarHBondContact O-N 3.32Å
812	K	87.6	Confident	88.4	Confident	148 Å²	148	55.3 Å²	55.3	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-62.6	-42.3	177.1	-174.6	174.5	-179.8	176.7	0	112.7	K808 P809 F810 L816	K808-K812 WeakPolarHBondContact O-CB 3.48Å; K808-K812 PolarHBondContact O-N 3.18Å; K808-K812 VanDerWaalsContact O-N 3.1Å; P809-K812 PolarHBondContact O-N 3.43Å; F810-K812 PolarHBondContact O-N 2.93Å; K812-L816 HydrophobicContact CG-CD1 4.33Å; K812-L816 WeakPolarHBondContact O-CD1 3.14Å; K812-L816 VanDerWaalsContact O-CG 3.28Å; K812-L816 WeakPolarHBondContact O-CG 3.48Å; K812-L816 PolarHBondContact O-N 2.86Å
813	K	86.9	Confident	88	Confident	119 Å²	119	59 Å²	59	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-46.2	172.5	-72.9	-179.4	-176.4	-179.2	0	110.8	V783 P809 F810 K815 L816 S817	V783-K813 HydrophobicContact CG1-CB 3.37Å; V783-K813 HydrophobicContact CG1-CD 3.42Å; V783-K813 VanDerWaalsContact CG1-CD 3.42Å; V783-K813 HydrophobicContact CG1-CG 4.08Å; P809-K813 WeakPolarHBondContact O-CG 3.5Å; P809-K813 PolarHBondContact O-N 3.45Å; F810-K813 PolarHBondContact O-N 3.47Å; F810-K813 VanDerWaalsContact O-N 3.07Å; K813-K815 PolarHBondContact O-N 3.43Å; K813-L816 WeakPolarHBondContact O-CA 3.43Å; K813-L816 PolarHBondContact O-N 3.1Å; K813-S817 PolarHBondContact O-N 2.9Å; K813-S817 PolarHBondContact O-OG 2.82Å
814	C	86.2	Confident	87.7	Confident	12 Å²	12	66.2 Å²	66.2	8%	0.081	33%	0.331	C	S	.	.	I	π-helix	trans	-58.5	-44.9	179.7	-68.3	0	0	0	0	112.5	F810 I811 L816 S817 W818 I819	F810-C814 VanDerWaalsContact CE2-SG 3.51Å; F810-C814 VanDerWaalsContact CZ-SG 3.54Å; F810-C814 PolarHBondContact O-N 3.07Å; F810-C814 PolarHBondContact O-SG 2.94Å; F810-C814 VanDerWaalsContact O-SG 3.32Å; I811-C814 PolarHBondContact O-N 3.25Å; C814-L816 PolarHBondContact O-N 3.39Å; C814-S817 PolarHBondContact O-N 3.5Å; C814-W818 HydrophobicContact CB-CB 4.23Å; C814-W818 PolarHBondContact O-N 2.83Å; C814-I819 PolarHBondContact O-N 3.42Å
815	K	87.4	Confident	87.5	Confident	94 Å²	94	69.2 Å²	69.2	41%	0.409	34%	0.342	S	S	.	.	I	π-helix	trans	-63.5	-19.9	174	-73.7	-171.3	175.9	-176.4	0	113.9	I811 K813 E848	I811-K815 HydrophobicContact CG2-CD 4.35Å; I811-K815 HydrophobicContact CG2-CG 4.46Å; I811-K815 PolarHBondContact O-N 3.32Å; K813-K815 PolarHBondContact O-N 3.43Å; K815-E848 IonicContact NZ-OE1 2.67Å; K815-E848 PolarHBondContact NZ-OE1 3.07Å
816	L	87.1	Confident	87.5	Confident	131 Å²	131	68.1 Å²	68.1	69%	0.686	34%	0.335	S	S	*	.	I	π-helix	trans	-95.2	-27.7	179.7	-71.8	170.2	0	0	0	114.3	K812 K813 C814	K812-L816 HydrophobicContact CG-CD1 4.33Å; K812-L816 WeakPolarHBondContact O-CD1 3.14Å; K812-L816 VanDerWaalsContact O-CG 3.28Å; K812-L816 WeakPolarHBondContact O-CG 3.48Å; K812-L816 PolarHBondContact O-N 2.86Å; K813-L816 WeakPolarHBondContact O-CA 3.43Å; K813-L816 PolarHBondContact O-N 3.1Å; C814-L816 PolarHBondContact O-N 3.39Å
817	S	87.2	Confident	87.3	Confident	68 Å²	68	72.9 Å²	72.9	48%	0.476	36%	0.355	S	S	.	.	I	π-helix	trans	-132.9	-38.7	-174.9	66	0	0	0	0	115.6	K813 C814	K813-S817 PolarHBondContact O-N 2.9Å; K813-S817 PolarHBondContact O-OG 2.82Å; C814-S817 PolarHBondContact O-N 3.5Å
818	W	88.1	Confident	87.1	Confident	19 Å²	19	78 Å²	78	7%	0.072	38%	0.377	C	S	.	.	I	π-helix	trans	-80	-50.1	-176.7	-176.1	-111.9	0	0	0	112	D774 G778 T782 V783 C814 F821 M822	D774-W818 HydrophobicContact CB-CZ2 4.16Å; D774-W818 WeakPolarHBondContact O-CZ2 3.18Å; D774-W818 WeakPolarHBondContact OD1-CH2 3.41Å; G778-W818 VanDerWaalsContact C-CZ2 3.46Å; T782-W818 HydrophobicContact CG2-CE3 3.94Å; T782-W818 HydrophobicContact CG2-CZ3 4.19Å; T782-W818 WeakPolarHBondContact OG1-CZ3 3.42Å; V783-W818 HydrophobicContact CG2-CB 4.43Å; C814-W818 HydrophobicContact CB-CB 4.23Å; C814-W818 PolarHBondContact O-N 2.83Å; W818-F821 HydrophobicContact CE3-CD1 4.34Å; W818-F821 HydrophobicContact CZ3-CD1 4.12Å; W818-F821 HydrophobicContact CZ3-CE1 4.37Å; W818-F821 PolarHBondContact O-N 3.18Å; W818-M822 HydrophobicContact CD2-CG 4.15Å; W818-M822 HydrophobicContact CG-CG 4.41Å; W818-M822 HydrophobicContact CH2-CE 3.57Å; W818-M822 HydrophobicContact CH2-SD 4.18Å; W818-M822 HydrophobicContact CZ2-CE 3.66Å; W818-M822 HydrophobicContact CZ2-CG 3.97Å; W818-M822 HydrophobicContact CZ2-SD 3.63Å; W818-M822 HydrophobicContact CZ3-CE 4.03Å; W818-M822 WeakPolarHBondContact O-CG 3.05Å; W818-M822 PolarHBondContact O-N 2.95Å
819	I	87.8	Confident	86.7	Confident	45 Å²	45	74.9 Å²	74.9	23%	0.231	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-45.5	-177.2	-62.2	-61.9	0	0	0	112.1	C814 F821 M822 Q823 F845	C814-I819 PolarHBondContact O-N 3.42Å; I819-F821 VanDerWaalsContact C-N 3.31Å; I819-F821 PolarHBondContact O-N 3.28Å; I819-M822 PolarHBondContact O-N 3.35Å; I819-Q823 HydrophobicContact CG2-CG 4.29Å; I819-Q823 VanDerWaalsContact O-CG 3.28Å; I819-Q823 WeakPolarHBondContact O-CG 3.26Å; I819-Q823 PolarHBondContact O-N 2.91Å; I819-F845 HydrophobicContact CD1-CD1 4.16Å; I819-F845 WeakPolarHBondContact CG2-O 3.43Å
820	P	88.7	Confident	86.1	Confident	59 Å²	59	78.1 Å²	78.1	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-38.5	175.5	-25	35.7	0	0	0	113.5	Q823 E824	P820-Q823 PolarHBondContact O-N 2.82Å; P820-E824 PolarHBondContact O-N 2.92Å; P820-E824 VanDerWaalsContact O-N 3.1Å
821	F	88	Confident	84.9	Confident	113 Å²	113	80.8 Å²	80.8	50%	0.496	40%	0.4	S	S	.	.	H	α-helix	trans	-68.4	-38.3	177	178.2	-116.4	0	0	0	112.1	W818 I819 E824 K825	W818-F821 HydrophobicContact CE3-CD1 4.34Å; W818-F821 HydrophobicContact CZ3-CD1 4.12Å; W818-F821 HydrophobicContact CZ3-CE1 4.37Å; W818-F821 PolarHBondContact O-N 3.18Å; I819-F821 VanDerWaalsContact C-N 3.31Å; I819-F821 PolarHBondContact O-N 3.28Å; F821-E824 PolarHBondContact O-N 3.2Å; F821-K825 PolarHBondContact O-N 2.87Å
822	M	89.6	Confident	83.7	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-67.6	-34.4	172.5	-69.4	-65.7	103.4	0	0	113	D774 W818 I819 E824 K825 Y826 F845	D774-M822 HydrophobicContact CB-CE 4.5Å; D774-M822 HydrophobicContact CB-SD 3.66Å; W818-M822 HydrophobicContact CD2-CG 4.15Å; W818-M822 HydrophobicContact CG-CG 4.41Å; W818-M822 HydrophobicContact CH2-CE 3.57Å; W818-M822 HydrophobicContact CH2-SD 4.18Å; W818-M822 HydrophobicContact CZ2-CE 3.66Å; W818-M822 HydrophobicContact CZ2-CG 3.97Å; W818-M822 HydrophobicContact CZ2-SD 3.63Å; W818-M822 HydrophobicContact CZ3-CE 4.03Å; W818-M822 WeakPolarHBondContact O-CG 3.05Å; W818-M822 PolarHBondContact O-N 2.95Å; I819-M822 PolarHBondContact O-N 3.35Å; M822-E824 VanDerWaalsContact C-N 3.29Å; M822-E824 PolarHBondContact O-N 3.11Å; M822-K825 HydrophobicContact CE-CB 4.44Å; M822-K825 HydrophobicContact CE-CD 3.98Å; M822-K825 PolarHBondContact O-N 3.04Å; M822-Y826 WeakPolarHBondContact O-CB 3.35Å; M822-Y826 PolarHBondContact O-N 3.35Å; M822-Y826 HydrophobicContact SD-CD2 4.12Å; M822-Y826 HydrophobicContact SD-CE2 3.91Å; M822-F845 HydrophobicContact CB-CB 4.27Å; M822-F845 HydrophobicContact CB-CD1 3.74Å; M822-F845 HydrophobicContact CB-CD2 4.23Å; M822-F845 HydrophobicContact CB-CE1 4.01Å; M822-F845 HydrophobicContact CB-CE2 4.48Å; M822-F845 HydrophobicContact CB-CG 3.86Å; M822-F845 HydrophobicContact CB-CZ 4.36Å; M822-F845 HydrophobicContact CG-CD1 3.98Å; M822-F845 HydrophobicContact CG-CE1 3.75Å; M822-F845 HydrophobicContact CG-CZ 4.1Å; M822-F845 HydrophobicContact SD-CE1 4.18Å; M822-F845 HydrophobicContact SD-CE2 4.39Å; M822-F845 HydrophobicContact SD-CZ 3.93Å
823	Q	87.3	Confident	82.6	Confident	80 Å²	80	87 Å²	87	37%	0.374	43%	0.427	S	S	.	.	H	α-helix	trans	-70.3	-23.7	174.3	-69.9	173.4	-5.1	0	0	113	I819 P820 F845	I819-Q823 HydrophobicContact CG2-CG 4.29Å; I819-Q823 VanDerWaalsContact O-CG 3.28Å; I819-Q823 WeakPolarHBondContact O-CG 3.26Å; I819-Q823 PolarHBondContact O-N 2.91Å; P820-Q823 PolarHBondContact O-N 2.82Å; Q823-F845 PolarHBondContact NE2-O 3.38Å
824	E	87.2	Confident	81.7	Confident	154 Å²	154	89.5 Å²	89.5	72%	0.72	45%	0.446	S	S	*	.	H	α-helix	trans	-82.1	-38.6	170.6	-173.3	172.9	-163.7	0	0	112	P820 F821 M822	P820-E824 PolarHBondContact O-N 2.92Å; P820-E824 VanDerWaalsContact O-N 3.1Å; F821-E824 PolarHBondContact O-N 3.2Å; M822-E824 VanDerWaalsContact C-N 3.29Å; M822-E824 PolarHBondContact O-N 3.11Å
825	K	87.8	Confident	81.1	Confident	76 Å²	76	90.4 Å²	90.4	33%	0.33	45%	0.45	S	S	.	.	H	α-helix	trans	-67.4	-43.8	175.3	-170.6	175.6	179.8	-173.6	0	112.1	D770 D774 F821 M822	D770-K825 IonicContact OD2-NZ 3.52Å; D770-K825 PolarHBondContact OD2-NZ 2.85Å; D774-K825 IonicContact OD2-NZ 2.88Å; D774-K825 PolarHBondContact OD2-NZ 2.69Å; F821-K825 PolarHBondContact O-N 2.87Å; M822-K825 HydrophobicContact CE-CB 4.44Å; M822-K825 HydrophobicContact CE-CD 3.98Å; M822-K825 PolarHBondContact O-N 3.04Å
826	Y	87	Confident	80.6	Confident	5 Å²	5	88.6 Å²	88.6	2%	0.02	45%	0.449	C	S	.	.	S	Bend	trans	-120.1	111.8	-172.9	-59.8	-71.3	0	0	0	112	E768 L771 D774 M822 I842 F845 H846	E768-Y826 HydrophobicContact CB-CE1 4.42Å; E768-Y826 VanDerWaalsContact CD-CE1 3.49Å; E768-Y826 HydrophobicContact CG-CE1 4.24Å; E768-Y826 WeakPolarHBondContact OE2-CD1 3.19Å; E768-Y826 WeakPolarHBondContact OE2-CE1 3.48Å; L771-Y826 WeakPolarHBondContact CA-OH 3.36Å; L771-Y826 HydrophobicContact CB-CE1 4.39Å; L771-Y826 HydrophobicContact CD1-CD1 4.12Å; L771-Y826 HydrophobicContact CD1-CD2 4.27Å; L771-Y826 HydrophobicContact CD1-CE1 3.88Å; L771-Y826 HydrophobicContact CD1-CE2 4.02Å; L771-Y826 HydrophobicContact CD1-CG 4.32Å; L771-Y826 PolarHBondContact N-OH 2.99Å; D774-Y826 HydrophobicContact CB-CE2 4.3Å; D774-Y826 PolarHBondContact OD2-OH 3.29Å; D774-Y826 VanDerWaalsContact OD2-OH 3.08Å; M822-Y826 WeakPolarHBondContact O-CB 3.35Å; M822-Y826 PolarHBondContact O-N 3.35Å; M822-Y826 HydrophobicContact SD-CD2 4.12Å; M822-Y826 HydrophobicContact SD-CE2 3.91Å; Y826-I842 HydrophobicContact CD1-CD1 4.46Å; Y826-I842 HydrophobicContact CD1-CG1 4.29Å; Y826-I842 HydrophobicContact CG-CG1 4.4Å; Y826-F845 HydrophobicContact CD2-CD2 4.27Å; Y826-F845 AromaticContact CD2-CE2 3.92Å; Y826-F845 HydrophobicContact CD2-CE2 3.92Å; Y826-F845 HydrophobicContact CE2-CE2 4.29Å; Y826-H846 PolarHBondContact O-NE2 2.83Å
827	H	83.4	Confident	80	Confident	158 Å²	158	86.1 Å²	86.1	73%	0.731	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-71.5	142.3	-179.1	-69.3	65.2	0	0	0	111.2	I842	H827-I842 VanDerWaalsContact O-CG2 3.3Å; H827-I842 WeakPolarHBondContact O-CG2 3.4Å
828	K	82.7	Confident	79.6	Confident	114 Å²	114	84.1 Å²	84.1	50%	0.496	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-63.3	128.2	-179.4	-176.4	171.7	178.6	161.7	0	111.3	L843 H846	K828-L843 HydrophobicContact CD-CD1 4.46Å; K828-L843 HydrophobicContact CG-CD1 4.37Å; K828-H846 HydrophobicContact CD-CB 4.16Å; K828-H846 HydrophobicContact CG-CB 4.38Å
829	P	79.9	Confident	79.2	Confident	18 Å²	18	86.5 Å²	86.5	12%	0.117	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-75.2	153.4	177.9	30.5	-36.5	0	0	0	112.9	C831 L835 E839 L843	P829-C831 PolarHBondContact O-N 2.89Å; P829-C831 PolarHBondContact O-SG 2.9Å; P829-L835 HydrophobicContact CB-CD2 4.33Å; P829-E839 HydrophobicContact CB-CB 4.09Å; P829-E839 HydrophobicContact CB-CG 4.06Å; P829-E839 HydrophobicContact CG-CB 4.12Å; P829-L843 HydrophobicContact CG-CB 4.19Å
830	D	74.1	Confident	78.9	Confident	131 Å²	131	89 Å²	89	70%	0.701	44%	0.442	S	S	*	.			trans	-70.7	110.1	177.1	-76.4	-38.4	0	0	0	111.2	E832	D830-E832 PolarHBondContact O-N 3.38Å
831	C	63.1	Low	78.5	Confident	79 Å²	79	86.9 Å²	86.9	53%	0.534	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	19.9	-174.4	-45.2	0	0	0	0	115	P829	P829-C831 PolarHBondContact O-N 2.89Å; P829-C831 PolarHBondContact O-SG 2.9Å
832	E	59.8	Low	78.4	Confident	189 Å²	189	82.2 Å²	82.2	88%	0.883	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	9.8	-178.1	-62.1	-164.2	159.7	0	0	113.8	D830	D830-E832 PolarHBondContact O-N 3.38Å
833	K	65.3	Low	78.1	Confident	163 Å²	163	83 Å²	83	71%	0.709	41%	0.412	S	S	*	.	S	Bend	trans	-135.3	164.6	-179.7	-64.5	175.8	-172.1	161	0	111.4	L835	K833-L835 PolarHBondContact O-N 2.98Å
834	D	68.8	Low	77.9	Confident	171 Å²	171	80.7 Å²	80.7	91%	0.914	40%	0.404	S	S	*	.			trans	-61.1	105.5	162.1	-66.5	-55.3	0	0	0	109.3
835	L	72.7	Confident	77.8	Confident	32 Å²	32	73.5 Å²	73.5	17%	0.168	37%	0.371	C	S	.	.			trans	-70.9	138.3	-177.8	-60.5	176.1	0	0	0	111	P829 K833 E839 K840 L843	P829-L835 HydrophobicContact CB-CD2 4.33Å; K833-L835 PolarHBondContact O-N 2.98Å; L835-E839 HydrophobicContact CB-CB 4.04Å; L835-E839 HydrophobicContact CD2-CB 4.09Å; L835-K840 HydrophobicContact CB-CG 4Å; L835-K840 WeakPolarHBondContact O-CE 3.3Å; L835-L843 HydrophobicContact CD1-CD2 3.71Å
836	S	77.7	Confident	77.6	Confident	55 Å²	55	72.4 Å²	72.4	39%	0.385	37%	0.366	S	S	.	.			trans	-65.6	162.7	167	63.8	0	0	0	0	111.9	A838 E839 K840	S836-A838 PolarHBondContact O-N 3.18Å; S836-E839 VanDerWaalsContact CB-OE2 3.26Å; S836-E839 WeakPolarHBondContact CB-OE2 3.43Å; S836-E839 PolarHBondContact N-OE2 2.92Å; S836-E839 PolarHBondContact O-N 2.84Å; S836-E839 VanDerWaalsContact O-N 3.15Å; S836-E839 WeakPolarHBondContact OG-CG 3.42Å; S836-E839 PolarHBondContact OG-N 2.86Å; S836-E839 PolarHBondContact OG-OE2 3.14Å; S836-K840 WeakPolarHBondContact O-CG 3.45Å; S836-K840 PolarHBondContact O-N 2.89Å
837	E	74.4	Confident	77.4	Confident	80 Å²	80	77.8 Å²	77.8	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-30.8	175.1	-69.1	-60.2	113.9	0	0	112.7	F764 K840 M841	F764-E837 HydrophobicContact CE1-CB 4.36Å; F764-E837 HydrophobicContact CZ-CB 3.87Å; E837-K840 WeakPolarHBondContact OE1-CD 3.49Å; E837-K840 IonicContact OE1-NZ 2.66Å; E837-K840 PolarHBondContact OE1-NZ 2.91Å; E837-M841 WeakPolarHBondContact O-CG 3.18Å; E837-M841 PolarHBondContact O-N 2.88Å; E837-M841 VanDerWaalsContact O-N 3.08Å
838	A	77.5	Confident	76.7	Confident	25 Å²	25	77.7 Å²	77.7	21%	0.207	39%	0.392	C	S	.	.	H	α-helix	trans	-66.4	-49.4	172.5	0	0	0	0	0	111.6	F764 L771 S836 K840 M841 I842	F764-A838 HydrophobicContact CD1-CB 3.99Å; F764-A838 HydrophobicContact CE1-CB 4.11Å; L771-A838 HydrophobicContact CD2-CB 3.95Å; S836-A838 PolarHBondContact O-N 3.18Å; A838-K840 VanDerWaalsContact C-N 3.29Å; A838-K840 PolarHBondContact O-N 2.96Å; A838-M841 WeakPolarHBondContact O-CB 3.43Å; A838-M841 PolarHBondContact O-N 3.06Å; A838-M841 VanDerWaalsContact O-N 3.1Å; A838-I842 WeakPolarHBondContact O-CG1 3.16Å; A838-I842 PolarHBondContact O-N 2.83Å
839	E	80.7	Confident	76	Confident	69 Å²	69	76.8 Å²	76.8	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-33.3	177.7	-70.5	161.4	122.1	0	0	112.2	P829 L835 S836 I842 L843	P829-E839 HydrophobicContact CB-CB 4.09Å; P829-E839 HydrophobicContact CB-CG 4.06Å; P829-E839 HydrophobicContact CG-CB 4.12Å; L835-E839 HydrophobicContact CB-CB 4.04Å; L835-E839 HydrophobicContact CD2-CB 4.09Å; S836-E839 VanDerWaalsContact CB-OE2 3.26Å; S836-E839 WeakPolarHBondContact CB-OE2 3.43Å; S836-E839 PolarHBondContact N-OE2 2.92Å; S836-E839 PolarHBondContact O-N 2.84Å; S836-E839 VanDerWaalsContact O-N 3.15Å; S836-E839 WeakPolarHBondContact OG-CG 3.42Å; S836-E839 PolarHBondContact OG-N 2.86Å; S836-E839 PolarHBondContact OG-OE2 3.14Å; E839-I842 PolarHBondContact O-N 3.25Å; E839-L843 VanDerWaalsContact O-CB 3.26Å; E839-L843 WeakPolarHBondContact O-CB 3.3Å; E839-L843 PolarHBondContact O-N 3.08Å
840	K	80.9	Confident	75.3	Confident	98 Å²	98	84 Å²	84	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-41.7	171	-68.6	172.5	-163.6	162	0	112.3	L835 S836 E837 A838 L843 S844	L835-K840 HydrophobicContact CB-CG 4Å; L835-K840 WeakPolarHBondContact O-CE 3.3Å; S836-K840 WeakPolarHBondContact O-CG 3.45Å; S836-K840 PolarHBondContact O-N 2.89Å; E837-K840 WeakPolarHBondContact OE1-CD 3.49Å; E837-K840 IonicContact OE1-NZ 2.66Å; E837-K840 PolarHBondContact OE1-NZ 2.91Å; A838-K840 VanDerWaalsContact C-N 3.29Å; A838-K840 PolarHBondContact O-N 2.96Å; K840-L843 PolarHBondContact O-N 3.34Å; K840-S844 PolarHBondContact O-N 3.06Å; K840-S844 VanDerWaalsContact O-N 3.11Å
841	M	81.2	Confident	75.1	Confident	14 Å²	14	80.7 Å²	80.7	7%	0.069	42%	0.419	C	S	.	.	H	α-helix	trans	-60.9	-47.4	173.1	-73.1	-171.1	-166.1	0	0	111.2	Y755 F764 L771 I772 E837 A838 S844	Y755-M841 HydrophobicContact CE1-CE 3.82Å; Y755-M841 HydrophobicContact CE2-CE 3.74Å; Y755-M841 WeakPolarHBondContact OH-CE 3.43Å; F764-M841 HydrophobicContact CE1-CE 3.9Å; F764-M841 HydrophobicContact CE1-SD 4.23Å; F764-M841 HydrophobicContact CZ-CE 3.77Å; L771-M841 HydrophobicContact CD1-CB 4.36Å; L771-M841 HydrophobicContact CD2-CB 4.24Å; L771-M841 HydrophobicContact CG-CB 4.25Å; L771-M841 HydrophobicContact CG-SD 4.33Å; I772-M841 HydrophobicContact CG1-CE 4.1Å; I772-M841 HydrophobicContact CG1-SD 4.03Å; E837-M841 WeakPolarHBondContact O-CG 3.18Å; E837-M841 PolarHBondContact O-N 2.88Å; E837-M841 VanDerWaalsContact O-N 3.08Å; A838-M841 WeakPolarHBondContact O-CB 3.43Å; A838-M841 PolarHBondContact O-N 3.06Å; A838-M841 VanDerWaalsContact O-N 3.1Å; M841-S844 PolarHBondContact O-N 3.42Å; M841-S844 PolarHBondContact O-OG 2.9Å
842	I	84.2	Confident	75.9	Confident	15 Å²	15	78 Å²	78	8%	0.077	40%	0.399	C	S	.	.	H	α-helix	trans	-60	-49.7	178.4	-64.6	166.6	0	0	0	110.7	L771 Y826 H827 A838 E839 S844 F845 H846	L771-I842 HydrophobicContact CD1-CG1 3.74Å; L771-I842 HydrophobicContact CD2-CD1 4.35Å; L771-I842 HydrophobicContact CD2-CG1 4.03Å; Y826-I842 HydrophobicContact CD1-CD1 4.46Å; Y826-I842 HydrophobicContact CD1-CG1 4.29Å; Y826-I842 HydrophobicContact CG-CG1 4.4Å; H827-I842 VanDerWaalsContact O-CG2 3.3Å; H827-I842 WeakPolarHBondContact O-CG2 3.4Å; A838-I842 WeakPolarHBondContact O-CG1 3.16Å; A838-I842 PolarHBondContact O-N 2.83Å; E839-I842 PolarHBondContact O-N 3.25Å; I842-S844 PolarHBondContact O-N 2.89Å; I842-F845 WeakPolarHBondContact O-CB 3.31Å; I842-F845 PolarHBondContact O-N 3.29Å; I842-H846 PolarHBondContact O-CD2 3.12Å
843	L	84.8	Confident	76.9	Confident	18 Å²	18	71 Å²	71	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-55.1	-37.1	178.9	180	61	0	0	0	111.8	K828 P829 L835 E839 K840 F845 H846 E847	K828-L843 HydrophobicContact CD-CD1 4.46Å; K828-L843 HydrophobicContact CG-CD1 4.37Å; P829-L843 HydrophobicContact CG-CB 4.19Å; L835-L843 HydrophobicContact CD1-CD2 3.71Å; E839-L843 VanDerWaalsContact O-CB 3.26Å; E839-L843 WeakPolarHBondContact O-CB 3.3Å; E839-L843 PolarHBondContact O-N 3.08Å; K840-L843 PolarHBondContact O-N 3.34Å; L843-F845 PolarHBondContact O-N 2.86Å; L843-F845 VanDerWaalsContact O-N 3.15Å; L843-H846 CarbonylContact O-C 3.57Å; L843-H846 WeakPolarHBondContact O-CA 3.29Å; L843-H846 WeakPolarHBondContact O-CB 3.17Å; L843-H846 PolarHBondContact O-N 2.8Å; L843-E847 HydrophobicContact CD1-CG 4.15Å; L843-E847 HydrophobicContact CG-CG 4.17Å; L843-E847 PolarHBondContact O-N 2.68Å
844	S	83.5	Confident	77.7	Confident	31 Å²	31	68.7 Å²	68.7	22%	0.217	37%	0.365	C	S	.	.	H	α-helix	trans	-69.5	-5.2	178.3	78.1	0	0	0	0	115.7	R775 K840 M841 I842	R775-S844 PolarHBondContact NE-OG 3.11Å; K840-S844 PolarHBondContact O-N 3.06Å; K840-S844 VanDerWaalsContact O-N 3.11Å; M841-S844 PolarHBondContact O-N 3.42Å; M841-S844 PolarHBondContact O-OG 2.9Å; I842-S844 PolarHBondContact O-N 2.89Å
845	F	84.3	Confident	78.3	Confident	3 Å²	3	64.4 Å²	64.4	1%	0.013	35%	0.349	C	S	.	.	H	α-helix	trans	-86.6	-19.1	163	-62.6	-62.7	0	0	0	113	L771 D774 R775 I819 M822 Q823 Y826 I842 L843	L771-F845 HydrophobicContact CD1-CE2 3.99Å; D774-F845 HydrophobicContact CB-CZ 4.3Å; R775-F845 HydrophobicContact CB-CE1 4.33Å; R775-F845 HydrophobicContact CB-CE2 4.45Å; R775-F845 HydrophobicContact CB-CZ 3.76Å; R775-F845 HydrophobicContact CG-CZ 4.36Å; I819-F845 HydrophobicContact CD1-CD1 4.16Å; I819-F845 WeakPolarHBondContact CG2-O 3.43Å; M822-F845 HydrophobicContact CB-CB 4.27Å; M822-F845 HydrophobicContact CB-CD1 3.74Å; M822-F845 HydrophobicContact CB-CD2 4.23Å; M822-F845 HydrophobicContact CB-CE1 4.01Å; M822-F845 HydrophobicContact CB-CE2 4.48Å; M822-F845 HydrophobicContact CB-CG 3.86Å; M822-F845 HydrophobicContact CB-CZ 4.36Å; M822-F845 HydrophobicContact CG-CD1 3.98Å; M822-F845 HydrophobicContact CG-CE1 3.75Å; M822-F845 HydrophobicContact CG-CZ 4.1Å; M822-F845 HydrophobicContact SD-CE1 4.18Å; M822-F845 HydrophobicContact SD-CE2 4.39Å; M822-F845 HydrophobicContact SD-CZ 3.93Å; Q823-F845 PolarHBondContact NE2-O 3.38Å; Y826-F845 HydrophobicContact CD2-CD2 4.27Å; Y826-F845 AromaticContact CD2-CE2 3.92Å; Y826-F845 HydrophobicContact CD2-CE2 3.92Å; Y826-F845 HydrophobicContact CE2-CE2 4.29Å; I842-F845 WeakPolarHBondContact O-CB 3.31Å; I842-F845 PolarHBondContact O-N 3.29Å; L843-F845 PolarHBondContact O-N 2.86Å; L843-F845 VanDerWaalsContact O-N 3.15Å
846	H	84.1	Confident	78.9	Confident	52 Å²	52	63.1 Å²	63.1	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-99.7	-2	-179.8	-67.2	-91.5	0	0	0	113.2	Y826 K828 I842 L843	Y826-H846 PolarHBondContact O-NE2 2.83Å; K828-H846 HydrophobicContact CD-CB 4.16Å; K828-H846 HydrophobicContact CG-CB 4.38Å; I842-H846 PolarHBondContact O-CD2 3.12Å; L843-H846 CarbonylContact O-C 3.57Å; L843-H846 WeakPolarHBondContact O-CA 3.29Å; L843-H846 WeakPolarHBondContact O-CB 3.17Å; L843-H846 PolarHBondContact O-N 2.8Å
847	E	81.7	Confident	79.2	Confident	118 Å²	118	61.1 Å²	61.1	55%	0.551	33%	0.327	S	S	*	.	S	Bend	trans	-111	156.8	178	-67.3	-176.7	156.5	0	0	111.6	L843	L843-E847 HydrophobicContact CD1-CG 4.15Å; L843-E847 HydrophobicContact CG-CG 4.17Å; L843-E847 PolarHBondContact O-N 2.68Å
848	E	68.8	Low	79.7	Confident	157 Å²	157	60.3 Å²	60.3	73%	0.734	33%	0.33	S	S	*	.			trans	-93.3	101.8	-179.5	-178.3	149.2	-132.4	0	0	111.1	K815 E850	K815-E848 IonicContact NZ-OE1 2.67Å; K815-E848 PolarHBondContact NZ-OE1 3.07Å; E848-E850 PolarHBondContact O-N 3.4Å
849	E	68.3	Low	80	Confident	95 Å²	95	63.7 Å²	63.7	44%	0.444	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-61.8	127.3	178.2	-164.6	176.4	141.9	0	0	111.4	R775 K900	R775-E849 IonicContact CZ-OE2 3.17Å; R775-E849 IonicContact NH1-OE2 3.26Å; R775-E849 IonicContact NH2-OE2 3.58Å; R775-E849 PolarHBondContact NH2-OE2 3.39Å; E849-K900 IonicContact OE1-NZ 2.77Å; E849-K900 PolarHBondContact OE1-NZ 3.36Å
850	E	66.4	Low	80.4	Confident	168 Å²	168	61.4 Å²	61.4	79%	0.785	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-63.4	140.8	179.3	-68.2	-170.3	144.2	0	0	112.1	E848	E848-E850 PolarHBondContact O-N 3.4Å
851	G	68.8	Low	80.8	Confident	63 Å²	63	57.6 Å²	57.6	65%	0.649	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-80.8	142.4	-178.2	0	0	0	0	0	113.1
852	L	79.8	Confident	81.3	Confident	22 Å²	22	57 Å²	57	12%	0.115	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.6	147.9	173.4	-64	173.5	0	0	0	111.4	F856 L857 F898 F926 I932	L852-F856 HydrophobicContact CB-CD1 4.3Å; L852-F856 HydrophobicContact CD1-CD1 4.32Å; L852-F856 HydrophobicContact CD1-CE1 4Å; L852-L857 HydrophobicContact CB-CD1 4.15Å; L852-L857 HydrophobicContact CB-CD2 4.24Å; L852-L857 HydrophobicContact CB-CG 4.16Å; L852-L857 HydrophobicContact CD1-CD2 4.35Å; L852-F898 HydrophobicContact CD1-CD2 4.42Å; L852-F898 HydrophobicContact CD1-CE2 3.49Å; L852-F898 VanDerWaalsContact CD1-CE2 3.49Å; L852-F898 HydrophobicContact CD1-CZ 3.58Å; L852-F926 HydrophobicContact CD2-CD1 4.14Å; L852-F926 HydrophobicContact CD2-CE1 4.11Å; L852-I932 HydrophobicContact CD1-CD1 4.02Å; L852-I932 HydrophobicContact CD2-CD1 3.71Å
853	P	81.3	Confident	81.7	Confident	41 Å²	41	57.9 Å²	57.9	27%	0.266	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-57.8	139.2	-176.8	-28.4	36.8	0	0	0	114.5	S855 F856 L857 F926	P853-S855 PolarHBondContact O-N 2.95Å; P853-F856 HydrophobicContact CB-CB 4.5Å; P853-F856 WeakPolarHBondContact O-CB 3.5Å; P853-F856 PolarHBondContact O-N 2.97Å; P853-L857 PolarHBondContact O-N 3.27Å; P853-F926 HydrophobicContact CG-CD2 4.45Å; P853-F926 HydrophobicContact CG-CE2 3.78Å; P853-F926 HydrophobicContact CG-CZ 4.3Å
854	D	81.9	Confident	82.2	Confident	115 Å²	115	57.1 Å²	57.1	62%	0.615	32%	0.317	S	S	*	.	H	α-helix	trans	-58.2	-32.1	-179.6	-84.6	-36	0	0	0	113.6	K808 L857 S858	K808-D854 WeakPolarHBondContact CE-OD1 3.48Å; K808-D854 IonicContact NZ-OD1 2.64Å; K808-D854 PolarHBondContact NZ-OD1 3.13Å; D854-L857 PolarHBondContact O-N 2.89Å; D854-S858 PolarHBondContact O-N 3.46Å
855	S	81.3	Confident	82.6	Confident	82 Å²	82	57.9 Å²	57.9	57%	0.573	32%	0.316	S	S	*	.	H	α-helix	trans	-72.4	-25.8	176.5	51.7	0	0	0	0	114.1	P853 S858	P853-S855 PolarHBondContact O-N 2.95Å; S855-S858 PolarHBondContact O-OG 3.24Å; S855-S858 VanDerWaalsContact O-OG 3.04Å
856	F	84.8	Confident	83	Confident	5 Å²	5	57.8 Å²	57.8	2%	0.022	32%	0.316	C	S	.	.	H	α-helix	trans	-76.7	-46.3	169.5	168.3	-96.3	0	0	0	109.7	L852 P853 S858 N859 F860 F898 V920 F926 I932	L852-F856 HydrophobicContact CB-CD1 4.3Å; L852-F856 HydrophobicContact CD1-CD1 4.32Å; L852-F856 HydrophobicContact CD1-CE1 4Å; P853-F856 HydrophobicContact CB-CB 4.5Å; P853-F856 WeakPolarHBondContact O-CB 3.5Å; P853-F856 PolarHBondContact O-N 2.97Å; F856-S858 VanDerWaalsContact C-N 3.26Å; F856-S858 PolarHBondContact O-N 2.99Å; F856-N859 PolarHBondContact O-N 2.96Å; F856-F860 AromaticContact CD2-CD2 3.85Å; F856-F860 HydrophobicContact CD2-CD2 3.85Å; F856-F860 HydrophobicContact CE1-CB 4.23Å; F856-F860 HydrophobicContact CE2-CB 4.18Å; F856-F860 AromaticContact CE2-CD2 3.54Å; F856-F860 HydrophobicContact CE2-CD2 3.54Å; F856-F860 HydrophobicContact CE2-CE2 4.28Å; F856-F860 HydrophobicContact CE2-CG 4.13Å; F856-F860 HydrophobicContact CZ-CB 3.86Å; F856-F860 HydrophobicContact CZ-CD2 4.12Å; F856-F860 HydrophobicContact CZ-CG 4.28Å; F856-F860 PolarHBondContact O-N 3.4Å; F856-F898 HydrophobicContact CE1-CB 4.42Å; F856-F898 AromaticContact CE1-CD1 3.82Å; F856-F898 HydrophobicContact CE1-CD1 3.82Å; F856-F898 HydrophobicContact CE1-CD2 4.08Å; F856-F898 HydrophobicContact CE1-CE1 4.04Å; F856-F898 HydrophobicContact CE1-CE2 4.29Å; F856-F898 AromaticContact CE1-CG 3.84Å; F856-F898 HydrophobicContact CE1-CG 3.84Å; F856-F898 HydrophobicContact CE1-CZ 4.28Å; F856-F898 HydrophobicContact CZ-CB 3.76Å; F856-F898 AromaticContact CZ-CD1 4Å; F856-F898 HydrophobicContact CZ-CD1 4Å; F856-F898 HydrophobicContact CZ-CD2 4.06Å; F856-F898 AromaticContact CZ-CG 3.66Å; F856-F898 HydrophobicContact CZ-CG 3.66Å; F856-V920 HydrophobicContact CD2-CG1 3.96Å; F856-V920 HydrophobicContact CE2-CB 4.09Å; F856-V920 HydrophobicContact CE2-CG1 3.85Å; F856-V920 HydrophobicContact CE2-CG2 4.16Å; F856-F926 HydrophobicContact CB-CZ 4.06Å; F856-F926 HydrophobicContact CD2-CE1 4.35Å; F856-F926 HydrophobicContact CD2-CZ 4.08Å; F856-F926 HydrophobicContact CG-CE1 4.36Å; F856-F926 AromaticContact CG-CZ 3.95Å; F856-F926 HydrophobicContact CG-CZ 3.95Å; F856-I932 HydrophobicContact CE1-CG2 4.48Å; F856-I932 HydrophobicContact CE2-CG2 4.08Å; F856-I932 HydrophobicContact CZ-CG2 3.63Å
857	L	84.8	Confident	83.3	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-13.8	-177.9	-64	-179.3	0	0	0	114.5	V807 K808 L852 P853 D854 N859 P861 F898	V807-L857 HydrophobicContact CG1-CD1 3.79Å; V807-L857 HydrophobicContact CG1-CD2 3.51Å; V807-L857 HydrophobicContact CG1-CG 4.28Å; K808-L857 HydrophobicContact CD-CD1 4.32Å; K808-L857 HydrophobicContact CG-CD1 3.97Å; L852-L857 HydrophobicContact CB-CD1 4.15Å; L852-L857 HydrophobicContact CB-CD2 4.24Å; L852-L857 HydrophobicContact CB-CG 4.16Å; L852-L857 HydrophobicContact CD1-CD2 4.35Å; P853-L857 PolarHBondContact O-N 3.27Å; D854-L857 PolarHBondContact O-N 2.89Å; L857-N859 VanDerWaalsContact C-N 3.33Å; L857-P861 WeakPolarHBondContact O-CA 3.39Å; L857-P861 WeakPolarHBondContact O-CB 3.33Å; L857-F898 HydrophobicContact CD2-CE1 3.9Å; L857-F898 HydrophobicContact CD2-CZ 4.23Å
858	S	83.9	Confident	83.7	Confident	64 Å²	64	50.9 Å²	50.9	45%	0.448	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-29.5	168.3	62.4	0	0	0	0	112.8	D854 S855 F856	D854-S858 PolarHBondContact O-N 3.46Å; S855-S858 PolarHBondContact O-OG 3.24Å; S855-S858 VanDerWaalsContact O-OG 3.04Å; F856-S858 VanDerWaalsContact C-N 3.26Å; F856-S858 PolarHBondContact O-N 2.99Å
859	N	84.4	Confident	84.6	Confident	95 Å²	95	45.9 Å²	45.9	51%	0.508	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-37.2	-178.1	-60.3	-13.5	0	0	0	111.4	F856 L857 P861 G896	F856-N859 PolarHBondContact O-N 2.96Å; L857-N859 VanDerWaalsContact C-N 3.33Å; N859-P861 VanDerWaalsContact C-CD 3.46Å; N859-P861 WeakPolarHBondContact O-CD 3.47Å; N859-G896 WeakPolarHBondContact O-CA 3.23Å
860	F	88.7	Confident	85.1	Confident	22 Å²	22	44.3 Å²	44.3	10%	0.096	26%	0.264	C	S	.	.			trans	-124.6	71.3	179.3	-51.4	-80.1	0	0	0	110.9	F856 A897 F898 F918 V920	F856-F860 AromaticContact CD2-CD2 3.85Å; F856-F860 HydrophobicContact CD2-CD2 3.85Å; F856-F860 HydrophobicContact CE1-CB 4.23Å; F856-F860 HydrophobicContact CE2-CB 4.18Å; F856-F860 AromaticContact CE2-CD2 3.54Å; F856-F860 HydrophobicContact CE2-CD2 3.54Å; F856-F860 HydrophobicContact CE2-CE2 4.28Å; F856-F860 HydrophobicContact CE2-CG 4.13Å; F856-F860 HydrophobicContact CZ-CB 3.86Å; F856-F860 HydrophobicContact CZ-CD2 4.12Å; F856-F860 HydrophobicContact CZ-CG 4.28Å; F856-F860 PolarHBondContact O-N 3.4Å; F860-A897 WeakPolarHBondContact CD1-O 3.41Å; F860-F898 HydrophobicContact CB-CB 4.23Å; F860-F898 HydrophobicContact CB-CD1 4.04Å; F860-F898 WeakPolarHBondContact O-CD1 3.4Å; F860-F898 WeakPolarHBondContact O-CE1 3.38Å; F860-F918 HydrophobicContact CE1-CZ 4.26Å; F860-F918 HydrophobicContact CZ-CE2 4.29Å; F860-F918 AromaticContact CZ-CZ 3.91Å; F860-F918 HydrophobicContact CZ-CZ 3.91Å; F860-V920 HydrophobicContact CE2-CG1 4.45Å; F860-V920 HydrophobicContact CE2-CG2 4.06Å; F860-V920 HydrophobicContact CZ-CG2 4.24Å
861	P	90.1	Very high	85.9	Confident	18 Å²	18	39.1 Å²	39.1	12%	0.117	24%	0.239	C	C	.	.			trans	-69.8	-28.2	-180	27.2	-35.9	0	0	0	113.7	V805 D806 V807 L857 N859 G896	V805-P861 CarbonylContact O-C 3.14Å; D806-P861 WeakPolarHBondContact CA-O 3.48Å; V807-P861 PolarHBondContact N-O 2.99Å; L857-P861 WeakPolarHBondContact O-CA 3.39Å; L857-P861 WeakPolarHBondContact O-CB 3.33Å; N859-P861 VanDerWaalsContact C-CD 3.46Å; N859-P861 WeakPolarHBondContact O-CD 3.47Å; P861-G896 VanDerWaalsContact CD-O 3.3Å; P861-G896 WeakPolarHBondContact CD-O 3.37Å
862	S	92.3	Very high	86.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.2	-172	-58.9	0	0	0	0	113.6	T804 V805 S894 G896 A897 F898	T804-S862 WeakPolarHBondContact O-CA 3.31Å; T804-S862 WeakPolarHBondContact O-CB 3.47Å; T804-S862 PolarHBondContact O-OG 2.86Å; V805-S862 WeakPolarHBondContact O-CA 3.44Å; V805-S862 PolarHBondContact O-N 2.88Å; V805-S862 PolarHBondContact O-OG 3.3Å; S862-S894 WeakPolarHBondContact OG-CB 3.33Å; S862-S894 PolarHBondContact OG-OG 3.45Å; S862-G896 WeakPolarHBondContact CB-O 3.36Å; S862-G896 PolarHBondContact N-O 2.69Å; S862-G896 VanDerWaalsContact N-O 3.11Å; S862-A897 CarbonylContact O-C 3.51Å; S862-A897 WeakPolarHBondContact O-CA 3.43Å; S862-F898 WeakPolarHBondContact O-CD1 3.4Å; S862-F898 PolarHBondContact O-N 3.12Å
863	L	92.4	Very high	86.4	Confident	34 Å²	34	41.7 Å²	41.7	18%	0.178	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.1	166	175	66.1	0	0	0	109.7	G803 T804 V807 F810 F898	G803-L863 CarbonylContact C-O 3.53Å; G803-L863 WeakPolarHBondContact CA-O 3.07Å; T804-L863 HydrophobicContact CG2-CB 4.26Å; T804-L863 PolarHBondContact N-O 3.43Å; T804-L863 PolarHBondContact O-N 2.96Å; V807-L863 HydrophobicContact CB-CB 4.42Å; V807-L863 HydrophobicContact CG2-CB 3.98Å; V807-L863 HydrophobicContact CG2-CD2 4.31Å; F810-L863 HydrophobicContact CE1-CD2 4.34Å; L863-F898 WeakPolarHBondContact CA-O 3.42Å; L863-F898 HydrophobicContact CB-CE1 4.23Å; L863-F898 HydrophobicContact CB-CZ 4Å; L863-F898 HydrophobicContact CD1-CD2 4.19Å; L863-F898 HydrophobicContact CD1-CE2 3.69Å; L863-F898 HydrophobicContact CD1-CZ 4.03Å
864	I	93.9	Very high	86.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.9	174.8	61.1	169.2	0	0	0	112.5	L802 M882 L885 L886 L889 A897 F898 C899	L802-I864 CarbonylContact O-C 3.6Å; L802-I864 WeakPolarHBondContact O-CA 3.38Å; I864-M882 HydrophobicContact CD1-CE 3.91Å; I864-M882 HydrophobicContact CD1-SD 3.86Å; I864-L885 HydrophobicContact CB-CD2 3.92Å; I864-L885 HydrophobicContact CG2-CD2 3.74Å; I864-L885 HydrophobicContact CG2-CG 4.19Å; I864-L886 HydrophobicContact CD1-CD2 4.31Å; I864-L889 HydrophobicContact CG2-CD1 3.54Å; I864-A897 HydrophobicContact CD1-CB 3.98Å; I864-A897 HydrophobicContact CG1-CB 4.23Å; I864-A897 HydrophobicContact CG2-CB 3.96Å; I864-F898 WeakPolarHBondContact CG1-O 3.28Å; I864-F898 PolarHBondContact N-O 2.96Å; I864-C899 HydrophobicContact CG1-CB 4.23Å; I864-C899 VanDerWaalsContact O-CB 3.23Å; I864-C899 WeakPolarHBondContact O-CB 3.43Å
865	K	92.6	Very high	85.8	Confident	47 Å²	47	38.4 Å²	38.4	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	115.1	176.3	179.5	53.8	169.5	150	0	109.2	V777 L780 Y800 L802 D867	V777-K865 HydrophobicContact CG1-CG 4.01Å; L780-K865 HydrophobicContact CD1-CB 4.13Å; Y800-K865 HydrophobicContact CE2-CG 4.34Å; L802-K865 PolarHBondContact N-O 2.72Å; L802-K865 PolarHBondContact O-N 2.96Å; K865-D867 WeakPolarHBondContact CD-OD2 3.22Å; K865-D867 WeakPolarHBondContact CE-OD2 3.44Å; K865-D867 IonicContact NZ-OD1 2.78Å; K865-D867 PolarHBondContact NZ-OD1 3.14Å; K865-D867 IonicContact NZ-OD2 3.69Å; K865-D867 PolarHBondContact NZ-OD2 3.39Å
866	V	92.6	Very high	85.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.4	-175.8	-175.5	0	0	0	0	109	Y800 A801 M881 M882 L885 F911 Y912	Y800-V866 WeakPolarHBondContact O-CA 3.48Å; A801-V866 HydrophobicContact CB-CB 4.41Å; A801-V866 HydrophobicContact CB-CG1 4.08Å; A801-V866 HydrophobicContact CB-CG2 3.79Å; V866-M881 HydrophobicContact CG1-CE 3.93Å; V866-M882 HydrophobicContact CB-CE 4.37Å; V866-M882 HydrophobicContact CG2-CE 3.77Å; V866-M882 HydrophobicContact CG2-SD 4.34Å; V866-L885 HydrophobicContact CG2-CD2 3.96Å; V866-F911 HydrophobicContact CB-CE1 4.39Å; V866-F911 HydrophobicContact CG1-CE1 4.19Å; V866-F911 HydrophobicContact CG1-CZ 4.24Å; V866-Y912 HydrophobicContact CB-CE1 4.36Å; V866-Y912 PolarHBondContact N-OH 3.48Å; V866-Y912 PolarHBondContact O-OH 3.31Å
867	D	91.4	Very high	85.5	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143	179.9	-59.4	-92.7	0	0	0	110.1	M754 G799 Y800 K865 M908	M754-D867 HydrophobicContact CG-CB 4.41Å; G799-D867 CarbonylContact C-O 3.59Å; G799-D867 WeakPolarHBondContact CA-O 3.11Å; Y800-D867 HydrophobicContact CE1-CB 4.1Å; Y800-D867 HydrophobicContact CE2-CB 4.02Å; Y800-D867 WeakPolarHBondContact CE2-OD2 3.31Å; Y800-D867 PolarHBondContact N-O 3.41Å; Y800-D867 PolarHBondContact O-N 3.49Å; Y800-D867 PolarHBondContact OH-OD2 2.96Å; K865-D867 WeakPolarHBondContact CD-OD2 3.22Å; K865-D867 WeakPolarHBondContact CE-OD2 3.44Å; K865-D867 IonicContact NZ-OD1 2.78Å; K865-D867 PolarHBondContact NZ-OD1 3.14Å; K865-D867 IonicContact NZ-OD2 3.69Å; K865-D867 PolarHBondContact NZ-OD2 3.39Å; D867-M908 VanDerWaalsContact OD1-CE 3.31Å; D867-M908 WeakPolarHBondContact OD1-CE 3.39Å
868	I	88.9	Confident	85.6	Confident	20 Å²	20	35 Å²	35	10%	0.103	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.7	-174.8	-58.9	173.7	0	0	0	108.1	M754 L791 V872 A878 M881 F911	M754-I868 WeakPolarHBondContact CE-O 3.36Å; L791-I868 HydrophobicContact CD2-CG2 4.12Å; I868-V872 HydrophobicContact CG2-CB 3.62Å; I868-V872 HydrophobicContact CG2-CG1 3.97Å; I868-V872 HydrophobicContact CG2-CG2 3.69Å; I868-A878 VanDerWaalsContact CD1-CA 3.49Å; I868-A878 HydrophobicContact CD1-CB 3.41Å; I868-A878 VanDerWaalsContact CD1-CB 3.41Å; I868-M881 HydrophobicContact CD1-CE 3.73Å; I868-M881 HydrophobicContact CG1-CE 3.6Å; I868-F911 HydrophobicContact CD1-CE2 4.32Å; I868-F911 HydrophobicContact CD1-CZ 4.07Å; I868-F911 HydrophobicContact CG1-CZ 4.36Å
869	H	87.6	Confident	85.6	Confident	52 Å²	52	33 Å²	33	24%	0.241	19%	0.189	C	C	.	.			trans	-64.4	134.1	-179.2	-174.3	-8.8	0	0	0	110.9	C798 K871 V872	C798-H869 VanDerWaalsContact O-CB 3.24Å; C798-H869 WeakPolarHBondContact O-CB 3.4Å; C798-H869 PolarHBondContact O-N 2.85Å; H869-K871 HydrophobicContact CB-CG 4.28Å; H869-K871 PolarHBondContact O-N 2.87Å; H869-V872 WeakPolarHBondContact O-CB 3.39Å; H869-V872 PolarHBondContact O-N 2.84Å
870	A	79.8	Confident	85.6	Confident	62 Å²	62	29.4 Å²	29.4	51%	0.512	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-15.5	178.6	0	0	0	0	0	116.3	E757 V872	E757-A870 WeakPolarHBondContact OE1-CB 3.17Å; A870-V872 PolarHBondContact O-N 3.34Å
871	K	82.6	Confident	85.6	Confident	60 Å²	60	28.4 Å²	28.4	26%	0.261	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.4	170.6	77.4	171.9	-168.1	162	0	114.2	D793 E795 H869 T873	D793-K871 VanDerWaalsContact CG-NZ 3.3Å; D793-K871 IonicContact OD1-NZ 2.65Å; D793-K871 PolarHBondContact OD1-NZ 3.19Å; D793-K871 WeakPolarHBondContact OD2-CE 3.45Å; D793-K871 IonicContact OD2-NZ 2.64Å; D793-K871 PolarHBondContact OD2-NZ 2.85Å; E795-K871 IonicContact OE2-NZ 3.66Å; E795-K871 PolarHBondContact OE2-NZ 2.58Å; H869-K871 HydrophobicContact CB-CG 4.28Å; H869-K871 PolarHBondContact O-N 2.87Å; K871-T873 PolarHBondContact O-N 3.34Å
872	V	83.1	Confident	85.5	Confident	19 Å²	19	27.5 Å²	27.5	12%	0.115	16%	0.161	C	C	.	.			trans	-90.3	98	178.1	-177.3	0	0	0	0	109.5	Y734 L791 C798 I868 H869 A870 D874 V877	Y734-V872 HydrophobicContact CE1-CB 4.45Å; Y734-V872 HydrophobicContact CE1-CG1 4.02Å; Y734-V872 HydrophobicContact CE1-CG2 3.92Å; Y734-V872 HydrophobicContact CE2-CG1 4.32Å; L791-V872 HydrophobicContact CD2-CG1 4.5Å; L791-V872 HydrophobicContact CD2-CG2 4.24Å; C798-V872 HydrophobicContact CB-CG2 4Å; I868-V872 HydrophobicContact CG2-CB 3.62Å; I868-V872 HydrophobicContact CG2-CG1 3.97Å; I868-V872 HydrophobicContact CG2-CG2 3.69Å; H869-V872 WeakPolarHBondContact O-CB 3.39Å; H869-V872 PolarHBondContact O-N 2.84Å; A870-V872 PolarHBondContact O-N 3.34Å; V872-D874 VanDerWaalsContact C-N 3.3Å; V872-D874 PolarHBondContact O-N 3.19Å; V872-V877 HydrophobicContact CG1-CG1 4.43Å
873	T	76.5	Confident	85.2	Confident	119 Å²	119	27.5 Å²	27.5	73%	0.73	16%	0.161	S	C	*	.			trans	-79.8	-7.1	-179.1	52.6	0	0	0	0	114.5	K871 P875	K871-T873 PolarHBondContact O-N 3.34Å; T873-P875 WeakPolarHBondContact O-CD 3.36Å
874	D	77.1	Confident	84.9	Confident	10 Å²	10	25.9 Å²	25.9	5%	0.053	15%	0.152	C	C	.	.			trans	-94.5	110.2	-177.3	179.5	-2.1	0	0	0	111.5	W646 Y734 V872 S876 V877	W646-D874 WeakPolarHBondContact CH2-OD2 3.24Å; W646-D874 WeakPolarHBondContact CZ2-OD2 3.2Å; Y734-D874 HydrophobicContact CD2-CB 4.47Å; Y734-D874 HydrophobicContact CE2-CB 4.09Å; V872-D874 VanDerWaalsContact C-N 3.3Å; V872-D874 PolarHBondContact O-N 3.19Å; D874-S876 VanDerWaalsContact C-N 3.29Å; D874-S876 PolarHBondContact O-N 2.72Å; D874-S876 VanDerWaalsContact OD1-CB 3.31Å; D874-S876 WeakPolarHBondContact OD1-CB 3.45Å; D874-S876 PolarHBondContact OD1-N 2.72Å; D874-S876 PolarHBondContact OD1-OG 3.28Å; D874-S876 PolarHBondContact OD2-OG 2.86Å; D874-V877 HydrophobicContact CB-CG2 4.09Å; D874-V877 WeakPolarHBondContact OD2-CG2 3.48Å
875	P	73.3	Confident	84.7	Confident	78 Å²	78	25.8 Å²	25.8	51%	0.506	15%	0.151	S	C	.	.	H	α-helix	trans	-74.5	-15.7	-179.7	32.3	-36.7	0	0	0	113.7	T873 V877 A878	T873-P875 WeakPolarHBondContact O-CD 3.36Å; P875-V877 VanDerWaalsContact C-N 3.35Å; P875-A878 WeakPolarHBondContact O-CB 3.48Å; P875-A878 PolarHBondContact O-N 3.39Å
876	S	76.9	Confident	84.4	Confident	12 Å²	12	23.5 Å²	23.5	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-75.5	-27.7	-178.2	75.6	0	0	0	0	112.5	W646 Q723 D874 A878 K879 S880	W646-S876 WeakPolarHBondContact CZ2-OG 3.28Å; Q723-S876 VanDerWaalsContact OE1-CB 3.28Å; D874-S876 VanDerWaalsContact C-N 3.29Å; D874-S876 PolarHBondContact O-N 2.72Å; D874-S876 VanDerWaalsContact OD1-CB 3.31Å; D874-S876 WeakPolarHBondContact OD1-CB 3.45Å; D874-S876 PolarHBondContact OD1-N 2.72Å; D874-S876 PolarHBondContact OD1-OG 3.28Å; D874-S876 PolarHBondContact OD2-OG 2.86Å; S876-A878 VanDerWaalsContact C-N 3.29Å; S876-A878 PolarHBondContact O-N 3.47Å; S876-K879 PolarHBondContact O-N 2.65Å; S876-S880 WeakPolarHBondContact O-CB 3.39Å; S876-S880 PolarHBondContact O-N 3.03Å; S876-S880 PolarHBondContact O-OG 3.02Å
877	V	83.3	Confident	84	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-41	171.2	169	0	0	0	0	111.1	Y734 L791 V872 D874 P875 S880 M881	Y734-V877 HydrophobicContact CD2-CG2 3.71Å; Y734-V877 HydrophobicContact CG-CG2 3.89Å; L791-V877 HydrophobicContact CD1-CG1 3.29Å; L791-V877 HydrophobicContact CD2-CG1 3.4Å; L791-V877 VanDerWaalsContact CD2-CG1 3.4Å; L791-V877 HydrophobicContact CG-CG1 3.96Å; V872-V877 HydrophobicContact CG1-CG1 4.43Å; D874-V877 HydrophobicContact CB-CG2 4.09Å; D874-V877 WeakPolarHBondContact OD2-CG2 3.48Å; P875-V877 VanDerWaalsContact C-N 3.35Å; V877-S880 PolarHBondContact O-N 3.4Å; V877-M881 WeakPolarHBondContact O-CB 3.47Å; V877-M881 PolarHBondContact O-N 2.94Å
878	A	86.4	Confident	83.7	Confident	8 Å²	8	23.3 Å²	23.3	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177.9	0	0	0	0	0	112.2	I868 P875 S876 M882 F911 L915	I868-A878 VanDerWaalsContact CD1-CA 3.49Å; I868-A878 HydrophobicContact CD1-CB 3.41Å; I868-A878 VanDerWaalsContact CD1-CB 3.41Å; P875-A878 WeakPolarHBondContact O-CB 3.48Å; P875-A878 PolarHBondContact O-N 3.39Å; S876-A878 VanDerWaalsContact C-N 3.29Å; S876-A878 PolarHBondContact O-N 3.47Å; A878-M882 VanDerWaalsContact O-CB 3.31Å; A878-M882 WeakPolarHBondContact O-CB 3.18Å; A878-M882 PolarHBondContact O-N 2.88Å; A878-F911 HydrophobicContact CB-CE2 3.98Å; A878-F911 HydrophobicContact CB-CZ 4.25Å; A878-L915 HydrophobicContact CB-CD2 3.97Å
879	K	83.6	Confident	83.6	Confident	23 Å²	23	22.3 Å²	22.3	10%	0.1	14%	0.135	C	C	.	.	H	α-helix	trans	-66	-39.6	174.8	-71.5	-175.4	173	-160.8	0	112.4	D719 L720 Y722 Q723 S876 M882 G883 K914 L915	D719-K879 PolarHBondContact O-NZ 2.99Å; L720-K879 HydrophobicContact CD2-CB 4.25Å; L720-K879 HydrophobicContact CD2-CG 4.07Å; Y722-K879 PolarHBondContact O-NZ 3.13Å; Q723-K879 HydrophobicContact CG-CD 3.8Å; S876-K879 PolarHBondContact O-N 2.65Å; K879-M882 PolarHBondContact O-N 3.46Å; K879-G883 PolarHBondContact O-N 3.32Å; K879-K914 WeakPolarHBondContact CE-O 3.21Å; K879-L915 HydrophobicContact CB-CD2 4.34Å; K879-L915 HydrophobicContact CG-CD2 3.59Å
880	S	83.9	Confident	83.5	Confident	19 Å²	19	20.7 Å²	20.7	13%	0.133	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-43.3	178.2	-58.4	0	0	0	0	111.9	S876 V877 G883 C884	S876-S880 WeakPolarHBondContact O-CB 3.39Å; S876-S880 PolarHBondContact O-N 3.03Å; S876-S880 PolarHBondContact O-OG 3.02Å; V877-S880 PolarHBondContact O-N 3.4Å; S880-G883 PolarHBondContact O-N 3.34Å; S880-C884 PolarHBondContact O-N 3.5Å; S880-C884 PolarHBondContact O-SG 2.94Å
881	M	88.8	Confident	83.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.4	-38.5	178.3	-168.5	176.1	51.6	0	0	111.9	I736 F789 L791 Y800 A801 V866 I868 V877 G883 C884 L885	I736-M881 HydrophobicContact CD1-CB 3.95Å; I736-M881 HydrophobicContact CG1-CB 4.33Å; I736-M881 HydrophobicContact CG2-CG 4.35Å; F789-M881 HydrophobicContact CB-CG 4.41Å; L791-M881 HydrophobicContact CB-SD 3.87Å; Y800-M881 WeakPolarHBondContact O-CE 2.91Å; A801-M881 HydrophobicContact CB-CE 4.13Å; A801-M881 HydrophobicContact CB-CG 3.6Å; A801-M881 HydrophobicContact CB-SD 3.9Å; V866-M881 HydrophobicContact CG1-CE 3.93Å; I868-M881 HydrophobicContact CD1-CE 3.73Å; I868-M881 HydrophobicContact CG1-CE 3.6Å; V877-M881 WeakPolarHBondContact O-CB 3.47Å; V877-M881 PolarHBondContact O-N 2.94Å; M881-G883 VanDerWaalsContact C-N 3.34Å; M881-C884 PolarHBondContact O-N 3.09Å; M881-L885 PolarHBondContact O-N 2.79Å; M881-L885 VanDerWaalsContact O-N 3.15Å
882	M	88.4	Confident	83.1	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-45.1	168	-179.8	63.5	79.6	0	0	110.9	L720 I864 V866 A878 K879 C884 L885 L886 Y912 L915	L720-M882 HydrophobicContact CD1-CG 4.29Å; L720-M882 HydrophobicContact CD2-CG 4.42Å; I864-M882 HydrophobicContact CD1-CE 3.91Å; I864-M882 HydrophobicContact CD1-SD 3.86Å; V866-M882 HydrophobicContact CB-CE 4.37Å; V866-M882 HydrophobicContact CG2-CE 3.77Å; V866-M882 HydrophobicContact CG2-SD 4.34Å; A878-M882 VanDerWaalsContact O-CB 3.31Å; A878-M882 WeakPolarHBondContact O-CB 3.18Å; A878-M882 PolarHBondContact O-N 2.88Å; K879-M882 PolarHBondContact O-N 3.46Å; M882-C884 VanDerWaalsContact C-N 3.33Å; M882-C884 PolarHBondContact O-N 2.96Å; M882-L885 PolarHBondContact O-N 2.64Å; M882-L885 VanDerWaalsContact O-N 3.15Å; M882-L886 HydrophobicContact CG-CD1 3.73Å; M882-L886 HydrophobicContact CG-CG 4.03Å; M882-L886 WeakPolarHBondContact O-CB 3.41Å; M882-L886 VanDerWaalsContact O-CG 3.31Å; M882-L886 WeakPolarHBondContact O-CG 3.37Å; M882-L886 PolarHBondContact O-N 2.78Å; M882-L886 HydrophobicContact SD-CD1 3.92Å; M882-L886 HydrophobicContact SD-CD2 3.93Å; M882-L886 HydrophobicContact SD-CG 3.76Å; M882-Y912 HydrophobicContact CE-CD1 4.18Å; M882-Y912 HydrophobicContact CE-CE1 4.02Å; M882-L915 HydrophobicContact CB-CD1 4.41Å; M882-L915 HydrophobicContact CE-CB 4.18Å; M882-L915 HydrophobicContact CE-CD1 3.62Å
883	G	85.1	Confident	82.9	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-40.8	176.5	0	0	0	0	0	113.5	I714 K879 S880 M881 S887	I714-G883 WeakPolarHBondContact CD1-O 3.48Å; K879-G883 PolarHBondContact O-N 3.32Å; S880-G883 PolarHBondContact O-N 3.34Å; M881-G883 VanDerWaalsContact C-N 3.34Å; G883-S887 WeakPolarHBondContact O-CB 3.14Å; G883-S887 PolarHBondContact O-N 2.88Å; G883-S887 PolarHBondContact O-OG 3.22Å
884	C	86.1	Confident	83.3	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-47.5	173.3	-64.1	0	0	0	0	112.1	F789 S880 M881 M882 S887 S888	F789-C884 HydrophobicContact CD1-CB 3.96Å; F789-C884 HydrophobicContact CD2-CB 4.22Å; F789-C884 HydrophobicContact CE1-CB 3.85Å; F789-C884 HydrophobicContact CE2-CB 4.12Å; F789-C884 HydrophobicContact CG-CB 4.15Å; F789-C884 HydrophobicContact CZ-CB 3.93Å; S880-C884 PolarHBondContact O-N 3.5Å; S880-C884 PolarHBondContact O-SG 2.94Å; M881-C884 PolarHBondContact O-N 3.09Å; M882-C884 VanDerWaalsContact C-N 3.33Å; M882-C884 PolarHBondContact O-N 2.96Å; C884-S887 PolarHBondContact O-N 2.79Å; C884-S888 PolarHBondContact O-N 2.94Å
885	L	89.9	Confident	83.6	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-52.1	179.3	177.1	58	0	0	0	111.8	Y787 F789 A801 L802 I864 V866 M881 M882 S887 S888 L889	Y787-L885 VanDerWaalsContact O-CD1 3.29Å; Y787-L885 WeakPolarHBondContact O-CD1 3.28Å; F789-L885 HydrophobicContact CD2-CB 4.36Å; A801-L885 HydrophobicContact CB-CB 4.28Å; A801-L885 HydrophobicContact CB-CD2 4.02Å; L802-L885 WeakPolarHBondContact O-CD2 3.36Å; I864-L885 HydrophobicContact CB-CD2 3.92Å; I864-L885 HydrophobicContact CG2-CD2 3.74Å; I864-L885 HydrophobicContact CG2-CG 4.19Å; V866-L885 HydrophobicContact CG2-CD2 3.96Å; M881-L885 PolarHBondContact O-N 2.79Å; M881-L885 VanDerWaalsContact O-N 3.15Å; M882-L885 PolarHBondContact O-N 2.64Å; M882-L885 VanDerWaalsContact O-N 3.15Å; L885-S887 VanDerWaalsContact C-N 3.28Å; L885-S887 PolarHBondContact O-N 3.1Å; L885-S888 PolarHBondContact O-N 3.35Å; L885-S888 VanDerWaalsContact O-N 3.1Å; L885-S888 PolarHBondContact O-OG 2.64Å; L885-L889 HydrophobicContact CD1-CD1 3.96Å; L885-L889 HydrophobicContact CD1-CG 4.22Å; L885-L889 HydrophobicContact CG-CD1 3.98Å; L885-L889 WeakPolarHBondContact O-CG 3.31Å; L885-L889 PolarHBondContact O-N 2.9Å; L885-L889 VanDerWaalsContact O-N 3.13Å
886	L	87.8	Confident	84.2	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-39.4	178.7	-64.7	-177.2	0	0	0	111.6	I714 L720 I864 M882 S888 L889 K890 A897 L937	I714-L886 HydrophobicContact CD1-CB 4.39Å; I714-L886 HydrophobicContact CG2-CB 4.34Å; L720-L886 HydrophobicContact CD1-CD1 3.75Å; I864-L886 HydrophobicContact CD1-CD2 4.31Å; M882-L886 HydrophobicContact CG-CD1 3.73Å; M882-L886 HydrophobicContact CG-CG 4.03Å; M882-L886 WeakPolarHBondContact O-CB 3.41Å; M882-L886 VanDerWaalsContact O-CG 3.31Å; M882-L886 WeakPolarHBondContact O-CG 3.37Å; M882-L886 PolarHBondContact O-N 2.78Å; M882-L886 HydrophobicContact SD-CD1 3.92Å; M882-L886 HydrophobicContact SD-CD2 3.93Å; M882-L886 HydrophobicContact SD-CG 3.76Å; L886-S888 PolarHBondContact O-N 3.25Å; L886-L889 PolarHBondContact O-N 3.35Å; L886-K890 WeakPolarHBondContact O-CB 3.43Å; L886-K890 PolarHBondContact O-N 3.18Å; L886-A897 HydrophobicContact CD2-CB 3.89Å; L886-L937 HydrophobicContact CB-CD2 3.52Å; L886-L937 HydrophobicContact CD1-CD2 4.27Å; L886-L937 HydrophobicContact CD2-CD2 3.7Å; L886-L937 HydrophobicContact CG-CD2 3.98Å
887	S	83.2	Confident	84.9	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.7	-46.9	173	-65.5	0	0	0	0	112.6	P713 I714 G883 C884 L885 L889 A891	P713-S887 VanDerWaalsContact CG-O 3.32Å; P713-S887 WeakPolarHBondContact CG-O 3.19Å; I714-S887 WeakPolarHBondContact CD1-OG 3.3Å; I714-S887 WeakPolarHBondContact CG1-OG 3.37Å; G883-S887 WeakPolarHBondContact O-CB 3.14Å; G883-S887 PolarHBondContact O-N 2.88Å; G883-S887 PolarHBondContact O-OG 3.22Å; C884-S887 PolarHBondContact O-N 2.79Å; L885-S887 VanDerWaalsContact C-N 3.28Å; L885-S887 PolarHBondContact O-N 3.1Å; S887-L889 VanDerWaalsContact C-N 3.3Å; S887-L889 PolarHBondContact O-N 3.35Å; S887-A891 WeakPolarHBondContact O-CB 3.39Å; S887-A891 PolarHBondContact O-N 3.11Å
888	S	85.8	Confident	85.3	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.4	-34.1	-179.2	71.3	0	0	0	0	113.3	W661 C884 L885 L886 N892	W661-S888 VanDerWaalsContact CE2-CB 3.42Å; C884-S888 PolarHBondContact O-N 2.94Å; L885-S888 PolarHBondContact O-N 3.35Å; L885-S888 VanDerWaalsContact O-N 3.1Å; L885-S888 PolarHBondContact O-OG 2.64Å; L886-S888 PolarHBondContact O-N 3.25Å; S888-N892 PolarHBondContact O-N 2.93Å; S888-N892 PolarHBondContact O-ND2 2.93Å
889	L	87.4	Confident	85.5	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-74.5	-48.3	179	-64.7	167.3	0	0	0	111.5	Y787 T804 V805 I864 L885 L886 S887 A891 N892 G893 S894 L937	Y787-L889 HydrophobicContact CD1-CD2 3.84Å; Y787-L889 HydrophobicContact CD1-CG 4.46Å; Y787-L889 HydrophobicContact CG-CD2 4.15Å; T804-L889 VanDerWaalsContact C-CD2 3.5Å; V805-L889 HydrophobicContact CG2-CD2 3.99Å; I864-L889 HydrophobicContact CG2-CD1 3.54Å; L885-L889 HydrophobicContact CD1-CD1 3.96Å; L885-L889 HydrophobicContact CD1-CG 4.22Å; L885-L889 HydrophobicContact CG-CD1 3.98Å; L885-L889 WeakPolarHBondContact O-CG 3.31Å; L885-L889 PolarHBondContact O-N 2.9Å; L885-L889 VanDerWaalsContact O-N 3.13Å; L886-L889 PolarHBondContact O-N 3.35Å; S887-L889 VanDerWaalsContact C-N 3.3Å; S887-L889 PolarHBondContact O-N 3.35Å; L889-A891 VanDerWaalsContact C-N 3.33Å; L889-A891 PolarHBondContact O-N 3.34Å; L889-N892 PolarHBondContact O-N 3.08Å; L889-N892 VanDerWaalsContact O-N 3.16Å; L889-G893 PolarHBondContact O-N 3.06Å; L889-S894 WeakPolarHBondContact O-CB 2.78Å; L889-S894 PolarHBondContact O-N 2.77Å; L889-S894 VanDerWaalsContact O-N 3.08Å; L889-L937 HydrophobicContact CB-CD1 4.15Å
890	K	84	Confident	85.7	Confident	18 Å²	18	14 Å²	14	8%	0.078	7%	0.074	C	C	.	.	H	α-helix	trans	-63	-38.7	175.6	-178.4	56.4	175.5	-81	0	111.4	P713 D715 L886 N892 G893 S894 L937	P713-K890 HydrophobicContact CB-CB 4.31Å; P713-K890 HydrophobicContact CB-CG 4.09Å; P713-K890 VanDerWaalsContact O-CB 3.24Å; P713-K890 WeakPolarHBondContact O-CB 3.48Å; P713-K890 VanDerWaalsContact O-CG 3.28Å; P713-K890 WeakPolarHBondContact O-CG 3.23Å; D715-K890 IonicContact OD2-NZ 2.7Å; D715-K890 PolarHBondContact OD2-NZ 2.81Å; L886-K890 WeakPolarHBondContact O-CB 3.43Å; L886-K890 PolarHBondContact O-N 3.18Å; K890-N892 PolarHBondContact O-N 2.67Å; K890-G893 PolarHBondContact O-N 2.84Å; K890-S894 VanDerWaalsContact CD-O 3.25Å; K890-S894 WeakPolarHBondContact CD-O 3.27Å; K890-L937 HydrophobicContact CB-CB 4.24Å; K890-L937 HydrophobicContact CB-CD1 4.4Å; K890-L937 HydrophobicContact CD-CB 4.05Å; K890-L937 HydrophobicContact CG-CB 4.42Å; K890-L937 PolarHBondContact NZ-O 2.99Å; K890-L937 PolarHBondContact NZ-OXT 3.17Å
891	A	76.8	Confident	85.8	Confident	11 Å²	11	13.4 Å²	13.4	9%	0.091	7%	0.069	C	C	.	.	H	α-helix	trans	-60.5	-25	174.3	0	0	0	0	0	114.3	W661 Y672 P713 S887 L889	W661-A891 HydrophobicContact CH2-CB 3.92Å; W661-A891 HydrophobicContact CZ3-CB 4.05Å; Y672-A891 WeakPolarHBondContact CD2-O 3.12Å; P713-A891 HydrophobicContact CG-CB 4.15Å; S887-A891 WeakPolarHBondContact O-CB 3.39Å; S887-A891 PolarHBondContact O-N 3.11Å; L889-A891 VanDerWaalsContact C-N 3.33Å; L889-A891 PolarHBondContact O-N 3.34Å
892	N	78.5	Confident	85.5	Confident	13 Å²	13	17.5 Å²	17.5	7%	0.07	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	9.8	173.6	-73.7	-85.1	0	0	0	113.8	W661 H667 S668 Y787 V805 S888 L889 K890	W661-N892 VanDerWaalsContact CH2-ND2 3.27Å; W661-N892 WeakPolarHBondContact CH2-ND2 3.07Å; W661-N892 VanDerWaalsContact CZ2-ND2 3.33Å; W661-N892 WeakPolarHBondContact CZ2-ND2 3.43Å; H667-N892 PolarHBondContact N-OD1 3.05Å; S668-N892 PolarHBondContact N-OD1 3.31Å; Y787-N892 HydrophobicContact CE1-CB 4.3Å; Y787-N892 WeakPolarHBondContact CE1-ND2 3.44Å; Y787-N892 PolarHBondContact OH-ND2 3.03Å; Y787-N892 PolarHBondContact OH-OD1 2.84Å; V805-N892 HydrophobicContact CG1-CB 4.41Å; V805-N892 HydrophobicContact CG2-CB 3.79Å; S888-N892 PolarHBondContact O-N 2.93Å; S888-N892 PolarHBondContact O-ND2 2.93Å; L889-N892 PolarHBondContact O-N 3.08Å; L889-N892 VanDerWaalsContact O-N 3.16Å; K890-N892 PolarHBondContact O-N 2.67Å
893	G	77.8	Confident	85	Confident	19 Å²	19	22.3 Å²	22.3	20%	0.196	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	12	169	0	0	0	0	0	116.5	L889 K890	L889-G893 PolarHBondContact O-N 3.06Å; K890-G893 PolarHBondContact O-N 2.84Å
894	S	85.1	Confident	84.7	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.021	14%	0.143	C	C	.	.			trans	-67.1	148.8	172	-173.7	0	0	0	0	112.4	S862 L889 K890 G896 L937	S862-S894 WeakPolarHBondContact OG-CB 3.33Å; S862-S894 PolarHBondContact OG-OG 3.45Å; L889-S894 WeakPolarHBondContact O-CB 2.78Å; L889-S894 PolarHBondContact O-N 2.77Å; L889-S894 VanDerWaalsContact O-N 3.08Å; K890-S894 VanDerWaalsContact CD-O 3.25Å; K890-S894 WeakPolarHBondContact CD-O 3.27Å; S894-G896 PolarHBondContact OG-N 3.26Å; S894-G896 PolarHBondContact OG-O 3.34Å; S894-G896 VanDerWaalsContact OG-O 3.13Å; S894-L937 WeakPolarHBondContact OG-CD1 3.35Å
895	Q	83.4	Confident	84.4	Confident	130 Å²	130	30.1 Å²	30.1	61%	0.607	15%	0.154	S	C	*	.	S	Bend	trans	-108.5	-13.1	177.2	-57.3	-176.3	27.6	0	0	112.6	L937	Q895-L937 PolarHBondContact O-N 3.48Å; Q895-L937 VanDerWaalsContact O-N 3.1Å
896	G	86.4	Confident	84.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	153.3	-178.1	0	0	0	0	0	112.6	N859 P861 S862 S894 R935	N859-G896 WeakPolarHBondContact O-CA 3.23Å; P861-G896 VanDerWaalsContact CD-O 3.3Å; P861-G896 WeakPolarHBondContact CD-O 3.37Å; S862-G896 WeakPolarHBondContact CB-O 3.36Å; S862-G896 PolarHBondContact N-O 2.69Å; S862-G896 VanDerWaalsContact N-O 3.11Å; S894-G896 PolarHBondContact OG-N 3.26Å; S894-G896 PolarHBondContact OG-O 3.34Å; S894-G896 VanDerWaalsContact OG-O 3.13Å; G896-R935 CarbonylContact C-O 3.57Å; G896-R935 VanDerWaalsContact CA-O 3.25Å; G896-R935 WeakPolarHBondContact CA-O 3.37Å
897	A	91	Very high	84	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.8	179.3	0	0	0	0	0	111.7	F860 S862 I864 L886 G934 R935	F860-A897 WeakPolarHBondContact CD1-O 3.41Å; S862-A897 CarbonylContact O-C 3.51Å; S862-A897 WeakPolarHBondContact O-CA 3.43Å; I864-A897 HydrophobicContact CD1-CB 3.98Å; I864-A897 HydrophobicContact CG1-CB 4.23Å; I864-A897 HydrophobicContact CG2-CB 3.96Å; L886-A897 HydrophobicContact CD2-CB 3.89Å; A897-G934 CarbonylContact O-C 3.23Å; A897-G934 WeakPolarHBondContact O-CA 3.4Å; A897-R935 PolarHBondContact N-O 2.88Å; A897-R935 PolarHBondContact O-N 3.37Å
898	F	92.6	Very high	84.1	Confident	2 Å²	2	42 Å²	42	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.8	174.3	74.1	-83.5	0	0	0	112.4	V807 L852 F856 L857 F860 S862 L863 I864 I932 M933	V807-F898 HydrophobicContact CB-CZ 4.49Å; V807-F898 HydrophobicContact CG1-CE1 4.43Å; V807-F898 HydrophobicContact CG1-CZ 4.4Å; V807-F898 HydrophobicContact CG2-CZ 4.39Å; L852-F898 HydrophobicContact CD1-CD2 4.42Å; L852-F898 HydrophobicContact CD1-CE2 3.49Å; L852-F898 VanDerWaalsContact CD1-CE2 3.49Å; L852-F898 HydrophobicContact CD1-CZ 3.58Å; F856-F898 HydrophobicContact CE1-CB 4.42Å; F856-F898 AromaticContact CE1-CD1 3.82Å; F856-F898 HydrophobicContact CE1-CD1 3.82Å; F856-F898 HydrophobicContact CE1-CD2 4.08Å; F856-F898 HydrophobicContact CE1-CE1 4.04Å; F856-F898 HydrophobicContact CE1-CE2 4.29Å; F856-F898 AromaticContact CE1-CG 3.84Å; F856-F898 HydrophobicContact CE1-CG 3.84Å; F856-F898 HydrophobicContact CE1-CZ 4.28Å; F856-F898 HydrophobicContact CZ-CB 3.76Å; F856-F898 AromaticContact CZ-CD1 4Å; F856-F898 HydrophobicContact CZ-CD1 4Å; F856-F898 HydrophobicContact CZ-CD2 4.06Å; F856-F898 AromaticContact CZ-CG 3.66Å; F856-F898 HydrophobicContact CZ-CG 3.66Å; L857-F898 HydrophobicContact CD2-CE1 3.9Å; L857-F898 HydrophobicContact CD2-CZ 4.23Å; F860-F898 HydrophobicContact CB-CB 4.23Å; F860-F898 HydrophobicContact CB-CD1 4.04Å; F860-F898 WeakPolarHBondContact O-CD1 3.4Å; F860-F898 WeakPolarHBondContact O-CE1 3.38Å; S862-F898 WeakPolarHBondContact O-CD1 3.4Å; S862-F898 PolarHBondContact O-N 3.12Å; L863-F898 WeakPolarHBondContact CA-O 3.42Å; L863-F898 HydrophobicContact CB-CE1 4.23Å; L863-F898 HydrophobicContact CB-CZ 4Å; L863-F898 HydrophobicContact CD1-CD2 4.19Å; L863-F898 HydrophobicContact CD1-CE2 3.69Å; L863-F898 HydrophobicContact CD1-CZ 4.03Å; I864-F898 WeakPolarHBondContact CG1-O 3.28Å; I864-F898 PolarHBondContact N-O 2.96Å; F898-I932 HydrophobicContact CB-CG2 4.07Å; F898-I932 HydrophobicContact CD2-CG2 3.88Å; F898-I932 HydrophobicContact CG-CG2 4.33Å; F898-M933 CarbonylContact C-O 3.28Å; F898-M933 WeakPolarHBondContact CA-O 3.39Å; F898-M933 WeakPolarHBondContact CB-O 3.38Å
899	C	90.6	Very high	84.1	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.2	169.2	64.6	0	0	0	0	111.4	I864 Y912 I932 M933	I864-C899 HydrophobicContact CG1-CB 4.23Å; I864-C899 VanDerWaalsContact O-CB 3.23Å; I864-C899 WeakPolarHBondContact O-CB 3.43Å; C899-Y912 HydrophobicContact CB-CE1 4.07Å; C899-Y912 HydrophobicContact CB-CE2 4.42Å; C899-Y912 WeakPolarHBondContact SG-CD1 3.48Å; C899-Y912 VanDerWaalsContact SG-CE1 3.58Å; C899-Y912 VanDerWaalsContact SG-CG 3.52Å; C899-I932 WeakPolarHBondContact O-CA 3.39Å; C899-M933 PolarHBondContact N-O 3.06Å; C899-M933 PolarHBondContact O-N 2.87Å; C899-M933 VanDerWaalsContact O-N 3.13Å
900	K	87.7	Confident	84	Confident	77 Å²	77	48.6 Å²	48.6	34%	0.335	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.4	170.8	-70	-172.3	-179.5	-168.4	0	108.4	E849 V930 I932	E849-K900 IonicContact OE1-NZ 2.77Å; E849-K900 PolarHBondContact OE1-NZ 3.36Å; K900-V930 HydrophobicContact CB-CG1 3.69Å; K900-V930 HydrophobicContact CD-CG1 4.42Å; K900-V930 HydrophobicContact CG-CG1 4.04Å; K900-I932 HydrophobicContact CG-CD1 4.24Å; K900-I932 HydrophobicContact CG-CG1 4.42Å
901	V	85.5	Confident	84.2	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.2	177.9	-171.4	0	0	0	0	109.4	M908 L909 Y912 V930 I931 M933	V901-M908 HydrophobicContact CG1-CB 3.8Å; V901-L909 HydrophobicContact CB-CD2 3.89Å; V901-L909 HydrophobicContact CG1-CD2 3.71Å; V901-L909 HydrophobicContact CG1-CG 3.78Å; V901-Y912 HydrophobicContact CG2-CD2 3.76Å; V901-Y912 HydrophobicContact CG2-CE2 4.11Å; V901-V930 CarbonylContact O-C 3.54Å; V901-V930 WeakPolarHBondContact O-CA 3.36Å; V901-I931 PolarHBondContact N-O 3.28Å; V901-I931 PolarHBondContact O-N 3.15Å; V901-I931 VanDerWaalsContact O-O 3.14Å; V901-M933 HydrophobicContact CG2-CG 4.14Å
902	R	82.5	Confident	84.7	Confident	86 Å²	86	49.5 Å²	49.5	33%	0.325	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	140.8	179.2	-72.8	176.7	163.7	-179.6	-7.1	110.9	Y755 T904 D905	Y755-R902 PolarHBondContact OH-NH1 3.24Å; Y755-R902 PolarHBondContact OH-NH2 3.01Å; R902-T904 PolarHBondContact O-N 3.01Å; R902-D905 HydrophobicContact CB-CB 4.01Å; R902-D905 PolarHBondContact O-N 3.23Å
903	Q	78.1	Confident	85.1	Confident	102 Å²	102	52 Å²	52	48%	0.477	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23	177.5	-178.5	167.8	-39.5	0	0	113.2	D929 I931	Q903-D929 PolarHBondContact N-O 3.22Å; Q903-D929 VanDerWaalsContact N-O 3.08Å; Q903-I931 HydrophobicContact CB-CD1 4.25Å; Q903-I931 HydrophobicContact CB-CG1 4.34Å; Q903-I931 HydrophobicContact CG-CD1 4.15Å
904	T	78.2	Confident	85.5	Confident	122 Å²	122	57.3 Å²	57.3	75%	0.748	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24	173.1	47.7	0	0	0	0	113.7	R902 K906	R902-T904 PolarHBondContact O-N 3.01Å; T904-K906 PolarHBondContact O-N 3.4Å; T904-K906 VanDerWaalsContact O-N 3.11Å
905	D	80.5	Confident	85.4	Confident	41 Å²	41	57.3 Å²	57.3	22%	0.219	27%	0.273	C	S	.	.			trans	-89.8	76.4	-171.7	-172.5	-9.1	0	0	0	111.9	R902 R907 M908 L909	R902-D905 HydrophobicContact CB-CB 4.01Å; R902-D905 PolarHBondContact O-N 3.23Å; D905-R907 PolarHBondContact O-N 2.94Å; D905-R907 PolarHBondContact OD1-N 3.49Å; D905-M908 PolarHBondContact O-N 2.82Å; D905-M908 WeakPolarHBondContact OD1-CG 3.02Å; D905-M908 PolarHBondContact OD1-N 3.21Å; D905-M908 WeakPolarHBondContact OD2-CB 3.33Å; D905-M908 WeakPolarHBondContact OD2-CG 3.29Å; D905-L909 WeakPolarHBondContact O-CG 3.47Å; D905-L909 PolarHBondContact O-N 2.83Å; D905-L909 VanDerWaalsContact O-N 3.14Å
906	K	83.2	Confident	85.4	Confident	158 Å²	158	52.4 Å²	52.4	69%	0.687	26%	0.257	S	S	*	.	H	α-helix	trans	-60.7	-32	176	-64.6	-179.1	-178.7	176.1	0	112.7	T904 L909 E910	T904-K906 PolarHBondContact O-N 3.4Å; T904-K906 VanDerWaalsContact O-N 3.11Å; K906-L909 PolarHBondContact O-N 3.15Å; K906-E910 PolarHBondContact O-N 2.98Å
907	R	85.6	Confident	85.3	Confident	82 Å²	82	52.8 Å²	52.8	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-48.9	179	175.3	173.3	58.9	74.2	-3.4	110.3	M754 E757 D905 E910 F911	M754-R907 PolarHBondContact O-NH2 3.09Å; E757-R907 PolarHBondContact O-NE 3.47Å; E757-R907 PolarHBondContact O-NH2 3.38Å; E757-R907 IonicContact OE2-CZ 3.52Å; E757-R907 IonicContact OE2-NE 3.5Å; E757-R907 PolarHBondContact OE2-NE 3.42Å; E757-R907 IonicContact OE2-NH1 2.7Å; E757-R907 PolarHBondContact OE2-NH1 3.24Å; E757-R907 IonicContact OE2-NH2 3.42Å; D905-R907 PolarHBondContact O-N 2.94Å; D905-R907 PolarHBondContact OD1-N 3.49Å; R907-E910 PolarHBondContact O-N 3.11Å; R907-F911 WeakPolarHBondContact O-CB 3.42Å; R907-F911 PolarHBondContact O-N 3.23Å
908	M	84.6	Confident	85.1	Confident	11 Å²	11	57.6 Å²	57.6	5%	0.054	28%	0.281	C	S	.	.	H	α-helix	trans	-75.2	-30.5	179.3	-65	-57.2	-68.9	0	0	113.1	D867 V901 D905 F911 Y912	D867-M908 VanDerWaalsContact OD1-CE 3.31Å; D867-M908 WeakPolarHBondContact OD1-CE 3.39Å; V901-M908 HydrophobicContact CG1-CB 3.8Å; D905-M908 PolarHBondContact O-N 2.82Å; D905-M908 WeakPolarHBondContact OD1-CG 3.02Å; D905-M908 PolarHBondContact OD1-N 3.21Å; D905-M908 WeakPolarHBondContact OD2-CB 3.33Å; D905-M908 WeakPolarHBondContact OD2-CG 3.29Å; M908-F911 HydrophobicContact CE-CD1 3.64Å; M908-F911 HydrophobicContact CE-CE1 4.07Å; M908-F911 HydrophobicContact CE-CG 4.37Å; M908-F911 PolarHBondContact O-N 3.19Å; M908-F911 HydrophobicContact SD-CB 4.33Å; M908-F911 HydrophobicContact SD-CD1 4.27Å; M908-F911 HydrophobicContact SD-CG 4.44Å; M908-Y912 HydrophobicContact CE-CD2 4.41Å; M908-Y912 HydrophobicContact CE-CE2 3.69Å; M908-Y912 VanDerWaalsContact O-CD2 3.28Å; M908-Y912 WeakPolarHBondContact O-CD2 3.5Å; M908-Y912 PolarHBondContact O-N 3.08Å
909	L	85.8	Confident	84.8	Confident	30 Å²	30	62.1 Å²	62.1	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-46.9	170.4	-69.1	169.7	0	0	0	111.5	V901 D905 K906 S913 I931 M933	V901-L909 HydrophobicContact CB-CD2 3.89Å; V901-L909 HydrophobicContact CG1-CD2 3.71Å; V901-L909 HydrophobicContact CG1-CG 3.78Å; D905-L909 WeakPolarHBondContact O-CG 3.47Å; D905-L909 PolarHBondContact O-N 2.83Å; D905-L909 VanDerWaalsContact O-N 3.14Å; K906-L909 PolarHBondContact O-N 3.15Å; L909-S913 WeakPolarHBondContact O-CB 3.47Å; L909-S913 PolarHBondContact O-N 2.85Å; L909-S913 PolarHBondContact O-OG 3.41Å; L909-I931 HydrophobicContact CD1-CD1 3.91Å; L909-I931 HydrophobicContact CD2-CB 4.04Å; L909-I931 HydrophobicContact CD2-CD1 4.08Å; L909-I931 HydrophobicContact CD2-CG2 3.88Å; L909-M933 HydrophobicContact CD2-CG 4.31Å; L909-M933 HydrophobicContact CD2-SD 4.18Å
910	E	86.3	Confident	84.2	Confident	108 Å²	108	63 Å²	63	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-40	173.5	-82.3	-168	-139.6	0	0	112.7	K906 R907 S913 K914	K906-E910 PolarHBondContact O-N 2.98Å; R907-E910 PolarHBondContact O-N 3.11Å; E910-S913 PolarHBondContact O-N 3.4Å; E910-K914 WeakPolarHBondContact O-CB 3.14Å; E910-K914 WeakPolarHBondContact O-CD 3.43Å; E910-K914 WeakPolarHBondContact O-CG 3.5Å; E910-K914 PolarHBondContact O-N 2.96Å; E910-K914 WeakPolarHBondContact OE2-CE 3.38Å; E910-K914 IonicContact OE2-NZ 2.76Å; E910-K914 PolarHBondContact OE2-NZ 2.9Å
911	F	87.5	Confident	82.9	Confident	44 Å²	44	62.7 Å²	62.7	19%	0.193	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-54.1	178.2	178.3	-105.2	0	0	0	111.6	V866 I868 A878 R907 M908 S913 K914 L915	V866-F911 HydrophobicContact CB-CE1 4.39Å; V866-F911 HydrophobicContact CG1-CE1 4.19Å; V866-F911 HydrophobicContact CG1-CZ 4.24Å; I868-F911 HydrophobicContact CD1-CE2 4.32Å; I868-F911 HydrophobicContact CD1-CZ 4.07Å; I868-F911 HydrophobicContact CG1-CZ 4.36Å; A878-F911 HydrophobicContact CB-CE2 3.98Å; A878-F911 HydrophobicContact CB-CZ 4.25Å; R907-F911 WeakPolarHBondContact O-CB 3.42Å; R907-F911 PolarHBondContact O-N 3.23Å; M908-F911 HydrophobicContact CE-CD1 3.64Å; M908-F911 HydrophobicContact CE-CE1 4.07Å; M908-F911 HydrophobicContact CE-CG 4.37Å; M908-F911 PolarHBondContact O-N 3.19Å; M908-F911 HydrophobicContact SD-CB 4.33Å; M908-F911 HydrophobicContact SD-CD1 4.27Å; M908-F911 HydrophobicContact SD-CG 4.44Å; F911-S913 VanDerWaalsContact C-N 3.28Å; F911-S913 PolarHBondContact O-N 3.43Å; F911-K914 PolarHBondContact O-N 2.91Å; F911-K914 VanDerWaalsContact O-N 3.14Å; F911-L915 HydrophobicContact CD1-CD1 4.09Å; F911-L915 HydrophobicContact CE1-CD1 3.61Å; F911-L915 HydrophobicContact CE2-CD1 4.26Å; F911-L915 HydrophobicContact CZ-CD1 3.71Å; F911-L915 WeakPolarHBondContact O-CG 3.44Å; F911-L915 PolarHBondContact O-N 3.09Å
912	Y	87.9	Confident	81.7	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-64.9	-31.6	177.7	-77.2	-73.5	0	0	0	112.7	V866 M882 C899 V901 M908 L915 G916 C917	V866-Y912 HydrophobicContact CB-CE1 4.36Å; V866-Y912 PolarHBondContact N-OH 3.48Å; V866-Y912 PolarHBondContact O-OH 3.31Å; M882-Y912 HydrophobicContact CE-CD1 4.18Å; M882-Y912 HydrophobicContact CE-CE1 4.02Å; C899-Y912 HydrophobicContact CB-CE1 4.07Å; C899-Y912 HydrophobicContact CB-CE2 4.42Å; C899-Y912 WeakPolarHBondContact SG-CD1 3.48Å; C899-Y912 VanDerWaalsContact SG-CE1 3.58Å; C899-Y912 VanDerWaalsContact SG-CG 3.52Å; V901-Y912 HydrophobicContact CG2-CD2 3.76Å; V901-Y912 HydrophobicContact CG2-CE2 4.11Å; M908-Y912 HydrophobicContact CE-CD2 4.41Å; M908-Y912 HydrophobicContact CE-CE2 3.69Å; M908-Y912 VanDerWaalsContact O-CD2 3.28Å; M908-Y912 WeakPolarHBondContact O-CD2 3.5Å; M908-Y912 PolarHBondContact O-N 3.08Å; Y912-L915 CarbonylContact O-C 3.54Å; Y912-L915 VanDerWaalsContact O-C 3.28Å; Y912-L915 WeakPolarHBondContact O-CA 3.4Å; Y912-L915 PolarHBondContact O-N 2.84Å; Y912-G916 PolarHBondContact O-N 3.47Å; Y912-C917 WeakPolarHBondContact O-CB 3.44Å; Y912-C917 PolarHBondContact O-N 3.5Å
913	S	87.1	Confident	80.2	Confident	65 Å²	65	69.2 Å²	69.2	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-40.9	172.1	-56.9	0	0	0	0	112.4	L909 E910 F911 L915 G916 M933	L909-S913 WeakPolarHBondContact O-CB 3.47Å; L909-S913 PolarHBondContact O-N 2.85Å; L909-S913 PolarHBondContact O-OG 3.41Å; E910-S913 PolarHBondContact O-N 3.4Å; F911-S913 VanDerWaalsContact C-N 3.28Å; F911-S913 PolarHBondContact O-N 3.43Å; S913-L915 PolarHBondContact O-N 2.68Å; S913-G916 PolarHBondContact O-N 3.42Å; S913-M933 WeakPolarHBondContact OG-CE 3.43Å
914	K	85.3	Confident	78.9	Confident	130 Å²	130	72.3 Å²	72.3	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-69	-19.2	174	-69.4	160.8	-168	167.9	0	112.7	K879 E910 F911	K879-K914 WeakPolarHBondContact CE-O 3.21Å; E910-K914 WeakPolarHBondContact O-CB 3.14Å; E910-K914 WeakPolarHBondContact O-CD 3.43Å; E910-K914 WeakPolarHBondContact O-CG 3.5Å; E910-K914 PolarHBondContact O-N 2.96Å; E910-K914 WeakPolarHBondContact OE2-CE 3.38Å; E910-K914 IonicContact OE2-NZ 2.76Å; E910-K914 PolarHBondContact OE2-NZ 2.9Å; F911-K914 PolarHBondContact O-N 2.91Å; F911-K914 VanDerWaalsContact O-N 3.14Å
915	L	83.9	Confident	77.9	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.4	167.9	-58.5	-178.8	0	0	0	113.1	A878 K879 M882 F911 Y912 S913 C917 R935	A878-L915 HydrophobicContact CB-CD2 3.97Å; K879-L915 HydrophobicContact CB-CD2 4.34Å; K879-L915 HydrophobicContact CG-CD2 3.59Å; M882-L915 HydrophobicContact CB-CD1 4.41Å; M882-L915 HydrophobicContact CE-CB 4.18Å; M882-L915 HydrophobicContact CE-CD1 3.62Å; F911-L915 HydrophobicContact CD1-CD1 4.09Å; F911-L915 HydrophobicContact CE1-CD1 3.61Å; F911-L915 HydrophobicContact CE2-CD1 4.26Å; F911-L915 HydrophobicContact CZ-CD1 3.71Å; F911-L915 WeakPolarHBondContact O-CG 3.44Å; F911-L915 PolarHBondContact O-N 3.09Å; Y912-L915 CarbonylContact O-C 3.54Å; Y912-L915 VanDerWaalsContact O-C 3.28Å; Y912-L915 WeakPolarHBondContact O-CA 3.4Å; Y912-L915 PolarHBondContact O-N 2.84Å; S913-L915 PolarHBondContact O-N 2.68Å; L915-C917 VanDerWaalsContact C-N 3.29Å; L915-C917 PolarHBondContact O-N 2.79Å; L915-R935 PolarHBondContact O-NH1 2.85Å
916	G	82.4	Confident	77	Confident	27 Å²	27	68.9 Å²	68.9	28%	0.278	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	23.3	171.6	0	0	0	0	0	115.5	Y912 S913	Y912-G916 PolarHBondContact O-N 3.47Å; S913-G916 PolarHBondContact O-N 3.42Å
917	C	85.3	Confident	76.1	Confident	7 Å²	7	64 Å²	64	5%	0.047	34%	0.344	C	S	.	.			trans	-86.4	146.7	165.6	-52.4	0	0	0	0	109.4	Y912 L915 M933 G934 R935	Y912-C917 WeakPolarHBondContact O-CB 3.44Å; Y912-C917 PolarHBondContact O-N 3.5Å; L915-C917 VanDerWaalsContact C-N 3.29Å; L915-C917 PolarHBondContact O-N 2.79Å; C917-M933 HydrophobicContact CB-CB 3.98Å; C917-M933 WeakPolarHBondContact O-CE 3.08Å; C917-G934 CarbonylContact C-O 2.91Å; C917-G934 VanDerWaalsContact CA-O 3.3Å; C917-G934 WeakPolarHBondContact CA-O 3.12Å; C917-R935 HydrophobicContact CB-CB 4.49Å
918	F	86.1	Confident	75.1	Confident	103 Å²	103	69 Å²	69	45%	0.452	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.1	179.5	54.9	-92.1	0	0	0	111.3	F860 V920 M933 G934	F860-F918 HydrophobicContact CE1-CZ 4.26Å; F860-F918 HydrophobicContact CZ-CE2 4.29Å; F860-F918 AromaticContact CZ-CZ 3.91Å; F860-F918 HydrophobicContact CZ-CZ 3.91Å; F918-V920 HydrophobicContact CD2-CG2 4.23Å; F918-V920 HydrophobicContact CE2-CG2 3.94Å; F918-V920 PolarHBondContact O-N 2.84Å; F918-M933 CarbonylContact O-C 3.57Å; F918-M933 VanDerWaalsContact O-CA 3.29Å; F918-M933 WeakPolarHBondContact O-CA 3.49Å; F918-G934 VanDerWaalsContact CD1-O 3.31Å; F918-G934 WeakPolarHBondContact CD1-O 3.26Å; F918-G934 PolarHBondContact N-O 3.25Å; F918-G934 PolarHBondContact O-N 3.43Å
919	E	85.8	Confident	74.6	Confident	96 Å²	96	74.6 Å²	74.6	45%	0.449	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	118.5	174.2	179.1	169.4	-177.3	0	0	109.4	A921 K922 I931 M933	E919-A921 PolarHBondContact O-N 3.1Å; E919-K922 WeakPolarHBondContact OE1-CE 3.3Å; E919-I931 HydrophobicContact CB-CG2 4.45Å; E919-I931 HydrophobicContact CG-CG2 3.87Å; E919-M933 HydrophobicContact CB-SD 3.96Å
920	V	78.7	Confident	74.2	Confident	21 Å²	21	75 Å²	75	13%	0.127	40%	0.403	C	S	.	.			trans	-83.9	110.4	170.9	-174.9	0	0	0	0	106.6	F856 F860 F918 M923 I932	F856-V920 HydrophobicContact CD2-CG1 3.96Å; F856-V920 HydrophobicContact CE2-CB 4.09Å; F856-V920 HydrophobicContact CE2-CG1 3.85Å; F856-V920 HydrophobicContact CE2-CG2 4.16Å; F860-V920 HydrophobicContact CE2-CG1 4.45Å; F860-V920 HydrophobicContact CE2-CG2 4.06Å; F860-V920 HydrophobicContact CZ-CG2 4.24Å; F918-V920 HydrophobicContact CD2-CG2 4.23Å; F918-V920 HydrophobicContact CE2-CG2 3.94Å; F918-V920 PolarHBondContact O-N 2.84Å; V920-M923 HydrophobicContact CG1-CE 4.37Å; V920-I932 PolarHBondContact N-O 3.25Å
921	A	61.5	Low	74.1	Confident	69 Å²	69	70.6 Å²	70.6	57%	0.57	38%	0.382	S	S	*	.			trans	-51.4	147.3	-163.2	0	0	0	0	0	114.5	E919 M923	E919-A921 PolarHBondContact O-N 3.1Å; A921-M923 VanDerWaalsContact C-N 3.33Å; A921-M923 PolarHBondContact O-N 3.08Å
922	K	58.8	Low	74	Confident	135 Å²	135	68.7 Å²	68.7	59%	0.587	37%	0.374	S	S	*	.			trans	-62.5	83.3	-177.2	-57.7	-173.4	-178.8	-167.6	0	112.5	E919	E919-K922 WeakPolarHBondContact OE1-CE 3.3Å
923	M	51.7	Low	74	Confident	95 Å²	95	68.9 Å²	68.9	47%	0.468	38%	0.375	S	S	.	.			trans	-74.3	157.2	166.5	-69.7	177.1	-80.3	0	0	110.5	V920 A921 F926	V920-M923 HydrophobicContact CG1-CE 4.37Å; A921-M923 VanDerWaalsContact C-N 3.33Å; A921-M923 PolarHBondContact O-N 3.08Å; M923-F926 HydrophobicContact CB-CD2 4.02Å; M923-F926 HydrophobicContact CB-CE2 3.85Å; M923-F926 HydrophobicContact CE-CE2 3.96Å; M923-F926 HydrophobicContact CE-CZ 3.98Å; M923-F926 WeakPolarHBondContact O-CD2 3.26Å
924	D	50.2	Low	74	Confident	167 Å²	167	65.8 Å²	65.8	89%	0.893	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	137.7	171.5	-70.4	-59.6	0	0	0	111
925	G	57.2	Low	74.1	Confident	56 Å²	56	60.2 Å²	60.2	58%	0.577	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	13.3	-177.3	0	0	0	0	0	115.8
926	F	62.9	Low	74.1	Confident	35 Å²	35	63.7 Å²	63.7	15%	0.154	35%	0.353	C	S	.	.	S	Bend	trans	-102.4	146.3	172.2	-75.6	-109.7	0	0	0	111.7	L852 P853 F856 M923 K928 I932	L852-F926 HydrophobicContact CD2-CD1 4.14Å; L852-F926 HydrophobicContact CD2-CE1 4.11Å; P853-F926 HydrophobicContact CG-CD2 4.45Å; P853-F926 HydrophobicContact CG-CE2 3.78Å; P853-F926 HydrophobicContact CG-CZ 4.3Å; F856-F926 HydrophobicContact CB-CZ 4.06Å; F856-F926 HydrophobicContact CD2-CE1 4.35Å; F856-F926 HydrophobicContact CD2-CZ 4.08Å; F856-F926 HydrophobicContact CG-CE1 4.36Å; F856-F926 AromaticContact CG-CZ 3.95Å; F856-F926 HydrophobicContact CG-CZ 3.95Å; M923-F926 HydrophobicContact CB-CD2 4.02Å; M923-F926 HydrophobicContact CB-CE2 3.85Å; M923-F926 HydrophobicContact CE-CE2 3.96Å; M923-F926 HydrophobicContact CE-CZ 3.98Å; M923-F926 WeakPolarHBondContact O-CD2 3.26Å; F926-K928 PolarHBondContact O-N 3.35Å; F926-I932 HydrophobicContact CD1-CD1 3.82Å; F926-I932 HydrophobicContact CD1-CG1 4.29Å; F926-I932 HydrophobicContact CE1-CD1 3.94Å
927	P	64.5	Low	73.6	Confident	55 Å²	55	63.1 Å²	63.1	36%	0.357	34%	0.344	S	S	.	.			trans	-61.8	132.8	179.8	-22	33.3	0	0	0	112.8	D929 V930	P927-D929 VanDerWaalsContact C-N 3.29Å; P927-D929 PolarHBondContact O-N 2.66Å; P927-V930 HydrophobicContact CB-CB 4.43Å; P927-V930 PolarHBondContact O-N 2.92Å
928	K	64.3	Low	73	Confident	186 Å²	186	66 Å²	66	81%	0.809	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.6	-169	-68.3	179.8	179.2	174.4	0	114.6	F926	F926-K928 PolarHBondContact O-N 3.35Å
929	D	73	Confident	72.3	Confident	129 Å²	129	64 Å²	64	69%	0.69	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-1.1	-172.3	-44.3	-60.7	0	0	0	113.2	Q903 P927	Q903-D929 PolarHBondContact N-O 3.22Å; Q903-D929 VanDerWaalsContact N-O 3.08Å; P927-D929 VanDerWaalsContact C-N 3.29Å; P927-D929 PolarHBondContact O-N 2.66Å
930	V	78.2	Confident	71.6	Confident	40 Å²	40	62.2 Å²	62.2	24%	0.242	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	-171.2	176.7	0	0	0	0	110.5	K900 V901 P927 I932	K900-V930 HydrophobicContact CB-CG1 3.69Å; K900-V930 HydrophobicContact CD-CG1 4.42Å; K900-V930 HydrophobicContact CG-CG1 4.04Å; V901-V930 CarbonylContact O-C 3.54Å; V901-V930 WeakPolarHBondContact O-CA 3.36Å; P927-V930 HydrophobicContact CB-CB 4.43Å; P927-V930 PolarHBondContact O-N 2.92Å; V930-I932 HydrophobicContact CG1-CG1 4.37Å
931	I	83.2	Confident	71.1	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.072	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.4	167.7	-65.3	172.9	0	0	0	108	V901 Q903 L909 E919 M933	V901-I931 PolarHBondContact N-O 3.28Å; V901-I931 PolarHBondContact O-N 3.15Å; V901-I931 VanDerWaalsContact O-O 3.14Å; Q903-I931 HydrophobicContact CB-CD1 4.25Å; Q903-I931 HydrophobicContact CB-CG1 4.34Å; Q903-I931 HydrophobicContact CG-CD1 4.15Å; L909-I931 HydrophobicContact CD1-CD1 3.91Å; L909-I931 HydrophobicContact CD2-CB 4.04Å; L909-I931 HydrophobicContact CD2-CD1 4.08Å; L909-I931 HydrophobicContact CD2-CG2 3.88Å; E919-I931 HydrophobicContact CB-CG2 4.45Å; E919-I931 HydrophobicContact CG-CG2 3.87Å; I931-M933 HydrophobicContact CG2-CG 4.5Å; I931-M933 HydrophobicContact CG2-SD 4.09Å
932	I	86.3	Confident	71.7	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.6	175.1	-64.8	-162	0	0	0	109.6	L852 F856 F898 C899 K900 V920 F926 V930	L852-I932 HydrophobicContact CD1-CD1 4.02Å; L852-I932 HydrophobicContact CD2-CD1 3.71Å; F856-I932 HydrophobicContact CE1-CG2 4.48Å; F856-I932 HydrophobicContact CE2-CG2 4.08Å; F856-I932 HydrophobicContact CZ-CG2 3.63Å; F898-I932 HydrophobicContact CB-CG2 4.07Å; F898-I932 HydrophobicContact CD2-CG2 3.88Å; F898-I932 HydrophobicContact CG-CG2 4.33Å; C899-I932 WeakPolarHBondContact O-CA 3.39Å; K900-I932 HydrophobicContact CG-CD1 4.24Å; K900-I932 HydrophobicContact CG-CG1 4.42Å; V920-I932 PolarHBondContact N-O 3.25Å; F926-I932 HydrophobicContact CD1-CD1 3.82Å; F926-I932 HydrophobicContact CD1-CG1 4.29Å; F926-I932 HydrophobicContact CE1-CD1 3.94Å; V930-I932 HydrophobicContact CG1-CG1 4.37Å
933	M	88.5	Confident	72.6	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.034	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.8	176	-58.1	-68.5	-77.9	0	0	108.5	F898 C899 V901 L909 S913 C917 F918 E919 I931	F898-M933 CarbonylContact C-O 3.28Å; F898-M933 WeakPolarHBondContact CA-O 3.39Å; F898-M933 WeakPolarHBondContact CB-O 3.38Å; C899-M933 PolarHBondContact N-O 3.06Å; C899-M933 PolarHBondContact O-N 2.87Å; C899-M933 VanDerWaalsContact O-N 3.13Å; V901-M933 HydrophobicContact CG2-CG 4.14Å; L909-M933 HydrophobicContact CD2-CG 4.31Å; L909-M933 HydrophobicContact CD2-SD 4.18Å; S913-M933 WeakPolarHBondContact OG-CE 3.43Å; C917-M933 HydrophobicContact CB-CB 3.98Å; C917-M933 WeakPolarHBondContact O-CE 3.08Å; F918-M933 CarbonylContact O-C 3.57Å; F918-M933 VanDerWaalsContact O-CA 3.29Å; F918-M933 WeakPolarHBondContact O-CA 3.49Å; E919-M933 HydrophobicContact CB-SD 3.96Å; I931-M933 HydrophobicContact CG2-CG 4.5Å; I931-M933 HydrophobicContact CG2-SD 4.09Å
934	G	86.8	Confident	74.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.6	-177.2	0	0	0	0	0	113.1	A897 C917 F918	A897-G934 CarbonylContact O-C 3.23Å; A897-G934 WeakPolarHBondContact O-CA 3.4Å; C917-G934 CarbonylContact C-O 2.91Å; C917-G934 VanDerWaalsContact CA-O 3.3Å; C917-G934 WeakPolarHBondContact CA-O 3.12Å; F918-G934 VanDerWaalsContact CD1-O 3.31Å; F918-G934 WeakPolarHBondContact CD1-O 3.26Å; F918-G934 PolarHBondContact N-O 3.25Å; F918-G934 PolarHBondContact O-N 3.43Å
935	R	86.9	Confident	75.9	Confident	14 Å²	14	48.7 Å²	48.7	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	134.9	177.6	-173.4	178.5	171.4	109.9	24.6	111.1	A717 D719 G896 A897 L915 C917	A717-R935 VanDerWaalsContact CB-NH2 3.25Å; D719-R935 IonicContact OD1-CZ 2.82Å; D719-R935 IonicContact OD1-NH1 2.72Å; D719-R935 IonicContact OD1-NH2 3.44Å; D719-R935 PolarHBondContact OD1-NH2 2.91Å; D719-R935 IonicContact OD2-CZ 3.63Å; D719-R935 IonicContact OD2-NH1 3.4Å; D719-R935 PolarHBondContact OD2-NH1 2.61Å; D719-R935 IonicContact OD2-NH2 2.74Å; D719-R935 PolarHBondContact OD2-NH2 3.05Å; G896-R935 CarbonylContact C-O 3.57Å; G896-R935 VanDerWaalsContact CA-O 3.25Å; G896-R935 WeakPolarHBondContact CA-O 3.37Å; A897-R935 PolarHBondContact N-O 2.88Å; A897-R935 PolarHBondContact O-N 3.37Å; L915-R935 PolarHBondContact O-NH1 2.85Å; C917-R935 HydrophobicContact CB-CB 4.49Å
936	S	83.1	Confident	77.5	Confident	76 Å²	76	48.1 Å²	48.1	53%	0.531	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	158.6	174.1	52.5	0	0	0	0	112.7
937	L	72.6	Confident	78.8	Confident	16 Å²	16	49.3 Å²	49.3	8%	0.084	26%	0.263	C	S	.	.			trans	-123.8	0	-175.1	-74.2	176.6	0	0	0	114.8	I714 D715 L886 L889 K890 S894 Q895	I714-L937 HydrophobicContact CG2-CD2 4.37Å; D715-L937 PolarHBondContact N-OXT 3.49Å; L886-L937 HydrophobicContact CB-CD2 3.52Å; L886-L937 HydrophobicContact CD1-CD2 4.27Å; L886-L937 HydrophobicContact CD2-CD2 3.7Å; L886-L937 HydrophobicContact CG-CD2 3.98Å; L889-L937 HydrophobicContact CB-CD1 4.15Å; K890-L937 HydrophobicContact CB-CB 4.24Å; K890-L937 HydrophobicContact CB-CD1 4.4Å; K890-L937 HydrophobicContact CD-CB 4.05Å; K890-L937 HydrophobicContact CG-CB 4.42Å; K890-L937 PolarHBondContact NZ-O 2.99Å; K890-L937 PolarHBondContact NZ-OXT 3.17Å; S894-L937 WeakPolarHBondContact OG-CD1 3.35Å; Q895-L937 PolarHBondContact O-N 3.48Å; Q895-L937 VanDerWaalsContact O-N 3.1Å

Retrieved 937 of 937 residues in 642.7 ms (Link to these results)

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