A0A087Y7C3_POEFO Loading...

Extracellular leucine rich repeat and fibronectin type III domain containing 2

AlphaFold DB , UniProt , Accession A0A087Y7C3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 969 aa.

						>A0A087Y7C3_POEFO|A0A087Y7C3
MAARQRSSSPSPSLLLPVLLPALLLLHLPAAVTGDCWLIEGDKGYVWLAICSQNQPPYETIPQHINSTVHDLRLNENKLKAVLFTSMYRFTNLTDLNLTKNEISYIEDGAFAGQANLQVLQLGYNKLTNLTEGMLRGLGRMQCLFLQHNLIEIIATNAFWECPNLSSLDLSSNKLARLDPSTFTSLNRLMVCELAANPFHCGCELYSFLTWLEEFNNVTHTYDRLQCETPPELTGYPLLGQAPGQGRNARNILLSACRDGVIIPGMTSQMPDPDGSGMGLDNSDPGLYPQPTTATADPNYVPQISIKLESVSLYTASLLVQIPKPYTKMYILSQYNDTFATEIMSLTKKKEKIPIDKLKPHTNYTYCVASGSKTQRYNHTCLSFTTRAVGPEDLRSNPSTTTHYIMTILGCLFGMVIVLGFVYYCLRRRRIQEEKEKAISVKKTILEMRYGPEAAAAVANDPGAIQRLQEQTHHHHSGGAGGKLPPSASSSTGMLHGSANTSSSRLSTLPQVEKMASAFSEAMGSKSNYMDVRTTGMVGESRDGVLVAGGVGGEVVVDMRGVAENGTEAGEDSDDDGRGSASEISTIAKEVDKVNQIINNCIDALKLDASANIVSTADDGNSLSSSQPPCMAPLSRNLLPLSTASSGDQIMASSPKVHPKSQPHPQPHPQPQPQSHPQSHPQLHQQPHPPSMAPVPLVMPLSERPGISGGGFLSPPYRDPPPANAVRPLQRQQSADTTAVKNRCGTPAAVSVKNARVYSVDIPEQRSDPPKYPTEKGSPAVCGGMGGSGGHGGVGGCGNGKGNLNGGGVSLNGGGMGCNNGNGSGCGVVGPGQQQHHLEVQPDYHSSEHRHSFPALYYEDGNESPLPAQKASFLKPLGRTKREATATYSQLSPARHHNYNSGYSSSPEYSSESTLRIWERFRPYKKNPREEASYIAAGHALRKKVQFAKDEDLHDILDYWKGVSAQQKL
					

Structure Viewer

Loading PAE data...

(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	35.7	Very low	33.9	Very low	248 Å²	248	153.2 Å²	153.2	100%	1.222	85%	0.853	S	S	*	*				0	171.5	0	-74.7	173.8	169.8	0	0	109
2	A	32.6	Very low	35	Very low	96 Å²	96	150.9 Å²	150.9	79%	0.793	85%	0.85	S	S	*	*			trans	-60.2	149.9	-167.2	0	0	0	0	0	114.1
3	A	42.6	Very low	36	Very low	93 Å²	93	147.5 Å²	147.5	77%	0.769	84%	0.842	S	S	*	*			cis	84.5	110.5	16.7	0	0	0	0	0	117.6
4	R	30.8	Very low	37.1	Very low	256 Å²	256	148.2 Å²	148.2	97%	0.966	84%	0.841	S	S	*	*			trans	-164.1	146.9	151.7	-121.5	175.5	-177.6	175.4	2.4	112.6
5	Q	38.8	Very low	37.8	Very low	194 Å²	194	147.1 Å²	147.1	91%	0.907	83%	0.831	S	S	*	*			trans	-118.4	150.1	177.1	-70.8	175.1	-40.8	0	0	112.1
6	R	28.9	Very low	38.5	Very low	245 Å²	245	146.6 Å²	146.6	93%	0.925	82%	0.824	S	S	*	*			trans	-159	150.2	159.5	-77.2	-169.6	175.6	172.6	-4	106.3
7	S	28.9	Very low	39.4	Very low	99 Å²	99	143.8 Å²	143.8	69%	0.692	81%	0.813	S	S	*	*			cis	-167.6	-175.8	-7.3	45.5	0	0	0	0	110.1
8	S	28.4	Very low	40.2	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	80%	0.804	S	S	*	*			trans	70.1	110.3	160.2	44.5	0	0	0	0	121.8
9	S	33.1	Very low	40.7	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	79%	0.788	S	S	*	*			trans	40.9	121	136	59.6	0	0	0	0	122.7
10	P	38.4	Very low	41.3	Very low	136 Å²	136	138.1 Å²	138.1	88%	0.883	78%	0.779	S	S	*	*			trans	-87.9	164.2	162.5	36.8	-33.7	0	0	0	113.5
11	S	35.2	Very low	41.9	Very low	105 Å²	105	135 Å²	135	73%	0.734	76%	0.764	S	S	*	*			trans	-119.4	163.4	-171.9	54.3	0	0	0	0	114.1
12	P	47.2	Very low	42.6	Very low	126 Å²	126	125.3 Å²	125.3	82%	0.818	72%	0.724	S	S	*	*			trans	-96	121.5	-171.3	34.8	-31.7	0	0	0	113.8
13	S	48.2	Very low	43.5	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	71%	0.708	S	S	*	*			trans	-148.1	3.9	-179.2	55.1	0	0	0	0	116.8
14	L	50.2	Low	43.9	Very low	157 Å²	157	126.6 Å²	126.6	82%	0.822	70%	0.703	S	S	*	*	S	Bend	trans	-106.8	-3.2	-173.2	-88.7	163.3	0	0	0	116.3
15	L	48.8	Very low	44.7	Very low	132 Å²	132	120.1 Å²	120.1	69%	0.691	69%	0.687	S	S	*	*	S	Bend	trans	-91.4	-12.4	-174.6	-76.4	166.8	0	0	0	115.2	L19	L15-L19 HydrophobicContact CB-CD1 4.43Å
16	L	48.9	Very low	45	Very low	138 Å²	138	117.2 Å²	117.2	72%	0.723	68%	0.677	S	S	*	*	H	α-helix	trans	-68.4	-36.5	-165.8	-140.7	72.1	0	0	0	116.9	V18	L16-V18 PolarHBondContact O-N 3.47Å
17	P	52.5	Low	45.6	Very low	99 Å²	99	112.5 Å²	112.5	64%	0.643	67%	0.665	S	S	*	*	H	α-helix	trans	-79.2	-16.1	-174.9	30.6	-34	0	0	0	114	P21	P17-P21 WeakPolarHBondContact O-CD 3.5Å
18	V	54.6	Low	46.4	Very low	108 Å²	108	113.4 Å²	113.4	66%	0.655	66%	0.662	S	S	*	*	H	α-helix	trans	-93.5	-26.4	-176.2	-175.3	0	0	0	0	112.2	L16	L16-V18 PolarHBondContact O-N 3.47Å
19	L	50.2	Low	47.1	Very low	93 Å²	93	113.2 Å²	113.2	49%	0.487	66%	0.658	S	S	.	*	H	α-helix	trans	-74.7	-32.5	-179.3	-88.3	161.5	0	0	0	113.8	L15 A22 L23	L15-L19 HydrophobicContact CB-CD1 4.43Å; L19-A22 PolarHBondContact O-N 3.05Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.32Å
20	L	52.8	Low	47.7	Very low	116 Å²	116	111.9 Å²	111.9	61%	0.607	65%	0.653	S	S	*	*	H	α-helix	trans	-63	-47.6	-176.8	-91.2	158.1	0	0	0	113.9	A22 L24	L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.17Å; L20-L24 PolarHBondContact O-N 2.91Å
21	P	52.3	Low	48	Very low	74 Å²	74	109.7 Å²	109.7	48%	0.481	65%	0.647	S	S	.	*	H	α-helix	trans	-66	-35.2	174	-21.4	33.7	0	0	0	113	P17 L24 L25	P17-P21 WeakPolarHBondContact O-CD 3.5Å; P21-L24 PolarHBondContact O-N 2.92Å; P21-L25 PolarHBondContact O-N 2.99Å
22	A	51.3	Low	48.5	Very low	44 Å²	44	109.9 Å²	109.9	36%	0.364	64%	0.643	S	S	.	*	H	α-helix	trans	-68.9	-39.3	-179.9	0	0	0	0	0	112.3	L19 L20 L25 L26	L19-A22 PolarHBondContact O-N 3.05Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.17Å; A22-L25 PolarHBondContact O-N 3.31Å; A22-L26 WeakPolarHBondContact O-CB 3.21Å; A22-L26 WeakPolarHBondContact O-CG 3.41Å; A22-L26 PolarHBondContact O-N 3.14Å
23	L	51.3	Low	48.7	Very low	88 Å²	88	107.8 Å²	107.8	46%	0.461	63%	0.629	S	S	.	*	H	α-helix	trans	-66.6	-36	172.8	-83.2	161	0	0	0	112.2	L19 L26 H27	L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.32Å; L23-L26 CarbonylContact O-C 3.41Å; L23-L26 PolarHBondContact O-N 3.17Å; L23-H27 WeakPolarHBondContact O-CB 3.43Å; L23-H27 PolarHBondContact O-N 3.28Å
24	L	50.7	Low	49	Very low	128 Å²	128	103.6 Å²	103.6	67%	0.67	60%	0.602	S	S	*	*	H	α-helix	trans	-64.4	-39.6	173.3	-104.1	155.2	0	0	0	112.6	L20 P21 H27 L28	L20-L24 PolarHBondContact O-N 2.91Å; P21-L24 PolarHBondContact O-N 2.92Å; L24-H27 CarbonylContact O-C 3.42Å; L24-H27 PolarHBondContact O-N 3.37Å; L24-H27 VanDerWaalsContact O-N 3.13Å; L24-L28 PolarHBondContact O-N 3.33Å; L24-L28 VanDerWaalsContact O-N 3.16Å
25	L	48.4	Very low	50	Low	120 Å²	120	101.2 Å²	101.2	63%	0.628	59%	0.59	S	S	*	*	H	α-helix	trans	-72.6	-26.2	174.3	-73.9	167	0	0	0	113.2	P21 A22 L28	P21-L25 PolarHBondContact O-N 2.99Å; A22-L25 PolarHBondContact O-N 3.31Å; L25-L28 HydrophobicContact CD2-CD1 4.31Å
26	L	44.6	Very low	51.8	Low	133 Å²	133	95.7 Å²	95.7	70%	0.696	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	3.9	168.5	-68.1	167.2	0	0	0	113.2	A22 L23	A22-L26 WeakPolarHBondContact O-CB 3.21Å; A22-L26 WeakPolarHBondContact O-CG 3.41Å; A22-L26 PolarHBondContact O-N 3.14Å; L23-L26 CarbonylContact O-C 3.41Å; L23-L26 PolarHBondContact O-N 3.17Å
27	H	42.4	Very low	53.6	Low	147 Å²	147	99 Å²	99	68%	0.681	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	11.1	173.2	-74.1	-2.9	0	0	0	113	L23 L24	L23-H27 WeakPolarHBondContact O-CB 3.43Å; L23-H27 PolarHBondContact O-N 3.28Å; L24-H27 CarbonylContact O-C 3.42Å; L24-H27 PolarHBondContact O-N 3.37Å; L24-H27 VanDerWaalsContact O-N 3.13Å
28	L	44.5	Very low	55.4	Low	118 Å²	118	97.5 Å²	97.5	62%	0.618	55%	0.552	S	S	*	*	S	Bend	trans	-59.4	124.7	135.5	-74.5	167.8	0	0	0	105.9	L24 L25 A30	L24-L28 PolarHBondContact O-N 3.33Å; L24-L28 VanDerWaalsContact O-N 3.16Å; L25-L28 HydrophobicContact CD2-CD1 4.31Å; L28-A30 PolarHBondContact O-N 2.95Å
29	P	44.3	Very low	56.8	Low	98 Å²	98	96.2 Å²	96.2	64%	0.636	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-56.6	140.2	164.4	27	-32.8	0	0	0	106.8	A31	P29-A31 PolarHBondContact O-N 3.45Å; P29-A31 VanDerWaalsContact O-N 3.13Å
30	A	44.1	Very low	58.6	Low	82 Å²	82	97.7 Å²	97.7	68%	0.678	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-50.4	128.5	159.7	0	0	0	0	0	106.3	L28 V32	L28-A30 PolarHBondContact O-N 2.95Å; A30-V32 PolarHBondContact O-N 2.81Å
31	A	45.1	Very low	59.7	Low	90 Å²	90	94 Å²	94	74%	0.744	54%	0.535	S	S	*	.			trans	-71.8	73.5	173.8	0	0	0	0	0	107.6	P29 T33	P29-A31 PolarHBondContact O-N 3.45Å; P29-A31 VanDerWaalsContact O-N 3.13Å; A31-T33 VanDerWaalsContact C-N 3.28Å; A31-T33 PolarHBondContact O-N 3.28Å
32	V	46.1	Very low	60.6	Low	109 Å²	109	97.6 Å²	97.6	66%	0.661	55%	0.55	S	S	*	*			trans	-56.1	103.5	158.8	178.6	0	0	0	0	103.8	A30 G34 Q55	A30-V32 PolarHBondContact O-N 2.81Å; V32-G34 PolarHBondContact O-N 3.33Å; V32-Q55 VanDerWaalsContact O-O 3.12Å
33	T	51.3	Low	61.9	Low	83 Å²	83	105 Å²	105	51%	0.509	57%	0.574	S	S	.	*			trans	-58.1	115.9	169	40.7	0	0	0	0	105.9	A31 D35	A31-T33 VanDerWaalsContact C-N 3.28Å; A31-T33 PolarHBondContact O-N 3.28Å; T33-D35 WeakPolarHBondContact CB-OD2 3.3Å; T33-D35 PolarHBondContact O-N 2.67Å; T33-D35 PolarHBondContact OG1-OD2 2.73Å
34	G	55.1	Low	62.8	Low	19 Å²	19	102.5 Å²	102.5	20%	0.196	57%	0.57	C	S	.	*			trans	-63.3	95.9	159.8	0	0	0	0	0	106.4	V32 N54 Q55 Y58	V32-G34 PolarHBondContact O-N 3.33Å; G34-N54 VanDerWaalsContact CA-OD1 3.25Å; G34-N54 WeakPolarHBondContact CA-OD1 3.48Å; G34-N54 VanDerWaalsContact O-CG 3.27Å; G34-N54 PolarHBondContact O-ND2 3.07Å; G34-N54 PolarHBondContact O-OD1 2.96Å; G34-Q55 PolarHBondContact N-O 3.14Å; G34-Y58 PolarHBondContact O-OH 3.47Å
35	D	70.5	Confident	64.2	Low	106 Å²	106	102.9 Å²	102.9	57%	0.567	56%	0.563	S	S	*	*			trans	-96.4	127.6	169	-64.6	-49.6	0	0	0	106.3	T33 W37	T33-D35 WeakPolarHBondContact CB-OD2 3.3Å; T33-D35 PolarHBondContact O-N 2.67Å; T33-D35 PolarHBondContact OG1-OD2 2.73Å; D35-W37 PolarHBondContact O-N 3.35Å
36	C	85.8	Confident	65.8	Low	17 Å²	17	97.2 Å²	97.2	12%	0.115	53%	0.534	C	S	.	.			trans	-55.3	127.1	-177.8	-71.3	0	0	0	0	110.7	L38 C51	C36-L38 HydrophobicContact CB-CD2 3.93Å; C36-L38 PolarHBondContact O-N 3.27Å; C36-C51 HydrophobicContact CB-CB 4.17Å; C36-C51 WeakPolarHBondContact CB-SG 3.14Å; C36-C51 WeakPolarHBondContact SG-CB 3.28Å; C36-C51 CovalentContact SG-SG 2.04Å; C36-C51 PolarHBondContact SG-SG 3.17Å
37	W	88.3	Confident	68	Low	206 Å²	206	97.4 Å²	97.4	78%	0.78	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	97.7	173.9	-72.8	56.4	0	0	0	108.4	D35 I50	D35-W37 PolarHBondContact O-N 3.35Å; W37-I50 HydrophobicContact CB-CB 4.22Å; W37-I50 PolarHBondContact N-O 2.79Å; W37-I50 PolarHBondContact O-N 2.91Å
38	L	88.8	Confident	70.4	Confident	68 Å²	68	91.2 Å²	91.2	36%	0.356	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.6	176.7	-54.2	-174.2	0	0	0	109.3	C36 V46 A49	C36-L38 HydrophobicContact CB-CD2 3.93Å; C36-L38 PolarHBondContact O-N 3.27Å; L38-V46 HydrophobicContact CB-CG1 3.98Å; L38-V46 HydrophobicContact CB-CG2 4.37Å; L38-V46 HydrophobicContact CD1-CG2 4.44Å; L38-V46 HydrophobicContact CD2-CG1 4.27Å; L38-A49 HydrophobicContact CD2-CB 3.64Å
39	I	85.6	Confident	72.7	Confident	82 Å²	82	85.6 Å²	85.6	42%	0.421	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	100.4	175.9	-66	169.8	0	0	0	107.7	W47 L48	I39-W47 PolarHBondContact O-N 3.26Å; I39-L48 HydrophobicContact CB-CB 4.27Å; I39-L48 HydrophobicContact CD1-CD2 3.8Å; I39-L48 HydrophobicContact CD1-CG 4.1Å; I39-L48 PolarHBondContact N-O 3.39Å
40	E	86.4	Confident	75.1	Confident	124 Å²	124	83.5 Å²	83.5	58%	0.579	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.7	172.5	-71.3	-178.4	-161.5	0	0	110.9	Y45 V46	E40-Y45 WeakPolarHBondContact CA-O 3.46Å; E40-V46 HydrophobicContact CG-CB 4.48Å; E40-V46 HydrophobicContact CG-CG2 3.7Å
41	G	76.3	Confident	77.4	Confident	38 Å²	38	79.6 Å²	79.6	39%	0.392	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-177.2	166.4	0	0	0	0	0	112.1	K43 G44 Y45	G41-K43 PolarHBondContact O-N 3.42Å; G41-G44 PolarHBondContact O-N 3.38Å; G41-Y45 PolarHBondContact N-O 3.43Å
42	D	71.2	Confident	79.6	Confident	150 Å²	150	77 Å²	77	80%	0.802	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	125.8	-178.5	-65	-26.4	0	0	0	112.7	Y45	D42-Y45 WeakPolarHBondContact O-CD2 3.43Å
43	K	78.2	Confident	81.7	Confident	198 Å²	198	78.2 Å²	78.2	86%	0.861	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	19.7	-179.1	-44.5	156.6	-172.6	166.5	0	115.7	G41 Y45	G41-K43 PolarHBondContact O-N 3.42Å; K43-Y45 HydrophobicContact CB-CD2 4.16Å; K43-Y45 HydrophobicContact CB-CE2 4.04Å; K43-Y45 HydrophobicContact CD-CE2 4.47Å
44	G	71	Confident	83.4	Confident	36 Å²	36	74.7 Å²	74.7	37%	0.371	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	23.1	170.6	0	0	0	0	0	114.4	G41	G41-G44 PolarHBondContact O-N 3.38Å
45	Y	80	Confident	84.8	Confident	137 Å²	137	79 Å²	79	54%	0.537	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.2	169.8	-68.9	-87.8	0	0	0	108.9	E40 G41 D42 K43 W47 T68	E40-Y45 WeakPolarHBondContact CA-O 3.46Å; G41-Y45 PolarHBondContact N-O 3.43Å; D42-Y45 WeakPolarHBondContact O-CD2 3.43Å; K43-Y45 HydrophobicContact CB-CD2 4.16Å; K43-Y45 HydrophobicContact CB-CE2 4.04Å; K43-Y45 HydrophobicContact CD-CE2 4.47Å; Y45-W47 PolarHBondContact O-N 3.1Å; Y45-W47 VanDerWaalsContact O-N 3.15Å; Y45-T68 HydrophobicContact CD1-CG2 3.75Å; Y45-T68 HydrophobicContact CE1-CG2 4.33Å
46	V	83.1	Confident	85.6	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	116	167.7	-171.4	0	0	0	0	107.3	L38 E40 A49 N66 T68 V69	L38-V46 HydrophobicContact CB-CG1 3.98Å; L38-V46 HydrophobicContact CB-CG2 4.37Å; L38-V46 HydrophobicContact CD1-CG2 4.44Å; L38-V46 HydrophobicContact CD2-CG1 4.27Å; E40-V46 HydrophobicContact CG-CB 4.48Å; E40-V46 HydrophobicContact CG-CG2 3.7Å; V46-A49 HydrophobicContact CG1-CB 4.48Å; V46-N66 HydrophobicContact CB-CB 4.21Å; V46-N66 HydrophobicContact CG2-CB 3.82Å; V46-T68 PolarHBondContact N-OG1 2.85Å; V46-T68 VanDerWaalsContact N-OG1 3.13Å; V46-T68 CarbonylContact O-C 3.6Å; V46-T68 VanDerWaalsContact O-C 3.22Å; V46-T68 VanDerWaalsContact O-O 3.12Å; V46-T68 PolarHBondContact O-OG1 3.13Å; V46-V69 HydrophobicContact CB-CG2 3.99Å; V46-V69 HydrophobicContact CG1-CG2 3.71Å; V46-V69 WeakPolarHBondContact O-CA 3.48Å; V46-V69 PolarHBondContact O-N 3.26Å
47	W	89.3	Confident	85.9	Confident	137 Å²	137	79.3 Å²	79.3	52%	0.519	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-41.7	178	-179.9	74.3	0	0	0	111.3	I39 Y45 H70 D71	I39-W47 PolarHBondContact O-N 3.26Å; Y45-W47 PolarHBondContact O-N 3.1Å; Y45-W47 VanDerWaalsContact O-N 3.15Å; W47-H70 AromaticContact CD1-CG 3.53Å; W47-H70 AromaticContact CD1-ND1 3.61Å; W47-H70 HydrophobicContact CG-CB 4.42Å; W47-H70 AromaticContact NE1-CG 3.73Å; W47-H70 PolarHBondContact O-N 3.36Å; W47-D71 PolarHBondContact O-N 3.43Å
48	L	93	Very high	86.1	Confident	17 Å²	17	71.4 Å²	71.4	9%	0.089	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.2	-178.2	164	59.3	0	0	0	109.7	I39 I50 D71 R73	I39-L48 HydrophobicContact CB-CB 4.27Å; I39-L48 HydrophobicContact CD1-CD2 3.8Å; I39-L48 HydrophobicContact CD1-CG 4.1Å; I39-L48 PolarHBondContact N-O 3.39Å; L48-I50 HydrophobicContact CD1-CD1 4.35Å; L48-I50 HydrophobicContact CD1-CG1 3.74Å; L48-I50 HydrophobicContact CD2-CD1 4.24Å; L48-I50 HydrophobicContact CD2-CG1 4.45Å; L48-I50 HydrophobicContact CG-CD1 4.31Å; L48-I50 HydrophobicContact CG-CG1 3.99Å; L48-D71 WeakPolarHBondContact CA-O 3.2Å; L48-D71 HydrophobicContact CB-CB 4.48Å; L48-D71 HydrophobicContact CD1-CB 3.8Å; L48-D71 VanDerWaalsContact CD1-CG 3.5Å; L48-R73 HydrophobicContact CD1-CG 4.28Å
49	A	93.5	Very high	86.3	Confident	0 Å²	0	73 Å²	73	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.4	175.3	0	0	0	0	0	110.4	L38 V46 I65 V69 D71 L72 R73	L38-A49 HydrophobicContact CD2-CB 3.64Å; V46-A49 HydrophobicContact CG1-CB 4.48Å; A49-I65 HydrophobicContact CB-CG2 4.06Å; A49-V69 HydrophobicContact CB-CG1 4.05Å; A49-V69 HydrophobicContact CB-CG2 3.93Å; A49-D71 PolarHBondContact N-O 2.9Å; A49-L72 HydrophobicContact CB-CD1 3.98Å; A49-R73 PolarHBondContact O-N 3.26Å
50	I	93.4	Very high	86.6	Confident	53 Å²	53	74 Å²	74	27%	0.272	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	102.2	-179.7	-50.2	176	0	0	0	109.3	W37 L48	W37-I50 HydrophobicContact CB-CB 4.22Å; W37-I50 PolarHBondContact N-O 2.79Å; W37-I50 PolarHBondContact O-N 2.91Å; L48-I50 HydrophobicContact CD1-CD1 4.35Å; L48-I50 HydrophobicContact CD1-CG1 3.74Å; L48-I50 HydrophobicContact CD2-CD1 4.24Å; L48-I50 HydrophobicContact CD2-CG1 4.45Å; L48-I50 HydrophobicContact CG-CD1 4.31Å; L48-I50 HydrophobicContact CG-CG1 3.99Å
51	C	93.1	Very high	86.9	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.007	35%	0.354	C	S	.	.			trans	-111.9	29.1	-179.8	-60.8	0	0	0	0	111.3	C36 Y58 I65 R73 L74 N77	C36-C51 HydrophobicContact CB-CB 4.17Å; C36-C51 WeakPolarHBondContact CB-SG 3.14Å; C36-C51 WeakPolarHBondContact SG-CB 3.28Å; C36-C51 CovalentContact SG-SG 2.04Å; C36-C51 PolarHBondContact SG-SG 3.17Å; C51-Y58 HydrophobicContact CB-CD2 4.35Å; C51-Y58 HydrophobicContact CB-CE2 3.93Å; C51-I65 WeakPolarHBondContact SG-CD1 3.3Å; C51-R73 CarbonylContact C-O 3.17Å; C51-R73 WeakPolarHBondContact CA-O 3.34Å; C51-R73 WeakPolarHBondContact CB-O 2.99Å; C51-R73 PolarHBondContact N-O 3.08Å; C51-L74 HydrophobicContact CB-CD2 3.48Å; C51-L74 VanDerWaalsContact CB-CD2 3.48Å; C51-L74 HydrophobicContact CB-CG 4.14Å; C51-N77 PolarHBondContact O-ND2 3Å
52	S	91.9	Very high	87.5	Confident	34 Å²	34	67.1 Å²	67.1	24%	0.238	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	150.3	-171.9	-48	0	0	0	0	112.8	N54 N75	S52-N54 PolarHBondContact O-N 2.93Å; S52-N75 VanDerWaalsContact CA-O 3.27Å; S52-N75 WeakPolarHBondContact CA-O 3.21Å; S52-N75 WeakPolarHBondContact CB-OD1 3.21Å; S52-N75 PolarHBondContact OG-OD1 2.94Å
53	Q	90.1	Very high	88.2	Confident	135 Å²	135	68.3 Å²	68.3	63%	0.631	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36.5	176.3	-63.6	-178.7	-1.5	0	0	114.4	N75 E76	Q53-N75 PolarHBondContact N-O 3.19Å; Q53-N75 VanDerWaalsContact N-O 3.13Å; Q53-E76 WeakPolarHBondContact CA-O 3.27Å; Q53-E76 HydrophobicContact CG-CB 3.67Å; Q53-E76 HydrophobicContact CG-CG 4.46Å; Q53-E76 WeakPolarHBondContact CG-OE2 3.34Å; Q53-E76 PolarHBondContact NE2-OE2 3.33Å
54	N	87.2	Confident	88.5	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.053	33%	0.325	C	S	.	.			trans	-68.1	149.8	-166.7	-147.2	80.1	0	0	0	113	G34 S52 P56 P57 Y58 N77	G34-N54 VanDerWaalsContact CA-OD1 3.25Å; G34-N54 WeakPolarHBondContact CA-OD1 3.48Å; G34-N54 VanDerWaalsContact O-CG 3.27Å; G34-N54 PolarHBondContact O-ND2 3.07Å; G34-N54 PolarHBondContact O-OD1 2.96Å; S52-N54 PolarHBondContact O-N 2.93Å; N54-P56 CarbonylContact C-O 3.46Å; N54-P56 PolarHBondContact ND2-O 3.03Å; N54-P56 CarbonylContact O-C 3.27Å; N54-P56 VanDerWaalsContact O-C 3.28Å; N54-P57 WeakPolarHBondContact O-CA 3.48Å; N54-P57 WeakPolarHBondContact O-CB 3.24Å; N54-Y58 HydrophobicContact CB-CD2 3.75Å; N54-Y58 HydrophobicContact CB-CE2 3.7Å; N54-Y58 HydrophobicContact CB-CG 4.42Å; N54-Y58 VanDerWaalsContact CG-CZ 3.48Å; N54-Y58 VanDerWaalsContact ND2-CZ 3.34Å; N54-Y58 WeakPolarHBondContact OD1-CE2 3.46Å; N54-N77 WeakPolarHBondContact CB-OD1 3.26Å
55	Q	85.1	Confident	89.2	Confident	108 Å²	108	63 Å²	63	51%	0.505	31%	0.308	S	S	.	.	S	Bend	trans	-131.7	111.5	177	-173	64.3	15	0	0	110.3	V32 G34	V32-Q55 VanDerWaalsContact O-O 3.12Å; G34-Q55 PolarHBondContact N-O 3.14Å
56	P	87	Confident	89.4	Confident	96 Å²	96	59 Å²	59	62%	0.623	30%	0.296	S	S	*	.	S	Bend	cis	-61.1	149.9	-7.7	29.5	-36	0	0	0	112.1	N54	N54-P56 CarbonylContact C-O 3.46Å; N54-P56 PolarHBondContact ND2-O 3.03Å; N54-P56 CarbonylContact O-C 3.27Å; N54-P56 VanDerWaalsContact O-C 3.28Å
57	P	90.6	Very high	89.7	Confident	35 Å²	35	61.8 Å²	61.8	23%	0.227	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.6	139.9	179.4	27.6	-35.1	0	0	0	110.8	N54 E59 K78	N54-P57 WeakPolarHBondContact O-CA 3.48Å; N54-P57 WeakPolarHBondContact O-CB 3.24Å; P57-E59 PolarHBondContact O-N 3.01Å; P57-K78 HydrophobicContact CB-CB 4.44Å; P57-K78 HydrophobicContact CB-CD 4.37Å; P57-K78 HydrophobicContact CB-CG 4.01Å; P57-K78 HydrophobicContact CG-CD 3.76Å; P57-K78 HydrophobicContact CG-CG 3.97Å
58	Y	92.8	Very high	89.7	Confident	39 Å²	39	56.3 Å²	56.3	15%	0.153	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69.8	129.7	-179.2	-63.3	-54.9	0	0	0	111.4	G34 C51 N54 P62 L74 N77 K78 L79	G34-Y58 PolarHBondContact O-OH 3.47Å; C51-Y58 HydrophobicContact CB-CD2 4.35Å; C51-Y58 HydrophobicContact CB-CE2 3.93Å; N54-Y58 HydrophobicContact CB-CD2 3.75Å; N54-Y58 HydrophobicContact CB-CE2 3.7Å; N54-Y58 HydrophobicContact CB-CG 4.42Å; N54-Y58 VanDerWaalsContact CG-CZ 3.48Å; N54-Y58 VanDerWaalsContact ND2-CZ 3.34Å; N54-Y58 WeakPolarHBondContact OD1-CE2 3.46Å; Y58-P62 HydrophobicContact CD1-CG 3.58Å; Y58-P62 HydrophobicContact CD2-CG 3.7Å; Y58-P62 HydrophobicContact CE1-CB 4.37Å; Y58-P62 HydrophobicContact CE1-CG 3.63Å; Y58-P62 HydrophobicContact CE2-CG 3.72Å; Y58-P62 HydrophobicContact CG-CG 3.62Å; Y58-L74 HydrophobicContact CD2-CD2 4.16Å; Y58-N77 PolarHBondContact N-OD1 3.5Å; Y58-K78 CarbonylContact O-C 3.48Å; Y58-K78 WeakPolarHBondContact O-CA 3.39Å; Y58-K78 PolarHBondContact O-N 2.74Å; Y58-L79 PolarHBondContact O-N 3.38Å; Y58-L79 VanDerWaalsContact O-N 3.15Å
59	E	93.1	Very high	89.7	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.472	29%	0.293	S	S	.	.	S	Bend	trans	-93.1	-18.4	171.9	-59.4	-153.5	152.7	0	0	113.3	P57 K78 L79 K80	P57-E59 PolarHBondContact O-N 3.01Å; E59-K78 WeakPolarHBondContact CA-O 3.47Å; E59-K78 HydrophobicContact CG-CB 4.45Å; E59-L79 WeakPolarHBondContact O-CA 3.33Å; E59-K80 PolarHBondContact O-N 3.3Å; E59-K80 IonicContact OE1-NZ 3.22Å; E59-K80 PolarHBondContact OE1-NZ 3.45Å; E59-K80 IonicContact OE2-NZ 3.6Å; E59-K80 PolarHBondContact OE2-NZ 3.17Å
60	T	92.6	Very high	89.7	Confident	104 Å²	104	58.1 Å²	58.1	64%	0.638	31%	0.305	S	S	*	.	S	Bend	trans	-140	157.1	175.2	57.1	0	0	0	0	110.2	P62	T60-P62 WeakPolarHBondContact O-CD 3.35Å
61	I	93.1	Very high	89.8	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	30%	0.295	C	S	.	.			trans	-67.5	118.4	-176.2	-59.2	-178.6	0	0	0	110.2	Q63 L74 L79 V82 M87 F90	I61-Q63 PolarHBondContact O-N 2.95Å; I61-L74 HydrophobicContact CB-CD1 4.47Å; I61-L74 HydrophobicContact CD1-CD1 4.49Å; I61-L74 HydrophobicContact CG1-CD1 4.16Å; I61-L74 HydrophobicContact CG2-CD1 3.85Å; I61-L79 HydrophobicContact CG1-CD1 4.19Å; I61-L79 HydrophobicContact CG1-CD2 4.32Å; I61-V82 HydrophobicContact CD1-CG1 4.33Å; I61-M87 HydrophobicContact CD1-CG 4.43Å; I61-M87 HydrophobicContact CD1-SD 3.48Å; I61-M87 WeakPolarHBondContact CD1-SD 3.47Å; I61-F90 HydrophobicContact CG2-CE2 4Å; I61-F90 HydrophobicContact CG2-CZ 4.39Å
62	P	88.8	Confident	90	Very high	12 Å²	12	56.2 Å²	56.2	8%	0.078	30%	0.295	C	S	.	.			trans	-63.8	128.9	-167.2	-23.4	32.6	0	0	0	114.5	Y58 T60 H64 I65 R89	Y58-P62 HydrophobicContact CD1-CG 3.58Å; Y58-P62 HydrophobicContact CD2-CG 3.7Å; Y58-P62 HydrophobicContact CE1-CB 4.37Å; Y58-P62 HydrophobicContact CE1-CG 3.63Å; Y58-P62 HydrophobicContact CE2-CG 3.72Å; Y58-P62 HydrophobicContact CG-CG 3.62Å; T60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-H64 VanDerWaalsContact C-N 3.27Å; P62-H64 VanDerWaalsContact CB-CE1 3.44Å; P62-H64 WeakPolarHBondContact CB-CE1 3.46Å; P62-H64 PolarHBondContact O-N 3.1Å; P62-I65 HydrophobicContact CB-CD1 3.97Å; P62-I65 HydrophobicContact CB-CG1 4.14Å; P62-I65 HydrophobicContact CG-CD1 4.04Å; P62-I65 PolarHBondContact O-N 3.12Å; P62-R89 PolarHBondContact O-NH2 3.22Å
63	Q	86.4	Confident	90.2	Very high	175 Å²	175	59 Å²	59	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.7	-176.5	-69.1	-174.2	-5.1	0	0	114.2	I61 I65	I61-Q63 PolarHBondContact O-N 2.95Å; Q63-I65 PolarHBondContact O-N 2.85Å
64	H	82.8	Confident	90.5	Very high	119 Å²	119	52.6 Å²	52.6	55%	0.551	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.9	-179.2	63.2	-113.9	0	0	0	114.1	P62 N66	P62-H64 VanDerWaalsContact C-N 3.27Å; P62-H64 VanDerWaalsContact CB-CE1 3.44Å; P62-H64 WeakPolarHBondContact CB-CE1 3.46Å; P62-H64 PolarHBondContact O-N 3.1Å; H64-N66 PolarHBondContact O-N 2.92Å
65	I	86.9	Confident	90.9	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	-73.9	126.6	-179.6	-54.8	169	0	0	0	109.4	A49 C51 P62 Q63 V69 L72 R89 F90	A49-I65 HydrophobicContact CB-CG2 4.06Å; C51-I65 WeakPolarHBondContact SG-CD1 3.3Å; P62-I65 HydrophobicContact CB-CD1 3.97Å; P62-I65 HydrophobicContact CB-CG1 4.14Å; P62-I65 HydrophobicContact CG-CD1 4.04Å; P62-I65 PolarHBondContact O-N 3.12Å; Q63-I65 PolarHBondContact O-N 2.85Å; I65-V69 HydrophobicContact CG2-CG2 3.94Å; I65-L72 HydrophobicContact CD1-CD1 4Å; I65-L72 HydrophobicContact CG2-CD1 4.3Å; I65-R89 PolarHBondContact O-NE 2.87Å; I65-F90 HydrophobicContact CB-CE1 4.16Å; I65-F90 HydrophobicContact CB-CZ 4.14Å; I65-F90 HydrophobicContact CG2-CE1 3.86Å; I65-F90 HydrophobicContact CG2-CZ 4.2Å
66	N	84.6	Confident	91.4	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	26%	0.264	S	S	.	.			trans	-57	142.4	-177.5	-168.5	-20	0	0	0	112.2	V46 H64 T68 V69 F90	V46-N66 HydrophobicContact CB-CB 4.21Å; V46-N66 HydrophobicContact CG2-CB 3.82Å; H64-N66 PolarHBondContact O-N 2.92Å; N66-T68 VanDerWaalsContact CG-OG1 3.32Å; N66-T68 PolarHBondContact ND2-OG1 3.37Å; N66-T68 PolarHBondContact O-N 3.07Å; N66-T68 PolarHBondContact OD1-N 2.83Å; N66-T68 VanDerWaalsContact OD1-N 3.16Å; N66-T68 PolarHBondContact OD1-OG1 3.43Å; N66-V69 WeakPolarHBondContact O-CG2 3.45Å; N66-F90 WeakPolarHBondContact O-CE1 3.41Å
67	S	87.4	Confident	91.8	Very high	58 Å²	58	47 Å²	47	41%	0.406	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.3	177.4	45.6	0	0	0	0	114.1	V69 R89	S67-V69 VanDerWaalsContact C-N 3.26Å; S67-V69 PolarHBondContact O-N 2.84Å; S67-R89 WeakPolarHBondContact CB-O 3.01Å
68	T	90.2	Very high	92.1	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.141	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.2	-178.4	61.2	0	0	0	0	114.9	Y45 V46 N66 H70	Y45-T68 HydrophobicContact CD1-CG2 3.75Å; Y45-T68 HydrophobicContact CE1-CG2 4.33Å; V46-T68 PolarHBondContact N-OG1 2.85Å; V46-T68 VanDerWaalsContact N-OG1 3.13Å; V46-T68 CarbonylContact O-C 3.6Å; V46-T68 VanDerWaalsContact O-C 3.22Å; V46-T68 VanDerWaalsContact O-O 3.12Å; V46-T68 PolarHBondContact O-OG1 3.13Å; N66-T68 VanDerWaalsContact CG-OG1 3.32Å; N66-T68 PolarHBondContact ND2-OG1 3.37Å; N66-T68 PolarHBondContact O-N 3.07Å; N66-T68 PolarHBondContact OD1-N 2.83Å; N66-T68 VanDerWaalsContact OD1-N 3.16Å; N66-T68 PolarHBondContact OD1-OG1 3.43Å; T68-H70 PolarHBondContact O-CE1 3.25Å; T68-H70 VanDerWaalsContact O-CE1 3.24Å; T68-H70 PolarHBondContact O-ND1 2.92Å
69	V	92.8	Very high	92.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.			trans	-61	136.6	-173.5	175.2	0	0	0	0	112.1	V46 A49 I65 N66 S67 D71 L72 L93	V46-V69 HydrophobicContact CB-CG2 3.99Å; V46-V69 HydrophobicContact CG1-CG2 3.71Å; V46-V69 WeakPolarHBondContact O-CA 3.48Å; V46-V69 PolarHBondContact O-N 3.26Å; A49-V69 HydrophobicContact CB-CG1 4.05Å; A49-V69 HydrophobicContact CB-CG2 3.93Å; I65-V69 HydrophobicContact CG2-CG2 3.94Å; N66-V69 WeakPolarHBondContact O-CG2 3.45Å; S67-V69 VanDerWaalsContact C-N 3.26Å; S67-V69 PolarHBondContact O-N 2.84Å; V69-D71 WeakPolarHBondContact CG1-O 3.4Å; V69-L72 HydrophobicContact CG1-CB 3.94Å; V69-L93 HydrophobicContact CG1-CD1 4.06Å
70	H	94.1	Very high	92.4	Very high	55 Å²	55	47.3 Å²	47.3	26%	0.255	23%	0.233	S	C	.	.	S	Bend	trans	-105	-42.7	175.9	-64.9	62.3	0	0	0	111.3	W47 T68 N92 L93 T94 D95	W47-H70 AromaticContact CD1-CG 3.53Å; W47-H70 AromaticContact CD1-ND1 3.61Å; W47-H70 HydrophobicContact CG-CB 4.42Å; W47-H70 AromaticContact NE1-CG 3.73Å; W47-H70 PolarHBondContact O-N 3.36Å; T68-H70 PolarHBondContact O-CE1 3.25Å; T68-H70 VanDerWaalsContact O-CE1 3.24Å; T68-H70 PolarHBondContact O-ND1 2.92Å; H70-N92 PolarHBondContact CD2-O 3.32Å; H70-L93 WeakPolarHBondContact O-CD1 3.38Å; H70-T94 PolarHBondContact O-N 2.78Å; H70-T94 PolarHBondContact O-OG1 2.88Å; H70-D95 PolarHBondContact O-N 3Å
71	D	95.8	Very high	92.6	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.3	173	-179.5	-14.7	0	0	0	110.4	W47 L48 A49 V69 R73 D95	W47-D71 PolarHBondContact O-N 3.43Å; L48-D71 WeakPolarHBondContact CA-O 3.2Å; L48-D71 HydrophobicContact CB-CB 4.48Å; L48-D71 HydrophobicContact CD1-CB 3.8Å; L48-D71 VanDerWaalsContact CD1-CG 3.5Å; A49-D71 PolarHBondContact N-O 2.9Å; V69-D71 WeakPolarHBondContact CG1-O 3.4Å; D71-R73 WeakPolarHBondContact OD1-CG 3Å; D71-R73 IonicContact OD1-NE 3.51Å; D71-R73 PolarHBondContact OD1-NE 3.19Å; D71-R73 IonicContact OD2-CZ 3.78Å; D71-R73 VanDerWaalsContact OD2-CZ 3.23Å; D71-R73 IonicContact OD2-NE 2.75Å; D71-R73 PolarHBondContact OD2-NE 3.29Å; D71-R73 IonicContact OD2-NH2 3.45Å; D71-R73 PolarHBondContact OD2-NH2 3.32Å; D71-D95 WeakPolarHBondContact CA-O 3.48Å; D71-D95 HydrophobicContact CB-CB 4.12Å
72	L	96.1	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113	-180	178.1	55.7	0	0	0	110.8	A49 I65 V69 L74 F90 L93 D95 L96 N97	A49-L72 HydrophobicContact CB-CD1 3.98Å; I65-L72 HydrophobicContact CD1-CD1 4Å; I65-L72 HydrophobicContact CG2-CD1 4.3Å; V69-L72 HydrophobicContact CG1-CB 3.94Å; L72-L74 HydrophobicContact CD1-CD1 3.93Å; L72-L74 HydrophobicContact CD1-CG 4.08Å; L72-L74 HydrophobicContact CD2-CD1 3.8Å; L72-L74 HydrophobicContact CG-CD1 3.73Å; L72-L74 HydrophobicContact CG-CG 4.23Å; L72-F90 HydrophobicContact CD2-CD2 4.25Å; L72-F90 HydrophobicContact CD2-CE1 4.37Å; L72-F90 HydrophobicContact CD2-CE2 3.89Å; L72-F90 HydrophobicContact CD2-CZ 3.93Å; L72-L93 HydrophobicContact CB-CD1 3.59Å; L72-D95 PolarHBondContact N-O 3.34Å; L72-L96 HydrophobicContact CB-CD1 4.15Å; L72-L96 HydrophobicContact CD2-CD1 4.11Å; L72-L96 HydrophobicContact CG-CD1 4.1Å; L72-N97 PolarHBondContact O-N 2.94Å
73	R	96.4	Very high	93.2	Very high	93 Å²	93	45.9 Å²	45.9	35%	0.351	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.4	-178.4	-49.3	-172.4	-175.2	176.7	0.6	110.5	L48 A49 C51 D71 N97	L48-R73 HydrophobicContact CD1-CG 4.28Å; A49-R73 PolarHBondContact O-N 3.26Å; C51-R73 CarbonylContact C-O 3.17Å; C51-R73 WeakPolarHBondContact CA-O 3.34Å; C51-R73 WeakPolarHBondContact CB-O 2.99Å; C51-R73 PolarHBondContact N-O 3.08Å; D71-R73 WeakPolarHBondContact OD1-CG 3Å; D71-R73 IonicContact OD1-NE 3.51Å; D71-R73 PolarHBondContact OD1-NE 3.19Å; D71-R73 IonicContact OD2-CZ 3.78Å; D71-R73 VanDerWaalsContact OD2-CZ 3.23Å; D71-R73 IonicContact OD2-NE 2.75Å; D71-R73 PolarHBondContact OD2-NE 3.29Å; D71-R73 IonicContact OD2-NH2 3.45Å; D71-R73 PolarHBondContact OD2-NH2 3.32Å; R73-N97 HydrophobicContact CB-CB 4.46Å; R73-N97 HydrophobicContact CG-CB 4.41Å
74	L	95.9	Very high	93.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.			trans	-124.3	18.5	-178	-78.9	159.2	0	0	0	111.5	C51 Y58 I61 L72 N77 L79 N97 L98 N101	C51-L74 HydrophobicContact CB-CD2 3.48Å; C51-L74 VanDerWaalsContact CB-CD2 3.48Å; C51-L74 HydrophobicContact CB-CG 4.14Å; Y58-L74 HydrophobicContact CD2-CD2 4.16Å; I61-L74 HydrophobicContact CB-CD1 4.47Å; I61-L74 HydrophobicContact CD1-CD1 4.49Å; I61-L74 HydrophobicContact CG1-CD1 4.16Å; I61-L74 HydrophobicContact CG2-CD1 3.85Å; L72-L74 HydrophobicContact CD1-CD1 3.93Å; L72-L74 HydrophobicContact CD1-CG 4.08Å; L72-L74 HydrophobicContact CD2-CD1 3.8Å; L72-L74 HydrophobicContact CG-CD1 3.73Å; L72-L74 HydrophobicContact CG-CG 4.23Å; L74-N77 PolarHBondContact O-ND2 2.89Å; L74-L79 HydrophobicContact CB-CD1 3.98Å; L74-L79 HydrophobicContact CD1-CD1 4.44Å; L74-N97 CarbonylContact C-O 3.52Å; L74-N97 WeakPolarHBondContact CA-O 3.45Å; L74-N97 PolarHBondContact N-O 2.84Å; L74-L98 HydrophobicContact CB-CD2 3.97Å; L74-L98 HydrophobicContact CD1-CD2 4.22Å; L74-N101 PolarHBondContact O-ND2 3.28Å
75	N	96.4	Very high	94.1	Very high	24 Å²	24	40.5 Å²	40.5	13%	0.128	21%	0.205	C	C	.	.			trans	-64.3	152.5	-179.7	63	-75.1	0	0	0	112.9	S52 Q53 N77 N97 T99	S52-N75 VanDerWaalsContact CA-O 3.27Å; S52-N75 WeakPolarHBondContact CA-O 3.21Å; S52-N75 WeakPolarHBondContact CB-OD1 3.21Å; S52-N75 PolarHBondContact OG-OD1 2.94Å; Q53-N75 PolarHBondContact N-O 3.19Å; Q53-N75 VanDerWaalsContact N-O 3.13Å; N75-N77 VanDerWaalsContact C-N 3.34Å; N75-N77 PolarHBondContact O-N 3.27Å; N75-N77 PolarHBondContact O-ND2 2.97Å; N75-N97 PolarHBondContact N-O 3.07Å; N75-T99 CarbonylContact C-O 3.28Å; N75-T99 WeakPolarHBondContact CA-O 3.45Å; N75-T99 WeakPolarHBondContact CB-O 3.4Å
76	E	95.7	Very high	94.4	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.299	21%	0.21	S	C	.	.	S	Bend	trans	61.1	40.4	178	-60.3	-179	-157.8	0	0	113.2	Q53 T99 K100	Q53-E76 WeakPolarHBondContact CA-O 3.27Å; Q53-E76 HydrophobicContact CG-CB 3.67Å; Q53-E76 HydrophobicContact CG-CG 4.46Å; Q53-E76 WeakPolarHBondContact CG-OE2 3.34Å; Q53-E76 PolarHBondContact NE2-OE2 3.33Å; E76-T99 PolarHBondContact N-O 3.45Å; E76-K100 WeakPolarHBondContact CA-O 3.21Å; E76-K100 HydrophobicContact CG-CB 3.71Å; E76-K100 HydrophobicContact CG-CD 3.48Å; E76-K100 VanDerWaalsContact CG-CD 3.48Å; E76-K100 HydrophobicContact CG-CG 4.28Å; E76-K100 PolarHBondContact N-O 3.39Å; E76-K100 WeakPolarHBondContact OE1-CD 3.33Å; E76-K100 WeakPolarHBondContact OE1-CE 3.39Å; E76-K100 IonicContact OE1-NZ 3.32Å; E76-K100 PolarHBondContact OE1-NZ 3.1Å
77	N	95.4	Very high	94.9	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-112.1	-161.2	170.6	-79.9	-78.9	0	0	0	110.4	C51 N54 Y58 L74 N75 L79 N101	C51-N77 PolarHBondContact O-ND2 3Å; N54-N77 WeakPolarHBondContact CB-OD1 3.26Å; Y58-N77 PolarHBondContact N-OD1 3.5Å; L74-N77 PolarHBondContact O-ND2 2.89Å; N75-N77 VanDerWaalsContact C-N 3.34Å; N75-N77 PolarHBondContact O-N 3.27Å; N75-N77 PolarHBondContact O-ND2 2.97Å; N77-L79 HydrophobicContact CB-CG 4.34Å; N77-N101 VanDerWaalsContact CA-OD1 3.31Å; N77-N101 WeakPolarHBondContact CA-OD1 3.42Å; N77-N101 WeakPolarHBondContact CB-OD1 3.38Å; N77-N101 PolarHBondContact N-OD1 2.03Å; N77-N101 PolarHBondContact O-OD1 3.21Å
78	K	96.2	Very high	95.2	Very high	93 Å²	93	41.8 Å²	41.8	40%	0.404	20%	0.2	S	C	.	.			trans	-122.8	34.5	176.8	-66.6	-173.6	-177.5	175.2	0	112.2	P57 Y58 E59 K80 N101	P57-K78 HydrophobicContact CB-CB 4.44Å; P57-K78 HydrophobicContact CB-CD 4.37Å; P57-K78 HydrophobicContact CB-CG 4.01Å; P57-K78 HydrophobicContact CG-CD 3.76Å; P57-K78 HydrophobicContact CG-CG 3.97Å; Y58-K78 CarbonylContact O-C 3.48Å; Y58-K78 WeakPolarHBondContact O-CA 3.39Å; Y58-K78 PolarHBondContact O-N 2.74Å; E59-K78 WeakPolarHBondContact CA-O 3.47Å; E59-K78 HydrophobicContact CG-CB 4.45Å; K78-K80 PolarHBondContact O-N 3.28Å; K78-N101 PolarHBondContact N-OD1 3.27Å
79	L	97.1	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.			trans	-59.7	125	177	-60.1	178.2	0	0	0	109.3	Y58 E59 I61 L74 N77 L98 N101 E102 I103	Y58-L79 PolarHBondContact O-N 3.38Å; Y58-L79 VanDerWaalsContact O-N 3.15Å; E59-L79 WeakPolarHBondContact O-CA 3.33Å; I61-L79 HydrophobicContact CG1-CD1 4.19Å; I61-L79 HydrophobicContact CG1-CD2 4.32Å; L74-L79 HydrophobicContact CB-CD1 3.98Å; L74-L79 HydrophobicContact CD1-CD1 4.44Å; N77-L79 HydrophobicContact CB-CG 4.34Å; L79-L98 HydrophobicContact CD1-CD2 3.44Å; L79-L98 VanDerWaalsContact CD1-CD2 3.44Å; L79-N101 HydrophobicContact CB-CB 4.14Å; L79-N101 WeakPolarHBondContact CB-OD1 3.42Å; L79-N101 VanDerWaalsContact CG-OD1 3.31Å; L79-N101 WeakPolarHBondContact CG-OD1 3.31Å; L79-N101 PolarHBondContact N-OD1 2.84Å; L79-E102 CarbonylContact O-C 3.17Å; L79-E102 VanDerWaalsContact O-CA 3.31Å; L79-E102 WeakPolarHBondContact O-CA 3.49Å; L79-E102 PolarHBondContact O-N 3.26Å; L79-I103 HydrophobicContact CB-CD1 4.31Å; L79-I103 HydrophobicContact CB-CG1 3.99Å; L79-I103 VanDerWaalsContact O-CG1 3.27Å; L79-I103 WeakPolarHBondContact O-CG1 3.39Å; L79-I103 PolarHBondContact O-N 2.57Å
80	K	96.3	Very high	95.4	Very high	89 Å²	89	42.6 Å²	42.6	39%	0.387	20%	0.201	S	C	.	.			trans	-99.2	-26.8	-176.2	-69	161.6	-167.7	170	0	113.3	E59 K78 E102 I103 S104	E59-K80 PolarHBondContact O-N 3.3Å; E59-K80 IonicContact OE1-NZ 3.22Å; E59-K80 PolarHBondContact OE1-NZ 3.45Å; E59-K80 IonicContact OE2-NZ 3.6Å; E59-K80 PolarHBondContact OE2-NZ 3.17Å; K78-K80 PolarHBondContact O-N 3.28Å; K80-E102 HydrophobicContact CG-CB 4.43Å; K80-I103 WeakPolarHBondContact O-CA 3.32Å; K80-S104 PolarHBondContact O-N 3.43Å; K80-S104 VanDerWaalsContact O-N 3.08Å
81	A	96.9	Very high	95.3	Very high	29 Å²	29	43.3 Å²	43.3	24%	0.24	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.9	178.8	0	0	0	0	0	111.6	L83 Y105	A81-L83 HydrophobicContact CB-CD2 4.35Å; A81-Y105 WeakPolarHBondContact CA-O 3.24Å; A81-Y105 HydrophobicContact CB-CD1 4.13Å
82	V	97	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.3	166.6	-173.7	0	0	0	0	108.4	I61 M87 L98 I103 Y105 I106 E107 A110 F111	I61-V82 HydrophobicContact CD1-CG1 4.33Å; V82-M87 HydrophobicContact CG1-CG 3.53Å; V82-M87 HydrophobicContact CG1-SD 4.08Å; V82-L98 HydrophobicContact CG2-CD1 3.88Å; V82-I103 HydrophobicContact CG2-CD1 3.98Å; V82-I103 HydrophobicContact CG2-CG2 4.27Å; V82-Y105 PolarHBondContact N-O 2.97Å; V82-Y105 VanDerWaalsContact N-O 3.11Å; V82-I106 HydrophobicContact CB-CG1 4.13Å; V82-I106 HydrophobicContact CB-CG2 4.26Å; V82-I106 HydrophobicContact CG2-CG1 4.22Å; V82-I106 WeakPolarHBondContact O-CA 3.32Å; V82-E107 PolarHBondContact O-N 2.93Å; V82-A110 HydrophobicContact CG1-CB 4.29Å; V82-F111 HydrophobicContact CG1-CE1 3.91Å; V82-F111 HydrophobicContact CG1-CZ 4.06Å
83	L	96.3	Very high	95.2	Very high	63 Å²	63	45.7 Å²	45.7	33%	0.33	22%	0.222	S	C	.	.			trans	-115.9	147.8	-176.7	-57.4	179.9	0	0	0	110.7	A81 T85 S86 M87 Y105 E107	A81-L83 HydrophobicContact CB-CD2 4.35Å; L83-T85 VanDerWaalsContact C-N 3.27Å; L83-T85 PolarHBondContact O-N 3.06Å; L83-S86 PolarHBondContact N-OG 2.88Å; L83-S86 VanDerWaalsContact N-OG 3.15Å; L83-S86 WeakPolarHBondContact O-CA 3.21Å; L83-S86 WeakPolarHBondContact O-CB 3.47Å; L83-S86 PolarHBondContact O-N 2.93Å; L83-S86 PolarHBondContact O-OG 3.45Å; L83-M87 PolarHBondContact O-N 3Å; L83-M87 VanDerWaalsContact O-N 3.12Å; L83-Y105 HydrophobicContact CD2-CD1 4.5Å; L83-Y105 HydrophobicContact CD2-CE1 4.27Å; L83-E107 VanDerWaalsContact CA-OE2 3.27Å; L83-E107 WeakPolarHBondContact CA-OE2 3.32Å; L83-E107 WeakPolarHBondContact CB-OE2 3.46Å; L83-E107 HydrophobicContact CD2-CB 4.11Å
84	F	95.3	Very high	95.2	Very high	90 Å²	90	42.5 Å²	42.5	40%	0.395	21%	0.213	S	C	.	.	H	α-helix	trans	-54	-45.6	172.9	173.2	-103.4	0	0	0	111.2	S86 M87 Y88 E107 G109 A112	F84-S86 PolarHBondContact O-N 2.9Å; F84-S86 VanDerWaalsContact O-N 3.11Å; F84-M87 PolarHBondContact O-N 3.31Å; F84-Y88 WeakPolarHBondContact O-CB 3.29Å; F84-Y88 WeakPolarHBondContact O-CD1 3.33Å; F84-Y88 PolarHBondContact O-N 2.85Å; F84-E107 PolarHBondContact N-OE2 2.83Å; F84-G109 WeakPolarHBondContact CD2-O 3.33Å; F84-A112 HydrophobicContact CE2-CB 4.47Å
85	T	93	Very high	95.3	Very high	91 Å²	91	45 Å²	45	56%	0.558	23%	0.226	S	C	*	.	H	α-helix	trans	-59.3	-22.1	175.2	55.8	0	0	0	0	113.9	L83 Y88	L83-T85 VanDerWaalsContact C-N 3.27Å; L83-T85 PolarHBondContact O-N 3.06Å; T85-Y88 WeakPolarHBondContact O-CD1 3.34Å; T85-Y88 VanDerWaalsContact O-CE1 3.3Å; T85-Y88 WeakPolarHBondContact O-CE1 3.43Å
86	S	93.3	Very high	95.4	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-90.6	-23.3	176.4	77.1	0	0	0	0	113.4	L83 F84 R89	L83-S86 PolarHBondContact N-OG 2.88Å; L83-S86 VanDerWaalsContact N-OG 3.15Å; L83-S86 WeakPolarHBondContact O-CA 3.21Å; L83-S86 WeakPolarHBondContact O-CB 3.47Å; L83-S86 PolarHBondContact O-N 2.93Å; L83-S86 PolarHBondContact O-OG 3.45Å; F84-S86 PolarHBondContact O-N 2.9Å; F84-S86 VanDerWaalsContact O-N 3.11Å; S86-R89 PolarHBondContact O-NH1 3.03Å
87	M	94.9	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-105	-33.5	-172.7	-73.1	-54.9	-56.5	0	0	114.9	I61 V82 L83 F84 R89 F90 L93 L96 A110 F111 Q114	I61-M87 HydrophobicContact CD1-CG 4.43Å; I61-M87 HydrophobicContact CD1-SD 3.48Å; I61-M87 WeakPolarHBondContact CD1-SD 3.47Å; V82-M87 HydrophobicContact CG1-CG 3.53Å; V82-M87 HydrophobicContact CG1-SD 4.08Å; L83-M87 PolarHBondContact O-N 3Å; L83-M87 VanDerWaalsContact O-N 3.12Å; F84-M87 PolarHBondContact O-N 3.31Å; M87-R89 PolarHBondContact O-N 3.33Å; M87-F90 HydrophobicContact CE-CD2 4.16Å; M87-F90 WeakPolarHBondContact O-CD2 3.02Å; M87-F90 PolarHBondContact O-N 2.02Å; M87-F90 HydrophobicContact SD-CD2 4.41Å; M87-L93 HydrophobicContact CE-CD2 3.83Å; M87-L96 HydrophobicContact CE-CD2 3.59Å; M87-L96 HydrophobicContact SD-CD2 4.27Å; M87-A110 VanDerWaalsContact CB-O 3.26Å; M87-A110 WeakPolarHBondContact CB-O 3.4Å; M87-F111 HydrophobicContact CE-CD1 4.23Å; M87-F111 HydrophobicContact CE-CE1 4.27Å; M87-F111 HydrophobicContact CG-CD1 4.39Å; M87-F111 HydrophobicContact CG-CE1 4.35Å; M87-Q114 HydrophobicContact CE-CG 3.87Å; M87-Q114 PolarHBondContact O-NE2 3.28Å
88	Y	93.6	Very high	95.6	Very high	127 Å²	127	41.8 Å²	41.8	50%	0.498	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-27	-165.6	78.6	-81.3	0	0	0	115.9	F84 T85 F90	F84-Y88 WeakPolarHBondContact O-CB 3.29Å; F84-Y88 WeakPolarHBondContact O-CD1 3.33Å; F84-Y88 PolarHBondContact O-N 2.85Å; T85-Y88 WeakPolarHBondContact O-CD1 3.34Å; T85-Y88 VanDerWaalsContact O-CE1 3.3Å; T85-Y88 WeakPolarHBondContact O-CE1 3.43Å; Y88-F90 VanDerWaalsContact C-N 3.33Å; Y88-F90 PolarHBondContact O-N 2.9Å
89	R	92.9	Very high	95.7	Very high	40 Å²	40	38.4 Å²	38.4	15%	0.151	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.4	-179.9	73.2	-177.4	169.5	-67.9	-2.4	114.5	P62 I65 S67 S86 M87 T91	P62-R89 PolarHBondContact O-NH2 3.22Å; I65-R89 PolarHBondContact O-NE 2.87Å; S67-R89 WeakPolarHBondContact CB-O 3.01Å; S86-R89 PolarHBondContact O-NH1 3.03Å; M87-R89 PolarHBondContact O-N 3.33Å; R89-T91 PolarHBondContact O-N 3.42Å
90	F	94.1	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.			trans	-91.9	66.5	-174.2	-54.5	-64.4	0	0	0	111.7	I61 I65 N66 L72 M87 Y88 N92 L93 Q114	I61-F90 HydrophobicContact CG2-CE2 4Å; I61-F90 HydrophobicContact CG2-CZ 4.39Å; I65-F90 HydrophobicContact CB-CE1 4.16Å; I65-F90 HydrophobicContact CB-CZ 4.14Å; I65-F90 HydrophobicContact CG2-CE1 3.86Å; I65-F90 HydrophobicContact CG2-CZ 4.2Å; N66-F90 WeakPolarHBondContact O-CE1 3.41Å; L72-F90 HydrophobicContact CD2-CD2 4.25Å; L72-F90 HydrophobicContact CD2-CE1 4.37Å; L72-F90 HydrophobicContact CD2-CE2 3.89Å; L72-F90 HydrophobicContact CD2-CZ 3.93Å; M87-F90 HydrophobicContact CE-CD2 4.16Å; M87-F90 WeakPolarHBondContact O-CD2 3.02Å; M87-F90 PolarHBondContact O-N 2.02Å; M87-F90 HydrophobicContact SD-CD2 4.41Å; Y88-F90 VanDerWaalsContact C-N 3.33Å; Y88-F90 PolarHBondContact O-N 2.9Å; F90-N92 VanDerWaalsContact C-N 3.29Å; F90-N92 PolarHBondContact O-N 3.04Å; F90-L93 HydrophobicContact CB-CB 4.06Å; F90-L93 HydrophobicContact CB-CD2 4.18Å; F90-L93 WeakPolarHBondContact O-CB 3.43Å; F90-Q114 PolarHBondContact O-NE2 2.94Å
91	T	93.1	Very high	95.8	Very high	69 Å²	69	39.3 Å²	39.3	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.5	-174.5	56.2	0	0	0	0	114	R89 N116	R89-T91 PolarHBondContact O-N 3.42Å; T91-N116 PolarHBondContact O-ND2 3.13Å
92	N	93.3	Very high	95.9	Very high	64 Å²	64	41 Å²	41	34%	0.342	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	2.7	-175.5	-61.4	5.1	0	0	0	112.6	H70 F90 T94	H70-N92 PolarHBondContact CD2-O 3.32Å; F90-N92 VanDerWaalsContact C-N 3.29Å; F90-N92 PolarHBondContact O-N 3.04Å; N92-T94 PolarHBondContact O-N 2.78Å
93	L	96.1	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.			trans	-63.8	123.6	-175	-159	70.1	0	0	0	111	V69 H70 L72 M87 F90 L96 Q114 N116 L117	V69-L93 HydrophobicContact CG1-CD1 4.06Å; H70-L93 WeakPolarHBondContact O-CD1 3.38Å; L72-L93 HydrophobicContact CB-CD1 3.59Å; M87-L93 HydrophobicContact CE-CD2 3.83Å; F90-L93 HydrophobicContact CB-CB 4.06Å; F90-L93 HydrophobicContact CB-CD2 4.18Å; F90-L93 WeakPolarHBondContact O-CB 3.43Å; L93-L96 HydrophobicContact CD2-CB 3.99Å; L93-L96 HydrophobicContact CD2-CD1 4.29Å; L93-L96 HydrophobicContact CD2-CD2 4.08Å; L93-L96 HydrophobicContact CD2-CG 4.35Å; L93-Q114 HydrophobicContact CD2-CG 4.37Å; L93-N116 CarbonylContact O-C 3.06Å; L93-L117 HydrophobicContact CB-CD1 4.33Å; L93-L117 HydrophobicContact CD2-CD1 3.99Å; L93-L117 HydrophobicContact CG-CD1 3.89Å; L93-L117 VanDerWaalsContact O-CA 3.25Å; L93-L117 WeakPolarHBondContact O-CA 3.47Å; L93-L117 PolarHBondContact O-N 2.87Å; L93-L117 VanDerWaalsContact O-N 3.07Å
94	T	97.1	Very high	96	Very high	25 Å²	25	41.2 Å²	41.2	15%	0.153	21%	0.212	C	C	.	.			trans	-105.2	-32	174.6	56.1	0	0	0	0	111.7	H70 N92 Q118 V119	H70-T94 PolarHBondContact O-N 2.78Å; H70-T94 PolarHBondContact O-OG1 2.88Å; N92-T94 PolarHBondContact O-N 2.78Å; T94-Q118 PolarHBondContact O-N 2.97Å; T94-V119 PolarHBondContact O-N 2.7Å
95	D	98.1	Very high	96.1	Very high	52 Å²	52	42.7 Å²	42.7	28%	0.278	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.1	-172.1	-62.1	-98.4	0	0	0	110.1	H70 D71 L72 V119	H70-D95 PolarHBondContact O-N 3Å; D71-D95 WeakPolarHBondContact CA-O 3.48Å; D71-D95 HydrophobicContact CB-CB 4.12Å; L72-D95 PolarHBondContact N-O 3.34Å; D95-V119 WeakPolarHBondContact OD1-CB 3.44Å; D95-V119 VanDerWaalsContact OD1-CG2 3.31Å; D95-V119 WeakPolarHBondContact OD1-CG2 3.33Å
96	L	98	Very high	96.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.6	-178.8	178.8	53.5	0	0	0	110.7	L72 M87 L93 L98 F111 L117 V119 L120 Q121	L72-L96 HydrophobicContact CB-CD1 4.15Å; L72-L96 HydrophobicContact CD2-CD1 4.11Å; L72-L96 HydrophobicContact CG-CD1 4.1Å; M87-L96 HydrophobicContact CE-CD2 3.59Å; M87-L96 HydrophobicContact SD-CD2 4.27Å; L93-L96 HydrophobicContact CD2-CB 3.99Å; L93-L96 HydrophobicContact CD2-CD1 4.29Å; L93-L96 HydrophobicContact CD2-CD2 4.08Å; L93-L96 HydrophobicContact CD2-CG 4.35Å; L96-L98 HydrophobicContact CD1-CD1 4.23Å; L96-L98 HydrophobicContact CD1-CD2 4.25Å; L96-L98 HydrophobicContact CD1-CG 3.93Å; L96-L98 HydrophobicContact CD2-CD1 3.91Å; L96-L98 HydrophobicContact CD2-CG 4.49Å; L96-L98 HydrophobicContact CG-CD1 3.92Å; L96-L98 HydrophobicContact CG-CG 3.99Å; L96-F111 HydrophobicContact CD2-CE1 3.85Å; L96-L117 HydrophobicContact CB-CD1 3.77Å; L96-L117 HydrophobicContact CB-CD2 4.46Å; L96-V119 PolarHBondContact N-O 3.14Å; L96-L120 HydrophobicContact CB-CD1 4.12Å; L96-L120 HydrophobicContact CD2-CD1 3.91Å; L96-L120 HydrophobicContact CG-CD1 3.99Å; L96-Q121 PolarHBondContact O-N 3.12Å
97	N	98.3	Very high	96.5	Very high	27 Å²	27	40.7 Å²	40.7	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107	177.8	-172.3	-4.8	0	0	0	111.8	L72 R73 L74 N75 T99 Q121	L72-N97 PolarHBondContact O-N 2.94Å; R73-N97 HydrophobicContact CB-CB 4.46Å; R73-N97 HydrophobicContact CG-CB 4.41Å; L74-N97 CarbonylContact C-O 3.52Å; L74-N97 WeakPolarHBondContact CA-O 3.45Å; L74-N97 PolarHBondContact N-O 2.84Å; N75-N97 PolarHBondContact N-O 3.07Å; N97-T99 WeakPolarHBondContact OD1-CB 3.45Å; N97-T99 PolarHBondContact OD1-N 2.98Å; N97-T99 PolarHBondContact OD1-OG1 3.07Å; N97-Q121 HydrophobicContact CB-CB 4.48Å; N97-Q121 PolarHBondContact ND2-OE1 2.78Å; N97-Q121 PolarHBondContact OD1-OE1 2.89Å
98	L	98	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.			trans	-113.1	15.4	177.5	-66	166.5	0	0	0	111.9	L74 L79 V82 L96 N101 I103 L120 Q121 L122 N125	L74-L98 HydrophobicContact CB-CD2 3.97Å; L74-L98 HydrophobicContact CD1-CD2 4.22Å; L79-L98 HydrophobicContact CD1-CD2 3.44Å; L79-L98 VanDerWaalsContact CD1-CD2 3.44Å; V82-L98 HydrophobicContact CG2-CD1 3.88Å; L96-L98 HydrophobicContact CD1-CD1 4.23Å; L96-L98 HydrophobicContact CD1-CD2 4.25Å; L96-L98 HydrophobicContact CD1-CG 3.93Å; L96-L98 HydrophobicContact CD2-CD1 3.91Å; L96-L98 HydrophobicContact CD2-CG 4.49Å; L96-L98 HydrophobicContact CG-CD1 3.92Å; L96-L98 HydrophobicContact CG-CG 3.99Å; L98-N101 PolarHBondContact O-ND2 3Å; L98-I103 HydrophobicContact CB-CD1 3.83Å; L98-I103 HydrophobicContact CD1-CD1 4.21Å; L98-I103 HydrophobicContact CD2-CD1 4.33Å; L98-I103 HydrophobicContact CG-CD1 4.36Å; L98-L120 HydrophobicContact CD1-CD1 4.49Å; L98-Q121 CarbonylContact C-O 3.49Å; L98-Q121 WeakPolarHBondContact CA-O 3.31Å; L98-Q121 WeakPolarHBondContact CB-O 3.29Å; L98-Q121 PolarHBondContact N-O 3.03Å; L98-L122 HydrophobicContact CB-CD2 3.95Å; L98-L122 HydrophobicContact CD1-CD2 3.81Å; L98-N125 PolarHBondContact O-ND2 3.37Å
99	T	98.1	Very high	96.6	Very high	23 Å²	23	39.9 Å²	39.9	14%	0.141	21%	0.206	C	C	.	.			trans	-60.3	145.8	-174.7	-53.4	0	0	0	0	112.5	N75 E76 N97 N101 Q121 G123 Y124	N75-T99 CarbonylContact C-O 3.28Å; N75-T99 WeakPolarHBondContact CA-O 3.45Å; N75-T99 WeakPolarHBondContact CB-O 3.4Å; E76-T99 PolarHBondContact N-O 3.45Å; N97-T99 WeakPolarHBondContact OD1-CB 3.45Å; N97-T99 PolarHBondContact OD1-N 2.98Å; N97-T99 PolarHBondContact OD1-OG1 3.07Å; T99-N101 PolarHBondContact O-ND2 3.23Å; T99-Q121 PolarHBondContact N-O 3.09Å; T99-Q121 VanDerWaalsContact OG1-CB 3.3Å; T99-Q121 WeakPolarHBondContact OG1-CB 3.27Å; T99-G123 CarbonylContact C-O 3.5Å; T99-G123 VanDerWaalsContact CA-O 3.26Å; T99-G123 WeakPolarHBondContact CA-O 3.31Å; T99-G123 WeakPolarHBondContact CG2-O 3.38Å; T99-Y124 HydrophobicContact CG2-CD2 3.93Å
100	K	97.8	Very high	96.8	Very high	97 Å²	97	38 Å²	38	42%	0.422	20%	0.199	S	C	.	.	S	Bend	trans	53.9	58	-178.5	-64.5	164.6	-174.4	176.7	0	112.3	E76 G123 Y124	E76-K100 WeakPolarHBondContact CA-O 3.21Å; E76-K100 HydrophobicContact CG-CB 3.71Å; E76-K100 HydrophobicContact CG-CD 3.48Å; E76-K100 VanDerWaalsContact CG-CD 3.48Å; E76-K100 HydrophobicContact CG-CG 4.28Å; E76-K100 PolarHBondContact N-O 3.39Å; E76-K100 WeakPolarHBondContact OE1-CD 3.33Å; E76-K100 WeakPolarHBondContact OE1-CE 3.39Å; E76-K100 IonicContact OE1-NZ 3.32Å; E76-K100 PolarHBondContact OE1-NZ 3.1Å; K100-G123 PolarHBondContact N-O 3.08Å; K100-Y124 VanDerWaalsContact CA-O 3.29Å; K100-Y124 WeakPolarHBondContact CA-O 3.39Å; K100-Y124 HydrophobicContact CG-CD2 4.03Å; K100-Y124 HydrophobicContact CG-CG 3.97Å
101	N	97.9	Very high	96.9	Very high	11 Å²	11	38 Å²	38	6%	0.059	20%	0.199	C	C	.	.	S	Bend	trans	-119.2	-166.5	171.1	-88.9	-82.6	0	0	0	109.7	L74 N77 K78 L79 L98 T99 I103 Y124 N125	L74-N101 PolarHBondContact O-ND2 3.28Å; N77-N101 VanDerWaalsContact CA-OD1 3.31Å; N77-N101 WeakPolarHBondContact CA-OD1 3.42Å; N77-N101 WeakPolarHBondContact CB-OD1 3.38Å; N77-N101 PolarHBondContact N-OD1 2.03Å; N77-N101 PolarHBondContact O-OD1 3.21Å; K78-N101 PolarHBondContact N-OD1 3.27Å; L79-N101 HydrophobicContact CB-CB 4.14Å; L79-N101 WeakPolarHBondContact CB-OD1 3.42Å; L79-N101 VanDerWaalsContact CG-OD1 3.31Å; L79-N101 WeakPolarHBondContact CG-OD1 3.31Å; L79-N101 PolarHBondContact N-OD1 2.84Å; L98-N101 PolarHBondContact O-ND2 3Å; T99-N101 PolarHBondContact O-ND2 3.23Å; N101-I103 HydrophobicContact CB-CD1 4.12Å; N101-I103 HydrophobicContact CB-CG1 3.94Å; N101-Y124 PolarHBondContact N-O 2.83Å; N101-N125 VanDerWaalsContact CA-OD1 3.29Å; N101-N125 WeakPolarHBondContact CA-OD1 3.31Å; N101-N125 WeakPolarHBondContact CB-OD1 3.19Å; N101-N125 PolarHBondContact N-OD1 3.02Å; N101-N125 PolarHBondContact O-OD1 2.63Å
102	E	97.8	Very high	97	Very high	64 Å²	64	37.2 Å²	37.2	30%	0.299	20%	0.2	S	C	.	.			trans	-108.8	23.9	176.1	-60.5	-162.1	-135.8	0	0	112.3	L79 K80 S104 K126	L79-E102 CarbonylContact O-C 3.17Å; L79-E102 VanDerWaalsContact O-CA 3.31Å; L79-E102 WeakPolarHBondContact O-CA 3.49Å; L79-E102 PolarHBondContact O-N 3.26Å; K80-E102 HydrophobicContact CG-CB 4.43Å; E102-S104 PolarHBondContact O-N 2.91Å; E102-S104 VanDerWaalsContact O-N 3.12Å; E102-K126 HydrophobicContact CB-CD 4.19Å; E102-K126 IonicContact OE2-NZ 2.63Å; E102-K126 PolarHBondContact OE2-NZ 2.96Å
103	I	98.3	Very high	96.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.			trans	-68.3	112.8	-168.5	-57.7	168.3	0	0	0	109.6	L79 K80 V82 L98 N101 Y105 I106 L122 N125 K126 L127	L79-I103 HydrophobicContact CB-CD1 4.31Å; L79-I103 HydrophobicContact CB-CG1 3.99Å; L79-I103 VanDerWaalsContact O-CG1 3.27Å; L79-I103 WeakPolarHBondContact O-CG1 3.39Å; L79-I103 PolarHBondContact O-N 2.57Å; K80-I103 WeakPolarHBondContact O-CA 3.32Å; V82-I103 HydrophobicContact CG2-CD1 3.98Å; V82-I103 HydrophobicContact CG2-CG2 4.27Å; L98-I103 HydrophobicContact CB-CD1 3.83Å; L98-I103 HydrophobicContact CD1-CD1 4.21Å; L98-I103 HydrophobicContact CD2-CD1 4.33Å; L98-I103 HydrophobicContact CG-CD1 4.36Å; N101-I103 HydrophobicContact CB-CD1 4.12Å; N101-I103 HydrophobicContact CB-CG1 3.94Å; I103-Y105 WeakPolarHBondContact CG2-O 3.43Å; I103-I106 HydrophobicContact CG2-CG1 4.16Å; I103-L122 HydrophobicContact CD1-CD2 4.02Å; I103-N125 HydrophobicContact CB-CB 4.26Å; I103-N125 VanDerWaalsContact CB-OD1 3.28Å; I103-N125 WeakPolarHBondContact CB-OD1 3.21Å; I103-N125 WeakPolarHBondContact CG1-OD1 3.43Å; I103-N125 PolarHBondContact N-OD1 3.26Å; I103-K126 CarbonylContact O-C 3.54Å; I103-K126 VanDerWaalsContact O-C 3.25Å; I103-K126 VanDerWaalsContact O-CA 3.31Å; I103-K126 WeakPolarHBondContact O-CA 3.21Å; I103-K126 PolarHBondContact O-N 2.68Å; I103-L127 HydrophobicContact CG2-CD2 4Å; I103-L127 PolarHBondContact O-N 3.04Å
104	S	97.3	Very high	96.9	Very high	67 Å²	67	35.2 Å²	35.2	47%	0.469	19%	0.194	S	C	.	.			trans	-111.2	-2.5	175.1	66.1	0	0	0	0	113.5	K80 E102	K80-S104 PolarHBondContact O-N 3.43Å; K80-S104 VanDerWaalsContact O-N 3.08Å; E102-S104 PolarHBondContact O-N 2.91Å; E102-S104 VanDerWaalsContact O-N 3.12Å
105	Y	96.6	Very high	96.8	Very high	122 Å²	122	36.6 Å²	36.6	48%	0.478	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.1	-177.6	179.7	-111.1	0	0	0	111.3	A81 V82 L83 I103 E107	A81-Y105 WeakPolarHBondContact CA-O 3.24Å; A81-Y105 HydrophobicContact CB-CD1 4.13Å; V82-Y105 PolarHBondContact N-O 2.97Å; V82-Y105 VanDerWaalsContact N-O 3.11Å; L83-Y105 HydrophobicContact CD2-CD1 4.5Å; L83-Y105 HydrophobicContact CD2-CE1 4.27Å; I103-Y105 WeakPolarHBondContact CG2-O 3.43Å; Y105-E107 HydrophobicContact CE1-CB 4.14Å
106	I	97.8	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.3	167.5	-60.6	177.4	0	0	0	105.7	V82 I103 A110 F111 L122 L127 M134	V82-I106 HydrophobicContact CB-CG1 4.13Å; V82-I106 HydrophobicContact CB-CG2 4.26Å; V82-I106 HydrophobicContact CG2-CG1 4.22Å; V82-I106 WeakPolarHBondContact O-CA 3.32Å; I103-I106 HydrophobicContact CG2-CG1 4.16Å; I106-A110 HydrophobicContact CG2-CB 3.71Å; I106-F111 HydrophobicContact CD1-CE2 4.27Å; I106-F111 HydrophobicContact CD1-CZ 4.41Å; I106-F111 HydrophobicContact CG2-CE2 3.88Å; I106-F111 HydrophobicContact CG2-CZ 4.3Å; I106-L122 HydrophobicContact CD1-CD1 3.77Å; I106-L122 HydrophobicContact CD1-CD2 4.17Å; I106-L127 HydrophobicContact CD1-CD1 4.29Å; I106-L127 HydrophobicContact CD1-CD2 4.26Å; I106-L127 HydrophobicContact CG1-CD2 4.15Å; I106-M134 HydrophobicContact CB-CB 4.5Å; I106-M134 HydrophobicContact CB-CE 3.97Å; I106-M134 HydrophobicContact CB-CG 4.01Å; I106-M134 HydrophobicContact CD1-CE 4.11Å; I106-M134 HydrophobicContact CG1-CE 4.22Å; I106-M134 HydrophobicContact CG2-CB 4.39Å; I106-M134 HydrophobicContact CG2-CG 4.31Å
107	E	96.9	Very high	96.7	Very high	63 Å²	63	36.5 Å²	36.5	29%	0.294	21%	0.207	S	C	.	.			trans	-66.6	139	178.7	-171.8	173.6	-161.6	0	0	110.7	V82 L83 F84 Y105 G109 A110	V82-E107 PolarHBondContact O-N 2.93Å; L83-E107 VanDerWaalsContact CA-OE2 3.27Å; L83-E107 WeakPolarHBondContact CA-OE2 3.32Å; L83-E107 WeakPolarHBondContact CB-OE2 3.46Å; L83-E107 HydrophobicContact CD2-CB 4.11Å; F84-E107 PolarHBondContact N-OE2 2.83Å; Y105-E107 HydrophobicContact CE1-CB 4.14Å; E107-G109 PolarHBondContact O-N 3.16Å; E107-A110 HydrophobicContact CB-CB 4.19Å; E107-A110 WeakPolarHBondContact O-CB 3.38Å; E107-A110 PolarHBondContact O-N 2.82Å
108	D	96	Very high	96.7	Very high	96 Å²	96	38.5 Å²	38.5	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	120.9	175.7	-76.8	-33.2	0	0	0	109.2	T131 G133 M134	D108-T131 PolarHBondContact OD1-OG1 2.68Å; D108-G133 VanDerWaalsContact OD1-C 3.3Å; D108-G133 WeakPolarHBondContact OD1-CA 3.41Å; D108-G133 PolarHBondContact OD1-N 2.64Å; D108-M134 PolarHBondContact OD1-N 2.89Å
109	G	95.2	Very high	96.7	Very high	13 Å²	13	39.8 Å²	39.8	13%	0.134	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	8.3	-171.4	0	0	0	0	0	115.4	F84 E107 F111 A112 G133	F84-G109 WeakPolarHBondContact CD2-O 3.33Å; E107-G109 PolarHBondContact O-N 3.16Å; G109-F111 PolarHBondContact O-N 3.47Å; G109-F111 VanDerWaalsContact O-N 3.09Å; G109-A112 WeakPolarHBondContact O-CB 3.31Å; G109-A112 PolarHBondContact O-N 2.91Å; G109-G133 PolarHBondContact N-O 3.23Å
110	A	96.7	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.2	178.9	0	0	0	0	0	113.6	V82 M87 I106 E107 Q114	V82-A110 HydrophobicContact CG1-CB 4.29Å; M87-A110 VanDerWaalsContact CB-O 3.26Å; M87-A110 WeakPolarHBondContact CB-O 3.4Å; I106-A110 HydrophobicContact CG2-CB 3.71Å; E107-A110 HydrophobicContact CB-CB 4.19Å; E107-A110 WeakPolarHBondContact O-CB 3.38Å; E107-A110 PolarHBondContact O-N 2.82Å; A110-Q114 PolarHBondContact O-OE1 3.29Å
111	F	96.8	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	12.6	-179.7	-54.7	-60.2	0	0	0	114.5	V82 M87 L96 I106 G109 G113 Q114 L120 M134 L135 R136 L138	V82-F111 HydrophobicContact CG1-CE1 3.91Å; V82-F111 HydrophobicContact CG1-CZ 4.06Å; M87-F111 HydrophobicContact CE-CD1 4.23Å; M87-F111 HydrophobicContact CE-CE1 4.27Å; M87-F111 HydrophobicContact CG-CD1 4.39Å; M87-F111 HydrophobicContact CG-CE1 4.35Å; L96-F111 HydrophobicContact CD2-CE1 3.85Å; I106-F111 HydrophobicContact CD1-CE2 4.27Å; I106-F111 HydrophobicContact CD1-CZ 4.41Å; I106-F111 HydrophobicContact CG2-CE2 3.88Å; I106-F111 HydrophobicContact CG2-CZ 4.3Å; G109-F111 PolarHBondContact O-N 3.47Å; G109-F111 VanDerWaalsContact O-N 3.09Å; F111-G113 PolarHBondContact O-N 2.94Å; F111-Q114 HydrophobicContact CB-CB 4.28Å; F111-Q114 WeakPolarHBondContact O-CB 3.49Å; F111-Q114 PolarHBondContact O-N 2.81Å; F111-L120 HydrophobicContact CD2-CD2 4.43Å; F111-L120 HydrophobicContact CE2-CD2 3.89Å; F111-L120 HydrophobicContact CZ-CD1 4.32Å; F111-L120 HydrophobicContact CZ-CD2 4.04Å; F111-M134 VanDerWaalsContact CD2-O 3.22Å; F111-M134 WeakPolarHBondContact CD2-O 3.38Å; F111-L135 HydrophobicContact CE2-CD2 4.49Å; F111-R136 CarbonylContact C-O 3.56Å; F111-R136 VanDerWaalsContact C-O 3.27Å; F111-L138 HydrophobicContact CB-CD1 4.17Å; F111-L138 HydrophobicContact CB-CD2 3.65Å; F111-L138 HydrophobicContact CB-CG 3.85Å; F111-L138 HydrophobicContact CD2-CD1 3.86Å; F111-L138 HydrophobicContact CD2-CG 4.47Å; F111-L138 HydrophobicContact CG-CD1 4.21Å; F111-L138 HydrophobicContact CG-CD2 4.21Å; F111-L138 HydrophobicContact CG-CG 4.42Å
112	A	94.9	Very high	96.8	Very high	54 Å²	54	36.6 Å²	36.6	45%	0.446	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.9	-176.6	0	0	0	0	0	114.3	F84 G109 R136	F84-A112 HydrophobicContact CE2-CB 4.47Å; G109-A112 WeakPolarHBondContact O-CB 3.31Å; G109-A112 PolarHBondContact O-N 2.91Å; A112-R136 PolarHBondContact N-O 2.95Å
113	G	92.1	Very high	96.8	Very high	22 Å²	22	33.5 Å²	33.5	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.8	171.7	0	0	0	0	0	114.5	F111 A115	F111-G113 PolarHBondContact O-N 2.94Å; G113-A115 PolarHBondContact O-N 2.92Å
114	Q	96	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.			trans	-99.6	41.9	-167.1	-76.3	54.6	65.4	0	0	111.7	M87 F90 L93 A110 F111 N116 L117 L138	M87-Q114 HydrophobicContact CE-CG 3.87Å; M87-Q114 PolarHBondContact O-NE2 3.28Å; F90-Q114 PolarHBondContact O-NE2 2.94Å; L93-Q114 HydrophobicContact CD2-CG 4.37Å; A110-Q114 PolarHBondContact O-OE1 3.29Å; F111-Q114 HydrophobicContact CB-CB 4.28Å; F111-Q114 WeakPolarHBondContact O-CB 3.49Å; F111-Q114 PolarHBondContact O-N 2.81Å; Q114-N116 PolarHBondContact O-N 2.95Å; Q114-L117 HydrophobicContact CB-CB 4.2Å; Q114-L117 VanDerWaalsContact O-CB 3.31Å; Q114-L117 WeakPolarHBondContact O-CB 3.19Å; Q114-L117 PolarHBondContact O-N 3.38Å; Q114-L138 HydrophobicContact CB-CD2 4.36Å
115	A	94.1	Very high	96.9	Very high	53 Å²	53	36 Å²	36	44%	0.438	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.2	-175.8	0	0	0	0	0	115	G113 R140	G113-A115 PolarHBondContact O-N 2.92Å; A115-R140 WeakPolarHBondContact O-CB 3.29Å; A115-R140 VanDerWaalsContact O-CD 3.24Å; A115-R140 WeakPolarHBondContact O-CD 3.42Å; A115-R140 WeakPolarHBondContact O-CG 3.45Å
116	N	96.2	Very high	96.9	Very high	52 Å²	52	34.3 Å²	34.3	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.8	175.4	-68.4	-57.9	0	0	0	114.3	T91 L93 Q114 Q118 R140	T91-N116 PolarHBondContact O-ND2 3.13Å; L93-N116 CarbonylContact O-C 3.06Å; Q114-N116 PolarHBondContact O-N 2.95Å; N116-Q118 PolarHBondContact O-N 2.79Å; N116-R140 PolarHBondContact OD1-NH1 2.95Å
117	L	97.8	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.			trans	-67.1	130.1	-175.5	-164.6	77.1	0	0	0	110.5	L93 L96 Q114 L120 L138 R140 M141	L93-L117 HydrophobicContact CB-CD1 4.33Å; L93-L117 HydrophobicContact CD2-CD1 3.99Å; L93-L117 HydrophobicContact CG-CD1 3.89Å; L93-L117 VanDerWaalsContact O-CA 3.25Å; L93-L117 WeakPolarHBondContact O-CA 3.47Å; L93-L117 PolarHBondContact O-N 2.87Å; L93-L117 VanDerWaalsContact O-N 3.07Å; L96-L117 HydrophobicContact CB-CD1 3.77Å; L96-L117 HydrophobicContact CB-CD2 4.46Å; Q114-L117 HydrophobicContact CB-CB 4.2Å; Q114-L117 VanDerWaalsContact O-CB 3.31Å; Q114-L117 WeakPolarHBondContact O-CB 3.19Å; Q114-L117 PolarHBondContact O-N 3.38Å; L117-L120 HydrophobicContact CD2-CB 4.02Å; L117-L120 HydrophobicContact CD2-CD1 4.37Å; L117-L120 HydrophobicContact CD2-CD2 4.37Å; L117-L120 HydrophobicContact CD2-CG 4.49Å; L117-L138 HydrophobicContact CB-CD2 3.89Å; L117-L138 HydrophobicContact CD2-CD2 3.64Å; L117-L138 HydrophobicContact CG-CD2 4.37Å; L117-R140 CarbonylContact O-C 3.54Å; L117-M141 WeakPolarHBondContact O-CA 3.44Å; L117-M141 PolarHBondContact O-N 3.07Å
118	Q	98.1	Very high	97	Very high	69 Å²	69	34.5 Å²	34.5	32%	0.322	20%	0.195	S	C	.	.			trans	-114.8	-37.6	-177.5	-70.2	172.1	87.6	0	0	111	T94 N116 Q142 C143	T94-Q118 PolarHBondContact O-N 2.97Å; N116-Q118 PolarHBondContact O-N 2.79Å; Q118-Q142 PolarHBondContact O-N 3.29Å; Q118-C143 PolarHBondContact O-N 2.97Å
119	V	98.6	Very high	97	Very high	28 Å²	28	33.5 Å²	33.5	17%	0.17	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	-179.7	-174.6	0	0	0	0	110.7	T94 D95 L96 Q121 C143 F145	T94-V119 PolarHBondContact O-N 2.7Å; D95-V119 WeakPolarHBondContact OD1-CB 3.44Å; D95-V119 VanDerWaalsContact OD1-CG2 3.31Å; D95-V119 WeakPolarHBondContact OD1-CG2 3.33Å; L96-V119 PolarHBondContact N-O 3.14Å; V119-Q121 HydrophobicContact CG1-CG 4.02Å; V119-C143 WeakPolarHBondContact CA-O 3.43Å; V119-C143 HydrophobicContact CG1-CB 4.3Å; V119-C143 HydrophobicContact CG2-CB 4.27Å; V119-F145 HydrophobicContact CG1-CD2 4.49Å; V119-F145 HydrophobicContact CG1-CE2 4.18Å
120	L	98.5	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.8	174.8	179.5	52.9	0	0	0	110	L96 L98 F111 L117 L122 L135 L138 M141 C143 L144 F145	L96-L120 HydrophobicContact CB-CD1 4.12Å; L96-L120 HydrophobicContact CD2-CD1 3.91Å; L96-L120 HydrophobicContact CG-CD1 3.99Å; L98-L120 HydrophobicContact CD1-CD1 4.49Å; F111-L120 HydrophobicContact CD2-CD2 4.43Å; F111-L120 HydrophobicContact CE2-CD2 3.89Å; F111-L120 HydrophobicContact CZ-CD1 4.32Å; F111-L120 HydrophobicContact CZ-CD2 4.04Å; L117-L120 HydrophobicContact CD2-CB 4.02Å; L117-L120 HydrophobicContact CD2-CD1 4.37Å; L117-L120 HydrophobicContact CD2-CD2 4.37Å; L117-L120 HydrophobicContact CD2-CG 4.49Å; L120-L122 HydrophobicContact CD1-CD1 4.12Å; L120-L122 HydrophobicContact CD1-CG 4.04Å; L120-L122 HydrophobicContact CD2-CD1 3.87Å; L120-L122 HydrophobicContact CG-CD1 3.86Å; L120-L122 HydrophobicContact CG-CG 4.14Å; L120-L135 HydrophobicContact CD2-CD2 4.2Å; L120-L138 HydrophobicContact CD2-CD1 4.05Å; L120-M141 HydrophobicContact CB-SD 3.85Å; L120-M141 HydrophobicContact CD2-SD 4.23Å; L120-C143 PolarHBondContact N-O 3.47Å; L120-L144 HydrophobicContact CB-CD1 4.03Å; L120-L144 HydrophobicContact CD2-CD1 3.94Å; L120-L144 HydrophobicContact CG-CD1 3.95Å; L120-F145 PolarHBondContact O-N 2.79Å
121	Q	98.6	Very high	97.1	Very high	62 Å²	62	35 Å²	35	29%	0.29	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.4	178.2	-49	-176.8	-16	0	0	110.3	L96 N97 L98 T99 V119 F145	L96-Q121 PolarHBondContact O-N 3.12Å; N97-Q121 HydrophobicContact CB-CB 4.48Å; N97-Q121 PolarHBondContact ND2-OE1 2.78Å; N97-Q121 PolarHBondContact OD1-OE1 2.89Å; L98-Q121 CarbonylContact C-O 3.49Å; L98-Q121 WeakPolarHBondContact CA-O 3.31Å; L98-Q121 WeakPolarHBondContact CB-O 3.29Å; L98-Q121 PolarHBondContact N-O 3.03Å; T99-Q121 PolarHBondContact N-O 3.09Å; T99-Q121 VanDerWaalsContact OG1-CB 3.3Å; T99-Q121 WeakPolarHBondContact OG1-CB 3.27Å; V119-Q121 HydrophobicContact CG1-CG 4.02Å; Q121-F145 HydrophobicContact CG-CD2 3.88Å
122	L	98.4	Very high	96.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.218	C	C	.	.			trans	-118.9	13.5	-179.9	-78.2	165	0	0	0	111.9	L98 I103 I106 L120 N125 L127 F145 L146 N149	L98-L122 HydrophobicContact CB-CD2 3.95Å; L98-L122 HydrophobicContact CD1-CD2 3.81Å; I103-L122 HydrophobicContact CD1-CD2 4.02Å; I106-L122 HydrophobicContact CD1-CD1 3.77Å; I106-L122 HydrophobicContact CD1-CD2 4.17Å; L120-L122 HydrophobicContact CD1-CD1 4.12Å; L120-L122 HydrophobicContact CD1-CG 4.04Å; L120-L122 HydrophobicContact CD2-CD1 3.87Å; L120-L122 HydrophobicContact CG-CD1 3.86Å; L120-L122 HydrophobicContact CG-CG 4.14Å; L122-N125 WeakPolarHBondContact O-CB 3.41Å; L122-N125 PolarHBondContact O-ND2 3.03Å; L122-L127 HydrophobicContact CB-CD1 4.47Å; L122-L127 HydrophobicContact CD1-CD1 4.39Å; L122-F145 CarbonylContact C-O 3.1Å; L122-F145 WeakPolarHBondContact CA-O 3.4Å; L122-F145 PolarHBondContact N-O 3.07Å; L122-L146 HydrophobicContact CB-CD2 3.73Å; L122-L146 HydrophobicContact CD1-CD2 3.95Å; L122-N149 PolarHBondContact O-ND2 3.02Å
123	G	98	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.			trans	-59.7	155.4	-179.1	0	0	0	0	0	114.7	T99 K100 N125 F145 Q147	T99-G123 CarbonylContact C-O 3.5Å; T99-G123 VanDerWaalsContact CA-O 3.26Å; T99-G123 WeakPolarHBondContact CA-O 3.31Å; T99-G123 WeakPolarHBondContact CG2-O 3.38Å; K100-G123 PolarHBondContact N-O 3.08Å; G123-N125 PolarHBondContact O-N 3.32Å; G123-N125 PolarHBondContact O-ND2 3.48Å; G123-N125 VanDerWaalsContact O-ND2 3.12Å; G123-F145 PolarHBondContact N-O 2.95Å; G123-Q147 CarbonylContact C-O 3.32Å; G123-Q147 WeakPolarHBondContact CA-O 3.24Å
124	Y	98.4	Very high	97	Very high	111 Å²	111	36.9 Å²	36.9	44%	0.435	19%	0.194	S	C	.	.	S	Bend	trans	53	47.9	-179.1	-57.6	-83.3	0	0	0	113.1	T99 K100 N101 Q147 H148	T99-Y124 HydrophobicContact CG2-CD2 3.93Å; K100-Y124 VanDerWaalsContact CA-O 3.29Å; K100-Y124 WeakPolarHBondContact CA-O 3.39Å; K100-Y124 HydrophobicContact CG-CD2 4.03Å; K100-Y124 HydrophobicContact CG-CG 3.97Å; N101-Y124 PolarHBondContact N-O 2.83Å; Y124-Q147 PolarHBondContact N-O 3.45Å; Y124-H148 WeakPolarHBondContact CA-O 3.45Å; Y124-H148 HydrophobicContact CD1-CB 3.48Å; Y124-H148 VanDerWaalsContact CD1-CB 3.48Å; Y124-H148 AromaticContact CD1-CD2 3.93Å; Y124-H148 AromaticContact CD1-CG 3.77Å; Y124-H148 HydrophobicContact CE1-CB 3.66Å; Y124-H148 AromaticContact CE1-CD2 3.16Å; Y124-H148 WeakPolarHBondContact CE1-CD2 3.2Å; Y124-H148 AromaticContact CE1-CG 3.37Å; Y124-H148 AromaticContact CE1-NE2 3.68Å; Y124-H148 AromaticContact CE2-CD2 3.99Å; Y124-H148 HydrophobicContact CG-CB 4.04Å; Y124-H148 AromaticContact CZ-CD2 3.19Å; Y124-H148 AromaticContact CZ-CG 3.9Å; Y124-H148 AromaticContact CZ-NE2 3.68Å; Y124-H148 PolarHBondContact OH-CD2 3.26Å; Y124-H148 PolarHBondContact OH-NE2 2.99Å
125	N	98.6	Very high	97	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-118.7	-163.5	176.2	-86.2	-76.6	0	0	0	110.7	L98 N101 I103 L122 G123 N149	L98-N125 PolarHBondContact O-ND2 3.37Å; N101-N125 VanDerWaalsContact CA-OD1 3.29Å; N101-N125 WeakPolarHBondContact CA-OD1 3.31Å; N101-N125 WeakPolarHBondContact CB-OD1 3.19Å; N101-N125 PolarHBondContact N-OD1 3.02Å; N101-N125 PolarHBondContact O-OD1 2.63Å; I103-N125 HydrophobicContact CB-CB 4.26Å; I103-N125 VanDerWaalsContact CB-OD1 3.28Å; I103-N125 WeakPolarHBondContact CB-OD1 3.21Å; I103-N125 WeakPolarHBondContact CG1-OD1 3.43Å; I103-N125 PolarHBondContact N-OD1 3.26Å; L122-N125 WeakPolarHBondContact O-CB 3.41Å; L122-N125 PolarHBondContact O-ND2 3.03Å; G123-N125 PolarHBondContact O-N 3.32Å; G123-N125 PolarHBondContact O-ND2 3.48Å; G123-N125 VanDerWaalsContact O-ND2 3.12Å; N125-N149 WeakPolarHBondContact CA-OD1 3.24Å; N125-N149 WeakPolarHBondContact CB-OD1 3.48Å; N125-N149 PolarHBondContact O-OD1 3.06Å
126	K	98.1	Very high	97.1	Very high	86 Å²	86	40.8 Å²	40.8	37%	0.374	20%	0.197	S	C	.	.			trans	-120.6	20.5	-172.5	-59.6	-179.3	-178.2	179.5	0	112.7	E102 I103 T128 N149	E102-K126 HydrophobicContact CB-CD 4.19Å; E102-K126 IonicContact OE2-NZ 2.63Å; E102-K126 PolarHBondContact OE2-NZ 2.96Å; I103-K126 CarbonylContact O-C 3.54Å; I103-K126 VanDerWaalsContact O-C 3.25Å; I103-K126 VanDerWaalsContact O-CA 3.31Å; I103-K126 WeakPolarHBondContact O-CA 3.21Å; I103-K126 PolarHBondContact O-N 2.68Å; K126-T128 PolarHBondContact O-N 2.76Å; K126-N149 PolarHBondContact N-OD1 2.89Å
127	L	98.4	Very high	96.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.193	C	C	.	.			trans	-64.8	131.9	179.6	-61.3	175.1	0	0	0	110.4	I103 I106 L122 M134 L146 N149 L150 I151	I103-L127 HydrophobicContact CG2-CD2 4Å; I103-L127 PolarHBondContact O-N 3.04Å; I106-L127 HydrophobicContact CD1-CD1 4.29Å; I106-L127 HydrophobicContact CD1-CD2 4.26Å; I106-L127 HydrophobicContact CG1-CD2 4.15Å; L122-L127 HydrophobicContact CB-CD1 4.47Å; L122-L127 HydrophobicContact CD1-CD1 4.39Å; L127-M134 HydrophobicContact CD2-CE 4.21Å; L127-L146 HydrophobicContact CD1-CD2 3.75Å; L127-N149 HydrophobicContact CB-CB 4.3Å; L127-N149 WeakPolarHBondContact CB-OD1 3.32Å; L127-N149 WeakPolarHBondContact CG-OD1 3.23Å; L127-N149 PolarHBondContact N-OD1 2.94Å; L127-L150 CarbonylContact O-C 3.16Å; L127-L150 VanDerWaalsContact O-CA 3.25Å; L127-L150 WeakPolarHBondContact O-CA 3.31Å; L127-L150 WeakPolarHBondContact O-CB 3.41Å; L127-L150 PolarHBondContact O-N 2.89Å; L127-I151 HydrophobicContact CB-CG1 4.19Å; L127-I151 PolarHBondContact O-N 3.47Å
128	T	97.5	Very high	96.7	Very high	66 Å²	66	39.2 Å²	39.2	41%	0.405	19%	0.193	S	C	.	.			trans	-108.4	-16.7	-177.7	53.2	0	0	0	0	113.9	K126 L150 I151 E152	K126-T128 PolarHBondContact O-N 2.76Å; T128-L150 WeakPolarHBondContact CA-O 3.16Å; T128-L150 HydrophobicContact CG2-CB 4.14Å; T128-I151 WeakPolarHBondContact O-CA 3.41Å; T128-E152 PolarHBondContact O-N 2.98Å
129	N	96.8	Very high	96.5	Very high	75 Å²	75	37.3 Å²	37.3	40%	0.401	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	169.5	177.6	57.3	14.1	0	0	0	111	I153	N129-I153 VanDerWaalsContact CA-O 3.22Å; N129-I153 WeakPolarHBondContact CA-O 3.4Å
130	L	96.8	Very high	96.4	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.3	165.5	-59.4	176.7	0	0	0	109	M134 L146 I151 I153 I154 A155 A158 F159	L130-M134 HydrophobicContact CD2-CE 3.88Å; L130-L146 HydrophobicContact CD1-CD1 3.78Å; L130-L146 HydrophobicContact CD2-CD1 4.2Å; L130-L146 HydrophobicContact CD2-CD2 4.41Å; L130-I151 HydrophobicContact CD1-CD1 4.39Å; L130-I151 HydrophobicContact CD2-CD1 4.19Å; L130-I151 HydrophobicContact CG-CD1 4.18Å; L130-I151 HydrophobicContact CG-CG2 4.41Å; L130-I153 PolarHBondContact N-O 3.32Å; L130-I153 VanDerWaalsContact N-O 3.1Å; L130-I154 HydrophobicContact CB-CG1 4.44Å; L130-I154 HydrophobicContact CB-CG2 4.21Å; L130-I154 HydrophobicContact CD1-CD1 3.98Å; L130-I154 HydrophobicContact CD1-CG1 3.92Å; L130-I154 HydrophobicContact CD1-CG2 4.15Å; L130-I154 HydrophobicContact CG-CG1 4.31Å; L130-A155 WeakPolarHBondContact O-CB 3.47Å; L130-A155 PolarHBondContact O-N 2.79Å; L130-A158 HydrophobicContact CB-CB 4.2Å; L130-F159 HydrophobicContact CD1-CE1 4.14Å; L130-F159 HydrophobicContact CD1-CZ 3.95Å
131	T	95.6	Very high	96.4	Very high	40 Å²	40	42.8 Å²	42.8	25%	0.245	21%	0.21	C	C	.	.			trans	-88.9	171.1	175.6	69.7	0	0	0	0	111.5	D108 G133 M134	D108-T131 PolarHBondContact OD1-OG1 2.68Å; T131-G133 VanDerWaalsContact C-N 3.28Å; T131-G133 PolarHBondContact O-N 3.05Å; T131-G133 PolarHBondContact OG1-N 3.16Å; T131-M134 HydrophobicContact CG2-CG 4.43Å; T131-M134 HydrophobicContact CG2-SD 3.93Å; T131-M134 PolarHBondContact N-SD 3.31Å; T131-M134 VanDerWaalsContact N-SD 3.42Å; T131-M134 WeakPolarHBondContact OG1-CG 3.46Å; T131-M134 PolarHBondContact OG1-N 2.84Å
132	E	92.9	Very high	96.3	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	21%	0.213	S	C	.	.	S	Bend	trans	-63.7	-30	168.4	-175.7	175.8	137.9	0	0	113.1	N157	E132-N157 HydrophobicContact CB-CB 4.16Å; E132-N157 HydrophobicContact CG-CB 3.64Å; E132-N157 VanDerWaalsContact OE2-CB 3.24Å; E132-N157 WeakPolarHBondContact OE2-CB 3.2Å; E132-N157 PolarHBondContact OE2-ND2 3.49Å
133	G	93.9	Very high	96.3	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	22%	0.222	C	C	.	.	S	Bend	trans	-89.7	-24.4	-175.5	0	0	0	0	0	115.2	D108 G109 T131 L135 R136	D108-G133 VanDerWaalsContact OD1-C 3.3Å; D108-G133 WeakPolarHBondContact OD1-CA 3.41Å; D108-G133 PolarHBondContact OD1-N 2.64Å; G109-G133 PolarHBondContact N-O 3.23Å; T131-G133 VanDerWaalsContact C-N 3.28Å; T131-G133 PolarHBondContact O-N 3.05Å; T131-G133 PolarHBondContact OG1-N 3.16Å; G133-L135 VanDerWaalsContact C-N 3.29Å; G133-L135 PolarHBondContact O-N 2.95Å; G133-R136 VanDerWaalsContact O-CB 3.23Å; G133-R136 WeakPolarHBondContact O-CB 3.18Å; G133-R136 PolarHBondContact O-N 3.03Å
134	M	96.4	Very high	96.4	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.034	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.5	-173.8	-82	165.9	69.1	0	0	114.1	I106 D108 F111 L127 L130 T131	I106-M134 HydrophobicContact CB-CB 4.5Å; I106-M134 HydrophobicContact CB-CE 3.97Å; I106-M134 HydrophobicContact CB-CG 4.01Å; I106-M134 HydrophobicContact CD1-CE 4.11Å; I106-M134 HydrophobicContact CG1-CE 4.22Å; I106-M134 HydrophobicContact CG2-CB 4.39Å; I106-M134 HydrophobicContact CG2-CG 4.31Å; D108-M134 PolarHBondContact OD1-N 2.89Å; F111-M134 VanDerWaalsContact CD2-O 3.22Å; F111-M134 WeakPolarHBondContact CD2-O 3.38Å; L127-M134 HydrophobicContact CD2-CE 4.21Å; L130-M134 HydrophobicContact CD2-CE 3.88Å; T131-M134 HydrophobicContact CG2-CG 4.43Å; T131-M134 HydrophobicContact CG2-SD 3.93Å; T131-M134 PolarHBondContact N-SD 3.31Å; T131-M134 VanDerWaalsContact N-SD 3.42Å; T131-M134 WeakPolarHBondContact OG1-CG 3.46Å; T131-M134 PolarHBondContact OG1-N 2.84Å
135	L	95.9	Very high	96.4	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	17.9	-177.3	-60.8	178.8	0	0	0	113.1	F111 L120 G133 L138 L144 F159	F111-L135 HydrophobicContact CE2-CD2 4.49Å; L120-L135 HydrophobicContact CD2-CD2 4.2Å; G133-L135 VanDerWaalsContact C-N 3.29Å; G133-L135 PolarHBondContact O-N 2.95Å; L135-L138 HydrophobicContact CB-CD1 4.06Å; L135-L138 HydrophobicContact CD2-CD1 3.85Å; L135-L138 WeakPolarHBondContact O-CB 3.31Å; L135-L138 WeakPolarHBondContact O-CG 3.42Å; L135-L138 PolarHBondContact O-N 2.83Å; L135-L144 HydrophobicContact CD1-CD2 3.69Å; L135-L144 HydrophobicContact CD2-CD2 4.49Å; L135-F159 HydrophobicContact CD1-CD1 3.64Å; L135-F159 HydrophobicContact CD1-CE1 3.68Å
136	R	94.6	Very high	96.4	Very high	129 Å²	129	41.7 Å²	41.7	49%	0.487	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	139.5	-174.8	-158.5	177.3	-170.9	-177.3	3	112.7	F111 A112 G133 E161	F111-R136 CarbonylContact C-O 3.56Å; F111-R136 VanDerWaalsContact C-O 3.27Å; A112-R136 PolarHBondContact N-O 2.95Å; G133-R136 VanDerWaalsContact O-CB 3.23Å; G133-R136 WeakPolarHBondContact O-CB 3.18Å; G133-R136 PolarHBondContact O-N 3.03Å; R136-E161 HydrophobicContact CG-CG 4.46Å; R136-E161 VanDerWaalsContact CG-OE1 3.32Å; R136-E161 WeakPolarHBondContact CG-OE1 3.33Å; R136-E161 WeakPolarHBondContact CG-OE2 3.31Å; R136-E161 IonicContact CZ-OE1 2.66Å; R136-E161 IonicContact NE-OE1 2.76Å; R136-E161 PolarHBondContact NE-OE1 3.2Å; R136-E161 IonicContact NE-OE2 3.61Å; R136-E161 IonicContact NH2-OE1 2.62Å; R136-E161 PolarHBondContact NH2-OE1 3.19Å
137	G	90.9	Very high	96.4	Very high	19 Å²	19	39.1 Å²	39.1	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-7.5	-177.3	0	0	0	0	0	115.5	G139 E161	G137-G139 PolarHBondContact O-N 3.46Å; G137-E161 PolarHBondContact N-OE2 3.31Å
138	L	95.8	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.			trans	-79.7	40.3	-173	-65.5	-179.7	0	0	0	114.5	F111 Q114 L117 L120 L135 R140 M141 E161	F111-L138 HydrophobicContact CB-CD1 4.17Å; F111-L138 HydrophobicContact CB-CD2 3.65Å; F111-L138 HydrophobicContact CB-CG 3.85Å; F111-L138 HydrophobicContact CD2-CD1 3.86Å; F111-L138 HydrophobicContact CD2-CG 4.47Å; F111-L138 HydrophobicContact CG-CD1 4.21Å; F111-L138 HydrophobicContact CG-CD2 4.21Å; F111-L138 HydrophobicContact CG-CG 4.42Å; Q114-L138 HydrophobicContact CB-CD2 4.36Å; L117-L138 HydrophobicContact CB-CD2 3.89Å; L117-L138 HydrophobicContact CD2-CD2 3.64Å; L117-L138 HydrophobicContact CG-CD2 4.37Å; L120-L138 HydrophobicContact CD2-CD1 4.05Å; L135-L138 HydrophobicContact CB-CD1 4.06Å; L135-L138 HydrophobicContact CD2-CD1 3.85Å; L135-L138 WeakPolarHBondContact O-CB 3.31Å; L135-L138 WeakPolarHBondContact O-CG 3.42Å; L135-L138 PolarHBondContact O-N 2.83Å; L138-R140 PolarHBondContact O-N 2.93Å; L138-M141 HydrophobicContact CB-CB 4.08Å; L138-M141 HydrophobicContact CB-CE 3.98Å; L138-M141 HydrophobicContact CD1-CE 3.63Å; L138-M141 HydrophobicContact CD1-SD 3.87Å; L138-M141 HydrophobicContact CG-CE 4.45Å; L138-M141 WeakPolarHBondContact O-CB 3.25Å; L138-M141 PolarHBondContact O-N 2.91Å; L138-E161 CarbonylContact C-O 3.55Å; L138-E161 VanDerWaalsContact C-O 3.32Å
139	G	94.3	Very high	96.4	Very high	29 Å²	29	40 Å²	40	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.8	-174	0	0	0	0	0	115.9	G137 E161 N164	G137-G139 PolarHBondContact O-N 3.46Å; G139-E161 VanDerWaalsContact CA-O 3.29Å; G139-E161 WeakPolarHBondContact CA-O 3.36Å; G139-E161 PolarHBondContact N-O 2.7Å; G139-N164 PolarHBondContact O-ND2 3.43Å
140	R	96.5	Very high	96.5	Very high	143 Å²	143	39.8 Å²	39.8	54%	0.54	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-0.3	175.7	-76.3	-174.5	144.2	-179	-9.8	114.6	A115 N116 L117 L138 Q142	A115-R140 WeakPolarHBondContact O-CB 3.29Å; A115-R140 VanDerWaalsContact O-CD 3.24Å; A115-R140 WeakPolarHBondContact O-CD 3.42Å; A115-R140 WeakPolarHBondContact O-CG 3.45Å; N116-R140 PolarHBondContact OD1-NH1 2.95Å; L117-R140 CarbonylContact O-C 3.54Å; L138-R140 PolarHBondContact O-N 2.93Å; R140-Q142 PolarHBondContact O-N 3.41Å
141	M	97.3	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.			trans	-64.2	134.7	-176.4	-174.5	165.3	56.4	0	0	111	L117 L120 L138 L144 C162 N164 L165	L117-M141 WeakPolarHBondContact O-CA 3.44Å; L117-M141 PolarHBondContact O-N 3.07Å; L120-M141 HydrophobicContact CB-SD 3.85Å; L120-M141 HydrophobicContact CD2-SD 4.23Å; L138-M141 HydrophobicContact CB-CB 4.08Å; L138-M141 HydrophobicContact CB-CE 3.98Å; L138-M141 HydrophobicContact CD1-CE 3.63Å; L138-M141 HydrophobicContact CD1-SD 3.87Å; L138-M141 HydrophobicContact CG-CE 4.45Å; L138-M141 WeakPolarHBondContact O-CB 3.25Å; L138-M141 PolarHBondContact O-N 2.91Å; M141-L144 HydrophobicContact CE-CB 4.33Å; M141-L144 HydrophobicContact CE-CD2 3.97Å; M141-L144 HydrophobicContact SD-CB 4.03Å; M141-L144 HydrophobicContact SD-CD1 4.15Å; M141-L144 HydrophobicContact SD-CG 4.46Å; M141-C162 HydrophobicContact CE-CB 4.14Å; M141-C162 WeakPolarHBondContact CE-SG 3.21Å; M141-N164 CarbonylContact O-C 3.46Å; M141-N164 WeakPolarHBondContact O-CB 3.32Å; M141-L165 HydrophobicContact CE-CD1 4.3Å; M141-L165 HydrophobicContact CG-CD1 3.9Å; M141-L165 WeakPolarHBondContact O-CA 3.35Å; M141-L165 PolarHBondContact O-N 3.41Å; M141-L165 HydrophobicContact SD-CD1 4.5Å
142	Q	98	Very high	96.6	Very high	77 Å²	77	42.3 Å²	42.3	36%	0.36	21%	0.207	S	C	.	.			trans	-117	-41.1	-179	-73.3	164.7	54.9	0	0	110.9	Q118 R140 L165 S166 S167	Q118-Q142 PolarHBondContact O-N 3.29Å; R140-Q142 PolarHBondContact O-N 3.41Å; Q142-L165 WeakPolarHBondContact O-CD1 3.44Å; Q142-S166 PolarHBondContact O-N 3.23Å; Q142-S166 PolarHBondContact O-OG 2.81Å; Q142-S167 PolarHBondContact O-N 3.34Å
143	C	98.5	Very high	96.7	Very high	29 Å²	29	43 Å²	43	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.8	-176.9	-57.5	0	0	0	0	111.3	Q118 V119 L120 F145 S167	Q118-C143 PolarHBondContact O-N 2.97Å; V119-C143 WeakPolarHBondContact CA-O 3.43Å; V119-C143 HydrophobicContact CG1-CB 4.3Å; V119-C143 HydrophobicContact CG2-CB 4.27Å; L120-C143 PolarHBondContact N-O 3.47Å; C143-F145 HydrophobicContact CB-CD2 4.37Å; C143-F145 HydrophobicContact CB-CE2 3.6Å; C143-F145 HydrophobicContact CB-CZ 4.13Å; C143-S167 WeakPolarHBondContact CA-O 3.48Å
144	L	98.5	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.4	177.4	177.2	57.4	0	0	0	110.1	L120 L135 M141 L146 F159 L165 S167 L168 D169	L120-L144 HydrophobicContact CB-CD1 4.03Å; L120-L144 HydrophobicContact CD2-CD1 3.94Å; L120-L144 HydrophobicContact CG-CD1 3.95Å; L135-L144 HydrophobicContact CD1-CD2 3.69Å; L135-L144 HydrophobicContact CD2-CD2 4.49Å; M141-L144 HydrophobicContact CE-CB 4.33Å; M141-L144 HydrophobicContact CE-CD2 3.97Å; M141-L144 HydrophobicContact SD-CB 4.03Å; M141-L144 HydrophobicContact SD-CD1 4.15Å; M141-L144 HydrophobicContact SD-CG 4.46Å; L144-L146 HydrophobicContact CD1-CD1 4.13Å; L144-L146 HydrophobicContact CD1-CG 4.05Å; L144-L146 HydrophobicContact CD2-CD1 3.83Å; L144-L146 HydrophobicContact CG-CD1 3.81Å; L144-L146 HydrophobicContact CG-CG 4.09Å; L144-F159 HydrophobicContact CD2-CD1 4.35Å; L144-F159 HydrophobicContact CD2-CE1 3.81Å; L144-L165 HydrophobicContact CB-CD1 3.65Å; L144-L165 HydrophobicContact CB-CD2 4.46Å; L144-S167 PolarHBondContact N-O 2.94Å; L144-L168 HydrophobicContact CB-CD1 4.16Å; L144-L168 HydrophobicContact CD2-CD1 3.99Å; L144-L168 HydrophobicContact CG-CD1 4.07Å; L144-L168 WeakPolarHBondContact O-CA 3.25Å; L144-D169 PolarHBondContact O-N 2.89Å
145	F	98.6	Very high	96.8	Very high	54 Å²	54	44.5 Å²	44.5	24%	0.237	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.2	-178.5	-59.2	-86.9	0	0	0	110.6	V119 L120 Q121 L122 G123 C143 D169	V119-F145 HydrophobicContact CG1-CD2 4.49Å; V119-F145 HydrophobicContact CG1-CE2 4.18Å; L120-F145 PolarHBondContact O-N 2.79Å; Q121-F145 HydrophobicContact CG-CD2 3.88Å; L122-F145 CarbonylContact C-O 3.1Å; L122-F145 WeakPolarHBondContact CA-O 3.4Å; L122-F145 PolarHBondContact N-O 3.07Å; G123-F145 PolarHBondContact N-O 2.95Å; C143-F145 HydrophobicContact CB-CD2 4.37Å; C143-F145 HydrophobicContact CB-CE2 3.6Å; C143-F145 HydrophobicContact CB-CZ 4.13Å; F145-D169 HydrophobicContact CD1-CB 3.84Å
146	L	98.4	Very high	96.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.24	C	C	.	.			trans	-125	14.8	-175.9	-72.6	163.3	0	0	0	112.2	L122 L127 L130 L144 N149 I151 D169 L170 N173	L122-L146 HydrophobicContact CB-CD2 3.73Å; L122-L146 HydrophobicContact CD1-CD2 3.95Å; L127-L146 HydrophobicContact CD1-CD2 3.75Å; L130-L146 HydrophobicContact CD1-CD1 3.78Å; L130-L146 HydrophobicContact CD2-CD1 4.2Å; L130-L146 HydrophobicContact CD2-CD2 4.41Å; L144-L146 HydrophobicContact CD1-CD1 4.13Å; L144-L146 HydrophobicContact CD1-CG 4.05Å; L144-L146 HydrophobicContact CD2-CD1 3.83Å; L144-L146 HydrophobicContact CG-CD1 3.81Å; L144-L146 HydrophobicContact CG-CG 4.09Å; L146-N149 WeakPolarHBondContact O-CB 3.22Å; L146-N149 PolarHBondContact O-ND2 2.98Å; L146-I151 HydrophobicContact CB-CD1 4.15Å; L146-I151 HydrophobicContact CD1-CD1 4.4Å; L146-I151 HydrophobicContact CD2-CD1 4.31Å; L146-D169 CarbonylContact C-O 2.99Å; L146-D169 WeakPolarHBondContact CA-O 3.15Å; L146-D169 WeakPolarHBondContact CB-O 3.41Å; L146-D169 PolarHBondContact N-O 3.3Å; L146-L170 HydrophobicContact CB-CD2 4.1Å; L146-L170 HydrophobicContact CD1-CD2 3.91Å; L146-N173 PolarHBondContact O-ND2 3.42Å
147	Q	98.1	Very high	96.5	Very high	32 Å²	32	44.6 Å²	44.6	15%	0.15	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	152.2	-175.5	68.4	-76.6	84.1	0	0	113.5	G123 Y124 N149 D169 S171	G123-Q147 CarbonylContact C-O 3.32Å; G123-Q147 WeakPolarHBondContact CA-O 3.24Å; Y124-Q147 PolarHBondContact N-O 3.45Å; Q147-N149 PolarHBondContact O-N 3.42Å; Q147-N149 PolarHBondContact O-ND2 3.29Å; Q147-D169 WeakPolarHBondContact CB-OD2 3.22Å; Q147-D169 PolarHBondContact N-O 2.79Å; Q147-D169 PolarHBondContact NE2-OD2 3.46Å; Q147-S171 CarbonylContact C-O 3.51Å; Q147-S171 WeakPolarHBondContact CA-O 3.17Å; Q147-S171 VanDerWaalsContact CB-OG 3.31Å; Q147-S171 WeakPolarHBondContact CB-OG 3.33Å
148	H	98.3	Very high	96.8	Very high	79 Å²	79	43.8 Å²	43.8	37%	0.366	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	39.1	-179.2	-61.8	-79.3	0	0	0	113.7	Y124 S171 S172	Y124-H148 WeakPolarHBondContact CA-O 3.45Å; Y124-H148 HydrophobicContact CD1-CB 3.48Å; Y124-H148 VanDerWaalsContact CD1-CB 3.48Å; Y124-H148 AromaticContact CD1-CD2 3.93Å; Y124-H148 AromaticContact CD1-CG 3.77Å; Y124-H148 HydrophobicContact CE1-CB 3.66Å; Y124-H148 AromaticContact CE1-CD2 3.16Å; Y124-H148 WeakPolarHBondContact CE1-CD2 3.2Å; Y124-H148 AromaticContact CE1-CG 3.37Å; Y124-H148 AromaticContact CE1-NE2 3.68Å; Y124-H148 AromaticContact CE2-CD2 3.99Å; Y124-H148 HydrophobicContact CG-CB 4.04Å; Y124-H148 AromaticContact CZ-CD2 3.19Å; Y124-H148 AromaticContact CZ-CG 3.9Å; Y124-H148 AromaticContact CZ-NE2 3.68Å; Y124-H148 PolarHBondContact OH-CD2 3.26Å; Y124-H148 PolarHBondContact OH-NE2 2.99Å; H148-S171 PolarHBondContact N-O 3.25Å; H148-S172 WeakPolarHBondContact CA-O 3.36Å; H148-S172 PolarHBondContact CE1-OG 3.45Å; H148-S172 VanDerWaalsContact CE1-OG 3.28Å; H148-S172 VanDerWaalsContact ND1-CB 3.27Å; H148-S172 WeakPolarHBondContact ND1-CB 3.32Å
149	N	98.7	Very high	96.8	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.032	23%	0.226	C	C	.	.	S	Bend	trans	-97.5	-165.1	163.8	-84.5	-89.2	0	0	0	109.6	L122 N125 K126 L127 L146 Q147 I151 N173	L122-N149 PolarHBondContact O-ND2 3.02Å; N125-N149 WeakPolarHBondContact CA-OD1 3.24Å; N125-N149 WeakPolarHBondContact CB-OD1 3.48Å; N125-N149 PolarHBondContact O-OD1 3.06Å; K126-N149 PolarHBondContact N-OD1 2.89Å; L127-N149 HydrophobicContact CB-CB 4.3Å; L127-N149 WeakPolarHBondContact CB-OD1 3.32Å; L127-N149 WeakPolarHBondContact CG-OD1 3.23Å; L127-N149 PolarHBondContact N-OD1 2.94Å; L146-N149 WeakPolarHBondContact O-CB 3.22Å; L146-N149 PolarHBondContact O-ND2 2.98Å; Q147-N149 PolarHBondContact O-N 3.42Å; Q147-N149 PolarHBondContact O-ND2 3.29Å; N149-I151 HydrophobicContact CB-CD1 4.15Å; N149-I151 HydrophobicContact CB-CG1 3.97Å; N149-N173 WeakPolarHBondContact CA-OD1 3.48Å; N149-N173 WeakPolarHBondContact CB-OD1 3.1Å; N149-N173 PolarHBondContact O-OD1 3.23Å
150	L	98.1	Very high	96.7	Very high	71 Å²	71	48.8 Å²	48.8	37%	0.372	24%	0.236	S	C	.	.			trans	-117.5	26	-178.7	-56.7	173.9	0	0	0	111.1	L127 T128 E152 N173	L127-L150 CarbonylContact O-C 3.16Å; L127-L150 VanDerWaalsContact O-CA 3.25Å; L127-L150 WeakPolarHBondContact O-CA 3.31Å; L127-L150 WeakPolarHBondContact O-CB 3.41Å; L127-L150 PolarHBondContact O-N 2.89Å; T128-L150 WeakPolarHBondContact CA-O 3.16Å; T128-L150 HydrophobicContact CG2-CB 4.14Å; L150-E152 PolarHBondContact O-N 3.1Å; L150-N173 PolarHBondContact N-OD1 2.92Å
151	I	98.4	Very high	96.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.			trans	-68.9	116.6	-167.4	-57.2	168.9	0	0	0	110.2	L127 T128 L130 L146 N149 I154 L170 N173 K174 L175	L127-I151 HydrophobicContact CB-CG1 4.19Å; L127-I151 PolarHBondContact O-N 3.47Å; T128-I151 WeakPolarHBondContact O-CA 3.41Å; L130-I151 HydrophobicContact CD1-CD1 4.39Å; L130-I151 HydrophobicContact CD2-CD1 4.19Å; L130-I151 HydrophobicContact CG-CD1 4.18Å; L130-I151 HydrophobicContact CG-CG2 4.41Å; L146-I151 HydrophobicContact CB-CD1 4.15Å; L146-I151 HydrophobicContact CD1-CD1 4.4Å; L146-I151 HydrophobicContact CD2-CD1 4.31Å; N149-I151 HydrophobicContact CB-CD1 4.15Å; N149-I151 HydrophobicContact CB-CG1 3.97Å; I151-I154 HydrophobicContact CG2-CG1 3.91Å; I151-L170 HydrophobicContact CD1-CD2 4.43Å; I151-N173 HydrophobicContact CB-CB 4.34Å; I151-N173 WeakPolarHBondContact CB-OD1 3.4Å; I151-N173 VanDerWaalsContact CG1-OD1 3.31Å; I151-N173 WeakPolarHBondContact CG1-OD1 3.47Å; I151-N173 PolarHBondContact N-OD1 3.18Å; I151-K174 CarbonylContact O-C 3.56Å; I151-K174 VanDerWaalsContact O-CA 3.32Å; I151-K174 WeakPolarHBondContact O-CA 3.27Å; I151-K174 WeakPolarHBondContact O-CB 3.34Å; I151-K174 PolarHBondContact O-N 2.87Å; I151-L175 HydrophobicContact CB-CD2 4.45Å; I151-L175 HydrophobicContact CG2-CD2 3.86Å; I151-L175 PolarHBondContact O-N 2.67Å
152	E	96.6	Very high	96.6	Very high	100 Å²	100	43.8 Å²	43.8	47%	0.467	22%	0.219	S	C	.	.			trans	-101	-26.3	179.2	-70.7	175.1	-160.4	0	0	112.4	T128 L150 K174	T128-E152 PolarHBondContact O-N 2.98Å; L150-E152 PolarHBondContact O-N 3.1Å; E152-K174 HydrophobicContact CG-CB 3.57Å; E152-K174 HydrophobicContact CG-CD 3.49Å; E152-K174 VanDerWaalsContact CG-CD 3.49Å; E152-K174 HydrophobicContact CG-CG 4.26Å; E152-K174 WeakPolarHBondContact OE1-CD 3.39Å; E152-K174 IonicContact OE1-NZ 2.78Å; E152-K174 PolarHBondContact OE1-NZ 2.78Å
153	I	95.1	Very high	96.4	Very high	110 Å²	110	42.9 Å²	42.9	56%	0.564	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.7	-175.8	-55.1	179.3	0	0	0	110.3	N129 L130	N129-I153 VanDerWaalsContact CA-O 3.22Å; N129-I153 WeakPolarHBondContact CA-O 3.4Å; L130-I153 PolarHBondContact N-O 3.32Å; L130-I153 VanDerWaalsContact N-O 3.1Å
154	I	96.9	Very high	96.3	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.3	169	-57.8	-179.8	0	0	0	107.4	L130 I151 A158 F159 L170 L175 L178 T182	L130-I154 HydrophobicContact CB-CG1 4.44Å; L130-I154 HydrophobicContact CB-CG2 4.21Å; L130-I154 HydrophobicContact CD1-CD1 3.98Å; L130-I154 HydrophobicContact CD1-CG1 3.92Å; L130-I154 HydrophobicContact CD1-CG2 4.15Å; L130-I154 HydrophobicContact CG-CG1 4.31Å; I151-I154 HydrophobicContact CG2-CG1 3.91Å; I154-A158 HydrophobicContact CG2-CB 3.7Å; I154-F159 HydrophobicContact CD1-CZ 4.45Å; I154-F159 HydrophobicContact CG2-CE2 3.95Å; I154-F159 HydrophobicContact CG2-CZ 4.17Å; I154-L170 HydrophobicContact CD1-CD1 3.68Å; I154-L170 HydrophobicContact CD1-CD2 3.89Å; I154-L170 HydrophobicContact CD1-CG 4.47Å; I154-L175 HydrophobicContact CD1-CD1 4.19Å; I154-L175 HydrophobicContact CD1-CD2 3.95Å; I154-L175 HydrophobicContact CG1-CD2 3.91Å; I154-L178 HydrophobicContact CD1-CD2 4.03Å; I154-T182 HydrophobicContact CB-CG2 4.49Å; I154-T182 HydrophobicContact CG2-CG2 3.65Å
155	A	94.8	Very high	96.3	Very high	34 Å²	34	43.8 Å²	43.8	28%	0.281	22%	0.222	S	C	.	.			trans	-68.5	145.5	174.4	0	0	0	0	0	111.2	L130 N157 A158	L130-A155 WeakPolarHBondContact O-CB 3.47Å; L130-A155 PolarHBondContact O-N 2.79Å; A155-N157 PolarHBondContact O-N 3.22Å; A155-A158 HydrophobicContact CB-CB 4.34Å; A155-A158 WeakPolarHBondContact O-CB 3.49Å; A155-A158 PolarHBondContact O-N 3.24Å
156	T	92.3	Very high	96.2	Very high	67 Å²	67	43 Å²	43	41%	0.411	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.8	-179.7	56.7	0	0	0	0	113.4	S181 T182	T156-S181 WeakPolarHBondContact CG2-OG 3.46Å; T156-T182 WeakPolarHBondContact O-CA 3.26Å
157	N	93.5	Very high	96.1	Very high	70 Å²	70	44 Å²	44	37%	0.374	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	4.5	-177.7	-56.2	-7.8	0	0	0	112.5	E132 A155 F159 W160	E132-N157 HydrophobicContact CB-CB 4.16Å; E132-N157 HydrophobicContact CG-CB 3.64Å; E132-N157 VanDerWaalsContact OE2-CB 3.24Å; E132-N157 WeakPolarHBondContact OE2-CB 3.2Å; E132-N157 PolarHBondContact OE2-ND2 3.49Å; A155-N157 PolarHBondContact O-N 3.22Å; N157-F159 PolarHBondContact O-N 3.49Å; N157-W160 WeakPolarHBondContact O-CB 3.14Å; N157-W160 VanDerWaalsContact O-CD1 3.28Å; N157-W160 PolarHBondContact O-N 3.44Å
158	A	95.3	Very high	96.1	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.8	-172.5	0	0	0	0	0	114.3	L130 I154 A155	L130-A158 HydrophobicContact CB-CB 4.2Å; I154-A158 HydrophobicContact CG2-CB 3.7Å; A155-A158 HydrophobicContact CB-CB 4.34Å; A155-A158 WeakPolarHBondContact O-CB 3.49Å; A155-A158 PolarHBondContact O-N 3.24Å
159	F	95.9	Very high	96.1	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	15.2	-179.5	-51.6	-58.8	0	0	0	113.8	L130 L135 L144 I154 N157 E161 C162 L168 T182 S185 L186	L130-F159 HydrophobicContact CD1-CE1 4.14Å; L130-F159 HydrophobicContact CD1-CZ 3.95Å; L135-F159 HydrophobicContact CD1-CD1 3.64Å; L135-F159 HydrophobicContact CD1-CE1 3.68Å; L144-F159 HydrophobicContact CD2-CD1 4.35Å; L144-F159 HydrophobicContact CD2-CE1 3.81Å; I154-F159 HydrophobicContact CD1-CZ 4.45Å; I154-F159 HydrophobicContact CG2-CE2 3.95Å; I154-F159 HydrophobicContact CG2-CZ 4.17Å; N157-F159 PolarHBondContact O-N 3.49Å; F159-E161 PolarHBondContact O-N 2.91Å; F159-C162 HydrophobicContact CB-CB 4.39Å; F159-C162 WeakPolarHBondContact O-CB 3.31Å; F159-C162 PolarHBondContact O-N 3.03Å; F159-L168 HydrophobicContact CE1-CD1 4.4Å; F159-L168 HydrophobicContact CE2-CD2 4.04Å; F159-L168 HydrophobicContact CZ-CD1 4.27Å; F159-L168 HydrophobicContact CZ-CD2 3.94Å; F159-T182 HydrophobicContact CD2-CG2 3.79Å; F159-T182 HydrophobicContact CE2-CG2 3.74Å; F159-S185 PolarHBondContact O-OG 3.03Å; F159-L186 HydrophobicContact CB-CD1 4.05Å; F159-L186 HydrophobicContact CB-CD2 3.78Å; F159-L186 HydrophobicContact CB-CG 4.09Å; F159-L186 HydrophobicContact CD2-CD1 3.96Å; F159-L186 HydrophobicContact CG-CD1 4.11Å
160	W	93.8	Very high	96	Very high	132 Å²	132	39.2 Å²	39.2	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-37	-170.8	94.1	-92.6	0	0	0	113.5	N157 C162	N157-W160 WeakPolarHBondContact O-CB 3.14Å; N157-W160 VanDerWaalsContact O-CD1 3.28Å; N157-W160 PolarHBondContact O-N 3.44Å; W160-C162 PolarHBondContact O-N 3.28Å
161	E	94	Very high	95.9	Very high	39 Å²	39	36.7 Å²	36.7	18%	0.182	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	12.9	171.9	-61	-164.9	-167.4	0	0	113.1	R136 G137 L138 G139 F159 P163	R136-E161 HydrophobicContact CG-CG 4.46Å; R136-E161 VanDerWaalsContact CG-OE1 3.32Å; R136-E161 WeakPolarHBondContact CG-OE1 3.33Å; R136-E161 WeakPolarHBondContact CG-OE2 3.31Å; R136-E161 IonicContact CZ-OE1 2.66Å; R136-E161 IonicContact NE-OE1 2.76Å; R136-E161 PolarHBondContact NE-OE1 3.2Å; R136-E161 IonicContact NE-OE2 3.61Å; R136-E161 IonicContact NH2-OE1 2.62Å; R136-E161 PolarHBondContact NH2-OE1 3.19Å; G137-E161 PolarHBondContact N-OE2 3.31Å; L138-E161 CarbonylContact C-O 3.55Å; L138-E161 VanDerWaalsContact C-O 3.32Å; G139-E161 VanDerWaalsContact CA-O 3.29Å; G139-E161 WeakPolarHBondContact CA-O 3.36Å; G139-E161 PolarHBondContact N-O 2.7Å; F159-E161 PolarHBondContact O-N 2.91Å; E161-P163 VanDerWaalsContact O-CD 3.31Å; E161-P163 WeakPolarHBondContact O-CD 3.47Å
162	C	96.1	Very high	95.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.			trans	-113.5	41.7	180	-56.7	0	0	0	0	114.5	M141 F159 W160 N164 L165 L186	M141-C162 HydrophobicContact CE-CB 4.14Å; M141-C162 WeakPolarHBondContact CE-SG 3.21Å; F159-C162 HydrophobicContact CB-CB 4.39Å; F159-C162 WeakPolarHBondContact O-CB 3.31Å; F159-C162 PolarHBondContact O-N 3.03Å; W160-C162 PolarHBondContact O-N 3.28Å; C162-N164 PolarHBondContact O-N 3.24Å; C162-L165 WeakPolarHBondContact O-CB 3.45Å; C162-L165 PolarHBondContact O-N 2.97Å; C162-L165 VanDerWaalsContact O-N 3.09Å; C162-L186 HydrophobicContact CB-CD2 4.47Å; C162-L186 WeakPolarHBondContact O-CD2 3.32Å
163	P	95	Very high	95.9	Very high	58 Å²	58	34.1 Å²	34.1	38%	0.377	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-5.7	-168.8	31.8	-39.4	0	0	0	115.2	E161	E161-P163 VanDerWaalsContact O-CD 3.31Å; E161-P163 WeakPolarHBondContact O-CD 3.47Å
164	N	96.3	Very high	96.1	Very high	47 Å²	47	32.8 Å²	32.8	25%	0.251	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.1	176.3	-79.5	-64.9	0	0	0	114.2	G139 M141 C162 S166 R188	G139-N164 PolarHBondContact O-ND2 3.43Å; M141-N164 CarbonylContact O-C 3.46Å; M141-N164 WeakPolarHBondContact O-CB 3.32Å; C162-N164 PolarHBondContact O-N 3.24Å; N164-S166 PolarHBondContact O-N 2.77Å; N164-R188 PolarHBondContact OD1-NH1 3.38Å
165	L	97.6	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.			trans	-63.3	123.5	-176	-167.2	73.3	0	0	0	110.6	M141 Q142 L144 C162 L168 L186 R188 L189	M141-L165 HydrophobicContact CE-CD1 4.3Å; M141-L165 HydrophobicContact CG-CD1 3.9Å; M141-L165 WeakPolarHBondContact O-CA 3.35Å; M141-L165 PolarHBondContact O-N 3.41Å; M141-L165 HydrophobicContact SD-CD1 4.5Å; Q142-L165 WeakPolarHBondContact O-CD1 3.44Å; L144-L165 HydrophobicContact CB-CD1 3.65Å; L144-L165 HydrophobicContact CB-CD2 4.46Å; C162-L165 WeakPolarHBondContact O-CB 3.45Å; C162-L165 PolarHBondContact O-N 2.97Å; C162-L165 VanDerWaalsContact O-N 3.09Å; L165-L168 HydrophobicContact CD2-CB 4.08Å; L165-L168 HydrophobicContact CD2-CD1 4.35Å; L165-L168 HydrophobicContact CD2-CD2 4.33Å; L165-L168 HydrophobicContact CD2-CG 4.49Å; L165-L186 HydrophobicContact CB-CD2 3.87Å; L165-L186 HydrophobicContact CD2-CD1 4.08Å; L165-L186 HydrophobicContact CD2-CD2 4.16Å; L165-R188 CarbonylContact O-C 3.25Å; L165-R188 VanDerWaalsContact O-C 3.3Å; L165-L189 WeakPolarHBondContact O-CA 3.46Å; L165-L189 PolarHBondContact O-N 2.83Å
166	S	96.9	Very high	96.1	Very high	37 Å²	37	32 Å²	32	26%	0.259	18%	0.176	S	C	.	.			trans	-114.5	-25.9	-178.1	59.8	0	0	0	0	113.4	Q142 N164 R188 M190 V191	Q142-S166 PolarHBondContact O-N 3.23Å; Q142-S166 PolarHBondContact O-OG 2.81Å; N164-S166 PolarHBondContact O-N 2.77Å; S166-R188 VanDerWaalsContact CA-O 3.29Å; S166-R188 WeakPolarHBondContact CA-O 3.18Å; S166-R188 WeakPolarHBondContact CB-O 3.45Å; S166-M190 PolarHBondContact O-N 3.05Å; S166-V191 PolarHBondContact O-N 2.66Å
167	S	97.1	Very high	96	Very high	22 Å²	22	32.9 Å²	32.9	15%	0.154	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.5	175.3	-172.7	0	0	0	0	111	Q142 C143 L144	Q142-S167 PolarHBondContact O-N 3.34Å; C143-S167 WeakPolarHBondContact CA-O 3.48Å; L144-S167 PolarHBondContact N-O 2.94Å
168	L	97.4	Very high	96	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.5	176.7	176.5	55.7	0	0	0	109.4	L144 F159 L165 L170 F183 L186 L189 V191 C192 E193	L144-L168 HydrophobicContact CB-CD1 4.16Å; L144-L168 HydrophobicContact CD2-CD1 3.99Å; L144-L168 HydrophobicContact CG-CD1 4.07Å; L144-L168 WeakPolarHBondContact O-CA 3.25Å; F159-L168 HydrophobicContact CE1-CD1 4.4Å; F159-L168 HydrophobicContact CE2-CD2 4.04Å; F159-L168 HydrophobicContact CZ-CD1 4.27Å; F159-L168 HydrophobicContact CZ-CD2 3.94Å; L165-L168 HydrophobicContact CD2-CB 4.08Å; L165-L168 HydrophobicContact CD2-CD1 4.35Å; L165-L168 HydrophobicContact CD2-CD2 4.33Å; L165-L168 HydrophobicContact CD2-CG 4.49Å; L168-L170 HydrophobicContact CD1-CD1 4.34Å; L168-L170 HydrophobicContact CD1-CD2 4.39Å; L168-L170 HydrophobicContact CD1-CG 3.98Å; L168-L170 HydrophobicContact CD2-CD1 3.91Å; L168-L170 HydrophobicContact CD2-CG 4.41Å; L168-L170 HydrophobicContact CG-CD1 4.06Å; L168-L170 HydrophobicContact CG-CG 4.02Å; L168-F183 HydrophobicContact CD2-CE1 4.07Å; L168-L186 HydrophobicContact CD2-CD1 4.48Å; L168-L189 HydrophobicContact CB-CD1 3.87Å; L168-V191 PolarHBondContact N-O 3Å; L168-C192 CarbonylContact O-C 3.55Å; L168-C192 VanDerWaalsContact O-CA 3.31Å; L168-C192 WeakPolarHBondContact O-CA 3.1Å; L168-E193 PolarHBondContact O-N 3.05Å
169	D	97.6	Very high	95.9	Very high	18 Å²	18	33.9 Å²	33.9	10%	0.096	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110	173.9	-177.6	-0.4	0	0	0	110.9	L144 F145 L146 Q147 S171 E193	L144-D169 PolarHBondContact O-N 2.89Å; F145-D169 HydrophobicContact CD1-CB 3.84Å; L146-D169 CarbonylContact C-O 2.99Å; L146-D169 WeakPolarHBondContact CA-O 3.15Å; L146-D169 WeakPolarHBondContact CB-O 3.41Å; L146-D169 PolarHBondContact N-O 3.3Å; Q147-D169 WeakPolarHBondContact CB-OD2 3.22Å; Q147-D169 PolarHBondContact N-O 2.79Å; Q147-D169 PolarHBondContact NE2-OD2 3.46Å; D169-S171 WeakPolarHBondContact OD1-CB 3.2Å; D169-S171 PolarHBondContact OD1-N 2.95Å; D169-S171 PolarHBondContact OD1-OG 3Å; D169-E193 HydrophobicContact CB-CB 4.17Å; D169-E193 HydrophobicContact CB-CG 4.46Å
170	L	97.4	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.			trans	-113	13.5	176.9	-71.8	170	0	0	0	111.6	L146 I151 I154 L168 N173 L175 E193 L194 N197	L146-L170 HydrophobicContact CB-CD2 4.1Å; L146-L170 HydrophobicContact CD1-CD2 3.91Å; I151-L170 HydrophobicContact CD1-CD2 4.43Å; I154-L170 HydrophobicContact CD1-CD1 3.68Å; I154-L170 HydrophobicContact CD1-CD2 3.89Å; I154-L170 HydrophobicContact CD1-CG 4.47Å; L168-L170 HydrophobicContact CD1-CD1 4.34Å; L168-L170 HydrophobicContact CD1-CD2 4.39Å; L168-L170 HydrophobicContact CD1-CG 3.98Å; L168-L170 HydrophobicContact CD2-CD1 3.91Å; L168-L170 HydrophobicContact CD2-CG 4.41Å; L168-L170 HydrophobicContact CG-CD1 4.06Å; L168-L170 HydrophobicContact CG-CG 4.02Å; L170-N173 WeakPolarHBondContact O-CB 3.18Å; L170-N173 PolarHBondContact O-ND2 2.97Å; L170-L175 HydrophobicContact CB-CD1 3.92Å; L170-L175 HydrophobicContact CD1-CD1 4.09Å; L170-L175 HydrophobicContact CD2-CD1 4.44Å; L170-L175 HydrophobicContact CG-CD1 4.39Å; L170-E193 CarbonylContact C-O 3.3Å; L170-E193 PolarHBondContact N-O 2.7Å; L170-L194 HydrophobicContact CB-CD2 4.23Å; L170-L194 HydrophobicContact CD1-CD2 4.36Å; L170-N197 PolarHBondContact O-ND2 2.91Å
171	S	96.6	Very high	95.6	Very high	18 Å²	18	31.1 Å²	31.1	13%	0.126	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	154.9	-175.2	66.9	0	0	0	0	113.2	Q147 H148 D169 N173 E193 A195	Q147-S171 CarbonylContact C-O 3.51Å; Q147-S171 WeakPolarHBondContact CA-O 3.17Å; Q147-S171 VanDerWaalsContact CB-OG 3.31Å; Q147-S171 WeakPolarHBondContact CB-OG 3.33Å; H148-S171 PolarHBondContact N-O 3.25Å; D169-S171 WeakPolarHBondContact OD1-CB 3.2Å; D169-S171 PolarHBondContact OD1-N 2.95Å; D169-S171 PolarHBondContact OD1-OG 3Å; S171-N173 VanDerWaalsContact C-N 3.28Å; S171-N173 PolarHBondContact O-N 2.98Å; S171-N173 PolarHBondContact O-ND2 3.4Å; S171-N173 VanDerWaalsContact O-ND2 3.16Å; S171-E193 PolarHBondContact N-O 3.04Å; S171-A195 CarbonylContact C-O 3.52Å; S171-A195 WeakPolarHBondContact CA-O 3.15Å; S171-A195 WeakPolarHBondContact CB-O 3.43Å
172	S	96.9	Very high	95.6	Very high	36 Å²	36	29.4 Å²	29.4	25%	0.252	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	39.8	-180	-55.5	0	0	0	0	114.4	H148 A195	H148-S172 WeakPolarHBondContact CA-O 3.36Å; H148-S172 PolarHBondContact CE1-OG 3.45Å; H148-S172 VanDerWaalsContact CE1-OG 3.28Å; H148-S172 VanDerWaalsContact ND1-CB 3.27Å; H148-S172 WeakPolarHBondContact ND1-CB 3.32Å; S172-A195 PolarHBondContact N-O 2.84Å
173	N	98.5	Very high	95.5	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.048	17%	0.171	C	C	.	.	S	Bend	trans	-105.9	-162.7	172.8	-86.5	-81.7	0	0	0	110.6	L146 N149 L150 I151 L170 S171 L175 N197 P198	L146-N173 PolarHBondContact O-ND2 3.42Å; N149-N173 WeakPolarHBondContact CA-OD1 3.48Å; N149-N173 WeakPolarHBondContact CB-OD1 3.1Å; N149-N173 PolarHBondContact O-OD1 3.23Å; L150-N173 PolarHBondContact N-OD1 2.92Å; I151-N173 HydrophobicContact CB-CB 4.34Å; I151-N173 WeakPolarHBondContact CB-OD1 3.4Å; I151-N173 VanDerWaalsContact CG1-OD1 3.31Å; I151-N173 WeakPolarHBondContact CG1-OD1 3.47Å; I151-N173 PolarHBondContact N-OD1 3.18Å; L170-N173 WeakPolarHBondContact O-CB 3.18Å; L170-N173 PolarHBondContact O-ND2 2.97Å; S171-N173 VanDerWaalsContact C-N 3.28Å; S171-N173 PolarHBondContact O-N 2.98Å; S171-N173 PolarHBondContact O-ND2 3.4Å; S171-N173 VanDerWaalsContact O-ND2 3.16Å; N173-L175 HydrophobicContact CB-CG 4.27Å; N173-N197 VanDerWaalsContact CA-OD1 3.31Å; N173-N197 WeakPolarHBondContact CA-OD1 3.34Å; N173-N197 WeakPolarHBondContact CB-OD1 3.44Å; N173-N197 PolarHBondContact N-OD1 3.05Å; N173-N197 PolarHBondContact O-OD1 3.15Å; N173-P198 WeakPolarHBondContact O-CD 3.37Å
174	K	97.6	Very high	95.2	Very high	82 Å²	82	31.9 Å²	31.9	36%	0.357	18%	0.183	S	C	.	.			trans	-115	27.9	179.5	-62.4	178.1	176.3	172.8	0	112.8	I151 E152 A176 N197	I151-K174 CarbonylContact O-C 3.56Å; I151-K174 VanDerWaalsContact O-CA 3.32Å; I151-K174 WeakPolarHBondContact O-CA 3.27Å; I151-K174 WeakPolarHBondContact O-CB 3.34Å; I151-K174 PolarHBondContact O-N 2.87Å; E152-K174 HydrophobicContact CG-CB 3.57Å; E152-K174 HydrophobicContact CG-CD 3.49Å; E152-K174 VanDerWaalsContact CG-CD 3.49Å; E152-K174 HydrophobicContact CG-CG 4.26Å; E152-K174 WeakPolarHBondContact OE1-CD 3.39Å; E152-K174 IonicContact OE1-NZ 2.78Å; E152-K174 PolarHBondContact OE1-NZ 2.78Å; K174-A176 PolarHBondContact O-N 3.21Å; K174-N197 PolarHBondContact N-OD1 3.33Å
175	L	96.4	Very high	94.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.			trans	-69.4	94.8	-176	-60	171.1	0	0	0	110.7	I151 I154 L170 N173 L178 N197	I151-L175 HydrophobicContact CB-CD2 4.45Å; I151-L175 HydrophobicContact CG2-CD2 3.86Å; I151-L175 PolarHBondContact O-N 2.67Å; I154-L175 HydrophobicContact CD1-CD1 4.19Å; I154-L175 HydrophobicContact CD1-CD2 3.95Å; I154-L175 HydrophobicContact CG1-CD2 3.91Å; L170-L175 HydrophobicContact CB-CD1 3.92Å; L170-L175 HydrophobicContact CD1-CD1 4.09Å; L170-L175 HydrophobicContact CD2-CD1 4.44Å; L170-L175 HydrophobicContact CG-CD1 4.39Å; N173-L175 HydrophobicContact CB-CG 4.27Å; L175-L178 HydrophobicContact CD1-CD1 4.41Å; L175-L178 HydrophobicContact CD1-CD2 4.3Å; L175-L178 HydrophobicContact CD2-CD2 4.27Å; L175-N197 HydrophobicContact CB-CB 4.17Å; L175-N197 VanDerWaalsContact CB-OD1 3.29Å; L175-N197 WeakPolarHBondContact CB-OD1 3.48Å; L175-N197 WeakPolarHBondContact CG-OD1 3.42Å; L175-N197 PolarHBondContact N-OD1 3.01Å
176	A	94.9	Very high	94.8	Very high	35 Å²	35	31.6 Å²	31.6	29%	0.289	18%	0.184	S	C	.	.	S	Bend	trans	-76.4	-28.8	174.3	0	0	0	0	0	112.2	K174 P198 H200	K174-A176 PolarHBondContact O-N 3.21Å; A176-P198 WeakPolarHBondContact CA-O 3.47Å; A176-H200 HydrophobicContact CB-CB 4.21Å; A176-H200 VanDerWaalsContact O-CB 3.31Å; A176-H200 WeakPolarHBondContact O-CB 3.1Å; A176-H200 PolarHBondContact O-N 2.95Å
177	R	91.5	Very high	94.5	Very high	84 Å²	84	36.5 Å²	36.5	32%	0.317	21%	0.207	S	C	.	.			trans	-146.5	147.4	-177.9	-56.5	178.8	-169.6	175.7	-10.7	109.5	H200 E204	R177-H200 HydrophobicContact CG-CB 4.3Å; R177-H200 PolarHBondContact NE-CD2 3.37Å; R177-H200 PolarHBondContact NH2-CD2 2.81Å; R177-H200 VanDerWaalsContact NH2-CD2 3.32Å; R177-H200 PolarHBondContact NH2-NE2 2.8Å; R177-E204 VanDerWaalsContact CD-OE2 3.24Å; R177-E204 WeakPolarHBondContact CD-OE2 3.16Å; R177-E204 IonicContact CZ-OE1 3.47Å; R177-E204 VanDerWaalsContact CZ-OE1 3.22Å; R177-E204 IonicContact CZ-OE2 3.54Å; R177-E204 IonicContact NE-OE2 2.6Å; R177-E204 IonicContact NH1-OE1 2.67Å; R177-E204 PolarHBondContact NH1-OE1 3.35Å; R177-E204 IonicContact NH1-OE2 2.66Å; R177-E204 PolarHBondContact NH1-OE2 3.44Å; R177-E204 IonicContact NH2-OE1 3.08Å
178	L	93.6	Very high	94.3	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.063	23%	0.227	C	C	.	.			trans	-134	152.7	169.8	-72.7	170.8	0	0	0	108.1	I154 L175 F183 L194 F199 F208	I154-L178 HydrophobicContact CD1-CD2 4.03Å; L175-L178 HydrophobicContact CD1-CD1 4.41Å; L175-L178 HydrophobicContact CD1-CD2 4.3Å; L175-L178 HydrophobicContact CD2-CD2 4.27Å; L178-F183 HydrophobicContact CB-CE2 4.39Å; L178-F183 HydrophobicContact CD1-CE2 4.36Å; L178-F183 HydrophobicContact CD1-CZ 4.12Å; L178-F183 HydrophobicContact CD2-CZ 4.48Å; L178-L194 HydrophobicContact CD1-CD2 3.83Å; L178-F199 HydrophobicContact CD1-CE1 4.32Å; L178-F208 HydrophobicContact CB-CD1 4.28Å; L178-F208 HydrophobicContact CB-CD2 3.6Å; L178-F208 HydrophobicContact CB-CE1 4.4Å; L178-F208 HydrophobicContact CB-CE2 3.75Å; L178-F208 HydrophobicContact CB-CG 3.89Å; L178-F208 HydrophobicContact CB-CZ 4.16Å; L178-F208 HydrophobicContact CD1-CD2 4.42Å; L178-F208 HydrophobicContact CD1-CE1 4.21Å; L178-F208 HydrophobicContact CD1-CE2 3.69Å; L178-F208 HydrophobicContact CD1-CZ 3.57Å; L178-F208 HydrophobicContact CG-CE2 4.38Å; L178-F208 HydrophobicContact CG-CZ 4.5Å; L178-F208 WeakPolarHBondContact O-CB 3.48Å
179	D	91.8	Very high	94.2	Very high	81 Å²	81	43.5 Å²	43.5	43%	0.433	23%	0.231	S	C	.	.			trans	-110.6	136.7	174.1	-169.2	-70	0	0	0	108.4	S181 T182	D179-S181 PolarHBondContact O-N 3.07Å; D179-S181 WeakPolarHBondContact OD1-CB 3.13Å; D179-S181 PolarHBondContact OD1-N 3.09Å; D179-S181 PolarHBondContact OD1-OG 3.23Å; D179-T182 VanDerWaalsContact O-CB 3.27Å; D179-T182 WeakPolarHBondContact O-CB 3.3Å; D179-T182 PolarHBondContact O-N 3.42Å; D179-T182 PolarHBondContact O-OG1 2.87Å
180	P	92.4	Very high	94	Very high	28 Å²	28	47.6 Å²	47.6	18%	0.182	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.8	-23.1	179.6	27.5	-36.3	0	0	0	113.5	T182 F183 T184 W211	P180-T182 PolarHBondContact O-N 3.42Å; P180-F183 PolarHBondContact O-N 3.25Å; P180-F183 VanDerWaalsContact O-N 3.1Å; P180-T184 PolarHBondContact O-OG1 2.96Å; P180-W211 HydrophobicContact CB-CB 3.7Å; P180-W211 HydrophobicContact CB-CG 4.09Å
181	S	92	Very high	93.8	Very high	48 Å²	48	49.9 Å²	49.9	34%	0.336	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-59.4	-33	175.1	61	0	0	0	0	112.5	T156 D179 F183 T184	T156-S181 WeakPolarHBondContact CG2-OG 3.46Å; D179-S181 PolarHBondContact O-N 3.07Å; D179-S181 WeakPolarHBondContact OD1-CB 3.13Å; D179-S181 PolarHBondContact OD1-N 3.09Å; D179-S181 PolarHBondContact OD1-OG 3.23Å; S181-F183 PolarHBondContact O-N 3.11Å; S181-F183 VanDerWaalsContact O-N 3.08Å; S181-T184 WeakPolarHBondContact O-CB 3.4Å; S181-T184 PolarHBondContact O-N 3.36Å; S181-T184 VanDerWaalsContact O-N 3.07Å; S181-T184 PolarHBondContact O-OG1 2.84Å
182	T	93.8	Very high	93.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.9	-29.2	175	-56.8	0	0	0	0	113.4	I154 T156 F159 D179 P180	I154-T182 HydrophobicContact CB-CG2 4.49Å; I154-T182 HydrophobicContact CG2-CG2 3.65Å; T156-T182 WeakPolarHBondContact O-CA 3.26Å; F159-T182 HydrophobicContact CD2-CG2 3.79Å; F159-T182 HydrophobicContact CE2-CG2 3.74Å; D179-T182 VanDerWaalsContact O-CB 3.27Å; D179-T182 WeakPolarHBondContact O-CB 3.3Å; D179-T182 PolarHBondContact O-N 3.42Å; D179-T182 PolarHBondContact O-OG1 2.87Å; P180-T182 PolarHBondContact O-N 3.42Å
183	F	93.6	Very high	93.6	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.031	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-101.6	-3.3	-176.6	-56.9	-87.4	0	0	0	113.5	L168 L178 P180 S181 S185 L186 L189 F208 W211	L168-F183 HydrophobicContact CD2-CE1 4.07Å; L178-F183 HydrophobicContact CB-CE2 4.39Å; L178-F183 HydrophobicContact CD1-CE2 4.36Å; L178-F183 HydrophobicContact CD1-CZ 4.12Å; L178-F183 HydrophobicContact CD2-CZ 4.48Å; P180-F183 PolarHBondContact O-N 3.25Å; P180-F183 VanDerWaalsContact O-N 3.1Å; S181-F183 PolarHBondContact O-N 3.11Å; S181-F183 VanDerWaalsContact O-N 3.08Å; F183-S185 VanDerWaalsContact C-N 3.27Å; F183-S185 PolarHBondContact O-N 3.18Å; F183-L186 HydrophobicContact CD1-CD1 4.15Å; F183-L186 WeakPolarHBondContact O-CB 3.46Å; F183-L186 PolarHBondContact O-N 3.24Å; F183-L189 HydrophobicContact CD1-CD2 4.14Å; F183-F208 HydrophobicContact CD2-CE2 4.44Å; F183-F208 HydrophobicContact CE2-CD2 4.15Å; F183-F208 AromaticContact CE2-CE2 3.76Å; F183-F208 HydrophobicContact CE2-CE2 3.76Å; F183-F208 HydrophobicContact CZ-CE2 4.26Å; F183-W211 HydrophobicContact CB-CD2 4.41Å; F183-W211 HydrophobicContact CB-CH2 4.19Å; F183-W211 HydrophobicContact CB-CZ2 3.5Å; F183-W211 VanDerWaalsContact CB-CZ2 3.5Å; F183-W211 AromaticContact CD1-CH2 3.71Å; F183-W211 HydrophobicContact CD1-CH2 3.71Å; F183-W211 AromaticContact CD1-CZ2 3.84Å; F183-W211 HydrophobicContact CD1-CZ2 3.84Å; F183-W211 HydrophobicContact CD1-CZ3 4.4Å; F183-W211 HydrophobicContact CD2-CD2 4.4Å; F183-W211 HydrophobicContact CD2-CE3 4.31Å; F183-W211 HydrophobicContact CD2-CH2 4.2Å; F183-W211 HydrophobicContact CD2-CZ2 4.26Å; F183-W211 HydrophobicContact CD2-CZ3 4.22Å; F183-W211 HydrophobicContact CE1-CH2 4.13Å; F183-W211 HydrophobicContact CE2-CZ3 4.39Å; F183-W211 HydrophobicContact CG-CD2 4.47Å; F183-W211 AromaticContact CG-CE2 3.97Å; F183-W211 AromaticContact CG-CH2 3.75Å; F183-W211 HydrophobicContact CG-CH2 3.75Å; F183-W211 AromaticContact CG-CZ2 3.6Å; F183-W211 HydrophobicContact CG-CZ2 3.6Å; F183-W211 HydrophobicContact CG-CZ3 4.24Å
184	T	90	Very high	93.4	Very high	103 Å²	103	50.8 Å²	50.8	63%	0.632	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.2	-172.3	-62.3	0	0	0	0	113.6	P180 S181 N187	P180-T184 PolarHBondContact O-OG1 2.96Å; S181-T184 WeakPolarHBondContact O-CB 3.4Å; S181-T184 PolarHBondContact O-N 3.36Å; S181-T184 VanDerWaalsContact O-N 3.07Å; S181-T184 PolarHBondContact O-OG1 2.84Å; T184-N187 PolarHBondContact O-ND2 3.46Å
185	S	89.9	Confident	93.2	Very high	32 Å²	32	48.7 Å²	48.7	22%	0.224	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.8	171.9	58	0	0	0	0	113.6	F159 F183 N187	F159-S185 PolarHBondContact O-OG 3.03Å; F183-S185 VanDerWaalsContact C-N 3.27Å; F183-S185 PolarHBondContact O-N 3.18Å; S185-N187 VanDerWaalsContact C-N 3.29Å; S185-N187 PolarHBondContact O-N 2.63Å; S185-N187 PolarHBondContact O-ND2 3.38Å
186	L	94.1	Very high	93.1	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	29%	0.291	C	S	.	.			trans	-89.5	54.3	-164.1	-60.2	-176.1	0	0	0	113.4	F159 C162 L165 L168 F183 R188 L189	F159-L186 HydrophobicContact CB-CD1 4.05Å; F159-L186 HydrophobicContact CB-CD2 3.78Å; F159-L186 HydrophobicContact CB-CG 4.09Å; F159-L186 HydrophobicContact CD2-CD1 3.96Å; F159-L186 HydrophobicContact CG-CD1 4.11Å; C162-L186 HydrophobicContact CB-CD2 4.47Å; C162-L186 WeakPolarHBondContact O-CD2 3.32Å; L165-L186 HydrophobicContact CB-CD2 3.87Å; L165-L186 HydrophobicContact CD2-CD1 4.08Å; L165-L186 HydrophobicContact CD2-CD2 4.16Å; L168-L186 HydrophobicContact CD2-CD1 4.48Å; F183-L186 HydrophobicContact CD1-CD1 4.15Å; F183-L186 WeakPolarHBondContact O-CB 3.46Å; F183-L186 PolarHBondContact O-N 3.24Å; L186-R188 PolarHBondContact O-N 2.82Å; L186-L189 HydrophobicContact CB-CB 4.09Å; L186-L189 HydrophobicContact CB-CD2 4.45Å; L186-L189 HydrophobicContact CD1-CD2 4.22Å; L186-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 3.25Å
187	N	90.5	Very high	93.2	Very high	140 Å²	140	51.1 Å²	51.1	75%	0.749	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	2.8	-176	-65.3	-89.7	0	0	0	115.4	T184 S185	T184-N187 PolarHBondContact O-ND2 3.46Å; S185-N187 VanDerWaalsContact C-N 3.29Å; S185-N187 PolarHBondContact O-N 2.63Å; S185-N187 PolarHBondContact O-ND2 3.38Å
188	R	94.4	Very high	93.4	Very high	153 Å²	153	49.3 Å²	49.3	58%	0.577	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	4.6	176.9	-66.5	-168.5	173.3	-168.3	-8.5	113.6	N164 L165 S166 L186 M190	N164-R188 PolarHBondContact OD1-NH1 3.38Å; L165-R188 CarbonylContact O-C 3.25Å; L165-R188 VanDerWaalsContact O-C 3.3Å; S166-R188 VanDerWaalsContact CA-O 3.29Å; S166-R188 WeakPolarHBondContact CA-O 3.18Å; S166-R188 WeakPolarHBondContact CB-O 3.45Å; L186-R188 PolarHBondContact O-N 2.82Å; R188-M190 PolarHBondContact O-N 2.96Å
189	L	95.2	Very high	93.5	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.079	28%	0.277	C	S	.	.			trans	-66.8	121.9	-177.2	-166.3	66.8	0	0	0	110.5	L165 L168 F183 L186 V191 C192 W211 F215	L165-L189 WeakPolarHBondContact O-CA 3.46Å; L165-L189 PolarHBondContact O-N 2.83Å; L168-L189 HydrophobicContact CB-CD1 3.87Å; F183-L189 HydrophobicContact CD1-CD2 4.14Å; L186-L189 HydrophobicContact CB-CB 4.09Å; L186-L189 HydrophobicContact CB-CD2 4.45Å; L186-L189 HydrophobicContact CD1-CD2 4.22Å; L186-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 3.25Å; L189-V191 WeakPolarHBondContact CD1-O 3.4Å; L189-C192 HydrophobicContact CD2-CB 4.08Å; L189-W211 HydrophobicContact CD2-CH2 4.4Å; L189-W211 HydrophobicContact CD2-CZ2 4.35Å; L189-F215 HydrophobicContact CB-CE2 4.06Å; L189-F215 HydrophobicContact CD2-CE2 3.81Å; L189-F215 HydrophobicContact CD2-CZ 4.12Å; L189-F215 HydrophobicContact CG-CE2 3.76Å; L189-F215 HydrophobicContact CG-CZ 3.98Å; L189-F215 WeakPolarHBondContact O-CE2 3.47Å
190	M	93.3	Very high	93.6	Very high	105 Å²	105	47.3 Å²	47.3	52%	0.517	27%	0.267	S	S	.	.			trans	-117.6	-21.8	177.9	-63.4	-57.4	-54.4	0	0	112.5	S166 R188 T219	S166-M190 PolarHBondContact O-N 3.05Å; R188-M190 PolarHBondContact O-N 2.96Å; M190-T219 HydrophobicContact CE-CG2 4.45Å; M190-T219 WeakPolarHBondContact O-CB 3.13Å; M190-T219 VanDerWaalsContact O-CG2 3.26Å; M190-T219 WeakPolarHBondContact O-CG2 3.46Å
191	V	93.4	Very high	93.7	Very high	48 Å²	48	46 Å²	46	29%	0.291	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.9	179.2	-179.5	0	0	0	0	109.2	S166 L168 L189 E193	S166-V191 PolarHBondContact O-N 2.66Å; L168-V191 PolarHBondContact N-O 3Å; L189-V191 WeakPolarHBondContact CD1-O 3.4Å; V191-E193 HydrophobicContact CG1-CG 4.11Å
192	C	94.4	Very high	93.6	Very high	8 Å²	8	44 Å²	44	5%	0.054	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	86.6	178.5	-165.8	0	0	0	0	109.6	L168 L189 L194 F215	L168-C192 CarbonylContact O-C 3.55Å; L168-C192 VanDerWaalsContact O-CA 3.31Å; L168-C192 WeakPolarHBondContact O-CA 3.1Å; L189-C192 HydrophobicContact CD2-CB 4.08Å; C192-L194 PolarHBondContact O-N 2.87Å; C192-F215 HydrophobicContact CB-CD1 4.5Å; C192-F215 HydrophobicContact CB-CE1 3.56Å; C192-F215 HydrophobicContact CB-CZ 3.59Å
193	E	94.3	Very high	93.3	Very high	73 Å²	73	44.8 Å²	44.8	34%	0.341	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.9	-177.7	-62.6	-71.6	149.9	0	0	110.1	L168 D169 L170 S171 V191	L168-E193 PolarHBondContact O-N 3.05Å; D169-E193 HydrophobicContact CB-CB 4.17Å; D169-E193 HydrophobicContact CB-CG 4.46Å; L170-E193 CarbonylContact C-O 3.3Å; L170-E193 PolarHBondContact N-O 2.7Å; S171-E193 PolarHBondContact N-O 3.04Å; V191-E193 HydrophobicContact CG1-CG 4.11Å
194	L	94.9	Very high	93.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.276	C	S	.	.			trans	-125.7	-1.1	-172.6	-73.7	167.8	0	0	0	113.6	L170 L178 C192 N197 F199 F208 L212 L225	L170-L194 HydrophobicContact CB-CD2 4.23Å; L170-L194 HydrophobicContact CD1-CD2 4.36Å; L178-L194 HydrophobicContact CD1-CD2 3.83Å; C192-L194 PolarHBondContact O-N 2.87Å; L194-N197 PolarHBondContact O-ND2 2.86Å; L194-F199 HydrophobicContact CB-CZ 4.24Å; L194-F199 HydrophobicContact CD2-CZ 4.44Å; L194-F208 HydrophobicContact CD1-CZ 3.85Å; L194-L212 HydrophobicContact CD1-CD1 3.96Å; L194-L225 HydrophobicContact CB-CD1 3.74Å; L194-L225 HydrophobicContact CB-CD2 4.06Å; L194-L225 HydrophobicContact CD1-CD1 4.24Å
195	A	93.5	Very high	93.2	Very high	38 Å²	38	45.3 Å²	45.3	31%	0.314	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	151.1	-178.1	0	0	0	0	0	113.9	S171 S172 N197 L225	S171-A195 CarbonylContact C-O 3.52Å; S171-A195 WeakPolarHBondContact CA-O 3.15Å; S171-A195 WeakPolarHBondContact CB-O 3.43Å; S172-A195 PolarHBondContact N-O 2.84Å; A195-N197 VanDerWaalsContact C-N 3.31Å; A195-N197 PolarHBondContact O-N 2.86Å; A195-L225 HydrophobicContact CB-CD2 4.43Å
196	A	94.1	Very high	93.2	Very high	75 Å²	75	46.7 Å²	46.7	62%	0.62	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	34.3	178.7	0	0	0	0	0	115.7
197	N	96.6	Very high	93	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.053	27%	0.266	C	S	.	.			trans	-101.7	142.4	166.9	-81.1	-80.3	0	0	0	111.6	L170 N173 K174 L175 L194 A195 F199	L170-N197 PolarHBondContact O-ND2 2.91Å; N173-N197 VanDerWaalsContact CA-OD1 3.31Å; N173-N197 WeakPolarHBondContact CA-OD1 3.34Å; N173-N197 WeakPolarHBondContact CB-OD1 3.44Å; N173-N197 PolarHBondContact N-OD1 3.05Å; N173-N197 PolarHBondContact O-OD1 3.15Å; K174-N197 PolarHBondContact N-OD1 3.33Å; L175-N197 HydrophobicContact CB-CB 4.17Å; L175-N197 VanDerWaalsContact CB-OD1 3.29Å; L175-N197 WeakPolarHBondContact CB-OD1 3.48Å; L175-N197 WeakPolarHBondContact CG-OD1 3.42Å; L175-N197 PolarHBondContact N-OD1 3.01Å; L194-N197 PolarHBondContact O-ND2 2.86Å; A195-N197 VanDerWaalsContact C-N 3.31Å; A195-N197 PolarHBondContact O-N 2.86Å; N197-F199 VanDerWaalsContact C-N 3.29Å; N197-F199 HydrophobicContact CB-CD2 4.11Å; N197-F199 HydrophobicContact CB-CE2 3.63Å; N197-F199 HydrophobicContact CB-CZ 3.85Å; N197-F199 VanDerWaalsContact O-CD2 3.32Å; N197-F199 WeakPolarHBondContact O-CD2 3.31Å; N197-F199 PolarHBondContact O-N 2.93Å
198	P	96.1	Very high	93.1	Very high	47 Å²	47	42.7 Å²	42.7	31%	0.305	23%	0.231	S	C	.	.			trans	-82.4	63	-173.3	35.3	-38.5	0	0	0	112.7	N173 A176 H200 E228	N173-P198 WeakPolarHBondContact O-CD 3.37Å; A176-P198 WeakPolarHBondContact CA-O 3.47Å; P198-H200 PolarHBondContact O-N 2.94Å; P198-E228 HydrophobicContact CB-CB 4.01Å; P198-E228 HydrophobicContact CB-CG 3.94Å
199	F	95.8	Very high	93	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	135.8	-171.9	-71.2	-73.8	0	0	0	113.8	L178 L194 N197 L205 F208 L225 E228 T229 L238	L178-F199 HydrophobicContact CD1-CE1 4.32Å; L194-F199 HydrophobicContact CB-CZ 4.24Å; L194-F199 HydrophobicContact CD2-CZ 4.44Å; N197-F199 VanDerWaalsContact C-N 3.29Å; N197-F199 HydrophobicContact CB-CD2 4.11Å; N197-F199 HydrophobicContact CB-CE2 3.63Å; N197-F199 HydrophobicContact CB-CZ 3.85Å; N197-F199 VanDerWaalsContact O-CD2 3.32Å; N197-F199 WeakPolarHBondContact O-CD2 3.31Å; N197-F199 PolarHBondContact O-N 2.93Å; F199-L205 HydrophobicContact CB-CD2 4.37Å; F199-L205 HydrophobicContact CD1-CD1 4.31Å; F199-F208 HydrophobicContact CE1-CE1 4.24Å; F199-L225 HydrophobicContact CE2-CD1 4.23Å; F199-E228 PolarHBondContact O-N 2.67Å; F199-T229 PolarHBondContact O-N 3.22Å; F199-T229 VanDerWaalsContact O-N 3.13Å; F199-L238 HydrophobicContact CB-CD1 4.43Å; F199-L238 HydrophobicContact CB-CD2 4.26Å; F199-L238 HydrophobicContact CD1-CD1 4.37Å; F199-L238 HydrophobicContact CD2-CD1 3.81Å; F199-L238 HydrophobicContact CE2-CD1 4.09Å; F199-L238 HydrophobicContact CG-CD1 3.95Å
200	H	94.5	Very high	92.8	Very high	49 Å²	49	36.9 Å²	36.9	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	95.1	178.5	-178.6	78.4	0	0	0	110.3	A176 R177 P198 G202 T229	A176-H200 HydrophobicContact CB-CB 4.21Å; A176-H200 VanDerWaalsContact O-CB 3.31Å; A176-H200 WeakPolarHBondContact O-CB 3.1Å; A176-H200 PolarHBondContact O-N 2.95Å; R177-H200 HydrophobicContact CG-CB 4.3Å; R177-H200 PolarHBondContact NE-CD2 3.37Å; R177-H200 PolarHBondContact NH2-CD2 2.81Å; R177-H200 VanDerWaalsContact NH2-CD2 3.32Å; R177-H200 PolarHBondContact NH2-NE2 2.8Å; P198-H200 PolarHBondContact O-N 2.94Å; H200-G202 PolarHBondContact O-N 3.12Å; H200-T229 CarbonylContact C-O 3.57Å; H200-T229 WeakPolarHBondContact CA-O 3.29Å; H200-T229 WeakPolarHBondContact CA-OG1 3.33Å; H200-T229 WeakPolarHBondContact CB-OG1 3.09Å; H200-T229 PolarHBondContact ND1-OG1 3.13Å
201	C	92.8	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.			trans	-75.8	62.8	-179	-64.8	0	0	0	0	112.3	L205 C227 T229 P230 L233 L238 A249 L253	C201-L205 HydrophobicContact CB-CD2 4.49Å; C201-C227 HydrophobicContact CB-CB 3.84Å; C201-C227 WeakPolarHBondContact CB-SG 3.21Å; C201-C227 WeakPolarHBondContact SG-CB 3.2Å; C201-C227 CovalentContact SG-SG 2.02Å; C201-C227 PolarHBondContact SG-SG 2.77Å; C201-T229 PolarHBondContact N-O 3.01Å; C201-P230 WeakPolarHBondContact O-CD 3.44Å; C201-L233 HydrophobicContact CB-CB 4.47Å; C201-L233 HydrophobicContact CB-CD1 3.98Å; C201-L233 WeakPolarHBondContact O-CD1 3.28Å; C201-L238 WeakPolarHBondContact SG-CD2 3.31Å; C201-A249 HydrophobicContact CB-CB 4.4Å; C201-L253 HydrophobicContact CB-CD1 4.49Å
202	G	90.3	Very high	92.7	Very high	7 Å²	7	31.8 Å²	31.8	7%	0.072	18%	0.183	C	C	.	.	S	Bend	trans	-99.9	176.8	161.7	0	0	0	0	0	111.3	H200 E204 L205	H200-G202 PolarHBondContact O-N 3.12Å; G202-E204 PolarHBondContact O-N 2.95Å; G202-E204 VanDerWaalsContact O-N 3.12Å; G202-L205 WeakPolarHBondContact O-CB 3.47Å; G202-L205 PolarHBondContact O-N 2.97Å
203	C	88.9	Confident	92.5	Very high	17 Å²	17	34.2 Å²	34.2	12%	0.115	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.5	-28	-176.5	-58.6	0	0	0	0	114.6	L205 Y206 C257 G260 V261 I262	C203-L205 PolarHBondContact O-N 3.41Å; C203-Y206 WeakPolarHBondContact O-CB 3.37Å; C203-Y206 PolarHBondContact O-N 3.34Å; C203-C257 WeakPolarHBondContact CA-SG 3.46Å; C203-C257 HydrophobicContact CB-CB 3.75Å; C203-C257 WeakPolarHBondContact CB-SG 3.32Å; C203-C257 VanDerWaalsContact SG-CA 3.6Å; C203-C257 WeakPolarHBondContact SG-CB 3.38Å; C203-C257 CovalentContact SG-SG 2.03Å; C203-C257 PolarHBondContact SG-SG 2.87Å; C203-G260 WeakPolarHBondContact CB-O 3.07Å; C203-V261 VanDerWaalsContact SG-C 3.55Å; C203-I262 WeakPolarHBondContact SG-CG1 3.26Å; C203-I262 PolarHBondContact SG-N 2.94Å
204	E	87.9	Confident	92.4	Very high	121 Å²	121	37.2 Å²	37.2	57%	0.565	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-57.5	-32.9	173.2	-63.7	176.5	-131	0	0	112.7	R177 G202 Y206	R177-E204 VanDerWaalsContact CD-OE2 3.24Å; R177-E204 WeakPolarHBondContact CD-OE2 3.16Å; R177-E204 IonicContact CZ-OE1 3.47Å; R177-E204 VanDerWaalsContact CZ-OE1 3.22Å; R177-E204 IonicContact CZ-OE2 3.54Å; R177-E204 IonicContact NE-OE2 2.6Å; R177-E204 IonicContact NH1-OE1 2.67Å; R177-E204 PolarHBondContact NH1-OE1 3.35Å; R177-E204 IonicContact NH1-OE2 2.66Å; R177-E204 PolarHBondContact NH1-OE2 3.44Å; R177-E204 IonicContact NH2-OE1 3.08Å; G202-E204 PolarHBondContact O-N 2.95Å; G202-E204 VanDerWaalsContact O-N 3.12Å; E204-Y206 VanDerWaalsContact C-N 3.35Å
205	L	91.9	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-78.2	-18.5	-178.3	-161.2	71.8	0	0	0	112.6	F199 C201 G202 C203 S207 F208 L209 L238	F199-L205 HydrophobicContact CB-CD2 4.37Å; F199-L205 HydrophobicContact CD1-CD1 4.31Å; C201-L205 HydrophobicContact CB-CD2 4.49Å; G202-L205 WeakPolarHBondContact O-CB 3.47Å; G202-L205 PolarHBondContact O-N 2.97Å; C203-L205 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.49Å; L205-F208 HydrophobicContact CD1-CB 4.46Å; L205-F208 HydrophobicContact CD1-CD1 3.83Å; L205-F208 HydrophobicContact CD1-CG 4.49Å; L205-F208 HydrophobicContact CG-CD1 4.31Å; L205-F208 WeakPolarHBondContact O-CB 3.21Å; L205-F208 PolarHBondContact O-N 3.06Å; L205-L209 HydrophobicContact CD2-CD1 4.5Å; L205-L209 HydrophobicContact CD2-CD2 4.2Å; L205-L209 HydrophobicContact CD2-CG 4.33Å; L205-L209 HydrophobicContact CG-CD2 4.32Å; L205-L209 HydrophobicContact CG-CG 4.16Å; L205-L209 WeakPolarHBondContact O-CG 3.34Å; L205-L209 PolarHBondContact O-N 3.3Å; L205-L238 HydrophobicContact CD2-CD2 4.37Å
206	Y	90	Very high	92	Very high	61 Å²	61	36.8 Å²	36.8	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-39.4	-172.7	173.6	-98.5	0	0	0	113.4	C203 E204 F208 L209 T210 R250 L253 L254	C203-Y206 WeakPolarHBondContact O-CB 3.37Å; C203-Y206 PolarHBondContact O-N 3.34Å; E204-Y206 VanDerWaalsContact C-N 3.35Å; Y206-F208 VanDerWaalsContact C-N 3.35Å; Y206-L209 PolarHBondContact O-N 3.49Å; Y206-T210 PolarHBondContact O-N 3.19Å; Y206-T210 VanDerWaalsContact O-N 3.08Å; Y206-T210 PolarHBondContact O-OG1 2.84Å; Y206-T210 VanDerWaalsContact O-OG1 3.13Å; Y206-R250 HydrophobicContact CD2-CG 4.32Å; Y206-R250 HydrophobicContact CE2-CG 3.97Å; Y206-L253 HydrophobicContact CD2-CB 4.03Å; Y206-L254 HydrophobicContact CE2-CB 3.89Å; Y206-L254 HydrophobicContact CE2-CD1 4.41Å
207	S	90	Very high	91.7	Very high	66 Å²	66	37.7 Å²	37.7	46%	0.462	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-41.7	176.6	-51.5	0	0	0	0	111.6	L205 T210 W211	L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.49Å; S207-T210 PolarHBondContact O-N 2.86Å; S207-W211 PolarHBondContact O-N 2.92Å
208	F	93.8	Very high	91.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-39.4	175	171.2	-100.8	0	0	0	112.4	L178 F183 L194 F199 L205 Y206 T210 W211 L212	L178-F208 HydrophobicContact CB-CD1 4.28Å; L178-F208 HydrophobicContact CB-CD2 3.6Å; L178-F208 HydrophobicContact CB-CE1 4.4Å; L178-F208 HydrophobicContact CB-CE2 3.75Å; L178-F208 HydrophobicContact CB-CG 3.89Å; L178-F208 HydrophobicContact CB-CZ 4.16Å; L178-F208 HydrophobicContact CD1-CD2 4.42Å; L178-F208 HydrophobicContact CD1-CE1 4.21Å; L178-F208 HydrophobicContact CD1-CE2 3.69Å; L178-F208 HydrophobicContact CD1-CZ 3.57Å; L178-F208 HydrophobicContact CG-CE2 4.38Å; L178-F208 HydrophobicContact CG-CZ 4.5Å; L178-F208 WeakPolarHBondContact O-CB 3.48Å; F183-F208 HydrophobicContact CD2-CE2 4.44Å; F183-F208 HydrophobicContact CE2-CD2 4.15Å; F183-F208 AromaticContact CE2-CE2 3.76Å; F183-F208 HydrophobicContact CE2-CE2 3.76Å; F183-F208 HydrophobicContact CZ-CE2 4.26Å; L194-F208 HydrophobicContact CD1-CZ 3.85Å; F199-F208 HydrophobicContact CE1-CE1 4.24Å; L205-F208 HydrophobicContact CD1-CB 4.46Å; L205-F208 HydrophobicContact CD1-CD1 3.83Å; L205-F208 HydrophobicContact CD1-CG 4.49Å; L205-F208 HydrophobicContact CG-CD1 4.31Å; L205-F208 WeakPolarHBondContact O-CB 3.21Å; L205-F208 PolarHBondContact O-N 3.06Å; Y206-F208 VanDerWaalsContact C-N 3.35Å; F208-T210 PolarHBondContact O-N 3.21Å; F208-W211 AromaticContact CD2-CE3 3.9Å; F208-W211 HydrophobicContact CD2-CE3 3.9Å; F208-W211 HydrophobicContact CD2-CZ3 4.42Å; F208-W211 AromaticContact CE2-CE3 3.56Å; F208-W211 HydrophobicContact CE2-CE3 3.56Å; F208-W211 AromaticContact CE2-CZ3 3.63Å; F208-W211 HydrophobicContact CE2-CZ3 3.63Å; F208-W211 HydrophobicContact CZ-CE3 4.38Å; F208-W211 HydrophobicContact CZ-CZ3 4.25Å; F208-W211 PolarHBondContact O-N 3.47Å; F208-L212 HydrophobicContact CE1-CD2 4.21Å; F208-L212 HydrophobicContact CZ-CB 4.5Å; F208-L212 HydrophobicContact CZ-CD1 4.41Å; F208-L212 HydrophobicContact CZ-CD2 4.5Å; F208-L212 WeakPolarHBondContact O-CB 3.21Å; F208-L212 PolarHBondContact O-N 2.98Å
209	L	92	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-29.7	174.6	-65.2	-173.6	0	0	0	112.8	L205 Y206 L212 E213 L238 A249 R250 L253	L205-L209 HydrophobicContact CD2-CD1 4.5Å; L205-L209 HydrophobicContact CD2-CD2 4.2Å; L205-L209 HydrophobicContact CD2-CG 4.33Å; L205-L209 HydrophobicContact CG-CD2 4.32Å; L205-L209 HydrophobicContact CG-CG 4.16Å; L205-L209 WeakPolarHBondContact O-CG 3.34Å; L205-L209 PolarHBondContact O-N 3.3Å; Y206-L209 PolarHBondContact O-N 3.49Å; L209-L212 HydrophobicContact CD2-CD2 4.48Å; L209-E213 WeakPolarHBondContact O-CB 3.39Å; L209-E213 PolarHBondContact O-N 2.9Å; L209-E213 VanDerWaalsContact O-N 3.07Å; L209-L238 HydrophobicContact CD2-CB 3.8Å; L209-L238 HydrophobicContact CD2-CD1 3.97Å; L209-L238 HydrophobicContact CD2-CD2 4.31Å; L209-L238 HydrophobicContact CD2-CG 4.24Å; L209-A249 HydrophobicContact CD1-CB 3.99Å; L209-R250 HydrophobicContact CB-CB 4.17Å; L209-R250 HydrophobicContact CB-CG 4.15Å; L209-R250 HydrophobicContact CD1-CB 3.97Å; L209-L253 HydrophobicContact CD1-CD1 3.95Å
210	T	90.4	Very high	89.9	Confident	46 Å²	46	46.1 Å²	46.1	28%	0.282	24%	0.237	S	C	.	.	H	α-helix	trans	-74.2	-42.2	175.8	-59.6	0	0	0	0	111.5	Y206 S207 F208 E213 E214 R250	Y206-T210 PolarHBondContact O-N 3.19Å; Y206-T210 VanDerWaalsContact O-N 3.08Å; Y206-T210 PolarHBondContact O-OG1 2.84Å; Y206-T210 VanDerWaalsContact O-OG1 3.13Å; S207-T210 PolarHBondContact O-N 2.86Å; F208-T210 PolarHBondContact O-N 3.21Å; T210-E213 PolarHBondContact O-N 2.87Å; T210-E214 PolarHBondContact O-N 2.88Å; T210-E214 VanDerWaalsContact O-N 3.14Å; T210-R250 PolarHBondContact OG1-NE 3.02Å
211	W	92.9	Very high	89	Confident	43 Å²	43	45 Å²	45	16%	0.163	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-41.8	170.1	172.1	84.5	0	0	0	112.4	P180 F183 L189 S207 F208 E213 E214 F215	P180-W211 HydrophobicContact CB-CB 3.7Å; P180-W211 HydrophobicContact CB-CG 4.09Å; F183-W211 HydrophobicContact CB-CD2 4.41Å; F183-W211 HydrophobicContact CB-CH2 4.19Å; F183-W211 HydrophobicContact CB-CZ2 3.5Å; F183-W211 VanDerWaalsContact CB-CZ2 3.5Å; F183-W211 AromaticContact CD1-CH2 3.71Å; F183-W211 HydrophobicContact CD1-CH2 3.71Å; F183-W211 AromaticContact CD1-CZ2 3.84Å; F183-W211 HydrophobicContact CD1-CZ2 3.84Å; F183-W211 HydrophobicContact CD1-CZ3 4.4Å; F183-W211 HydrophobicContact CD2-CD2 4.4Å; F183-W211 HydrophobicContact CD2-CE3 4.31Å; F183-W211 HydrophobicContact CD2-CH2 4.2Å; F183-W211 HydrophobicContact CD2-CZ2 4.26Å; F183-W211 HydrophobicContact CD2-CZ3 4.22Å; F183-W211 HydrophobicContact CE1-CH2 4.13Å; F183-W211 HydrophobicContact CE2-CZ3 4.39Å; F183-W211 HydrophobicContact CG-CD2 4.47Å; F183-W211 AromaticContact CG-CE2 3.97Å; F183-W211 AromaticContact CG-CH2 3.75Å; F183-W211 HydrophobicContact CG-CH2 3.75Å; F183-W211 AromaticContact CG-CZ2 3.6Å; F183-W211 HydrophobicContact CG-CZ2 3.6Å; F183-W211 HydrophobicContact CG-CZ3 4.24Å; L189-W211 HydrophobicContact CD2-CH2 4.4Å; L189-W211 HydrophobicContact CD2-CZ2 4.35Å; S207-W211 PolarHBondContact O-N 2.92Å; F208-W211 AromaticContact CD2-CE3 3.9Å; F208-W211 HydrophobicContact CD2-CE3 3.9Å; F208-W211 HydrophobicContact CD2-CZ3 4.42Å; F208-W211 AromaticContact CE2-CE3 3.56Å; F208-W211 HydrophobicContact CE2-CE3 3.56Å; F208-W211 AromaticContact CE2-CZ3 3.63Å; F208-W211 HydrophobicContact CE2-CZ3 3.63Å; F208-W211 HydrophobicContact CZ-CE3 4.38Å; F208-W211 HydrophobicContact CZ-CZ3 4.25Å; F208-W211 PolarHBondContact O-N 3.47Å; W211-E213 VanDerWaalsContact C-N 3.31Å; W211-E213 PolarHBondContact O-N 3.49Å; W211-E214 PolarHBondContact O-N 3.38Å; W211-F215 HydrophobicContact CH2-CB 4.25Å; W211-F215 HydrophobicContact CH2-CD1 4.33Å; W211-F215 HydrophobicContact CH2-CD2 4.08Å; W211-F215 AromaticContact CH2-CG 3.96Å; W211-F215 HydrophobicContact CH2-CG 3.96Å; W211-F215 HydrophobicContact CZ2-CB 4.16Å; W211-F215 AromaticContact CZ2-CD2 3.82Å; W211-F215 HydrophobicContact CZ2-CD2 3.82Å; W211-F215 HydrophobicContact CZ2-CE2 4.45Å; W211-F215 HydrophobicContact CZ2-CG 4.03Å; W211-F215 HydrophobicContact CZ3-CB 4.5Å; W211-F215 WeakPolarHBondContact O-CB 3.35Å; W211-F215 PolarHBondContact O-N 3.05Å
212	L	92.4	Very high	87.9	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-33.8	179.6	-174.7	69.6	0	0	0	112	L194 F208 L209 N216 L225 L238 L239	L194-L212 HydrophobicContact CD1-CD1 3.96Å; F208-L212 HydrophobicContact CE1-CD2 4.21Å; F208-L212 HydrophobicContact CZ-CB 4.5Å; F208-L212 HydrophobicContact CZ-CD1 4.41Å; F208-L212 HydrophobicContact CZ-CD2 4.5Å; F208-L212 WeakPolarHBondContact O-CB 3.21Å; F208-L212 PolarHBondContact O-N 2.98Å; L209-L212 HydrophobicContact CD2-CD2 4.48Å; L212-N216 VanDerWaalsContact O-CB 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.34Å; L212-N216 PolarHBondContact O-N 2.68Å; L212-L225 HydrophobicContact CD2-CD1 3.98Å; L212-L238 HydrophobicContact CD2-CD1 4.49Å; L212-L239 HydrophobicContact CB-CD1 4.16Å; L212-L239 HydrophobicContact CD2-CD1 3.86Å; L212-L239 HydrophobicContact CD2-CG 4.31Å; L212-L239 HydrophobicContact CG-CD1 3.73Å
213	E	90.4	Very high	87.1	Confident	58 Å²	58	53.3 Å²	53.3	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-68.1	-42.9	174.1	-170.8	179.1	-90.8	0	0	111.4	L209 T210 W211 N217 L239 R250	L209-E213 WeakPolarHBondContact O-CB 3.39Å; L209-E213 PolarHBondContact O-N 2.9Å; L209-E213 VanDerWaalsContact O-N 3.07Å; T210-E213 PolarHBondContact O-N 2.87Å; W211-E213 VanDerWaalsContact C-N 3.31Å; W211-E213 PolarHBondContact O-N 3.49Å; E213-N217 WeakPolarHBondContact O-CB 3.36Å; E213-N217 PolarHBondContact O-N 3.12Å; E213-N217 VanDerWaalsContact O-N 3.14Å; E213-N217 PolarHBondContact O-ND2 2.81Å; E213-L239 HydrophobicContact CB-CD1 4.13Å; E213-L239 HydrophobicContact CB-CD2 3.98Å; E213-L239 HydrophobicContact CG-CD2 4.43Å; E213-R250 WeakPolarHBondContact OE1-CD 3.31Å; E213-R250 IonicContact OE1-CZ 3.25Å; E213-R250 IonicContact OE1-NE 2.98Å; E213-R250 IonicContact OE1-NH1 2.69Å; E213-R250 PolarHBondContact OE1-NH1 2.92Å; E213-R250 IonicContact OE2-CZ 2.68Å; E213-R250 IonicContact OE2-NE 3.34Å; E213-R250 IonicContact OE2-NH1 3.19Å; E213-R250 PolarHBondContact OE2-NH1 3.11Å; E213-R250 IonicContact OE2-NH2 3.05Å; E213-R250 PolarHBondContact OE2-NH2 3.22Å
214	E	90.6	Very high	86.7	Confident	136 Å²	136	63.4 Å²	63.4	64%	0.636	30%	0.304	S	S	*	.	H	α-helix	trans	-62.8	-47.8	173.7	-175.1	171.4	-162.9	0	0	111.5	T210 W211 N217 V218	T210-E214 PolarHBondContact O-N 2.88Å; T210-E214 VanDerWaalsContact O-N 3.14Å; W211-E214 PolarHBondContact O-N 3.38Å; E214-N217 PolarHBondContact O-N 3Å; E214-V218 PolarHBondContact O-N 3.48Å
215	F	91.4	Very high	86.9	Confident	19 Å²	19	58.3 Å²	58.3	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-55.1	176.6	-178.1	-99.4	0	0	0	111.8	L189 C192 W211 N217 V218 T219	L189-F215 HydrophobicContact CB-CE2 4.06Å; L189-F215 HydrophobicContact CD2-CE2 3.81Å; L189-F215 HydrophobicContact CD2-CZ 4.12Å; L189-F215 HydrophobicContact CG-CE2 3.76Å; L189-F215 HydrophobicContact CG-CZ 3.98Å; L189-F215 WeakPolarHBondContact O-CE2 3.47Å; C192-F215 HydrophobicContact CB-CD1 4.5Å; C192-F215 HydrophobicContact CB-CE1 3.56Å; C192-F215 HydrophobicContact CB-CZ 3.59Å; W211-F215 HydrophobicContact CH2-CB 4.25Å; W211-F215 HydrophobicContact CH2-CD1 4.33Å; W211-F215 HydrophobicContact CH2-CD2 4.08Å; W211-F215 AromaticContact CH2-CG 3.96Å; W211-F215 HydrophobicContact CH2-CG 3.96Å; W211-F215 HydrophobicContact CZ2-CB 4.16Å; W211-F215 AromaticContact CZ2-CD2 3.82Å; W211-F215 HydrophobicContact CZ2-CD2 3.82Å; W211-F215 HydrophobicContact CZ2-CE2 4.45Å; W211-F215 HydrophobicContact CZ2-CG 4.03Å; W211-F215 HydrophobicContact CZ3-CB 4.5Å; W211-F215 WeakPolarHBondContact O-CB 3.35Å; W211-F215 PolarHBondContact O-N 3.05Å; F215-N217 PolarHBondContact O-N 3.02Å; F215-N217 VanDerWaalsContact O-N 3.17Å; F215-V218 PolarHBondContact O-N 2.98Å; F215-T219 HydrophobicContact CD1-CG2 4.28Å; F215-T219 HydrophobicContact CD2-CG2 4.12Å; F215-T219 HydrophobicContact CE1-CG2 3.93Å; F215-T219 HydrophobicContact CE2-CG2 3.75Å; F215-T219 HydrophobicContact CG-CG2 4.38Å; F215-T219 HydrophobicContact CZ-CG2 3.65Å; F215-T219 PolarHBondContact O-N 3.02Å; F215-T219 PolarHBondContact O-OG1 2.98Å
216	N	89.3	Confident	86.9	Confident	11 Å²	11	63.2 Å²	63.2	6%	0.059	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-23.5	-178.6	-73	-5	0	0	0	113.4	L212 H220 T221 Y222	L212-N216 VanDerWaalsContact O-CB 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.34Å; L212-N216 PolarHBondContact O-N 2.68Å; N216-H220 WeakPolarHBondContact O-CA 3.35Å; N216-H220 PolarHBondContact O-N 3.26Å; N216-T221 PolarHBondContact ND2-O 2.85Å; N216-T221 VanDerWaalsContact ND2-O 3.12Å; N216-T221 PolarHBondContact OD1-O 2.85Å; N216-T221 VanDerWaalsContact OD1-O 3.1Å; N216-T221 PolarHBondContact OD1-OG1 3.19Å; N216-Y222 HydrophobicContact CB-CE1 4.5Å
217	N	87.6	Confident	87	Confident	94 Å²	94	60.4 Å²	60.4	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-76.2	-22.7	172.8	-75.1	-29.1	0	0	0	113.3	E213 E214 F215	E213-N217 WeakPolarHBondContact O-CB 3.36Å; E213-N217 PolarHBondContact O-N 3.12Å; E213-N217 VanDerWaalsContact O-N 3.14Å; E213-N217 PolarHBondContact O-ND2 2.81Å; E214-N217 PolarHBondContact O-N 3Å; F215-N217 PolarHBondContact O-N 3.02Å; F215-N217 VanDerWaalsContact O-N 3.17Å
218	V	86.3	Confident	87.3	Confident	103 Å²	103	62.5 Å²	62.5	62%	0.624	30%	0.295	S	S	*	.	H	α-helix	trans	-90.3	-36.1	175.7	174.7	0	0	0	0	111.9	E214 F215	E214-V218 PolarHBondContact O-N 3.48Å; F215-V218 PolarHBondContact O-N 2.98Å
219	T	84.2	Confident	87.2	Confident	21 Å²	21	65 Å²	65	13%	0.129	31%	0.31	C	S	.	.	H	α-helix	trans	-98.5	-16.3	-174.8	59.8	0	0	0	0	114.3	M190 F215 T221	M190-T219 HydrophobicContact CE-CG2 4.45Å; M190-T219 WeakPolarHBondContact O-CB 3.13Å; M190-T219 VanDerWaalsContact O-CG2 3.26Å; M190-T219 WeakPolarHBondContact O-CG2 3.46Å; F215-T219 HydrophobicContact CD1-CG2 4.28Å; F215-T219 HydrophobicContact CD2-CG2 4.12Å; F215-T219 HydrophobicContact CE1-CG2 3.93Å; F215-T219 HydrophobicContact CE2-CG2 3.75Å; F215-T219 HydrophobicContact CG-CG2 4.38Å; F215-T219 HydrophobicContact CZ-CG2 3.65Å; F215-T219 PolarHBondContact O-N 3.02Å; F215-T219 PolarHBondContact O-OG1 2.98Å; T219-T221 PolarHBondContact O-N 2.69Å; T219-T221 PolarHBondContact OG1-N 2.66Å; T219-T221 PolarHBondContact OG1-OG1 2.73Å
220	H	80.5	Confident	87.2	Confident	112 Å²	112	66.2 Å²	66.2	52%	0.519	32%	0.318	S	S	.	.			trans	58.3	23.7	-170.6	-55.5	-54.9	0	0	0	114.8	N216 Y222	N216-H220 WeakPolarHBondContact O-CA 3.35Å; N216-H220 PolarHBondContact O-N 3.26Å; H220-Y222 HydrophobicContact CB-CD2 4.46Å; H220-Y222 HydrophobicContact CB-CE2 3.85Å; H220-Y222 AromaticContact ND1-CE2 4Å; H220-Y222 PolarHBondContact ND1-OH 3.04Å; H220-Y222 WeakPolarHBondContact O-CD2 3.38Å; H220-Y222 PolarHBondContact O-N 2.99Å
221	T	75.4	Confident	87.1	Confident	25 Å²	25	69 Å²	69	15%	0.153	34%	0.337	C	S	.	.			trans	-79.4	76.5	177.4	48.7	0	0	0	0	112.3	N216 T219 D223	N216-T221 PolarHBondContact ND2-O 2.85Å; N216-T221 VanDerWaalsContact ND2-O 3.12Å; N216-T221 PolarHBondContact OD1-O 2.85Å; N216-T221 VanDerWaalsContact OD1-O 3.1Å; N216-T221 PolarHBondContact OD1-OG1 3.19Å; T219-T221 PolarHBondContact O-N 2.69Å; T219-T221 PolarHBondContact OG1-N 2.66Å; T219-T221 PolarHBondContact OG1-OG1 2.73Å; T221-D223 PolarHBondContact O-N 2.9Å
222	Y	69.4	Low	86.8	Confident	122 Å²	122	73.3 Å²	73.3	48%	0.478	36%	0.359	S	S	.	.			trans	-80.5	57.9	-177.5	-60.9	-66.7	0	0	0	114.3	N216 H220	N216-Y222 HydrophobicContact CB-CE1 4.5Å; H220-Y222 HydrophobicContact CB-CD2 4.46Å; H220-Y222 HydrophobicContact CB-CE2 3.85Å; H220-Y222 AromaticContact ND1-CE2 4Å; H220-Y222 PolarHBondContact ND1-OH 3.04Å; H220-Y222 WeakPolarHBondContact O-CD2 3.38Å; H220-Y222 PolarHBondContact O-N 2.99Å
223	D	73.8	Confident	86.6	Confident	60 Å²	60	74 Å²	74	32%	0.321	36%	0.362	S	S	.	.			trans	-60.1	137.3	176.8	-105.4	6.7	0	0	0	112.8	T221 L225	T221-D223 PolarHBondContact O-N 2.9Å; D223-L225 HydrophobicContact CB-CD2 3.88Å; D223-L225 HydrophobicContact CB-CG 3.84Å; D223-L225 PolarHBondContact O-N 2.91Å
224	R	81.3	Confident	86.6	Confident	230 Å²	230	74.5 Å²	74.5	87%	0.868	37%	0.369	S	S	*	.			trans	-81.5	48.4	178.2	-63.9	-173.2	178.7	-171.1	0.3	112.7
225	L	91.1	Very high	86.5	Confident	13 Å²	13	69.9 Å²	69.9	7%	0.068	36%	0.358	C	S	.	.			trans	-63.6	140.8	176.8	-50.7	-175.3	0	0	0	110.7	L194 A195 F199 L212 D223 P237 L238	L194-L225 HydrophobicContact CB-CD1 3.74Å; L194-L225 HydrophobicContact CB-CD2 4.06Å; L194-L225 HydrophobicContact CD1-CD1 4.24Å; A195-L225 HydrophobicContact CB-CD2 4.43Å; F199-L225 HydrophobicContact CE2-CD1 4.23Å; L212-L225 HydrophobicContact CD2-CD1 3.98Å; D223-L225 HydrophobicContact CB-CD2 3.88Å; D223-L225 HydrophobicContact CB-CG 3.84Å; D223-L225 PolarHBondContact O-N 2.91Å; L225-P237 CarbonylContact O-C 3.49Å; L225-P237 WeakPolarHBondContact O-CA 3.4Å; L225-L238 HydrophobicContact CB-CB 4.19Å; L225-L238 HydrophobicContact CB-CD1 3.57Å; L225-L238 HydrophobicContact CB-CG 3.72Å; L225-L238 HydrophobicContact CD1-CD1 3.96Å; L225-L238 HydrophobicContact CG-CD1 4.42Å; L225-L238 PolarHBondContact O-N 2.95Å
226	Q	92.1	Very high	86.4	Confident	104 Å²	104	72.9 Å²	72.9	49%	0.486	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-131.5	155.5	-178.3	-69.7	168.1	40.9	0	0	111.2	Y236	Q226-Y236 CarbonylContact C-O 3.59Å; Q226-Y236 VanDerWaalsContact CA-O 3.27Å; Q226-Y236 WeakPolarHBondContact CA-O 3.27Å
227	C	93.1	Very high	86.4	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.014	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.4	167.2	-56.5	0	0	0	0	110.4	C201 L233 T234 G235 Y236 A249	C201-C227 HydrophobicContact CB-CB 3.84Å; C201-C227 WeakPolarHBondContact CB-SG 3.21Å; C201-C227 WeakPolarHBondContact SG-CB 3.2Å; C201-C227 CovalentContact SG-SG 2.02Å; C201-C227 PolarHBondContact SG-SG 2.77Å; C227-L233 HydrophobicContact CB-CB 4.38Å; C227-L233 WeakPolarHBondContact CB-O 3.35Å; C227-T234 CarbonylContact O-C 3.59Å; C227-T234 WeakPolarHBondContact O-CA 3.09Å; C227-G235 PolarHBondContact O-N 2.91Å; C227-Y236 PolarHBondContact N-O 3.29Å; C227-A249 WeakPolarHBondContact SG-CB 3.42Å
228	E	94.9	Very high	86.6	Confident	109 Å²	109	69.9 Å²	69.9	51%	0.509	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-34.5	166.4	-179.6	64.8	-174	0	0	110.6	P198 F199 T234	P198-E228 HydrophobicContact CB-CB 4.01Å; P198-E228 HydrophobicContact CB-CG 3.94Å; F199-E228 PolarHBondContact O-N 2.67Å; E228-T234 WeakPolarHBondContact O-CG2 3.15Å; E228-T234 PolarHBondContact O-OG1 2.93Å
229	T	91.6	Very high	86.6	Confident	52 Å²	52	66.7 Å²	66.7	32%	0.319	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162	179.3	57.9	0	0	0	0	111.2	F199 H200 C201	F199-T229 PolarHBondContact O-N 3.22Å; F199-T229 VanDerWaalsContact O-N 3.13Å; H200-T229 CarbonylContact C-O 3.57Å; H200-T229 WeakPolarHBondContact CA-O 3.29Å; H200-T229 WeakPolarHBondContact CA-OG1 3.33Å; H200-T229 WeakPolarHBondContact CB-OG1 3.09Å; H200-T229 PolarHBondContact ND1-OG1 3.13Å; C201-T229 PolarHBondContact N-O 3.01Å
230	P	92.7	Very high	86	Confident	26 Å²	26	67.9 Å²	67.9	17%	0.169	35%	0.352	C	S	.	.	S	Bend	cis	-72.4	167.7	-7	37.3	-39.8	0	0	0	112.2	C201 E232 L233 T234	C201-P230 WeakPolarHBondContact O-CD 3.44Å; P230-E232 VanDerWaalsContact CB-OE2 3.31Å; P230-E232 WeakPolarHBondContact CB-OE2 3.29Å; P230-E232 PolarHBondContact O-N 3.37Å; P230-L233 PolarHBondContact O-N 3.47Å; P230-T234 PolarHBondContact O-N 3.13Å; P230-T234 VanDerWaalsContact O-N 3.14Å; P230-T234 PolarHBondContact O-OG1 2.96Å
231	P	87.6	Confident	84.9	Confident	106 Å²	106	71 Å²	71	69%	0.688	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.9	-171.4	-27.8	37.2	0	0	0	115.7	L233 T234	P231-L233 PolarHBondContact O-N 3.27Å; P231-T234 WeakPolarHBondContact CA-OG1 3.31Å
232	E	87.7	Confident	83.6	Confident	133 Å²	133	72.9 Å²	72.9	62%	0.621	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.6	177.8	-56.2	73.2	-160.2	0	0	112.6	P230	P230-E232 VanDerWaalsContact CB-OE2 3.31Å; P230-E232 WeakPolarHBondContact CB-OE2 3.29Å; P230-E232 PolarHBondContact O-N 3.37Å
233	L	87.3	Confident	82.5	Confident	18 Å²	18	74 Å²	74	9%	0.094	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-1.3	-178	-62.4	179.7	0	0	0	113.7	C201 C227 P230 P231 G235 Y236 I252	C201-L233 HydrophobicContact CB-CB 4.47Å; C201-L233 HydrophobicContact CB-CD1 3.98Å; C201-L233 WeakPolarHBondContact O-CD1 3.28Å; C227-L233 HydrophobicContact CB-CB 4.38Å; C227-L233 WeakPolarHBondContact CB-O 3.35Å; P230-L233 PolarHBondContact O-N 3.47Å; P231-L233 PolarHBondContact O-N 3.27Å; L233-G235 PolarHBondContact O-N 3.47Å; L233-Y236 HydrophobicContact CB-CD2 4.49Å; L233-Y236 HydrophobicContact CD2-CD2 4.34Å; L233-Y236 HydrophobicContact CD2-CE2 4.46Å; L233-Y236 HydrophobicContact CD2-CG 4.45Å; L233-Y236 WeakPolarHBondContact O-CB 3.31Å; L233-Y236 WeakPolarHBondContact O-CD2 3.33Å; L233-Y236 PolarHBondContact O-N 3.36Å; L233-I252 HydrophobicContact CD2-CD1 3.68Å; L233-I252 HydrophobicContact CD2-CG2 4.12Å
234	T	90.8	Very high	81.3	Confident	68 Å²	68	74.7 Å²	74.7	42%	0.417	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	129.9	176.8	-56.9	0	0	0	0	111.4	C227 E228 P230 P231 Y236	C227-T234 CarbonylContact O-C 3.59Å; C227-T234 WeakPolarHBondContact O-CA 3.09Å; E228-T234 WeakPolarHBondContact O-CG2 3.15Å; E228-T234 PolarHBondContact O-OG1 2.93Å; P230-T234 PolarHBondContact O-N 3.13Å; P230-T234 VanDerWaalsContact O-N 3.14Å; P230-T234 PolarHBondContact O-OG1 2.96Å; P231-T234 WeakPolarHBondContact CA-OG1 3.31Å; T234-Y236 VanDerWaalsContact C-N 3.31Å; T234-Y236 PolarHBondContact O-N 2.95Å
235	G	88.2	Confident	80.1	Confident	39 Å²	39	71.2 Å²	71.2	40%	0.402	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-7	-177.1	0	0	0	0	0	115.8	C227 L233	C227-G235 PolarHBondContact O-N 2.91Å; L233-G235 PolarHBondContact O-N 3.47Å
236	Y	88.8	Confident	78.4	Confident	82 Å²	82	73.2 Å²	73.2	32%	0.322	45%	0.445	S	S	.	.			trans	-69.4	137.2	172.2	-80.1	-106.9	0	0	0	110.3	Q226 C227 L233 T234 R247 I252	Q226-Y236 CarbonylContact C-O 3.59Å; Q226-Y236 VanDerWaalsContact CA-O 3.27Å; Q226-Y236 WeakPolarHBondContact CA-O 3.27Å; C227-Y236 PolarHBondContact N-O 3.29Å; L233-Y236 HydrophobicContact CB-CD2 4.49Å; L233-Y236 HydrophobicContact CD2-CD2 4.34Å; L233-Y236 HydrophobicContact CD2-CE2 4.46Å; L233-Y236 HydrophobicContact CD2-CG 4.45Å; L233-Y236 WeakPolarHBondContact O-CB 3.31Å; L233-Y236 WeakPolarHBondContact O-CD2 3.33Å; L233-Y236 PolarHBondContact O-N 3.36Å; T234-Y236 VanDerWaalsContact C-N 3.31Å; T234-Y236 PolarHBondContact O-N 2.95Å; Y236-R247 HydrophobicContact CE1-CB 4.28Å; Y236-I252 HydrophobicContact CD1-CD1 3.72Å; Y236-I252 HydrophobicContact CE1-CD1 3.71Å
237	P	90.8	Very high	77.3	Confident	42 Å²	42	75 Å²	75	27%	0.273	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-71.8	141.9	178	32.4	-36.1	0	0	0	110.5	L225 L239 N248 A249	L225-P237 CarbonylContact O-C 3.49Å; L225-P237 WeakPolarHBondContact O-CA 3.4Å; P237-L239 WeakPolarHBondContact CB-O 3.44Å; P237-N248 CarbonylContact O-C 3.48Å; P237-N248 WeakPolarHBondContact O-CA 3.43Å; P237-N248 WeakPolarHBondContact O-CB 3.27Å; P237-A249 PolarHBondContact O-N 2.97Å
238	L	90.8	Very high	76.9	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	45%	0.449	C	S	.	.	S	Bend	trans	-62.8	-48.6	-177.8	-65.1	-165.5	0	0	0	111.7	F199 C201 L205 L209 L212 L225 A249 R250	F199-L238 HydrophobicContact CB-CD1 4.43Å; F199-L238 HydrophobicContact CB-CD2 4.26Å; F199-L238 HydrophobicContact CD1-CD1 4.37Å; F199-L238 HydrophobicContact CD2-CD1 3.81Å; F199-L238 HydrophobicContact CE2-CD1 4.09Å; F199-L238 HydrophobicContact CG-CD1 3.95Å; C201-L238 WeakPolarHBondContact SG-CD2 3.31Å; L205-L238 HydrophobicContact CD2-CD2 4.37Å; L209-L238 HydrophobicContact CD2-CB 3.8Å; L209-L238 HydrophobicContact CD2-CD1 3.97Å; L209-L238 HydrophobicContact CD2-CD2 4.31Å; L209-L238 HydrophobicContact CD2-CG 4.24Å; L212-L238 HydrophobicContact CD2-CD1 4.49Å; L225-L238 HydrophobicContact CB-CB 4.19Å; L225-L238 HydrophobicContact CB-CD1 3.57Å; L225-L238 HydrophobicContact CB-CG 3.72Å; L225-L238 HydrophobicContact CD1-CD1 3.96Å; L225-L238 HydrophobicContact CG-CD1 4.42Å; L225-L238 PolarHBondContact O-N 2.95Å; L238-A249 HydrophobicContact CD2-CB 4.3Å; L238-R250 PolarHBondContact O-N 3.32Å
239	L	86.8	Confident	76.6	Confident	35 Å²	35	70.2 Å²	70.2	18%	0.183	43%	0.425	C	S	.	.	S	Bend	trans	-121.6	165.7	175.6	-61.8	178.4	0	0	0	109.9	L212 E213 P237 R250	L212-L239 HydrophobicContact CB-CD1 4.16Å; L212-L239 HydrophobicContact CD2-CD1 3.86Å; L212-L239 HydrophobicContact CD2-CG 4.31Å; L212-L239 HydrophobicContact CG-CD1 3.73Å; E213-L239 HydrophobicContact CB-CD1 4.13Å; E213-L239 HydrophobicContact CB-CD2 3.98Å; E213-L239 HydrophobicContact CG-CD2 4.43Å; P237-L239 WeakPolarHBondContact CB-O 3.44Å; L239-R250 HydrophobicContact CD2-CB 4.19Å
240	G	72.3	Confident	76.5	Confident	46 Å²	46	69.4 Å²	69.4	47%	0.474	42%	0.416	S	S	.	.			trans	-119.6	112.9	-159.8	0	0	0	0	0	116.2	N248	G240-N248 PolarHBondContact N-ND2 3.16Å
241	Q	55.8	Low	76.2	Confident	179 Å²	179	71.6 Å²	71.6	84%	0.836	43%	0.426	S	S	*	.			trans	-135	89.7	138.9	-73.3	-158.3	21	0	0	109.1
242	A	49	Very low	76.1	Confident	64 Å²	64	68.3 Å²	68.3	53%	0.529	40%	0.403	S	S	.	.			trans	-132.1	116.1	175.1	0	0	0	0	0	109.1	G244	A242-G244 PolarHBondContact O-N 3.28Å
243	P	45.8	Very low	76.1	Confident	144 Å²	144	62 Å²	62	94%	0.935	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	112.1	-176.2	28.1	-33.4	0	0	0	110.5
244	G	49.7	Very low	76	Confident	75 Å²	75	65.9 Å²	65.9	77%	0.773	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.5	-35.7	166.4	0	0	0	0	0	116.9	A242	A242-G244 PolarHBondContact O-N 3.28Å
245	Q	54.9	Low	75.5	Confident	158 Å²	158	67.1 Å²	67.1	74%	0.738	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	-8.5	-173.4	-75.4	-155.2	1.7	0	0	118.3	R247	Q245-R247 PolarHBondContact O-N 3.32Å
246	G	56.7	Low	75	Confident	54 Å²	54	66.4 Å²	66.4	56%	0.557	40%	0.396	S	S	*	.			trans	62.7	5.5	172.8	0	0	0	0	0	117	N248 N251	G246-N248 PolarHBondContact O-N 3.42Å; G246-N251 PolarHBondContact O-ND2 3.11Å
247	R	69.1	Low	74.7	Confident	141 Å²	141	64.1 Å²	64.1	53%	0.532	39%	0.391	S	S	.	.			trans	-88.5	89.1	178.8	-71.3	179.3	177.9	-167.4	-0.5	110.6	Y236 Q245 I252	Y236-R247 HydrophobicContact CE1-CB 4.28Å; Q245-R247 PolarHBondContact O-N 3.32Å; R247-I252 HydrophobicContact CB-CD1 4.36Å
248	N	84.7	Confident	73.8	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.059	41%	0.409	C	S	.	.			trans	-92.5	168.2	161.3	63.5	16.9	0	0	0	110	P237 G240 G246 R250 N251 I252	P237-N248 CarbonylContact O-C 3.48Å; P237-N248 WeakPolarHBondContact O-CA 3.43Å; P237-N248 WeakPolarHBondContact O-CB 3.27Å; G240-N248 PolarHBondContact N-ND2 3.16Å; G246-N248 PolarHBondContact O-N 3.42Å; N248-R250 VanDerWaalsContact C-N 3.25Å; N248-R250 PolarHBondContact O-N 3.08Å; N248-R250 PolarHBondContact OD1-N 3.31Å; N248-N251 PolarHBondContact O-N 2.63Å; N248-N251 WeakPolarHBondContact OD1-CB 3.4Å; N248-N251 PolarHBondContact OD1-N 2.99Å; N248-N251 PolarHBondContact OD1-ND2 3.33Å; N248-I252 WeakPolarHBondContact O-CG1 3.44Å; N248-I252 PolarHBondContact O-N 3.45Å
249	A	88.6	Confident	72.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-58.2	-39.5	179.3	0	0	0	0	0	112	C201 L209 C227 P237 L238 I252 L253	C201-A249 HydrophobicContact CB-CB 4.4Å; L209-A249 HydrophobicContact CD1-CB 3.99Å; C227-A249 WeakPolarHBondContact SG-CB 3.42Å; P237-A249 PolarHBondContact O-N 2.97Å; L238-A249 HydrophobicContact CD2-CB 4.3Å; A249-I252 PolarHBondContact O-N 3.26Å; A249-L253 WeakPolarHBondContact O-CB 3.19Å; A249-L253 VanDerWaalsContact O-CG 3.3Å; A249-L253 WeakPolarHBondContact O-CG 3.3Å; A249-L253 PolarHBondContact O-N 3.12Å
250	R	88.8	Confident	71	Confident	36 Å²	36	78.8 Å²	78.8	14%	0.136	47%	0.468	C	S	.	.	H	α-helix	trans	-59.8	-47.1	-180	-172.7	172.6	174.9	-99.3	-2	113	Y206 L209 T210 E213 L238 L239 N248 L253 L254	Y206-R250 HydrophobicContact CD2-CG 4.32Å; Y206-R250 HydrophobicContact CE2-CG 3.97Å; L209-R250 HydrophobicContact CB-CB 4.17Å; L209-R250 HydrophobicContact CB-CG 4.15Å; L209-R250 HydrophobicContact CD1-CB 3.97Å; T210-R250 PolarHBondContact OG1-NE 3.02Å; E213-R250 WeakPolarHBondContact OE1-CD 3.31Å; E213-R250 IonicContact OE1-CZ 3.25Å; E213-R250 IonicContact OE1-NE 2.98Å; E213-R250 IonicContact OE1-NH1 2.69Å; E213-R250 PolarHBondContact OE1-NH1 2.92Å; E213-R250 IonicContact OE2-CZ 2.68Å; E213-R250 IonicContact OE2-NE 3.34Å; E213-R250 IonicContact OE2-NH1 3.19Å; E213-R250 PolarHBondContact OE2-NH1 3.11Å; E213-R250 IonicContact OE2-NH2 3.05Å; E213-R250 PolarHBondContact OE2-NH2 3.22Å; L238-R250 PolarHBondContact O-N 3.32Å; L239-R250 HydrophobicContact CD2-CB 4.19Å; N248-R250 VanDerWaalsContact C-N 3.25Å; N248-R250 PolarHBondContact O-N 3.08Å; N248-R250 PolarHBondContact OD1-N 3.31Å; R250-L253 PolarHBondContact O-N 2.76Å; R250-L254 VanDerWaalsContact O-CB 3.3Å; R250-L254 WeakPolarHBondContact O-CB 3.4Å; R250-L254 PolarHBondContact O-N 3.12Å
251	N	86.3	Confident	70.3	Confident	71 Å²	71	81.2 Å²	81.2	38%	0.38	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-38	179.5	-72.6	-13.1	0	0	0	111.9	G246 N248 S255	G246-N251 PolarHBondContact O-ND2 3.11Å; N248-N251 PolarHBondContact O-N 2.63Å; N248-N251 WeakPolarHBondContact OD1-CB 3.4Å; N248-N251 PolarHBondContact OD1-N 2.99Å; N248-N251 PolarHBondContact OD1-ND2 3.33Å; N251-S255 PolarHBondContact O-N 3.15Å; N251-S255 PolarHBondContact O-OG 2.9Å
252	I	86.3	Confident	70.7	Confident	37 Å²	37	76.2 Å²	76.2	19%	0.19	45%	0.452	C	S	.	.	H	α-helix	trans	-65.2	-50.8	175.7	-62.2	168	0	0	0	109.5	L233 Y236 R247 N248 A249 L254 S255 A256	L233-I252 HydrophobicContact CD2-CD1 3.68Å; L233-I252 HydrophobicContact CD2-CG2 4.12Å; Y236-I252 HydrophobicContact CD1-CD1 3.72Å; Y236-I252 HydrophobicContact CE1-CD1 3.71Å; R247-I252 HydrophobicContact CB-CD1 4.36Å; N248-I252 WeakPolarHBondContact O-CG1 3.44Å; N248-I252 PolarHBondContact O-N 3.45Å; A249-I252 PolarHBondContact O-N 3.26Å; I252-L254 PolarHBondContact O-N 2.98Å; I252-S255 PolarHBondContact O-N 2.91Å; I252-S255 VanDerWaalsContact O-N 3.1Å; I252-S255 PolarHBondContact O-OG 2.98Å; I252-A256 VanDerWaalsContact O-CB 3.28Å; I252-A256 WeakPolarHBondContact O-CB 3.4Å; I252-A256 PolarHBondContact O-N 3.03Å
253	L	87.2	Confident	71.1	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.01	45%	0.45	C	S	.	.	H	α-helix	trans	-61.5	-40.9	179	-69.6	171.1	0	0	0	112.5	C201 Y206 L209 A249 R250 S255 A256 C257	C201-L253 HydrophobicContact CB-CD1 4.49Å; Y206-L253 HydrophobicContact CD2-CB 4.03Å; L209-L253 HydrophobicContact CD1-CD1 3.95Å; A249-L253 WeakPolarHBondContact O-CB 3.19Å; A249-L253 VanDerWaalsContact O-CG 3.3Å; A249-L253 WeakPolarHBondContact O-CG 3.3Å; A249-L253 PolarHBondContact O-N 3.12Å; R250-L253 PolarHBondContact O-N 2.76Å; L253-S255 PolarHBondContact O-N 2.93Å; L253-A256 PolarHBondContact O-N 2.73Å; L253-C257 VanDerWaalsContact CD2-SG 3.59Å; L253-C257 WeakPolarHBondContact O-CB 3.49Å; L253-C257 PolarHBondContact O-N 2.83Å; L253-C257 PolarHBondContact O-SG 2.91Å; L253-C257 VanDerWaalsContact O-SG 3.39Å
254	L	84.6	Confident	70.9	Confident	99 Å²	99	77 Å²	77	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-53.8	-39.4	172.9	173.8	61.1	0	0	0	112.5	Y206 R250 I252	Y206-L254 HydrophobicContact CE2-CB 3.89Å; Y206-L254 HydrophobicContact CE2-CD1 4.41Å; R250-L254 VanDerWaalsContact O-CB 3.3Å; R250-L254 WeakPolarHBondContact O-CB 3.4Å; R250-L254 PolarHBondContact O-N 3.12Å; I252-L254 PolarHBondContact O-N 2.98Å
255	S	80.1	Confident	70.7	Confident	93 Å²	93	76.7 Å²	76.7	65%	0.65	44%	0.443	S	S	*	.	H	α-helix	trans	-84.7	-29.5	-179.9	70.3	0	0	0	0	114.3	N251 I252 L253	N251-S255 PolarHBondContact O-N 3.15Å; N251-S255 PolarHBondContact O-OG 2.9Å; I252-S255 PolarHBondContact O-N 2.91Å; I252-S255 VanDerWaalsContact O-N 3.1Å; I252-S255 PolarHBondContact O-OG 2.98Å; L253-S255 PolarHBondContact O-N 2.93Å
256	A	78.8	Confident	69.8	Low	25 Å²	25	78.2 Å²	78.2	21%	0.207	45%	0.452	C	S	.	.	H	α-helix	trans	-98.8	-21.2	-170.2	0	0	0	0	0	114	I252 L253 I262 I263	I252-A256 VanDerWaalsContact O-CB 3.28Å; I252-A256 WeakPolarHBondContact O-CB 3.4Å; I252-A256 PolarHBondContact O-N 3.03Å; L253-A256 PolarHBondContact O-N 2.73Å; A256-I262 HydrophobicContact CB-CG2 4.34Å; A256-I262 WeakPolarHBondContact O-CA 3.27Å; A256-I263 PolarHBondContact O-N 3.21Å
257	C	82.7	Confident	69.2	Low	33 Å²	33	81.3 Å²	81.3	22%	0.223	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.5	-175.8	-67.4	0	0	0	0	112.3	C203 L253 V261	C203-C257 WeakPolarHBondContact CA-SG 3.46Å; C203-C257 HydrophobicContact CB-CB 3.75Å; C203-C257 WeakPolarHBondContact CB-SG 3.32Å; C203-C257 VanDerWaalsContact SG-CA 3.6Å; C203-C257 WeakPolarHBondContact SG-CB 3.38Å; C203-C257 CovalentContact SG-SG 2.03Å; C203-C257 PolarHBondContact SG-SG 2.87Å; L253-C257 VanDerWaalsContact CD2-SG 3.59Å; L253-C257 WeakPolarHBondContact O-CB 3.49Å; L253-C257 PolarHBondContact O-N 2.83Å; L253-C257 PolarHBondContact O-SG 2.91Å; L253-C257 VanDerWaalsContact O-SG 3.39Å; C257-V261 WeakPolarHBondContact CA-O 3.5Å
258	R	71.7	Confident	67.7	Low	174 Å²	174	80 Å²	80	66%	0.657	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.5	168.7	-170.6	176	-178.7	156.8	5.6	109.1	G260 V261 I263	R258-G260 PolarHBondContact O-N 2.85Å; R258-V261 PolarHBondContact N-O 2.84Å; R258-V261 PolarHBondContact O-N 2.89Å; R258-I263 HydrophobicContact CB-CD1 3.92Å; R258-I263 HydrophobicContact CB-CG1 4.26Å
259	D	59.3	Low	65.1	Low	154 Å²	154	87.8 Å²	87.8	82%	0.824	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	35.2	179	-50.9	-41.4	0	0	0	113.5
260	G	58.1	Low	62.4	Low	59 Å²	59	95 Å²	95	61%	0.608	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-0.4	-179.9	0	0	0	0	0	116.2	C203 R258	C203-G260 WeakPolarHBondContact CB-O 3.07Å; R258-G260 PolarHBondContact O-N 2.85Å
261	V	58.5	Low	59.9	Low	96 Å²	96	99 Å²	99	58%	0.582	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.7	139	-174.8	-175	0	0	0	0	111.1	C203 C257 R258 I263	C203-V261 VanDerWaalsContact SG-C 3.55Å; C257-V261 WeakPolarHBondContact CA-O 3.5Å; R258-V261 PolarHBondContact N-O 2.84Å; R258-V261 PolarHBondContact O-N 2.89Å; V261-I263 PolarHBondContact O-N 3.03Å
262	I	62.9	Low	57.3	Low	74 Å²	74	101.9 Å²	101.9	38%	0.379	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.2	120.9	169.8	-60.4	177.7	0	0	0	108	C203 A256 P264	C203-I262 WeakPolarHBondContact SG-CG1 3.26Å; C203-I262 PolarHBondContact SG-N 2.94Å; A256-I262 HydrophobicContact CB-CG2 4.34Å; A256-I262 WeakPolarHBondContact O-CA 3.27Å; I262-P264 WeakPolarHBondContact O-CD 3.08Å
263	I	58.6	Low	55.4	Low	96 Å²	96	105 Å²	105	49%	0.492	61%	0.613	S	S	.	*			trans	-68.3	116.7	178.7	-59.4	175.6	0	0	0	109.8	A256 R258 V261 G265	A256-I263 PolarHBondContact O-N 3.21Å; R258-I263 HydrophobicContact CB-CD1 3.92Å; R258-I263 HydrophobicContact CB-CG1 4.26Å; V261-I263 PolarHBondContact O-N 3.03Å; I263-G265 PolarHBondContact O-N 2.04Å; I263-G265 VanDerWaalsContact O-N 3.17Å
264	P	41.7	Very low	52.8	Low	128 Å²	128	112.5 Å²	112.5	83%	0.831	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	109.5	175.8	-11.8	29.2	0	0	0	108.9	I262	I262-P264 WeakPolarHBondContact O-CD 3.08Å
265	G	44.8	Very low	50.5	Low	70 Å²	70	111.5 Å²	111.5	72%	0.722	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.4	-11	-179	0	0	0	0	0	116.9	I263	I263-G265 PolarHBondContact O-N 2.04Å; I263-G265 VanDerWaalsContact O-N 3.17Å
266	M	37	Very low	48.4	Very low	189 Å²	189	113.2 Å²	113.2	93%	0.931	68%	0.679	S	S	*	*			trans	-119.8	73.3	176.8	-70.2	-165.3	175.9	0	0	112.8
267	T	43.5	Very low	46.3	Very low	119 Å²	119	115.3 Å²	115.3	73%	0.73	70%	0.703	S	S	*	*			trans	-120.8	157.4	152.8	52.7	0	0	0	0	108.8
268	S	38.3	Very low	43.9	Very low	114 Å²	114	123.7 Å²	123.7	80%	0.797	74%	0.741	S	S	*	*			trans	55.6	95.1	-170.2	59.2	0	0	0	0	116.3
269	Q	29.7	Very low	42.1	Very low	175 Å²	175	119.2 Å²	119.2	82%	0.818	75%	0.749	S	S	*	*				-156.6	137.8	106	-151.2	95	38.3	0	0	109.3
270	M	32.2	Very low	41	Very low	150 Å²	150	120 Å²	120	74%	0.739	75%	0.752	S	S	*	*			trans	-80.9	137.5	151	-73.7	179.8	171.8	0	0	107.4	D272	M270-D272 VanDerWaalsContact C-N 3.25Å; M270-D272 PolarHBondContact O-N 3.01Å
271	P	36.7	Very low	39.7	Very low	120 Å²	120	124.8 Å²	124.8	78%	0.779	76%	0.764	S	S	*	*			trans	-73.6	89.1	156.4	31.2	-29.1	0	0	0	107.6	P273	P271-P273 WeakPolarHBondContact O-CD 3.21Å
272	D	31.3	Very low	38.4	Very low	132 Å²	132	127.7 Å²	127.7	71%	0.706	78%	0.777	S	S	*	*			trans	-61	126.6	165.2	-72.3	-48.3	0	0	0	108.4	M270	M270-D272 VanDerWaalsContact C-N 3.25Å; M270-D272 PolarHBondContact O-N 3.01Å
273	P	46.3	Very low	36.8	Very low	102 Å²	102	130.3 Å²	130.3	66%	0.662	80%	0.801	S	S	*	*			trans	-73.9	158.9	170.5	31.6	-33.6	0	0	0	111	P271	P271-P273 WeakPolarHBondContact O-CD 3.21Å
274	D	32.6	Very low	35.5	Very low	160 Å²	160	133.3 Å²	133.3	86%	0.856	82%	0.818	S	S	*	*			trans	67.6	86.7	164.9	-52.6	-24.8	0	0	0	117.4
275	G	35.7	Very low	35.8	Very low	78 Å²	78	132.5 Å²	132.5	80%	0.804	81%	0.813	S	S	*	*			trans	-79.4	125.4	167	0	0	0	0	0	113.3
276	S	36.3	Very low	34.9	Very low	129 Å²	129	132.5 Å²	132.5	90%	0.902	81%	0.813	S	S	*	*			trans	-168.6	136.4	164.1	-77.5	0	0	0	0	109
277	G	34	Very low	34.4	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	80%	0.803	S	S	*	*			cis	166.3	130.6	-8.4	0	0	0	0	0	111.3
278	M	33.3	Very low	33.6	Very low	208 Å²	208	134.1 Å²	134.1	100%	1.025	81%	0.807	S	S	*	*			trans	60.1	152.7	179.6	-60.8	-155.9	-156.7	0	0	118.8
279	G	33.7	Very low	33.5	Very low	80 Å²	80	134 Å²	134	83%	0.825	80%	0.803	S	S	*	*			trans	145.9	108.6	163.8	0	0	0	0	0	114
280	L	36.2	Very low	33.5	Very low	170 Å²	170	134.3 Å²	134.3	89%	0.89	80%	0.804	S	S	*	*			trans	-94.5	143.6	162.6	-71.3	121.9	0	0	0	109
281	D	30.4	Very low	33.4	Very low	161 Å²	161	133.1 Å²	133.1	86%	0.861	81%	0.808	S	S	*	*				-171.1	159.5	107.5	-110	-28.9	0	0	0	113
282	N	32.1	Very low	32.9	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	81%	0.809	S	S	*	*			trans	-93.5	147.9	177	-85.4	-19.4	0	0	0	112.2
283	S	29.6	Very low	32.8	Very low	128 Å²	128	133.9 Å²	133.9	90%	0.895	82%	0.815	S	S	*	*			trans	-155.6	141.6	155.6	-78.3	0	0	0	0	109.8
284	D	29.7	Very low	31.9	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	82%	0.821	S	S	*	*			trans	-106.2	-169.5	-159.1	-140.8	6.9	0	0	0	112.2
285	P	48.6	Very low	31.9	Very low	112 Å²	112	133 Å²	133	73%	0.727	82%	0.824	S	S	*	*				-125.7	165.6	-121.4	39	-20.4	0	0	0	116.8
286	G	26.2	Very low	31.6	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	82%	0.819	S	S	*	*			trans	151	158.3	167.9	0	0	0	0	0	113
287	L	26.8	Very low	31.4	Very low	139 Å²	139	131.8 Å²	131.8	73%	0.728	80%	0.801	S	S	*	*			cis	-164.3	152.9	-1.3	-118.3	159.9	0	0	0	110
288	Y	26.1	Very low	31.6	Very low	204 Å²	204	134.6 Å²	134.6	80%	0.8	81%	0.806	S	S	*	*			trans	69.2	155.1	172.2	-56.8	-69.1	0	0	0	118.6
289	P	35.6	Very low	31.8	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	79%	0.793	S	S	*	*				-133.9	159.4	-57.2	35.9	-20.3	0	0	0	113.8
290	Q	29.8	Very low	32	Very low	182 Å²	182	136.1 Å²	136.1	85%	0.85	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.4	139.8	166.7	-76.2	-175.2	-15.4	0	0	111.8
291	P	31.1	Very low	32.1	Very low	125 Å²	125	133.5 Å²	133.5	81%	0.812	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.3	130.6	157.6	-16.5	31.6	0	0	0	110.7
292	T	25.3	Very low	33.2	Very low	131 Å²	131	129.6 Å²	129.6	80%	0.804	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-66.9	148.2	-173.9	-24.9	0	0	0	0	113.3	A294	T292-A294 PolarHBondContact O-N 2.84Å
293	T	28.7	Very low	34.6	Very low	136 Å²	136	129.3 Å²	129.3	83%	0.834	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59	116.3	166.9	47.3	0	0	0	0	111.5
294	A	28.8	Very low	36.7	Very low	95 Å²	95	123.9 Å²	123.9	79%	0.785	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-80.4	135.7	157.7	0	0	0	0	0	109.1	T292 A296	T292-A294 PolarHBondContact O-N 2.84Å; A294-A296 PolarHBondContact O-N 3.25Å; A294-A296 VanDerWaalsContact O-N 3.11Å
295	T	32.1	Very low	39.1	Very low	148 Å²	148	118.1 Å²	118.1	91%	0.908	69%	0.688	S	S	*	*			trans	-58.7	109.3	-172.2	6.8	0	0	0	0	112.9
296	A	30.3	Very low	40.8	Very low	86 Å²	86	113.4 Å²	113.4	71%	0.711	66%	0.657	S	S	*	*			trans	-81	123	156.7	0	0	0	0	0	108.4	A294 P298	A294-A296 PolarHBondContact O-N 3.25Å; A294-A296 VanDerWaalsContact O-N 3.11Å; A296-P298 WeakPolarHBondContact O-CD 3.34Å
297	D	31.6	Very low	43.6	Very low	97 Å²	97	116.6 Å²	116.6	52%	0.519	65%	0.651	S	S	.	*			trans	-62	118.3	169.6	177.5	-8.3	0	0	0	109.2	N299 Y300	D297-N299 PolarHBondContact O-N 3.22Å; D297-N299 PolarHBondContact OD1-N 2.79Å; D297-Y300 PolarHBondContact O-N 3.44Å
298	P	36.9	Very low	46.4	Very low	128 Å²	128	113.6 Å²	113.6	83%	0.831	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-18	-177.7	-24.7	35.4	0	0	0	114.7	A296	A296-P298 WeakPolarHBondContact O-CD 3.34Å
299	N	39.2	Very low	49.2	Very low	142 Å²	142	108.4 Å²	108.4	76%	0.759	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-0.7	-176.8	-76.1	-35.8	0	0	0	114.7	D297 V301	D297-N299 PolarHBondContact O-N 3.22Å; D297-N299 PolarHBondContact OD1-N 2.79Å; N299-V301 VanDerWaalsContact C-N 3.26Å; N299-V301 PolarHBondContact O-N 2.04Å
300	Y	36.8	Very low	51.2	Low	178 Å²	178	106 Å²	106	70%	0.698	60%	0.604	S	S	*	*			trans	-79.4	70.9	-176.4	-149.1	-85.6	0	0	0	113.5	D297 P302	D297-Y300 PolarHBondContact O-N 3.44Å; Y300-P302 WeakPolarHBondContact O-CD 3.43Å
301	V	39.2	Very low	53.7	Low	115 Å²	115	99.6 Å²	99.6	70%	0.697	58%	0.578	S	S	*	*			trans	-57.7	120.4	165.4	-179.7	0	0	0	0	108.2	N299 Q303	N299-V301 VanDerWaalsContact C-N 3.26Å; N299-V301 PolarHBondContact O-N 2.04Å; V301-Q303 PolarHBondContact O-N 2.94Å
302	P	52.5	Low	56.1	Low	80 Å²	80	96 Å²	96	52%	0.519	56%	0.555	S	S	.	*			trans	-80.8	74	-171.9	33.9	-37	0	0	0	110.6	Y300 P323	Y300-P302 WeakPolarHBondContact O-CD 3.43Å; P302-P323 HydrophobicContact CB-CB 3.84Å; P302-P323 HydrophobicContact CG-CB 4.41Å; P302-P323 WeakPolarHBondContact O-CB 3.49Å; P302-P323 VanDerWaalsContact O-CG 3.31Å; P302-P323 WeakPolarHBondContact O-CG 3.47Å
303	Q	61.8	Low	58.5	Low	150 Å²	150	91 Å²	91	70%	0.701	52%	0.523	S	S	*	.			trans	-69.4	146.4	-177.5	-162.8	174.7	-3.3	0	0	111.6	V301	V301-Q303 PolarHBondContact O-N 2.94Å
304	I	73.9	Confident	61	Low	14 Å²	14	90.7 Å²	90.7	7%	0.072	51%	0.508	C	S	.	.			trans	-67.8	143.5	170.2	-67.1	148.7	0	0	0	108.4	P323 Y330 V368 H379 T380	I304-P323 HydrophobicContact CG1-CG 4.26Å; I304-Y330 HydrophobicContact CD1-CD1 4.22Å; I304-Y330 HydrophobicContact CD1-CE1 3.42Å; I304-Y330 VanDerWaalsContact CD1-CE1 3.42Å; I304-Y330 HydrophobicContact CG1-CE1 4.31Å; I304-V368 HydrophobicContact CG2-CB 4.1Å; I304-V368 HydrophobicContact CG2-CG1 3.86Å; I304-V368 HydrophobicContact CG2-CG2 4.43Å; I304-H379 HydrophobicContact CB-CB 4.34Å; I304-H379 HydrophobicContact CD1-CB 3.5Å; I304-H379 VanDerWaalsContact CD1-CG 3.47Å; I304-T380 PolarHBondContact O-OG1 3.15Å
305	S	79.3	Confident	63.6	Low	38 Å²	38	88.5 Å²	88.5	27%	0.266	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.1	174.7	59	0	0	0	0	112.1	Q321	S305-Q321 PolarHBondContact N-O 3.26Å; S305-Q321 PolarHBondContact O-N 3.47Å
306	I	85.8	Confident	66.2	Low	14 Å²	14	81.7 Å²	81.7	7%	0.072	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.2	176.8	177.6	164.3	0	0	0	106.8	L318 V320 L332 V368 T380 L382	I306-L318 HydrophobicContact CD1-CD1 4.22Å; I306-V320 HydrophobicContact CB-CG2 4.43Å; I306-V320 HydrophobicContact CD1-CG2 4.07Å; I306-V320 HydrophobicContact CG1-CG2 4.02Å; I306-L332 HydrophobicContact CD1-CD1 3.96Å; I306-V368 HydrophobicContact CB-CG2 4.29Å; I306-V368 HydrophobicContact CD1-CG2 4.1Å; I306-T380 HydrophobicContact CG2-CG2 3.68Å; I306-L382 HydrophobicContact CD1-CB 4.23Å; I306-L382 HydrophobicContact CG1-CB 4.1Å; I306-L382 HydrophobicContact CG1-CD2 3.91Å; I306-L382 HydrophobicContact CG2-CB 4Å
307	K	85	Confident	68.9	Low	136 Å²	136	78 Å²	78	59%	0.591	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.3	-176.5	-63.7	-168.8	177.1	-171.5	0	110.5	L319	K307-L319 PolarHBondContact N-O 3.4Å; K307-L319 PolarHBondContact O-N 3.3Å
308	L	84.6	Confident	71.6	Confident	76 Å²	76	73.4 Å²	73.4	40%	0.398	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.2	169.5	-160.8	59.6	0	0	0	108.5	V311 L318 L382 F384	L308-V311 HydrophobicContact CD1-CG2 3.55Å; L308-V311 HydrophobicContact CD2-CG2 3.72Å; L308-V311 HydrophobicContact CG-CG2 3.81Å; L308-L318 HydrophobicContact CD1-CD2 3.57Å; L308-L382 HydrophobicContact CB-CD2 4.1Å; L308-F384 HydrophobicContact CD1-CB 4.07Å; L308-F384 HydrophobicContact CD1-CD1 3.7Å; L308-F384 HydrophobicContact CD1-CD2 4.2Å; L308-F384 HydrophobicContact CD1-CE1 4.14Å; L308-F384 HydrophobicContact CD1-CG 3.73Å; L308-F384 HydrophobicContact CD2-CB 3.72Å; L308-F384 HydrophobicContact CD2-CG 4.28Å
309	E	84.7	Confident	74	Confident	95 Å²	95	69.6 Å²	69.6	44%	0.444	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-41.8	178.5	-171.8	-165.9	-166.1	0	0	111.2	S317 K352	E309-S317 WeakPolarHBondContact CB-O 3.43Å; E309-S317 PolarHBondContact N-O 3.33Å; E309-S317 WeakPolarHBondContact OE2-CB 3.07Å; E309-S317 PolarHBondContact OE2-OG 3.34Å; E309-K352 IonicContact OE1-NZ 2.68Å; E309-K352 PolarHBondContact OE1-NZ 2.84Å; E309-K352 VanDerWaalsContact OE2-CD 3.27Å; E309-K352 WeakPolarHBondContact OE2-CD 2.98Å; E309-K352 WeakPolarHBondContact OE2-CE 3.27Å; E309-K352 IonicContact OE2-NZ 3.52Å; E309-K352 PolarHBondContact OE2-NZ 2.99Å
310	S	77.4	Confident	76.3	Confident	60 Å²	60	62.9 Å²	62.9	42%	0.42	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155.6	173.1	62.7	0	0	0	0	111.7	A316 S317	S310-A316 CarbonylContact O-C 3.58Å; S310-A316 WeakPolarHBondContact O-CA 3.06Å; S310-S317 PolarHBondContact N-O 3.4Å; S310-S317 PolarHBondContact O-N 2.76Å; S310-S317 WeakPolarHBondContact OG-CB 3.02Å
311	V	83.4	Confident	78.5	Confident	48 Å²	48	58.2 Å²	58.2	29%	0.291	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.6	174.2	177.2	0	0	0	0	109.8	L308 A316 F384	L308-V311 HydrophobicContact CD1-CG2 3.55Å; L308-V311 HydrophobicContact CD2-CG2 3.72Å; L308-V311 HydrophobicContact CG-CG2 3.81Å; V311-A316 HydrophobicContact CG2-CB 4.16Å; V311-F384 HydrophobicContact CG1-CD2 4.34Å; V311-F384 HydrophobicContact CG2-CD2 3.73Å; V311-F384 HydrophobicContact CG2-CE2 4.14Å; V311-F384 HydrophobicContact CG2-CG 4.36Å
312	S	80.8	Confident	80.6	Confident	48 Å²	48	52.9 Å²	52.9	34%	0.336	28%	0.276	S	S	.	.			trans	-115.6	-164	178.2	-47.3	0	0	0	0	110.5	T315 R387	S312-T315 WeakPolarHBondContact CB-O 3.4Å; S312-T315 WeakPolarHBondContact CB-OG1 3.48Å; S312-T315 PolarHBondContact N-O 2.6Å; S312-T315 PolarHBondContact OG-OG1 3.46Å; S312-R387 PolarHBondContact O-N 2.96Å
313	L	75.9	Confident	81.5	Confident	27 Å²	27	50.8 Å²	50.8	14%	0.141	26%	0.263	C	S	.	.	S	Bend	trans	-71.5	-40.7	169.9	-66.9	166.2	0	0	0	112.4	R387 V389 D393	L313-R387 HydrophobicContact CD2-CB 4.12Å; L313-R387 HydrophobicContact CD2-CG 4.4Å; L313-V389 HydrophobicContact CD2-CG2 4.23Å; L313-D393 HydrophobicContact CD1-CB 4.27Å
314	Y	80.8	Confident	81.9	Confident	130 Å²	130	49.9 Å²	49.9	51%	0.51	26%	0.257	S	S	.	.	S	Bend	trans	-126.4	-0.3	-171.9	-52.8	-72.4	0	0	0	114.6	K357 L358 P360	Y314-K357 PolarHBondContact O-N 2.76Å; Y314-K357 VanDerWaalsContact O-N 3.1Å; Y314-L358 WeakPolarHBondContact CA-O 3.4Å; Y314-L358 PolarHBondContact O-N 2.95Å; Y314-P360 HydrophobicContact CE1-CG 4.09Å
315	T	84.6	Confident	81.4	Confident	49 Å²	49	50.3 Å²	50.3	30%	0.301	26%	0.26	S	S	.	.			trans	-141.6	157.3	-175.4	68.9	0	0	0	0	111.9	S312 I355 D356	S312-T315 WeakPolarHBondContact CB-O 3.4Å; S312-T315 WeakPolarHBondContact CB-OG1 3.48Å; S312-T315 PolarHBondContact N-O 2.6Å; S312-T315 PolarHBondContact OG-OG1 3.46Å; T315-I355 CarbonylContact C-O 3.22Å; T315-I355 WeakPolarHBondContact CA-O 3.4Å; T315-I355 WeakPolarHBondContact CB-O 3.5Å; T315-D356 HydrophobicContact CG2-CB 4.43Å; T315-D356 WeakPolarHBondContact CG2-OD1 3.14Å
316	A	86.7	Confident	80.5	Confident	5 Å²	5	58.6 Å²	58.6	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.1	171.9	0	0	0	0	0	111.1	S310 V311 I355 L358 F384	S310-A316 CarbonylContact O-C 3.58Å; S310-A316 WeakPolarHBondContact O-CA 3.06Å; V311-A316 HydrophobicContact CG2-CB 4.16Å; A316-I355 PolarHBondContact N-O 3.07Å; A316-I355 PolarHBondContact O-N 3.22Å; A316-L358 HydrophobicContact CB-CD1 3.73Å; A316-F384 HydrophobicContact CB-CE2 3.52Å; A316-F384 HydrophobicContact CB-CZ 3.51Å
317	S	86.1	Confident	79.5	Confident	8 Å²	8	62.3 Å²	62.3	6%	0.056	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.6	173.7	-170.7	0	0	0	0	110.5	E309 S310 K352	E309-S317 WeakPolarHBondContact CB-O 3.43Å; E309-S317 PolarHBondContact N-O 3.33Å; E309-S317 WeakPolarHBondContact OE2-CB 3.07Å; E309-S317 PolarHBondContact OE2-OG 3.34Å; S310-S317 PolarHBondContact N-O 3.4Å; S310-S317 PolarHBondContact O-N 2.76Å; S310-S317 WeakPolarHBondContact OG-CB 3.02Å; S317-K352 WeakPolarHBondContact OG-CE 3.37Å
318	L	88.8	Confident	78.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.8	175.9	-60.7	-172.3	0	0	0	110.9	I306 L308 K352 I353 I355 Y366 L382 F384	I306-L318 HydrophobicContact CD1-CD1 4.22Å; L308-L318 HydrophobicContact CD1-CD2 3.57Å; L318-K352 WeakPolarHBondContact O-CA 3.33Å; L318-I353 HydrophobicContact CB-CB 4.43Å; L318-I353 PolarHBondContact N-O 2.89Å; L318-I353 PolarHBondContact O-N 2.95Å; L318-I355 HydrophobicContact CD1-CD1 3.52Å; L318-I355 HydrophobicContact CG-CD1 3.73Å; L318-Y366 HydrophobicContact CD1-CD1 4.22Å; L318-Y366 HydrophobicContact CD1-CD2 4.12Å; L318-Y366 HydrophobicContact CD1-CG 3.81Å; L318-L382 HydrophobicContact CD2-CD2 3.75Å; L318-F384 HydrophobicContact CD1-CE1 4.42Å; L318-F384 HydrophobicContact CD2-CD1 4.3Å; L318-F384 HydrophobicContact CD2-CE1 3.9Å
319	L	86.3	Confident	78	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.251	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.7	173.7	-174.6	67.5	0	0	0	109.2	K307 K350 K352	K307-L319 PolarHBondContact N-O 3.4Å; K307-L319 PolarHBondContact O-N 3.3Å; L319-K350 HydrophobicContact CD1-CG 4.09Å; L319-K352 HydrophobicContact CD1-CB 4.36Å
320	V	87.5	Confident	78	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.3	180	-173.3	0	0	0	0	109.9	I306 I322 L346 K350 E351 I353 V368	I306-V320 HydrophobicContact CB-CG2 4.43Å; I306-V320 HydrophobicContact CD1-CG2 4.07Å; I306-V320 HydrophobicContact CG1-CG2 4.02Å; V320-I322 HydrophobicContact CG1-CD1 4.46Å; V320-I322 HydrophobicContact CG1-CG1 4.38Å; V320-L346 HydrophobicContact CG1-CD1 4.02Å; V320-K350 CarbonylContact O-C 3.58Å; V320-K350 WeakPolarHBondContact O-CA 3.12Å; V320-E351 PolarHBondContact N-O 2.8Å; V320-E351 PolarHBondContact O-N 2.76Å; V320-I353 HydrophobicContact CB-CD1 4.41Å; V320-I353 HydrophobicContact CG2-CD1 3.77Å; V320-V368 HydrophobicContact CG1-CG2 3.78Å
321	Q	82.6	Confident	78.3	Confident	80 Å²	80	57.4 Å²	57.4	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.8	177.8	-176.6	173.8	-56.7	0	0	110.5	S305 K349	S305-Q321 PolarHBondContact N-O 3.26Å; S305-Q321 PolarHBondContact O-N 3.47Å; Q321-K349 WeakPolarHBondContact CA-O 3.36Å; Q321-K349 WeakPolarHBondContact CG-O 3.08Å
322	I	84.3	Confident	78.5	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	27%	0.267	C	S	.	.			trans	-118.9	136.2	-174.3	-74.2	162.8	0	0	0	109	V320 P325 Y330 L346 K349	V320-I322 HydrophobicContact CG1-CD1 4.46Å; V320-I322 HydrophobicContact CG1-CG1 4.38Å; I322-P325 HydrophobicContact CG2-CB 4.4Å; I322-Y330 HydrophobicContact CD1-CD2 4.1Å; I322-Y330 HydrophobicContact CD1-CG 3.87Å; I322-Y330 HydrophobicContact CG1-CD2 4.43Å; I322-Y330 HydrophobicContact CG1-CG 4.32Å; I322-Y330 HydrophobicContact CG2-CD2 3.56Å; I322-Y330 HydrophobicContact CG2-CE2 3.53Å; I322-Y330 HydrophobicContact CG2-CG 4.25Å; I322-L346 HydrophobicContact CD1-CB 3.46Å; I322-L346 VanDerWaalsContact CD1-CB 3.46Å; I322-L346 HydrophobicContact CD1-CD1 3.91Å; I322-L346 HydrophobicContact CD1-CG 4.32Å; I322-K349 PolarHBondContact N-O 2.66Å; I322-K349 WeakPolarHBondContact O-CG 3.46Å
323	P	71.6	Confident	78.7	Confident	37 Å²	37	53 Å²	53	24%	0.24	25%	0.252	C	S	.	.	S	Bend	trans	-71.9	-38.8	-174.4	29.6	-38.2	0	0	0	113.7	P302 I304	P302-P323 HydrophobicContact CB-CB 3.84Å; P302-P323 HydrophobicContact CG-CB 4.41Å; P302-P323 WeakPolarHBondContact O-CB 3.49Å; P302-P323 VanDerWaalsContact O-CG 3.31Å; P302-P323 WeakPolarHBondContact O-CG 3.47Å; I304-P323 HydrophobicContact CG1-CG 4.26Å
324	K	69.1	Low	79.2	Confident	130 Å²	130	53.7 Å²	53.7	57%	0.565	25%	0.254	S	S	*	.			trans	-141.8	84.9	-175.7	-63.2	-173.4	-178.5	-176.5	0	110.8	Y326 T327	K324-Y326 PolarHBondContact O-N 2.62Å; K324-T327 HydrophobicContact CB-CG2 4.15Å; K324-T327 WeakPolarHBondContact CB-OG1 3.42Å; K324-T327 HydrophobicContact CD-CG2 4.11Å; K324-T327 PolarHBondContact O-N 2.9Å; K324-T327 PolarHBondContact O-OG1 2.87Å
325	P	63.7	Low	79.2	Confident	23 Å²	23	50.8 Å²	50.8	15%	0.149	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.1	-173.4	24.8	-34.5	0	0	0	114.5	I322 T347 K349	I322-P325 HydrophobicContact CG2-CB 4.4Å; P325-T347 WeakPolarHBondContact CB-O 3.46Å; P325-K349 HydrophobicContact CG-CB 4.36Å
326	Y	61.4	Low	78.9	Confident	212 Å²	212	53.4 Å²	53.4	83%	0.831	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.1	-176.3	-53.7	-59.8	0	0	0	114.8	K324	K324-Y326 PolarHBondContact O-N 2.62Å
327	T	63.4	Low	78.1	Confident	93 Å²	93	60.6 Å²	60.6	57%	0.571	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-15.4	-176.3	58.2	0	0	0	0	114.7	K324	K324-T327 HydrophobicContact CB-CG2 4.15Å; K324-T327 WeakPolarHBondContact CB-OG1 3.42Å; K324-T327 HydrophobicContact CD-CG2 4.11Å; K324-T327 PolarHBondContact O-N 2.9Å; K324-T327 PolarHBondContact O-OG1 2.87Å
328	K	65.8	Low	76.8	Confident	117 Å²	117	66.1 Å²	66.1	51%	0.509	33%	0.326	S	S	.	.	S	Bend	trans	-151.1	145.8	176	-68.4	-166.8	176.4	-172.4	0	109.1	Y330	K328-Y330 HydrophobicContact CB-CD2 4.48Å; K328-Y330 HydrophobicContact CB-CE2 3.9Å; K328-Y330 WeakPolarHBondContact O-CD2 3.33Å; K328-Y330 PolarHBondContact O-N 2.86Å
329	M	73.9	Confident	75.5	Confident	115 Å²	115	73.2 Å²	73.2	57%	0.567	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	120.2	170.6	-173.1	-179.8	-174.7	0	0	109.5	I331 S370 G371	M329-I331 HydrophobicContact CE-CD1 3.85Å; M329-I331 HydrophobicContact CE-CG1 4.1Å; M329-I331 HydrophobicContact CG-CD1 4.49Å; M329-I331 HydrophobicContact CG-CG1 4.21Å; M329-I331 HydrophobicContact SD-CD1 4.24Å; M329-S370 WeakPolarHBondContact O-CA 3.48Å; M329-G371 PolarHBondContact O-N 2.82Å
330	Y	83.2	Confident	75.1	Confident	18 Å²	18	73.2 Å²	73.2	7%	0.071	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139	173.8	-68.8	-76.9	0	0	0	110.1	I304 I322 K328 S345 L346 V368 A369	I304-Y330 HydrophobicContact CD1-CD1 4.22Å; I304-Y330 HydrophobicContact CD1-CE1 3.42Å; I304-Y330 VanDerWaalsContact CD1-CE1 3.42Å; I304-Y330 HydrophobicContact CG1-CE1 4.31Å; I322-Y330 HydrophobicContact CD1-CD2 4.1Å; I322-Y330 HydrophobicContact CD1-CG 3.87Å; I322-Y330 HydrophobicContact CG1-CD2 4.43Å; I322-Y330 HydrophobicContact CG1-CG 4.32Å; I322-Y330 HydrophobicContact CG2-CD2 3.56Å; I322-Y330 HydrophobicContact CG2-CE2 3.53Å; I322-Y330 HydrophobicContact CG2-CG 4.25Å; K328-Y330 HydrophobicContact CB-CD2 4.48Å; K328-Y330 HydrophobicContact CB-CE2 3.9Å; K328-Y330 WeakPolarHBondContact O-CD2 3.33Å; K328-Y330 PolarHBondContact O-N 2.86Å; Y330-S345 WeakPolarHBondContact O-CA 3.29Å; Y330-L346 PolarHBondContact O-N 3.19Å; Y330-V368 HydrophobicContact CD1-CG1 4.19Å; Y330-A369 WeakPolarHBondContact CA-O 3.35Å
331	I	85.4	Confident	74.7	Confident	14 Å²	14	76.5 Å²	76.5	7%	0.072	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.6	-175.9	-51.4	179.6	0	0	0	108.7	M329 E342 A369	M329-I331 HydrophobicContact CE-CD1 3.85Å; M329-I331 HydrophobicContact CE-CG1 4.1Å; M329-I331 HydrophobicContact CG-CD1 4.49Å; M329-I331 HydrophobicContact CG-CG1 4.21Å; M329-I331 HydrophobicContact SD-CD1 4.24Å; I331-E342 HydrophobicContact CG2-CB 4.02Å; I331-E342 HydrophobicContact CG2-CG 3.99Å; I331-A369 PolarHBondContact N-O 3.41Å; I331-A369 PolarHBondContact O-N 3.04Å
332	L	86.6	Confident	74.6	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.4	165.6	-172.6	70.9	0	0	0	108.7	I306 I343 M344 L346 I353 Y366 V368	I306-L332 HydrophobicContact CD1-CD1 3.96Å; L332-I343 PolarHBondContact O-N 2.87Å; L332-M344 HydrophobicContact CB-CG 4.1Å; L332-M344 HydrophobicContact CD2-CG 4.48Å; L332-M344 PolarHBondContact N-O 2.9Å; L332-L346 HydrophobicContact CB-CD1 4.16Å; L332-L346 HydrophobicContact CB-CD2 4.22Å; L332-L346 HydrophobicContact CB-CG 4.3Å; L332-I353 HydrophobicContact CD2-CD1 3.89Å; L332-I353 HydrophobicContact CD2-CG2 4.11Å; L332-Y366 HydrophobicContact CD2-CD1 4.29Å; L332-Y366 HydrophobicContact CG-CD1 4.36Å; L332-V368 HydrophobicContact CD1-CG2 4.41Å
333	S	85.8	Confident	74.6	Confident	2 Å²	2	80.9 Å²	80.9	1%	0.014	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.4	175.4	-54.5	0	0	0	0	110.7	T341 Y366 C367	S333-T341 CarbonylContact C-O 3.49Å; S333-T341 WeakPolarHBondContact CA-O 3.45Å; S333-Y366 WeakPolarHBondContact O-CA 3.41Å; S333-C367 PolarHBondContact N-O 2.86Å; S333-C367 PolarHBondContact O-N 3.37Å
334	Q	86.4	Confident	75.1	Confident	43 Å²	43	82.5 Å²	82.5	20%	0.201	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.5	167.4	169.6	-178.5	61.2	0	0	108.8	A340 T341 I343 Y364 T365 Y366	Q334-A340 CarbonylContact O-C 3.44Å; Q334-A340 VanDerWaalsContact O-CA 3.32Å; Q334-A340 WeakPolarHBondContact O-CA 3.44Å; Q334-T341 PolarHBondContact N-O 2.8Å; Q334-T341 PolarHBondContact O-N 2.93Å; Q334-T341 PolarHBondContact O-OG1 2.95Å; Q334-I343 HydrophobicContact CB-CD1 3.59Å; Q334-I343 HydrophobicContact CB-CG1 4.46Å; Q334-Y364 VanDerWaalsContact NE2-CD1 3.34Å; Q334-T365 WeakPolarHBondContact CA-O 3.36Å; Q334-Y366 HydrophobicContact CB-CD1 4.07Å; Q334-Y366 HydrophobicContact CB-CE1 3.8Å; Q334-Y366 HydrophobicContact CG-CE1 4.23Å; Q334-Y366 PolarHBondContact NE2-OH 2.83Å
335	Y	79.8	Confident	75.8	Confident	68 Å²	68	79.5 Å²	79.5	27%	0.267	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.4	174.8	-86	-101	0	0	0	109.8	A340 T365 C367 N378	Y335-A340 HydrophobicContact CD1-CB 4.08Å; Y335-A340 HydrophobicContact CD2-CB 4.23Å; Y335-A340 HydrophobicContact CE1-CB 3.77Å; Y335-A340 HydrophobicContact CE2-CB 3.92Å; Y335-A340 HydrophobicContact CG-CB 4.31Å; Y335-T365 PolarHBondContact N-O 2.91Å; Y335-C367 HydrophobicContact CD2-CB 3.9Å; Y335-C367 VanDerWaalsContact CD2-SG 3.58Å; Y335-C367 HydrophobicContact CE2-CB 3.8Å; Y335-N378 PolarHBondContact OH-ND2 2.81Å; Y335-N378 PolarHBondContact OH-OD1 3.2Å
336	N	79.3	Confident	76.6	Confident	104 Å²	104	78.7 Å²	78.7	56%	0.556	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	93.5	174.4	-175.3	71.3	0	0	0	108.1	T338 F339	N336-T338 PolarHBondContact O-N 2.82Å; N336-F339 PolarHBondContact N-O 2.77Å; N336-F339 PolarHBondContact O-N 2.87Å
337	D	68.6	Low	77.4	Confident	156 Å²	156	72.2 Å²	72.2	83%	0.834	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	-87.3	-171.4	-57.2	-36	0	0	0	114.3
338	T	58.7	Low	78.2	Confident	124 Å²	124	73 Å²	73	76%	0.761	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-13.4	-176.8	51.4	0	0	0	0	114.3	N336	N336-T338 PolarHBondContact O-N 2.82Å
339	F	62.8	Low	78.9	Confident	150 Å²	150	74.1 Å²	74.1	66%	0.658	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.2	-176.3	-67.1	-84.5	0	0	0	112.1	N336	N336-F339 PolarHBondContact N-O 2.77Å; N336-F339 PolarHBondContact O-N 2.87Å
340	A	76.3	Confident	79.4	Confident	47 Å²	47	74.3 Å²	74.3	39%	0.388	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.7	175.6	0	0	0	0	0	110.3	Q334 Y335	Q334-A340 CarbonylContact O-C 3.44Å; Q334-A340 VanDerWaalsContact O-CA 3.32Å; Q334-A340 WeakPolarHBondContact O-CA 3.44Å; Y335-A340 HydrophobicContact CD1-CB 4.08Å; Y335-A340 HydrophobicContact CD2-CB 4.23Å; Y335-A340 HydrophobicContact CE1-CB 3.77Å; Y335-A340 HydrophobicContact CE2-CB 3.92Å; Y335-A340 HydrophobicContact CG-CB 4.31Å
341	T	79.9	Confident	79.5	Confident	72 Å²	72	75 Å²	75	44%	0.442	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.1	176	48.6	0	0	0	0	110	S333 Q334	S333-T341 CarbonylContact C-O 3.49Å; S333-T341 WeakPolarHBondContact CA-O 3.45Å; Q334-T341 PolarHBondContact N-O 2.8Å; Q334-T341 PolarHBondContact O-N 2.93Å; Q334-T341 PolarHBondContact O-OG1 2.95Å
342	E	81.4	Confident	79.5	Confident	99 Å²	99	80.2 Å²	80.2	46%	0.463	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.9	174.6	-63	-169.5	173.3	0	0	109.9	I331 R376	I331-E342 HydrophobicContact CG2-CB 4.02Å; I331-E342 HydrophobicContact CG2-CG 3.99Å; E342-R376 IonicContact OE1-CZ 3.38Å; E342-R376 IonicContact OE1-NE 3.7Å; E342-R376 PolarHBondContact OE1-NE 3.38Å; E342-R376 IonicContact OE1-NH2 2.73Å; E342-R376 PolarHBondContact OE1-NH2 3.13Å
343	I	82.6	Confident	79.5	Confident	74 Å²	74	80.4 Å²	80.4	38%	0.379	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-46.7	-175.2	-66.6	173.8	0	0	0	111.3	L332 Q334 Y366	L332-I343 PolarHBondContact O-N 2.87Å; Q334-I343 HydrophobicContact CB-CD1 3.59Å; Q334-I343 HydrophobicContact CB-CG1 4.46Å; I343-Y366 HydrophobicContact CD1-CD1 4.13Å; I343-Y366 HydrophobicContact CD1-CE1 3.55Å
344	M	82.4	Confident	79.5	Confident	72 Å²	72	84.4 Å²	84.4	36%	0.355	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	146.8	179.1	57	-178.2	71.4	0	0	112.9	L332 L346 I353	L332-M344 HydrophobicContact CB-CG 4.1Å; L332-M344 HydrophobicContact CD2-CG 4.48Å; L332-M344 PolarHBondContact N-O 2.9Å; M344-L346 HydrophobicContact CG-CD2 4.34Å; M344-I353 HydrophobicContact CE-CG2 3.6Å; M344-I353 HydrophobicContact SD-CB 4.46Å; M344-I353 HydrophobicContact SD-CD1 3.85Å; M344-I353 HydrophobicContact SD-CG1 3.96Å; M344-I353 HydrophobicContact SD-CG2 3.71Å
345	S	83.4	Confident	79.5	Confident	67 Å²	67	83.3 Å²	83.3	47%	0.469	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.2	166	55.6	0	0	0	0	110.7	Y330	Y330-S345 WeakPolarHBondContact O-CA 3.29Å
346	L	82.3	Confident	79.7	Confident	6 Å²	6	85 Å²	85	3%	0.031	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	107	-174.7	-60.9	168.5	0	0	0	109.8	V320 I322 Y330 L332 M344 I353 V368	V320-L346 HydrophobicContact CG1-CD1 4.02Å; I322-L346 HydrophobicContact CD1-CB 3.46Å; I322-L346 VanDerWaalsContact CD1-CB 3.46Å; I322-L346 HydrophobicContact CD1-CD1 3.91Å; I322-L346 HydrophobicContact CD1-CG 4.32Å; Y330-L346 PolarHBondContact O-N 3.19Å; L332-L346 HydrophobicContact CB-CD1 4.16Å; L332-L346 HydrophobicContact CB-CD2 4.22Å; L332-L346 HydrophobicContact CB-CG 4.3Å; M344-L346 HydrophobicContact CG-CD2 4.34Å; L346-I353 HydrophobicContact CD2-CD1 3.51Å; L346-V368 HydrophobicContact CD1-CG1 3.92Å; L346-V368 HydrophobicContact CD1-CG2 4.23Å
347	T	77.5	Confident	79.8	Confident	76 Å²	76	89.7 Å²	89.7	47%	0.466	46%	0.46	S	S	.	.			trans	-105.2	-15.5	-170	53.5	0	0	0	0	113.9	P325	P325-T347 WeakPolarHBondContact CB-O 3.46Å
348	K	80.1	Confident	80.4	Confident	110 Å²	110	82.7 Å²	82.7	48%	0.478	42%	0.422	S	S	.	.	S	Bend	trans	-102.7	151.2	-177.5	-56.4	-174.5	-168.1	69.9	0	111.8	K350 E351	K348-K350 PolarHBondContact O-N 3.46Å; K348-E351 HydrophobicContact CB-CB 4.5Å; K348-E351 WeakPolarHBondContact CB-OE2 3.47Å; K348-E351 WeakPolarHBondContact CD-OE1 3.44Å; K348-E351 WeakPolarHBondContact CE-OE1 3.25Å; K348-E351 WeakPolarHBondContact CG-OE2 3.38Å; K348-E351 PolarHBondContact N-OE2 2.88Å; K348-E351 IonicContact NZ-OE1 3.4Å; K348-E351 PolarHBondContact NZ-OE1 2.95Å; K348-E351 IonicContact NZ-OE2 3.54Å
349	K	80.6	Confident	81.4	Confident	139 Å²	139	83.7 Å²	83.7	60%	0.604	42%	0.416	S	S	*	.	S	Bend	trans	-60.8	-29.7	174.7	-163	-176.2	-177.6	178.8	0	112.1	Q321 I322 P325	Q321-K349 WeakPolarHBondContact CA-O 3.36Å; Q321-K349 WeakPolarHBondContact CG-O 3.08Å; I322-K349 PolarHBondContact N-O 2.66Å; I322-K349 WeakPolarHBondContact O-CG 3.46Å; P325-K349 HydrophobicContact CG-CB 4.36Å
350	K	84.4	Confident	82	Confident	120 Å²	120	78.7 Å²	78.7	52%	0.522	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	129	173.8	-173.5	173	178.7	175.1	0	108.5	L319 V320 K348	L319-K350 HydrophobicContact CD1-CG 4.09Å; V320-K350 CarbonylContact O-C 3.58Å; V320-K350 WeakPolarHBondContact O-CA 3.12Å; K348-K350 PolarHBondContact O-N 3.46Å
351	E	85.3	Confident	82.1	Confident	32 Å²	32	83.7 Å²	83.7	15%	0.15	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.8	-169.5	-168.1	96.8	-114.5	0	0	108.8	V320 K348 I353	V320-E351 PolarHBondContact N-O 2.8Å; V320-E351 PolarHBondContact O-N 2.76Å; K348-E351 HydrophobicContact CB-CB 4.5Å; K348-E351 WeakPolarHBondContact CB-OE2 3.47Å; K348-E351 WeakPolarHBondContact CD-OE1 3.44Å; K348-E351 WeakPolarHBondContact CE-OE1 3.25Å; K348-E351 WeakPolarHBondContact CG-OE2 3.38Å; K348-E351 PolarHBondContact N-OE2 2.88Å; K348-E351 IonicContact NZ-OE1 3.4Å; K348-E351 PolarHBondContact NZ-OE1 2.95Å; K348-E351 IonicContact NZ-OE2 3.54Å; E351-I353 HydrophobicContact CB-CG1 4.45Å; E351-I353 HydrophobicContact CG-CD1 4.14Å; E351-I353 HydrophobicContact CG-CG1 3.78Å
352	K	85.5	Confident	82.1	Confident	124 Å²	124	82.4 Å²	82.4	54%	0.539	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.2	172.4	171.7	170.9	171.6	147.9	0	108.2	E309 S317 L318 L319	E309-K352 IonicContact OE1-NZ 2.68Å; E309-K352 PolarHBondContact OE1-NZ 2.84Å; E309-K352 VanDerWaalsContact OE2-CD 3.27Å; E309-K352 WeakPolarHBondContact OE2-CD 2.98Å; E309-K352 WeakPolarHBondContact OE2-CE 3.27Å; E309-K352 IonicContact OE2-NZ 3.52Å; E309-K352 PolarHBondContact OE2-NZ 2.99Å; S317-K352 WeakPolarHBondContact OG-CE 3.37Å; L318-K352 WeakPolarHBondContact O-CA 3.33Å; L319-K352 HydrophobicContact CD1-CB 4.36Å
353	I	86.3	Confident	82.2	Confident	3 Å²	3	82.3 Å²	82.3	2%	0.015	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.6	-166.4	-58.4	173.1	0	0	0	108.1	L318 V320 L332 M344 L346 E351 I355	L318-I353 HydrophobicContact CB-CB 4.43Å; L318-I353 PolarHBondContact N-O 2.89Å; L318-I353 PolarHBondContact O-N 2.95Å; V320-I353 HydrophobicContact CB-CD1 4.41Å; V320-I353 HydrophobicContact CG2-CD1 3.77Å; L332-I353 HydrophobicContact CD2-CD1 3.89Å; L332-I353 HydrophobicContact CD2-CG2 4.11Å; M344-I353 HydrophobicContact CE-CG2 3.6Å; M344-I353 HydrophobicContact SD-CB 4.46Å; M344-I353 HydrophobicContact SD-CD1 3.85Å; M344-I353 HydrophobicContact SD-CG1 3.96Å; M344-I353 HydrophobicContact SD-CG2 3.71Å; L346-I353 HydrophobicContact CD2-CD1 3.51Å; E351-I353 HydrophobicContact CB-CG1 4.45Å; E351-I353 HydrophobicContact CG-CD1 4.14Å; E351-I353 HydrophobicContact CG-CG1 3.78Å; I353-I355 HydrophobicContact CG2-CG1 4.31Å
354	P	86.6	Confident	82.3	Confident	87 Å²	87	80.2 Å²	80.2	57%	0.565	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.5	168.3	31.5	-32.8	0	0	0	109.5
355	I	86.5	Confident	82.5	Confident	19 Å²	19	78.5 Å²	78.5	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.6	175.1	-54.7	171.2	0	0	0	107.1	T315 A316 L318 I353 L358 Y366	T315-I355 CarbonylContact C-O 3.22Å; T315-I355 WeakPolarHBondContact CA-O 3.4Å; T315-I355 WeakPolarHBondContact CB-O 3.5Å; A316-I355 PolarHBondContact N-O 3.07Å; A316-I355 PolarHBondContact O-N 3.22Å; L318-I355 HydrophobicContact CD1-CD1 3.52Å; L318-I355 HydrophobicContact CG-CD1 3.73Å; I353-I355 HydrophobicContact CG2-CG1 4.31Å; I355-L358 HydrophobicContact CG2-CD1 4.38Å; I355-L358 HydrophobicContact CG2-CD2 3.69Å; I355-L358 HydrophobicContact CG2-CG 4.1Å; I355-Y366 HydrophobicContact CD1-CD1 4.17Å; I355-Y366 HydrophobicContact CD1-CE1 3.68Å; I355-Y366 HydrophobicContact CD1-CE2 4.04Å
356	D	83.9	Confident	82.7	Confident	104 Å²	104	75.5 Å²	75.5	56%	0.556	37%	0.368	S	S	*	.			trans	-113.2	169.3	-178.1	-57.5	-52.4	0	0	0	111.4	T315 L358	T315-D356 HydrophobicContact CG2-CB 4.43Å; T315-D356 WeakPolarHBondContact CG2-OD1 3.14Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 2.72Å
357	K	80	Confident	82.8	Confident	203 Å²	203	75.3 Å²	75.3	88%	0.883	37%	0.367	S	S	*	.	S	Bend	trans	63.1	26.6	178.8	-48.3	177.4	-176.7	176.9	0	114.3	Y314	Y314-K357 PolarHBondContact O-N 2.76Å; Y314-K357 VanDerWaalsContact O-N 3.1Å
358	L	81.8	Confident	83.2	Confident	9 Å²	9	71.7 Å²	71.7	5%	0.047	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-66.3	148.2	169.6	-59	179.2	0	0	0	110.3	Y314 A316 I355 D356 Y364 F384 T386	Y314-L358 WeakPolarHBondContact CA-O 3.4Å; Y314-L358 PolarHBondContact O-N 2.95Å; A316-L358 HydrophobicContact CB-CD1 3.73Å; I355-L358 HydrophobicContact CG2-CD1 4.38Å; I355-L358 HydrophobicContact CG2-CD2 3.69Å; I355-L358 HydrophobicContact CG2-CG 4.1Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 2.72Å; L358-Y364 HydrophobicContact CB-CE2 3.93Å; L358-Y364 HydrophobicContact CD2-CD2 4Å; L358-Y364 HydrophobicContact CD2-CE1 4.29Å; L358-Y364 HydrophobicContact CD2-CE2 3.74Å; L358-Y364 HydrophobicContact CD2-CG 4.37Å; L358-Y364 HydrophobicContact CG-CE2 4.31Å; L358-F384 HydrophobicContact CD1-CE2 3.94Å; L358-F384 HydrophobicContact CD1-CZ 4.14Å; L358-T386 HydrophobicContact CB-CG2 3.78Å; L358-T386 HydrophobicContact CD1-CG2 3.9Å; L358-T386 HydrophobicContact CG-CG2 4.47Å
359	K	78.6	Confident	83.1	Confident	144 Å²	144	66.6 Å²	66.6	63%	0.626	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-83.3	138.7	171	-68.9	-178.8	179.2	-179.8	0	109.6	T362 Y364 T386	K359-T362 VanDerWaalsContact CB-OG1 3.31Å; K359-T362 WeakPolarHBondContact CB-OG1 3.31Å; K359-T362 WeakPolarHBondContact O-CB 3.35Å; K359-T362 PolarHBondContact O-OG1 2.87Å; K359-Y364 PolarHBondContact N-OH 2.58Å; K359-T386 WeakPolarHBondContact O-CG2 3.45Å; K359-T386 PolarHBondContact O-OG1 2.78Å
360	P	76.6	Confident	83	Confident	46 Å²	46	60.1 Å²	60.1	30%	0.299	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	157.4	175.9	28.8	-35	0	0	0	111.3	Y314 T362 T386 V389	Y314-P360 HydrophobicContact CE1-CG 4.09Å; P360-T362 PolarHBondContact O-N 2.75Å; P360-T362 PolarHBondContact O-OG1 2.83Å; P360-T386 VanDerWaalsContact C-OG1 3.26Å; P360-T386 WeakPolarHBondContact CA-OG1 3.41Å; P360-V389 HydrophobicContact CB-CG2 4.33Å
361	H	77.7	Confident	81.7	Confident	151 Å²	151	56 Å²	56	70%	0.699	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	23.2	-174.4	-159.5	68.7	0	0	0	115.9	T386 R387	H361-T386 PolarHBondContact N-OG1 3.17Å; H361-R387 PolarHBondContact N-O 3.13Å
362	T	79.6	Confident	80.2	Confident	45 Å²	45	57.6 Å²	57.6	28%	0.276	30%	0.302	S	S	.	.			trans	-102	140.9	178.7	-56.6	0	0	0	0	110.7	K359 P360 Y364 T385 T386	K359-T362 VanDerWaalsContact CB-OG1 3.31Å; K359-T362 WeakPolarHBondContact CB-OG1 3.31Å; K359-T362 WeakPolarHBondContact O-CB 3.35Å; K359-T362 PolarHBondContact O-OG1 2.87Å; P360-T362 PolarHBondContact O-N 2.75Å; P360-T362 PolarHBondContact O-OG1 2.83Å; T362-Y364 HydrophobicContact CG2-CD1 4.48Å; T362-Y364 HydrophobicContact CG2-CD2 4.16Å; T362-Y364 HydrophobicContact CG2-CE1 3.99Å; T362-Y364 HydrophobicContact CG2-CE2 3.61Å; T362-T385 WeakPolarHBondContact O-CA 3.47Å; T362-T386 PolarHBondContact N-OG1 3.47Å; T362-T386 PolarHBondContact O-N 3.1Å; T362-T386 PolarHBondContact O-OG1 3.37Å
363	N	84.1	Confident	78.5	Confident	98 Å²	98	60.8 Å²	60.8	52%	0.524	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.8	172.1	-171.3	16.5	0	0	0	109.6	F384 T385	N363-F384 PolarHBondContact OD1-O 3.17Å; N363-T385 HydrophobicContact CB-CG2 3.74Å
364	Y	85.6	Confident	76.5	Confident	30 Å²	30	66.9 Å²	66.9	12%	0.118	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.8	179.5	-67.4	-79.1	0	0	0	111.1	Q334 L358 K359 T362 Y366 S383 F384 T386	Q334-Y364 VanDerWaalsContact NE2-CD1 3.34Å; L358-Y364 HydrophobicContact CB-CE2 3.93Å; L358-Y364 HydrophobicContact CD2-CD2 4Å; L358-Y364 HydrophobicContact CD2-CE1 4.29Å; L358-Y364 HydrophobicContact CD2-CE2 3.74Å; L358-Y364 HydrophobicContact CD2-CG 4.37Å; L358-Y364 HydrophobicContact CG-CE2 4.31Å; K359-Y364 PolarHBondContact N-OH 2.58Å; T362-Y364 HydrophobicContact CG2-CD1 4.48Å; T362-Y364 HydrophobicContact CG2-CD2 4.16Å; T362-Y364 HydrophobicContact CG2-CE1 3.99Å; T362-Y364 HydrophobicContact CG2-CE2 3.61Å; Y364-Y366 HydrophobicContact CG-CE2 4.42Å; Y364-S383 CarbonylContact O-C 3.51Å; Y364-S383 VanDerWaalsContact O-CA 3.29Å; Y364-S383 WeakPolarHBondContact O-CA 3.42Å; Y364-F384 PolarHBondContact N-O 2.88Å; Y364-F384 PolarHBondContact O-N 3.49Å; Y364-T386 HydrophobicContact CD2-CG2 4.25Å; Y364-T386 HydrophobicContact CE2-CG2 4.02Å
365	T	86.1	Confident	74.5	Confident	36 Å²	36	68 Å²	68	22%	0.221	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.4	176.4	-60.2	0	0	0	0	110.5	Q334 Y335 C381 S383	Q334-T365 WeakPolarHBondContact CA-O 3.36Å; Y335-T365 PolarHBondContact N-O 2.91Å; T365-C381 HydrophobicContact CG2-CB 4.41Å; T365-S383 PolarHBondContact OG1-OG 2.93Å
366	Y	87.3	Confident	72.9	Confident	3 Å²	3	74.5 Å²	74.5	1%	0.012	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.3	176.8	-69	-93.6	0	0	0	110	L318 L332 S333 Q334 I343 I355 Y364 C381 L382 F384	L318-Y366 HydrophobicContact CD1-CD1 4.22Å; L318-Y366 HydrophobicContact CD1-CD2 4.12Å; L318-Y366 HydrophobicContact CD1-CG 3.81Å; L332-Y366 HydrophobicContact CD2-CD1 4.29Å; L332-Y366 HydrophobicContact CG-CD1 4.36Å; S333-Y366 WeakPolarHBondContact O-CA 3.41Å; Q334-Y366 HydrophobicContact CB-CD1 4.07Å; Q334-Y366 HydrophobicContact CB-CE1 3.8Å; Q334-Y366 HydrophobicContact CG-CE1 4.23Å; Q334-Y366 PolarHBondContact NE2-OH 2.83Å; I343-Y366 HydrophobicContact CD1-CD1 4.13Å; I343-Y366 HydrophobicContact CD1-CE1 3.55Å; I355-Y366 HydrophobicContact CD1-CD1 4.17Å; I355-Y366 HydrophobicContact CD1-CE1 3.68Å; I355-Y366 HydrophobicContact CD1-CE2 4.04Å; Y364-Y366 HydrophobicContact CG-CE2 4.42Å; Y366-C381 CarbonylContact O-C 3.12Å; Y366-C381 WeakPolarHBondContact O-CA 3.48Å; Y366-L382 PolarHBondContact N-O 2.93Å; Y366-L382 PolarHBondContact O-N 3.19Å; Y366-F384 HydrophobicContact CD2-CD1 4.28Å; Y366-F384 AromaticContact CD2-CE1 3.48Å; Y366-F384 HydrophobicContact CD2-CE1 3.48Å; Y366-F384 VanDerWaalsContact CD2-CE1 3.48Å; Y366-F384 HydrophobicContact CD2-CZ 4.18Å; Y366-F384 AromaticContact CE2-CE1 3.49Å; Y366-F384 HydrophobicContact CE2-CE1 3.49Å; Y366-F384 VanDerWaalsContact CE2-CE1 3.49Å; Y366-F384 AromaticContact CE2-CZ 3.7Å; Y366-F384 HydrophobicContact CE2-CZ 3.7Å
367	C	84.9	Confident	71.6	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.02	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.7	-178.3	-64.8	0	0	0	0	111.3	S333 Y335 T380 C381	S333-C367 PolarHBondContact N-O 2.86Å; S333-C367 PolarHBondContact O-N 3.37Å; Y335-C367 HydrophobicContact CD2-CB 3.9Å; Y335-C367 VanDerWaalsContact CD2-SG 3.58Å; Y335-C367 HydrophobicContact CE2-CB 3.8Å; C367-T380 WeakPolarHBondContact CA-O 3.32Å; C367-C381 HydrophobicContact CB-CB 4.13Å; C367-C381 WeakPolarHBondContact CB-SG 3.41Å; C367-C381 WeakPolarHBondContact SG-CB 3.48Å; C367-C381 CovalentContact SG-SG 2.04Å; C367-C381 PolarHBondContact SG-SG 3.26Å
368	V	84.8	Confident	70.7	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	107.7	166.7	-176.3	0	0	0	0	108.1	I304 I306 V320 Y330 L332 L346 H379 T380	I304-V368 HydrophobicContact CG2-CB 4.1Å; I304-V368 HydrophobicContact CG2-CG1 3.86Å; I304-V368 HydrophobicContact CG2-CG2 4.43Å; I306-V368 HydrophobicContact CB-CG2 4.29Å; I306-V368 HydrophobicContact CD1-CG2 4.1Å; V320-V368 HydrophobicContact CG1-CG2 3.78Å; Y330-V368 HydrophobicContact CD1-CG1 4.19Å; L332-V368 HydrophobicContact CD1-CG2 4.41Å; L346-V368 HydrophobicContact CD1-CG1 3.92Å; L346-V368 HydrophobicContact CD1-CG2 4.23Å; V368-H379 PolarHBondContact O-N 3Å; V368-T380 PolarHBondContact N-O 3.21Å
369	A	79.8	Confident	69.9	Low	3 Å²	3	72.2 Å²	72.2	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	152.7	174.3	0	0	0	0	0	110.6	Y330 I331 Y377	Y330-A369 WeakPolarHBondContact CA-O 3.35Å; I331-A369 PolarHBondContact N-O 3.41Å; I331-A369 PolarHBondContact O-N 3.04Å; A369-Y377 WeakPolarHBondContact CA-O 3.37Å
370	S	77.2	Confident	69.8	Low	3 Å²	3	67 Å²	67	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.7	161.3	75.7	0	0	0	0	110.4	M329 Y377 H379	M329-S370 WeakPolarHBondContact O-CA 3.48Å; S370-Y377 PolarHBondContact N-O 2.95Å; S370-Y377 PolarHBondContact O-N 3.38Å; S370-H379 VanDerWaalsContact CB-NE2 3.32Å; S370-H379 WeakPolarHBondContact CB-NE2 3.22Å; S370-H379 PolarHBondContact OG-NE2 2.91Å
371	G	57.4	Low	70.1	Confident	32 Å²	32	68 Å²	68	33%	0.33	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.7	173.1	0	0	0	0	0	112.4	M329	M329-G371 PolarHBondContact O-N 2.82Å
372	S	54.9	Low	70.5	Confident	67 Å²	67	62.4 Å²	62.4	47%	0.469	32%	0.324	S	S	.	.			trans	-115.1	164	142.3	76.2	0	0	0	0	108	T374 Q375	S372-T374 PolarHBondContact O-N 2.81Å; S372-Q375 PolarHBondContact N-O 3.45Å; S372-Q375 PolarHBondContact OG-O 2.69Å
373	K	48.9	Very low	70.7	Confident	190 Å²	190	63.7 Å²	63.7	83%	0.826	33%	0.334	S	S	*	.	S	Bend	trans	-62	-7.8	-168.1	-73.5	-167.9	173.9	-172.7	0	116
374	T	44.3	Very low	70.7	Confident	132 Å²	132	59.4 Å²	59.4	81%	0.81	31%	0.311	S	S	*	.	S	Bend	trans	-134	-14	-178.7	49.7	0	0	0	0	115.8	S372	S372-T374 PolarHBondContact O-N 2.81Å
375	Q	43.8	Very low	70.6	Confident	110 Å²	110	62.4 Å²	62.4	51%	0.514	33%	0.333	S	S	.	.			trans	-142.6	130.8	176.4	-66.5	-170.1	-2.2	0	0	111.9	S372 Y377	S372-Q375 PolarHBondContact N-O 3.45Å; S372-Q375 PolarHBondContact OG-O 2.69Å; Q375-Y377 HydrophobicContact CB-CE1 4.33Å; Q375-Y377 HydrophobicContact CB-CE2 4.15Å; Q375-Y377 PolarHBondContact OE1-OH 2.98Å
376	R	54.6	Low	70.4	Confident	155 Å²	155	60.9 Å²	60.9	59%	0.585	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.2	167.8	-71.1	-170	-179.8	104	-4.8	108.8	E342	E342-R376 IonicContact OE1-CZ 3.38Å; E342-R376 IonicContact OE1-NE 3.7Å; E342-R376 PolarHBondContact OE1-NE 3.38Å; E342-R376 IonicContact OE1-NH2 2.73Å; E342-R376 PolarHBondContact OE1-NH2 3.13Å
377	Y	55.6	Low	69.8	Low	119 Å²	119	68.5 Å²	68.5	47%	0.467	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.4	169.9	-58.4	-71.3	0	0	0	109.6	A369 S370 Q375 H379	A369-Y377 WeakPolarHBondContact CA-O 3.37Å; S370-Y377 PolarHBondContact N-O 2.95Å; S370-Y377 PolarHBondContact O-N 3.38Å; Q375-Y377 HydrophobicContact CB-CE1 4.33Å; Q375-Y377 HydrophobicContact CB-CE2 4.15Å; Q375-Y377 PolarHBondContact OE1-OH 2.98Å; Y377-H379 PolarHBondContact O-CD2 3.41Å; Y377-H379 PolarHBondContact O-NE2 2.92Å
378	N	61	Low	68.7	Low	75 Å²	75	70.9 Å²	70.9	40%	0.401	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.4	173.4	-72.3	-7.4	0	0	0	109	Y335	Y335-N378 PolarHBondContact OH-ND2 2.81Å; Y335-N378 PolarHBondContact OH-OD1 3.2Å
379	H	64.5	Low	67.5	Low	75 Å²	75	74.9 Å²	74.9	35%	0.347	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-33.6	-175.7	-67.5	-85.8	0	0	0	113.1	I304 V368 S370 Y377	I304-H379 HydrophobicContact CB-CB 4.34Å; I304-H379 HydrophobicContact CD1-CB 3.5Å; I304-H379 VanDerWaalsContact CD1-CG 3.47Å; V368-H379 PolarHBondContact O-N 3Å; S370-H379 VanDerWaalsContact CB-NE2 3.32Å; S370-H379 WeakPolarHBondContact CB-NE2 3.22Å; S370-H379 PolarHBondContact OG-NE2 2.91Å; Y377-H379 PolarHBondContact O-CD2 3.41Å; Y377-H379 PolarHBondContact O-NE2 2.92Å
380	T	78.1	Confident	66.7	Low	34 Å²	34	75.7 Å²	75.7	21%	0.209	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	134.6	179.4	-35.1	0	0	0	0	109.3	I304 I306 C367 V368	I304-T380 PolarHBondContact O-OG1 3.15Å; I306-T380 HydrophobicContact CG2-CG2 3.68Å; C367-T380 WeakPolarHBondContact CA-O 3.32Å; V368-T380 PolarHBondContact N-O 3.21Å
381	C	82.3	Confident	65.4	Low	66 Å²	66	81.3 Å²	81.3	45%	0.446	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.3	174.3	-62.2	0	0	0	0	110.3	T365 Y366 C367	T365-C381 HydrophobicContact CG2-CB 4.41Å; Y366-C381 CarbonylContact O-C 3.12Å; Y366-C381 WeakPolarHBondContact O-CA 3.48Å; C367-C381 HydrophobicContact CB-CB 4.13Å; C367-C381 WeakPolarHBondContact CB-SG 3.41Å; C367-C381 WeakPolarHBondContact SG-CB 3.48Å; C367-C381 CovalentContact SG-SG 2.04Å; C367-C381 PolarHBondContact SG-SG 3.26Å
382	L	85.9	Confident	65.1	Low	35 Å²	35	87.9 Å²	87.9	18%	0.183	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.3	177.5	174.1	68	0	0	0	108.4	I306 L308 L318 Y366	I306-L382 HydrophobicContact CD1-CB 4.23Å; I306-L382 HydrophobicContact CG1-CB 4.1Å; I306-L382 HydrophobicContact CG1-CD2 3.91Å; I306-L382 HydrophobicContact CG2-CB 4Å; L308-L382 HydrophobicContact CB-CD2 4.1Å; L318-L382 HydrophobicContact CD2-CD2 3.75Å; Y366-L382 PolarHBondContact N-O 2.93Å; Y366-L382 PolarHBondContact O-N 3.19Å
383	S	83.3	Confident	64.8	Low	71 Å²	71	88 Å²	88	50%	0.497	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.7	172.3	-52.3	0	0	0	0	110	Y364 T365	Y364-S383 CarbonylContact O-C 3.51Å; Y364-S383 VanDerWaalsContact O-CA 3.29Å; Y364-S383 WeakPolarHBondContact O-CA 3.42Å; T365-S383 PolarHBondContact OG1-OG 2.93Å
384	F	84.4	Confident	64.9	Low	9 Å²	9	86.1 Å²	86.1	4%	0.039	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.8	175	68.9	-93.3	0	0	0	111.9	L308 V311 A316 L318 L358 N363 Y364 Y366	L308-F384 HydrophobicContact CD1-CB 4.07Å; L308-F384 HydrophobicContact CD1-CD1 3.7Å; L308-F384 HydrophobicContact CD1-CD2 4.2Å; L308-F384 HydrophobicContact CD1-CE1 4.14Å; L308-F384 HydrophobicContact CD1-CG 3.73Å; L308-F384 HydrophobicContact CD2-CB 3.72Å; L308-F384 HydrophobicContact CD2-CG 4.28Å; V311-F384 HydrophobicContact CG1-CD2 4.34Å; V311-F384 HydrophobicContact CG2-CD2 3.73Å; V311-F384 HydrophobicContact CG2-CE2 4.14Å; V311-F384 HydrophobicContact CG2-CG 4.36Å; A316-F384 HydrophobicContact CB-CE2 3.52Å; A316-F384 HydrophobicContact CB-CZ 3.51Å; L318-F384 HydrophobicContact CD1-CE1 4.42Å; L318-F384 HydrophobicContact CD2-CD1 4.3Å; L318-F384 HydrophobicContact CD2-CE1 3.9Å; L358-F384 HydrophobicContact CD1-CE2 3.94Å; L358-F384 HydrophobicContact CD1-CZ 4.14Å; N363-F384 PolarHBondContact OD1-O 3.17Å; Y364-F384 PolarHBondContact N-O 2.88Å; Y364-F384 PolarHBondContact O-N 3.49Å; Y366-F384 HydrophobicContact CD2-CD1 4.28Å; Y366-F384 AromaticContact CD2-CE1 3.48Å; Y366-F384 HydrophobicContact CD2-CE1 3.48Å; Y366-F384 VanDerWaalsContact CD2-CE1 3.48Å; Y366-F384 HydrophobicContact CD2-CZ 4.18Å; Y366-F384 AromaticContact CE2-CE1 3.49Å; Y366-F384 HydrophobicContact CE2-CE1 3.49Å; Y366-F384 VanDerWaalsContact CE2-CE1 3.49Å; Y366-F384 AromaticContact CE2-CZ 3.7Å; Y366-F384 HydrophobicContact CE2-CZ 3.7Å
385	T	82.8	Confident	65.3	Low	93 Å²	93	91 Å²	91	57%	0.571	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	133.4	174.7	42.9	0	0	0	0	111.1	T362 N363	T362-T385 WeakPolarHBondContact O-CA 3.47Å; N363-T385 HydrophobicContact CB-CG2 3.74Å
386	T	83.1	Confident	65.3	Low	4 Å²	4	90.8 Å²	90.8	3%	0.025	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-64.6	150.3	168.6	52.3	0	0	0	0	111.2	L358 K359 P360 H361 T362 Y364	L358-T386 HydrophobicContact CB-CG2 3.78Å; L358-T386 HydrophobicContact CD1-CG2 3.9Å; L358-T386 HydrophobicContact CG-CG2 4.47Å; K359-T386 WeakPolarHBondContact O-CG2 3.45Å; K359-T386 PolarHBondContact O-OG1 2.78Å; P360-T386 VanDerWaalsContact C-OG1 3.26Å; P360-T386 WeakPolarHBondContact CA-OG1 3.41Å; H361-T386 PolarHBondContact N-OG1 3.17Å; T362-T386 PolarHBondContact N-OG1 3.47Å; T362-T386 PolarHBondContact O-N 3.1Å; T362-T386 PolarHBondContact O-OG1 3.37Å; Y364-T386 HydrophobicContact CD2-CG2 4.25Å; Y364-T386 HydrophobicContact CE2-CG2 4.02Å
387	R	74.8	Confident	64.9	Low	162 Å²	162	91.2 Å²	91.2	61%	0.611	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-59.1	148.3	178.1	-167	-180	170.3	174.3	-4.2	111.3	S312 L313 H361	S312-R387 PolarHBondContact O-N 2.96Å; L313-R387 HydrophobicContact CD2-CB 4.12Å; L313-R387 HydrophobicContact CD2-CG 4.4Å; H361-R387 PolarHBondContact N-O 3.13Å
388	A	62.2	Low	64.5	Low	54 Å²	54	90.9 Å²	90.9	45%	0.446	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-79.7	147.3	168.3	0	0	0	0	0	110.8	G390	A388-G390 PolarHBondContact O-N 3.22Å
389	V	59	Low	64.2	Low	84 Å²	84	90.9 Å²	90.9	51%	0.509	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.6	125.8	178.1	-179.1	0	0	0	0	109.9	L313 P360 D393	L313-V389 HydrophobicContact CD2-CG2 4.23Å; P360-V389 HydrophobicContact CB-CG2 4.33Å; V389-D393 HydrophobicContact CG1-CB 4.3Å
390	G	62	Low	64	Low	19 Å²	19	92 Å²	92	20%	0.196	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-90.9	161	174.6	0	0	0	0	0	112.5	A388 E392 D393	A388-G390 PolarHBondContact O-N 3.22Å; G390-E392 PolarHBondContact O-N 3.27Å; G390-E392 VanDerWaalsContact O-N 3.17Å; G390-D393 WeakPolarHBondContact CA-OD2 3.36Å; G390-D393 PolarHBondContact N-OD2 3.45Å; G390-D393 PolarHBondContact O-N 3.37Å
391	P	50.1	Low	62.9	Low	121 Å²	121	94.5 Å²	94.5	79%	0.786	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-57.9	-26.7	174.5	-25.5	35.4	0	0	0	114.2
392	E	51.7	Low	61.8	Low	171 Å²	171	94.9 Å²	94.9	80%	0.799	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-75.8	-23.5	-179.7	-60.4	-60.7	138.5	0	0	113.8	G390 L394	G390-E392 PolarHBondContact O-N 3.27Å; G390-E392 VanDerWaalsContact O-N 3.17Å; E392-L394 PolarHBondContact O-N 3.31Å
393	D	48.8	Very low	60.5	Low	69 Å²	69	100 Å²	100	37%	0.369	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-75.2	-6.5	-173.7	-62.6	-57.3	0	0	0	112.9	L313 V389 G390 R395	L313-D393 HydrophobicContact CD1-CB 4.27Å; V389-D393 HydrophobicContact CG1-CB 4.3Å; G390-D393 WeakPolarHBondContact CA-OD2 3.36Å; G390-D393 PolarHBondContact N-OD2 3.45Å; G390-D393 PolarHBondContact O-N 3.37Å; D393-R395 VanDerWaalsContact C-N 3.3Å; D393-R395 PolarHBondContact O-N 3.03Å
394	L	50.6	Low	59.5	Low	151 Å²	151	104.1 Å²	104.1	79%	0.791	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-81.6	6.2	-172.9	-108.9	162.4	0	0	0	115.2	E392	E392-L394 PolarHBondContact O-N 3.31Å
395	R	52.2	Low	58.8	Low	235 Å²	235	108 Å²	108	89%	0.887	58%	0.58	S	S	*	*			trans	-129.7	62.3	-169	-158.5	177.5	-176.8	176.8	1.5	115.3	D393	D393-R395 VanDerWaalsContact C-N 3.3Å; D393-R395 PolarHBondContact O-N 3.03Å
396	S	44.3	Very low	58.2	Low	105 Å²	105	109.6 Å²	109.6	73%	0.734	58%	0.583	S	S	*	*			trans	-147.9	45.6	168	56.4	0	0	0	0	115.1	P398	S396-P398 WeakPolarHBondContact O-CD 3.46Å
397	N	45.9	Very low	57.9	Low	163 Å²	163	112.6 Å²	112.6	87%	0.872	60%	0.601	S	S	*	*			trans	-69.2	114.7	164.5	-78.7	-17.1	0	0	0	110.2
398	P	47.6	Very low	58.2	Low	113 Å²	113	109.8 Å²	109.8	73%	0.734	60%	0.597	S	S	*	*			trans	-66.1	136.3	166.8	29.3	-33.4	0	0	0	109	S396 T400	S396-P398 WeakPolarHBondContact O-CD 3.46Å; P398-T400 PolarHBondContact O-N 3.32Å
399	S	54.8	Low	59.2	Low	74 Å²	74	112 Å²	112	52%	0.517	60%	0.6	S	S	.	*			trans	-63.9	110.4	-173.9	50.5	0	0	0	0	111.9	T401 T402	S399-T401 PolarHBondContact O-N 3.16Å; S399-T401 VanDerWaalsContact O-N 3.09Å; S399-T402 PolarHBondContact O-N 3.39Å; S399-T402 PolarHBondContact O-OG1 3.44Å; S399-T402 PolarHBondContact OG-OG1 3.28Å
400	T	59.7	Low	60.4	Low	99 Å²	99	110.1 Å²	110.1	61%	0.607	60%	0.599	S	S	*	*	H	α-helix	trans	-52.3	-32.4	179	47.3	0	0	0	0	113.1	P398 T402 H403 Y404	P398-T400 PolarHBondContact O-N 3.32Å; T400-T402 PolarHBondContact O-N 3.36Å; T400-T402 VanDerWaalsContact O-N 3.15Å; T400-H403 WeakPolarHBondContact O-CB 3.48Å; T400-H403 PolarHBondContact O-N 3.15Å; T400-Y404 VanDerWaalsContact O-CD2 3.29Å; T400-Y404 WeakPolarHBondContact O-CD2 3.46Å; T400-Y404 PolarHBondContact O-N 3.44Å; T400-Y404 VanDerWaalsContact O-N 3.13Å
401	T	55.1	Low	61.1	Low	87 Å²	87	113 Å²	113	53%	0.534	62%	0.615	S	S	.	*	H	α-helix	trans	-44.7	-43	172	-37.2	0	0	0	0	113	S399 H403 Y404 I405	S399-T401 PolarHBondContact O-N 3.16Å; S399-T401 VanDerWaalsContact O-N 3.09Å; T401-H403 PolarHBondContact O-N 3.48Å; T401-Y404 PolarHBondContact O-N 3.1Å; T401-I405 HydrophobicContact CG2-CD1 4.06Å; T401-I405 WeakPolarHBondContact O-CG1 3.34Å; T401-I405 PolarHBondContact O-N 3.47Å
402	T	60.3	Low	62.6	Low	74 Å²	74	112.4 Å²	112.4	45%	0.454	60%	0.604	S	S	.	*	H	α-helix	trans	-69.3	-35.2	-176.8	-34.9	0	0	0	0	111.7	S399 T400 M406	S399-T402 PolarHBondContact O-N 3.39Å; S399-T402 PolarHBondContact O-OG1 3.44Å; S399-T402 PolarHBondContact OG-OG1 3.28Å; T400-T402 PolarHBondContact O-N 3.36Å; T400-T402 VanDerWaalsContact O-N 3.15Å; T402-M406 VanDerWaalsContact O-CG 3.3Å; T402-M406 WeakPolarHBondContact O-CG 3.48Å; T402-M406 PolarHBondContact O-N 3.31Å
403	H	57.5	Low	64.1	Low	141 Å²	141	111 Å²	111	65%	0.653	60%	0.596	S	S	*	*	H	α-helix	trans	-69.8	-42.4	176.1	-163.1	-71.9	0	0	0	111.3	T400 T401 M406 T407	T400-H403 WeakPolarHBondContact O-CB 3.48Å; T400-H403 PolarHBondContact O-N 3.15Å; T401-H403 PolarHBondContact O-N 3.48Å; H403-M406 PolarHBondContact O-N 3.12Å; H403-T407 PolarHBondContact ND1-OG1 3.02Å; H403-T407 WeakPolarHBondContact O-CB 3.5Å; H403-T407 PolarHBondContact O-N 3.3Å; H403-T407 PolarHBondContact O-OG1 3.13Å
404	Y	61.9	Low	65.9	Low	159 Å²	159	109.2 Å²	109.2	62%	0.624	59%	0.594	S	S	*	*	H	α-helix	trans	-61.7	-46.2	175.8	-75	-65.8	0	0	0	112.5	T400 T401 M406 T407 I408	T400-Y404 VanDerWaalsContact O-CD2 3.29Å; T400-Y404 WeakPolarHBondContact O-CD2 3.46Å; T400-Y404 PolarHBondContact O-N 3.44Å; T400-Y404 VanDerWaalsContact O-N 3.13Å; T401-Y404 PolarHBondContact O-N 3.1Å; Y404-M406 PolarHBondContact O-N 3.1Å; Y404-T407 PolarHBondContact O-N 3.37Å; Y404-I408 VanDerWaalsContact O-CG1 3.28Å; Y404-I408 WeakPolarHBondContact O-CG1 3.45Å; Y404-I408 PolarHBondContact O-N 3.29Å
405	I	71.5	Confident	67.6	Low	90 Å²	90	107.7 Å²	107.7	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-59.9	-46.1	177.6	-68.6	166.2	0	0	0	110.9	T401 T407 I408 L409	T401-I405 HydrophobicContact CG2-CD1 4.06Å; T401-I405 WeakPolarHBondContact O-CG1 3.34Å; T401-I405 PolarHBondContact O-N 3.47Å; I405-T407 VanDerWaalsContact C-N 3.34Å; I405-T407 PolarHBondContact O-N 3.49Å; I405-I408 PolarHBondContact O-N 2.99Å; I405-L409 HydrophobicContact CG2-CD1 3.96Å; I405-L409 WeakPolarHBondContact O-CG 3.43Å; I405-L409 PolarHBondContact O-N 3.39Å
406	M	68.6	Low	69.3	Low	127 Å²	127	101.2 Å²	101.2	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-65.4	-35.8	178.1	-68.8	-65.8	172.6	0	0	112.8	T402 H403 Y404 G410	T402-M406 VanDerWaalsContact O-CG 3.3Å; T402-M406 WeakPolarHBondContact O-CG 3.48Å; T402-M406 PolarHBondContact O-N 3.31Å; H403-M406 PolarHBondContact O-N 3.12Å; Y404-M406 PolarHBondContact O-N 3.1Å; M406-G410 PolarHBondContact O-N 3.04Å
407	T	77.4	Confident	71.3	Confident	67 Å²	67	101 Å²	101	41%	0.411	56%	0.56	S	S	.	*	H	α-helix	trans	-67.4	-44.2	175.9	-53.6	0	0	0	0	111.1	H403 Y404 I405 G410 C411	H403-T407 PolarHBondContact ND1-OG1 3.02Å; H403-T407 WeakPolarHBondContact O-CB 3.5Å; H403-T407 PolarHBondContact O-N 3.3Å; H403-T407 PolarHBondContact O-OG1 3.13Å; Y404-T407 PolarHBondContact O-N 3.37Å; I405-T407 VanDerWaalsContact C-N 3.34Å; I405-T407 PolarHBondContact O-N 3.49Å; T407-G410 PolarHBondContact O-N 3.16Å; T407-C411 PolarHBondContact O-N 3.19Å; T407-C411 PolarHBondContact O-SG 3.41Å
408	I	80.4	Confident	73.1	Confident	103 Å²	103	97.3 Å²	97.3	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-62.8	-45.1	177.7	-68.8	163.4	0	0	0	111	Y404 I405 G410 C411 L412	Y404-I408 VanDerWaalsContact O-CG1 3.28Å; Y404-I408 WeakPolarHBondContact O-CG1 3.45Å; Y404-I408 PolarHBondContact O-N 3.29Å; I405-I408 PolarHBondContact O-N 2.99Å; I408-G410 VanDerWaalsContact C-N 3.34Å; I408-G410 PolarHBondContact O-N 3.36Å; I408-C411 PolarHBondContact O-N 3.38Å; I408-L412 HydrophobicContact CG2-CD1 3.98Å; I408-L412 WeakPolarHBondContact O-CG 3.39Å; I408-L412 PolarHBondContact O-N 3.11Å
409	L	83.4	Confident	74.8	Confident	99 Å²	99	97.2 Å²	97.2	52%	0.518	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-39.9	175.6	-70.1	171.4	0	0	0	112.1	I405 L412 F413	I405-L409 HydrophobicContact CG2-CD1 3.96Å; I405-L409 WeakPolarHBondContact O-CG 3.43Å; I405-L409 PolarHBondContact O-N 3.39Å; L409-L412 PolarHBondContact O-N 3.05Å; L409-F413 WeakPolarHBondContact O-CB 3.37Å; L409-F413 PolarHBondContact O-N 3.12Å
410	G	84	Confident	76.5	Confident	46 Å²	46	95.5 Å²	95.5	47%	0.474	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-46.1	174.1	0	0	0	0	0	112.9	M406 T407 I408 F413 G414	M406-G410 PolarHBondContact O-N 3.04Å; T407-G410 PolarHBondContact O-N 3.16Å; I408-G410 VanDerWaalsContact C-N 3.34Å; I408-G410 PolarHBondContact O-N 3.36Å; G410-F413 PolarHBondContact O-N 2.9Å; G410-G414 PolarHBondContact O-N 3.32Å
411	C	78.1	Confident	77.7	Confident	80 Å²	80	97.1 Å²	97.1	54%	0.541	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.7	-69	0	0	0	0	112.3	T407 I408 G414 M415	T407-C411 PolarHBondContact O-N 3.19Å; T407-C411 PolarHBondContact O-SG 3.41Å; I408-C411 PolarHBondContact O-N 3.38Å; C411-G414 PolarHBondContact O-N 3.5Å; C411-M415 WeakPolarHBondContact O-CG 3.36Å; C411-M415 PolarHBondContact O-N 2.97Å
412	L	80.8	Confident	79.3	Confident	107 Å²	107	96.3 Å²	96.3	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-62.8	-42.6	176.8	-72.3	170.1	0	0	0	111.9	I408 L409 M415 V416	I408-L412 HydrophobicContact CG2-CD1 3.98Å; I408-L412 WeakPolarHBondContact O-CG 3.39Å; I408-L412 PolarHBondContact O-N 3.11Å; L409-L412 PolarHBondContact O-N 3.05Å; L412-M415 PolarHBondContact O-N 3.19Å; L412-V416 WeakPolarHBondContact O-CG2 3.11Å; L412-V416 PolarHBondContact O-N 3.25Å; L412-V416 VanDerWaalsContact O-N 3.12Å
413	F	84.1	Confident	80.7	Confident	142 Å²	142	99.8 Å²	99.8	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-65	-40.8	175.9	-170.2	-111.6	0	0	0	112	L409 G410 V416 I417	L409-F413 WeakPolarHBondContact O-CB 3.37Å; L409-F413 PolarHBondContact O-N 3.12Å; G410-F413 PolarHBondContact O-N 2.9Å; F413-V416 PolarHBondContact O-N 3.3Å; F413-I417 HydrophobicContact CD1-CD1 3.83Å; F413-I417 HydrophobicContact CE1-CD1 3.56Å; F413-I417 HydrophobicContact CZ-CD1 4.1Å; F413-I417 WeakPolarHBondContact O-CG1 3.34Å; F413-I417 PolarHBondContact O-N 3.19Å; F413-I417 VanDerWaalsContact O-N 3.1Å
414	G	85.6	Confident	82.2	Confident	31 Å²	31	99.2 Å²	99.2	32%	0.32	52%	0.523	S	S	.	.	H	α-helix	trans	-59.2	-45.6	172.9	0	0	0	0	0	112.9	G410 C411 V416 I417 V418	G410-G414 PolarHBondContact O-N 3.32Å; C411-G414 PolarHBondContact O-N 3.5Å; G414-V416 VanDerWaalsContact C-N 3.34Å; G414-V416 PolarHBondContact O-N 2.83Å; G414-I417 PolarHBondContact O-N 3.16Å; G414-V418 WeakPolarHBondContact O-CG2 3.5Å; G414-V418 PolarHBondContact O-N 2.65Å
415	M	86.8	Confident	83.2	Confident	119 Å²	119	94.1 Å²	94.1	59%	0.586	51%	0.51	S	S	*	.	H	α-helix	trans	-60.1	-41.3	176.6	-72.7	-69.3	-76.7	0	0	112.3	C411 L412 I417 V418 L419	C411-M415 WeakPolarHBondContact O-CG 3.36Å; C411-M415 PolarHBondContact O-N 2.97Å; L412-M415 PolarHBondContact O-N 3.19Å; M415-I417 PolarHBondContact O-N 3.46Å; M415-V418 PolarHBondContact O-N 3.15Å; M415-L419 WeakPolarHBondContact O-CB 3.33Å; M415-L419 VanDerWaalsContact O-CG 3.28Å; M415-L419 WeakPolarHBondContact O-CG 3.5Å; M415-L419 PolarHBondContact O-N 3.25Å
416	V	86.9	Confident	83.7	Confident	100 Å²	100	95.1 Å²	95.1	61%	0.606	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-39.4	176	172.7	0	0	0	0	111.7	L412 F413 G414 G420	L412-V416 WeakPolarHBondContact O-CG2 3.11Å; L412-V416 PolarHBondContact O-N 3.25Å; L412-V416 VanDerWaalsContact O-N 3.12Å; F413-V416 PolarHBondContact O-N 3.3Å; G414-V416 VanDerWaalsContact C-N 3.34Å; G414-V416 PolarHBondContact O-N 2.83Å; V416-G420 PolarHBondContact O-N 3.45Å
417	I	86	Confident	84.5	Confident	99 Å²	99	96 Å²	96	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-45.7	175.4	-69.8	169.8	0	0	0	111.2	F413 G414 M415 G420 F421	F413-I417 HydrophobicContact CD1-CD1 3.83Å; F413-I417 HydrophobicContact CE1-CD1 3.56Å; F413-I417 HydrophobicContact CZ-CD1 4.1Å; F413-I417 WeakPolarHBondContact O-CG1 3.34Å; F413-I417 PolarHBondContact O-N 3.19Å; F413-I417 VanDerWaalsContact O-N 3.1Å; G414-I417 PolarHBondContact O-N 3.16Å; M415-I417 PolarHBondContact O-N 3.46Å; I417-G420 PolarHBondContact O-N 2.89Å; I417-F421 PolarHBondContact O-N 3.19Å
418	V	84.9	Confident	84.7	Confident	87 Å²	87	100.5 Å²	100.5	53%	0.527	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-46	178.7	172.6	0	0	0	0	111.1	G414 M415 G420 F421 V422	G414-V418 WeakPolarHBondContact O-CG2 3.5Å; G414-V418 PolarHBondContact O-N 2.65Å; M415-V418 PolarHBondContact O-N 3.15Å; V418-G420 VanDerWaalsContact C-N 3.32Å; V418-G420 PolarHBondContact O-N 3.31Å; V418-F421 PolarHBondContact O-N 3.17Å; V418-V422 WeakPolarHBondContact O-CG2 3.31Å; V418-V422 PolarHBondContact O-N 3.18Å
419	L	83.4	Confident	84.9	Confident	110 Å²	110	103.4 Å²	103.4	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-38.6	175.6	-70.7	169.8	0	0	0	112	M415 V422 Y423	M415-L419 WeakPolarHBondContact O-CB 3.33Å; M415-L419 VanDerWaalsContact O-CG 3.28Å; M415-L419 WeakPolarHBondContact O-CG 3.5Å; M415-L419 PolarHBondContact O-N 3.25Å; L419-V422 PolarHBondContact O-N 2.96Å; L419-Y423 WeakPolarHBondContact O-CB 3.37Å; L419-Y423 PolarHBondContact O-N 3.46Å
420	G	89.3	Confident	84.8	Confident	39 Å²	39	106.7 Å²	106.7	40%	0.402	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-40.5	173.2	0	0	0	0	0	113.1	V416 I417 V418 Y424	V416-G420 PolarHBondContact O-N 3.45Å; I417-G420 PolarHBondContact O-N 2.89Å; V418-G420 VanDerWaalsContact C-N 3.32Å; V418-G420 PolarHBondContact O-N 3.31Å; G420-Y424 WeakPolarHBondContact O-CB 3.46Å; G420-Y424 PolarHBondContact O-N 3.01Å
421	F	85.6	Confident	84.5	Confident	132 Å²	132	107.9 Å²	107.9	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-67.9	-45	175.5	-174.9	-99.4	0	0	0	112	I417 V418 Y423 Y424 C425	I417-F421 PolarHBondContact O-N 3.19Å; V418-F421 PolarHBondContact O-N 3.17Å; F421-Y423 PolarHBondContact O-N 2.86Å; F421-Y424 WeakPolarHBondContact O-CB 3.3Å; F421-Y424 PolarHBondContact O-N 2.86Å; F421-C425 PolarHBondContact O-N 3.09Å; F421-C425 PolarHBondContact O-SG 2.98Å
422	V	88.1	Confident	84.2	Confident	71 Å²	71	108.2 Å²	108.2	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-46.7	174.7	170.9	0	0	0	0	110.8	V418 L419 Y424 C425 L426	V418-V422 WeakPolarHBondContact O-CG2 3.31Å; V418-V422 PolarHBondContact O-N 3.18Å; L419-V422 PolarHBondContact O-N 2.96Å; V422-Y424 PolarHBondContact O-N 2.97Å; V422-C425 PolarHBondContact O-N 3.24Å; V422-L426 HydrophobicContact CG1-CD1 3.91Å; V422-L426 HydrophobicContact CG1-CG 4.43Å; V422-L426 WeakPolarHBondContact O-CB 3.48Å; V422-L426 WeakPolarHBondContact O-CG 3.36Å; V422-L426 PolarHBondContact O-N 2.97Å
423	Y	90.3	Very high	84.2	Confident	146 Å²	146	106.2 Å²	106.2	57%	0.573	51%	0.507	S	S	*	.	H	α-helix	trans	-60.4	-42.3	174.9	175.4	-95.8	0	0	0	112.3	L419 F421 L426 R427	L419-Y423 WeakPolarHBondContact O-CB 3.37Å; L419-Y423 PolarHBondContact O-N 3.46Å; F421-Y423 PolarHBondContact O-N 2.86Å; Y423-L426 PolarHBondContact O-N 2.89Å; Y423-R427 VanDerWaalsContact O-CB 3.24Å; Y423-R427 WeakPolarHBondContact O-CB 3.28Å; Y423-R427 PolarHBondContact O-N 2.9Å
424	Y	88.4	Confident	83.9	Confident	129 Å²	129	104.7 Å²	104.7	51%	0.506	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-44.9	175.6	174.7	-95.9	0	0	0	112	G420 F421 V422 R427 R428	G420-Y424 WeakPolarHBondContact O-CB 3.46Å; G420-Y424 PolarHBondContact O-N 3.01Å; F421-Y424 WeakPolarHBondContact O-CB 3.3Å; F421-Y424 PolarHBondContact O-N 2.86Å; V422-Y424 PolarHBondContact O-N 2.97Å; Y424-R427 PolarHBondContact O-N 3.21Å; Y424-R428 VanDerWaalsContact O-CB 3.27Å; Y424-R428 WeakPolarHBondContact O-CB 3.29Å; Y424-R428 PolarHBondContact O-N 3.15Å
425	C	82.7	Confident	83.3	Confident	53 Å²	53	108.6 Å²	108.6	36%	0.358	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-44.1	177.6	-74.1	0	0	0	0	112.4	F421 V422 R427 R428 R429	F421-C425 PolarHBondContact O-N 3.09Å; F421-C425 PolarHBondContact O-SG 2.98Å; V422-C425 PolarHBondContact O-N 3.24Å; C425-R427 PolarHBondContact O-N 3.48Å; C425-R428 PolarHBondContact O-N 3.06Å; C425-R429 WeakPolarHBondContact O-CB 3.42Å; C425-R429 PolarHBondContact O-N 2.86Å
426	L	82.8	Confident	82.5	Confident	110 Å²	110	107.7 Å²	107.7	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-41.3	174.7	-69.8	171.5	0	0	0	112	V422 Y423 R429 R430	V422-L426 HydrophobicContact CG1-CD1 3.91Å; V422-L426 HydrophobicContact CG1-CG 4.43Å; V422-L426 WeakPolarHBondContact O-CB 3.48Å; V422-L426 WeakPolarHBondContact O-CG 3.36Å; V422-L426 PolarHBondContact O-N 2.97Å; Y423-L426 PolarHBondContact O-N 2.89Å; L426-R429 PolarHBondContact O-N 3.46Å; L426-R430 PolarHBondContact O-N 2.88Å
427	R	86.6	Confident	81.8	Confident	146 Å²	146	109.7 Å²	109.7	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-40.6	175.7	-175.6	173.3	178	175.1	-2	112	Y423 Y424 C425 R430 I431	Y423-R427 VanDerWaalsContact O-CB 3.24Å; Y423-R427 WeakPolarHBondContact O-CB 3.28Å; Y423-R427 PolarHBondContact O-N 2.9Å; Y424-R427 PolarHBondContact O-N 3.21Å; C425-R427 PolarHBondContact O-N 3.48Å; R427-R430 PolarHBondContact O-N 3.41Å; R427-I431 HydrophobicContact CG-CD1 4.14Å; R427-I431 WeakPolarHBondContact O-CD1 3.35Å; R427-I431 VanDerWaalsContact O-CG1 3.32Å; R427-I431 WeakPolarHBondContact O-CG1 3.28Å; R427-I431 PolarHBondContact O-N 2.89Å; R427-I431 VanDerWaalsContact O-N 3.12Å
428	R	80.1	Confident	80.8	Confident	161 Å²	161	107.4 Å²	107.4	61%	0.608	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-39.7	175.7	-177	173.3	174.1	175.8	-5	111.4	Y424 C425 I431 Q432	Y424-R428 VanDerWaalsContact O-CB 3.27Å; Y424-R428 WeakPolarHBondContact O-CB 3.29Å; Y424-R428 PolarHBondContact O-N 3.15Å; C425-R428 PolarHBondContact O-N 3.06Å; R428-I431 PolarHBondContact O-N 3.09Å; R428-Q432 WeakPolarHBondContact O-CB 3.45Å; R428-Q432 PolarHBondContact O-N 3.46Å
429	R	84.4	Confident	79.7	Confident	165 Å²	165	108.7 Å²	108.7	62%	0.623	50%	0.504	S	S	*	.	H	α-helix	trans	-60.6	-49.4	173.1	177.6	174.3	171.2	156	5.1	111.6	C425 L426 I431 Q432 E433	C425-R429 WeakPolarHBondContact O-CB 3.42Å; C425-R429 PolarHBondContact O-N 2.86Å; L426-R429 PolarHBondContact O-N 3.46Å; R429-I431 VanDerWaalsContact C-N 3.33Å; R429-I431 PolarHBondContact O-N 3.03Å; R429-Q432 WeakPolarHBondContact O-CA 3.44Å; R429-Q432 WeakPolarHBondContact O-CB 3.47Å; R429-Q432 PolarHBondContact O-N 3.35Å; R429-E433 HydrophobicContact CG-CG 4.41Å; R429-E433 WeakPolarHBondContact CG-OE1 3.49Å; R429-E433 IonicContact CZ-OE1 2.67Å; R429-E433 IonicContact NE-OE1 2.66Å; R429-E433 PolarHBondContact NE-OE1 3.27Å; R429-E433 IonicContact NH2-OE1 3.23Å; R429-E433 PolarHBondContact NH2-OE1 2.81Å; R429-E433 WeakPolarHBondContact O-CG 3.36Å; R429-E433 PolarHBondContact O-N 3.4Å
430	R	82.4	Confident	78.6	Confident	167 Å²	167	106.9 Å²	106.9	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-57.2	-44.3	176.3	-173.1	-177.4	-65.6	-177.6	-1.6	112.5	L426 R427 Q432 E433 E434	L426-R430 PolarHBondContact O-N 2.88Å; R427-R430 PolarHBondContact O-N 3.41Å; R430-Q432 PolarHBondContact O-N 3.03Å; R430-E433 PolarHBondContact O-N 2.76Å; R430-E434 WeakPolarHBondContact O-CB 3.27Å; R430-E434 WeakPolarHBondContact O-CG 3.3Å; R430-E434 PolarHBondContact O-N 2.85Å
431	I	77.4	Confident	77.4	Confident	71 Å²	71	109 Å²	109	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-28.7	176.8	-68.5	165.2	0	0	0	111.9	R427 R428 R429 K435	R427-I431 HydrophobicContact CG-CD1 4.14Å; R427-I431 WeakPolarHBondContact O-CD1 3.35Å; R427-I431 VanDerWaalsContact O-CG1 3.32Å; R427-I431 WeakPolarHBondContact O-CG1 3.28Å; R427-I431 PolarHBondContact O-N 2.89Å; R427-I431 VanDerWaalsContact O-N 3.12Å; R428-I431 PolarHBondContact O-N 3.09Å; R429-I431 VanDerWaalsContact C-N 3.33Å; R429-I431 PolarHBondContact O-N 3.03Å; I431-K435 VanDerWaalsContact O-CG 3.29Å; I431-K435 WeakPolarHBondContact O-CG 3.36Å; I431-K435 PolarHBondContact O-N 3.44Å
432	Q	71.3	Confident	76.1	Confident	87 Å²	87	109.6 Å²	109.6	41%	0.407	51%	0.508	S	S	.	.	H	α-helix	trans	-76.2	-45.1	176	-173	62.9	22.8	0	0	111.2	R428 R429 R430 E434 K435 E436	R428-Q432 WeakPolarHBondContact O-CB 3.45Å; R428-Q432 PolarHBondContact O-N 3.46Å; R429-Q432 WeakPolarHBondContact O-CA 3.44Å; R429-Q432 WeakPolarHBondContact O-CB 3.47Å; R429-Q432 PolarHBondContact O-N 3.35Å; R430-Q432 PolarHBondContact O-N 3.03Å; Q432-E434 VanDerWaalsContact C-N 3.28Å; Q432-E434 PolarHBondContact O-N 3.43Å; Q432-K435 WeakPolarHBondContact O-CA 3.34Å; Q432-K435 WeakPolarHBondContact O-CB 3.28Å; Q432-K435 PolarHBondContact O-N 3.46Å; Q432-E436 VanDerWaalsContact CG-OE1 3.28Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.43Å; Q432-E436 PolarHBondContact NE2-OE1 3.18Å; Q432-E436 PolarHBondContact O-N 3.33Å
433	E	81	Confident	74.8	Confident	65 Å²	65	111.8 Å²	111.8	30%	0.304	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-35.8	173.5	-67.6	167	177.6	0	0	112	R429 R430 K437	R429-E433 HydrophobicContact CG-CG 4.41Å; R429-E433 WeakPolarHBondContact CG-OE1 3.49Å; R429-E433 IonicContact CZ-OE1 2.67Å; R429-E433 IonicContact NE-OE1 2.66Å; R429-E433 PolarHBondContact NE-OE1 3.27Å; R429-E433 IonicContact NH2-OE1 3.23Å; R429-E433 PolarHBondContact NH2-OE1 2.81Å; R429-E433 WeakPolarHBondContact O-CG 3.36Å; R429-E433 PolarHBondContact O-N 3.4Å; R430-E433 PolarHBondContact O-N 2.76Å; E433-K437 WeakPolarHBondContact O-CD 3.38Å; E433-K437 VanDerWaalsContact O-CG 3.27Å; E433-K437 WeakPolarHBondContact O-CG 3.38Å; E433-K437 PolarHBondContact O-N 3.5Å; E433-K437 VanDerWaalsContact O-N 3.14Å
434	E	78	Confident	73.5	Confident	111 Å²	111	107.9 Å²	107.9	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-65.8	-38.7	171.7	-75.8	167.5	-169.7	0	0	112.4	R430 Q432 A438	R430-E434 WeakPolarHBondContact O-CB 3.27Å; R430-E434 WeakPolarHBondContact O-CG 3.3Å; R430-E434 PolarHBondContact O-N 2.85Å; Q432-E434 VanDerWaalsContact C-N 3.28Å; Q432-E434 PolarHBondContact O-N 3.43Å; E434-A438 WeakPolarHBondContact O-CB 3.29Å; E434-A438 PolarHBondContact O-N 3.31Å
435	K	73.9	Confident	72.1	Confident	112 Å²	112	106.1 Å²	106.1	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-70	-41.4	175.7	-75.8	170.2	-178.3	-179.7	0	112.5	I431 Q432 K437 A438 I439	I431-K435 VanDerWaalsContact O-CG 3.29Å; I431-K435 WeakPolarHBondContact O-CG 3.36Å; I431-K435 PolarHBondContact O-N 3.44Å; Q432-K435 WeakPolarHBondContact O-CA 3.34Å; Q432-K435 WeakPolarHBondContact O-CB 3.28Å; Q432-K435 PolarHBondContact O-N 3.46Å; K435-K437 VanDerWaalsContact C-N 3.33Å; K435-A438 CarbonylContact O-C 3.52Å; K435-A438 PolarHBondContact O-N 3.37Å; K435-A438 VanDerWaalsContact O-N 3.13Å; K435-I439 VanDerWaalsContact O-CG1 3.28Å; K435-I439 WeakPolarHBondContact O-CG1 3.42Å; K435-I439 PolarHBondContact O-N 3.49Å
436	E	69.4	Low	70.8	Confident	100 Å²	100	106.6 Å²	106.6	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-41.3	178.3	-77.4	156.4	-165.6	0	0	110.9	Q432 A438 I439 S440	Q432-E436 VanDerWaalsContact CG-OE1 3.28Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.43Å; Q432-E436 PolarHBondContact NE2-OE1 3.18Å; Q432-E436 PolarHBondContact O-N 3.33Å; E436-A438 PolarHBondContact O-N 2.72Å; E436-I439 PolarHBondContact O-N 3.2Å; E436-S440 WeakPolarHBondContact O-CB 3.32Å; E436-S440 PolarHBondContact O-N 3.35Å
437	K	71.9	Confident	69.6	Low	142 Å²	142	104.6 Å²	104.6	62%	0.617	49%	0.488	S	S	*	.	H	α-helix	trans	-60	-43.8	169.5	-71.4	165.2	-174.2	170.1	0	112	E433 K435 I439 S440 V441	E433-K437 WeakPolarHBondContact O-CD 3.38Å; E433-K437 VanDerWaalsContact O-CG 3.27Å; E433-K437 WeakPolarHBondContact O-CG 3.38Å; E433-K437 PolarHBondContact O-N 3.5Å; E433-K437 VanDerWaalsContact O-N 3.14Å; K435-K437 VanDerWaalsContact C-N 3.33Å; K437-I439 VanDerWaalsContact C-N 3.34Å; K437-I439 PolarHBondContact O-N 3.47Å; K437-S440 PolarHBondContact O-N 3.33Å; K437-V441 WeakPolarHBondContact O-CG2 3.46Å; K437-V441 PolarHBondContact O-N 3.39Å
438	A	64.7	Low	68	Low	52 Å²	52	104.9 Å²	104.9	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-26.6	177.5	0	0	0	0	0	114.3	E434 K435 E436 K442	E434-A438 WeakPolarHBondContact O-CB 3.29Å; E434-A438 PolarHBondContact O-N 3.31Å; K435-A438 CarbonylContact O-C 3.52Å; K435-A438 PolarHBondContact O-N 3.37Å; K435-A438 VanDerWaalsContact O-N 3.13Å; E436-A438 PolarHBondContact O-N 2.72Å; A438-K442 VanDerWaalsContact O-CG 3.3Å; A438-K442 WeakPolarHBondContact O-CG 3.3Å; A438-K442 PolarHBondContact O-N 3.07Å
439	I	63.1	Low	66.8	Low	114 Å²	114	106 Å²	106	59%	0.585	50%	0.502	S	S	*	.	H	α-helix	trans	-78.1	-45.1	173.9	-70.1	162.8	0	0	0	110.1	K435 E436 K437 K442 K443	K435-I439 VanDerWaalsContact O-CG1 3.28Å; K435-I439 WeakPolarHBondContact O-CG1 3.42Å; K435-I439 PolarHBondContact O-N 3.49Å; E436-I439 PolarHBondContact O-N 3.2Å; K437-I439 VanDerWaalsContact C-N 3.34Å; K437-I439 PolarHBondContact O-N 3.47Å; I439-K442 WeakPolarHBondContact O-CB 3.41Å; I439-K442 PolarHBondContact O-N 3.07Å; I439-K442 VanDerWaalsContact O-N 3.15Å; I439-K443 PolarHBondContact O-N 3.25Å
440	S	58.9	Low	65.4	Low	71 Å²	71	105.5 Å²	105.5	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-55.8	-53	175.5	-179.5	0	0	0	0	111.4	E436 K437 K442 K443 T444	E436-S440 WeakPolarHBondContact O-CB 3.32Å; E436-S440 PolarHBondContact O-N 3.35Å; K437-S440 PolarHBondContact O-N 3.33Å; S440-K442 VanDerWaalsContact C-N 3.26Å; S440-K442 PolarHBondContact O-N 3.23Å; S440-K443 WeakPolarHBondContact O-CA 3.17Å; S440-K443 WeakPolarHBondContact O-CB 3.37Å; S440-K443 PolarHBondContact O-N 3.04Å; S440-T444 PolarHBondContact O-N 3.42Å; S440-T444 PolarHBondContact O-OG1 3.34Å; S440-T444 VanDerWaalsContact O-OG1 3.09Å
441	V	64.9	Low	64.6	Low	84 Å²	84	98.8 Å²	98.8	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-57.3	-37.1	176.6	170	0	0	0	0	112.3	K437 I445	K437-V441 WeakPolarHBondContact O-CG2 3.46Å; K437-V441 PolarHBondContact O-N 3.39Å; V441-I445 HydrophobicContact CG1-CD1 3.74Å; V441-I445 WeakPolarHBondContact O-CB 3.41Å; V441-I445 WeakPolarHBondContact O-CD1 3.42Å; V441-I445 WeakPolarHBondContact O-CG1 3.43Å; V441-I445 PolarHBondContact O-N 3.45Å
442	K	58.7	Low	63.6	Low	145 Å²	145	99.8 Å²	99.8	63%	0.63	49%	0.494	S	S	*	.	H	α-helix	trans	-69.1	-36.7	174.7	-78.7	176.8	178.6	-176.8	0	113	A438 I439 S440 I445 L446	A438-K442 VanDerWaalsContact O-CG 3.3Å; A438-K442 WeakPolarHBondContact O-CG 3.3Å; A438-K442 PolarHBondContact O-N 3.07Å; I439-K442 WeakPolarHBondContact O-CB 3.41Å; I439-K442 PolarHBondContact O-N 3.07Å; I439-K442 VanDerWaalsContact O-N 3.15Å; S440-K442 VanDerWaalsContact C-N 3.26Å; S440-K442 PolarHBondContact O-N 3.23Å; K442-I445 PolarHBondContact O-N 2.96Å; K442-L446 PolarHBondContact O-N 3.39Å; K442-L446 VanDerWaalsContact O-N 3.09Å
443	K	59	Low	62.8	Low	117 Å²	117	103.8 Å²	103.8	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-53.5	173.9	-169.3	-168.7	172.6	-159.8	0	109.8	I439 S440 I445 L446 E447	I439-K443 PolarHBondContact O-N 3.25Å; S440-K443 WeakPolarHBondContact O-CA 3.17Å; S440-K443 WeakPolarHBondContact O-CB 3.37Å; S440-K443 PolarHBondContact O-N 3.04Å; K443-I445 VanDerWaalsContact C-N 3.27Å; K443-I445 PolarHBondContact O-N 3.15Å; K443-L446 PolarHBondContact O-N 2.86Å; K443-E447 IonicContact NZ-OE1 2.76Å; K443-E447 VanDerWaalsContact O-CB 3.31Å; K443-E447 WeakPolarHBondContact O-CB 3.21Å; K443-E447 PolarHBondContact O-N 3.4Å
444	T	63	Low	61.6	Low	63 Å²	63	102.5 Å²	102.5	39%	0.387	51%	0.514	S	S	.	.	H	α-helix	trans	-57.7	-37.6	179	-40.5	0	0	0	0	112.5	S440 E447 M448	S440-T444 PolarHBondContact O-N 3.42Å; S440-T444 PolarHBondContact O-OG1 3.34Å; S440-T444 VanDerWaalsContact O-OG1 3.09Å; T444-E447 PolarHBondContact O-N 2.92Å; T444-M448 HydrophobicContact CG2-CE 4.27Å; T444-M448 WeakPolarHBondContact O-CB 3.34Å; T444-M448 WeakPolarHBondContact O-CG 3.44Å; T444-M448 PolarHBondContact O-N 3.31Å
445	I	60.4	Low	60.4	Low	93 Å²	93	97.8 Å²	97.8	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-32.4	176.7	-71	168	0	0	0	112.8	V441 K442 K443 R449	V441-I445 HydrophobicContact CG1-CD1 3.74Å; V441-I445 WeakPolarHBondContact O-CB 3.41Å; V441-I445 WeakPolarHBondContact O-CD1 3.42Å; V441-I445 WeakPolarHBondContact O-CG1 3.43Å; V441-I445 PolarHBondContact O-N 3.45Å; K442-I445 PolarHBondContact O-N 2.96Å; K443-I445 VanDerWaalsContact C-N 3.27Å; K443-I445 PolarHBondContact O-N 3.15Å; I445-R449 WeakPolarHBondContact O-CB 3.27Å
446	L	55.9	Low	59.5	Low	63 Å²	63	95.3 Å²	95.3	33%	0.33	49%	0.494	S	S	.	.	H	α-helix	trans	-71.6	-45	171	-106.7	77.1	0	0	0	111.3	K442 K443 R449 Y450	K442-L446 PolarHBondContact O-N 3.39Å; K442-L446 VanDerWaalsContact O-N 3.09Å; K443-L446 PolarHBondContact O-N 2.86Å; L446-R449 CarbonylContact O-C 3.57Å; L446-R449 WeakPolarHBondContact O-CA 3.38Å; L446-R449 PolarHBondContact O-N 3.44Å; L446-Y450 HydrophobicContact CG-CD2 4.49Å; L446-Y450 PolarHBondContact O-N 3.26Å
447	E	57.3	Low	58.8	Low	67 Å²	67	93.2 Å²	93.2	31%	0.313	49%	0.494	S	S	.	.	H	α-helix	trans	-61.9	-45.1	-175.6	-159.6	153.2	-134.3	0	0	111	K443 T444 R449 G451	K443-E447 IonicContact NZ-OE1 2.76Å; K443-E447 VanDerWaalsContact O-CB 3.31Å; K443-E447 WeakPolarHBondContact O-CB 3.21Å; K443-E447 PolarHBondContact O-N 3.4Å; T444-E447 PolarHBondContact O-N 2.92Å; E447-R449 PolarHBondContact O-N 2.96Å; E447-G451 WeakPolarHBondContact O-CA 3.44Å; E447-G451 PolarHBondContact O-N 3Å
448	M	52.5	Low	58	Low	153 Å²	153	88.7 Å²	88.7	75%	0.754	48%	0.478	S	S	*	.	H	α-helix	trans	-67.5	-7.9	171.6	-71.3	-167.2	-61.7	0	0	115	T444	T444-M448 HydrophobicContact CG2-CE 4.27Å; T444-M448 WeakPolarHBondContact O-CB 3.34Å; T444-M448 WeakPolarHBondContact O-CG 3.44Å; T444-M448 PolarHBondContact O-N 3.31Å
449	R	54	Low	57.5	Low	185 Å²	185	90.1 Å²	90.1	70%	0.698	49%	0.49	S	S	*	.	H	α-helix	trans	-118.2	-23.9	-173.3	-156.6	175.6	-150.5	-138.1	5.1	114.6	I445 L446 E447	I445-R449 WeakPolarHBondContact O-CB 3.27Å; L446-R449 CarbonylContact O-C 3.57Å; L446-R449 WeakPolarHBondContact O-CA 3.38Å; L446-R449 PolarHBondContact O-N 3.44Å; E447-R449 PolarHBondContact O-N 2.96Å
450	Y	54.8	Low	57	Low	154 Å²	154	91.7 Å²	91.7	60%	0.604	50%	0.499	S	S	*	.	H	α-helix	trans	-137.3	1.4	-177.6	-58.5	-72.2	0	0	0	114.1	L446 A454	L446-Y450 HydrophobicContact CG-CD2 4.49Å; L446-Y450 PolarHBondContact O-N 3.26Å; Y450-A454 WeakPolarHBondContact O-CB 3.48Å
451	G	66.2	Low	56.5	Low	26 Å²	26	91.2 Å²	91.2	27%	0.268	49%	0.491	S	S	.	.			trans	82	168.4	179.3	0	0	0	0	0	114.6	E447	E447-G451 WeakPolarHBondContact O-CA 3.44Å; E447-G451 PolarHBondContact O-N 3Å
452	P	56.8	Low	55.9	Low	91 Å²	91	93.1 Å²	93.1	59%	0.591	51%	0.505	S	S	*	.	H	α-helix	trans	-68.6	-36.6	-170.1	25.5	-34	0	0	0	113.8	A454 A455 A456	P452-A454 VanDerWaalsContact C-N 3.32Å; P452-A454 PolarHBondContact O-N 3.44Å; P452-A455 WeakPolarHBondContact O-CB 3.48Å; P452-A455 PolarHBondContact O-N 3.46Å; P452-A455 VanDerWaalsContact O-N 3.12Å; P452-A456 PolarHBondContact O-N 3.26Å; P452-A456 VanDerWaalsContact O-N 3.12Å
453	E	54.5	Low	55.6	Low	171 Å²	171	87.3 Å²	87.3	80%	0.799	49%	0.487	S	S	*	.	H	α-helix	trans	-64.1	-36.9	-179.2	-60.9	-171.4	149.3	0	0	112.3	A455 A456 A457	E453-A455 VanDerWaalsContact C-N 3.31Å; E453-A455 PolarHBondContact O-N 2.75Å; E453-A456 PolarHBondContact O-N 3.35Å; E453-A457 PolarHBondContact O-N 2.93Å; E453-A457 VanDerWaalsContact O-N 3.15Å
454	A	54.7	Low	55.5	Low	38 Å²	38	83 Å²	83	31%	0.314	47%	0.473	S	S	.	.	H	α-helix	trans	-65.8	-33.6	175.2	0	0	0	0	0	112.3	Y450 P452 V458	Y450-A454 WeakPolarHBondContact O-CB 3.48Å; P452-A454 VanDerWaalsContact C-N 3.32Å; P452-A454 PolarHBondContact O-N 3.44Å; A454-V458 WeakPolarHBondContact O-CG2 3.32Å; A454-V458 PolarHBondContact O-N 3.47Å
455	A	53	Low	55.1	Low	13 Å²	13	84.2 Å²	84.2	11%	0.107	48%	0.476	C	S	.	.	H	α-helix	trans	-70.4	-35.9	175.3	0	0	0	0	0	112.2	P452 E453 A459	P452-A455 WeakPolarHBondContact O-CB 3.48Å; P452-A455 PolarHBondContact O-N 3.46Å; P452-A455 VanDerWaalsContact O-N 3.12Å; E453-A455 VanDerWaalsContact C-N 3.31Å; E453-A455 PolarHBondContact O-N 2.75Å; A455-A459 PolarHBondContact O-N 2.96Å
456	A	55.9	Low	54.6	Low	59 Å²	59	86.1 Å²	86.1	49%	0.488	48%	0.483	S	S	.	.	H	α-helix	trans	-67.1	-40.5	176.6	0	0	0	0	0	112.7	P452 E453 V458 A459	P452-A456 PolarHBondContact O-N 3.26Å; P452-A456 VanDerWaalsContact O-N 3.12Å; E453-A456 PolarHBondContact O-N 3.35Å; A456-V458 PolarHBondContact O-N 3.42Å; A456-A459 WeakPolarHBondContact O-CB 3.24Å; A456-A459 PolarHBondContact O-N 3.23Å
457	A	54.2	Low	54.5	Low	56 Å²	56	90 Å²	90	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-40.3	178.2	0	0	0	0	0	112.9	E453 A459 N460 D461	E453-A457 PolarHBondContact O-N 2.93Å; E453-A457 VanDerWaalsContact O-N 3.15Å; A457-A459 VanDerWaalsContact C-N 3.27Å; A457-A459 PolarHBondContact O-N 2.93Å; A457-N460 PolarHBondContact O-N 3.27Å; A457-D461 PolarHBondContact O-N 3.38Å
458	V	56	Low	54.2	Low	48 Å²	48	92.6 Å²	92.6	29%	0.291	51%	0.508	S	S	.	.	H	α-helix	trans	-70.9	-20.6	-179.1	175	0	0	0	0	112.7	A454 A456 N460 I465	A454-V458 WeakPolarHBondContact O-CG2 3.32Å; A454-V458 PolarHBondContact O-N 3.47Å; A456-V458 PolarHBondContact O-N 3.42Å; V458-N460 VanDerWaalsContact C-N 3.29Å; V458-N460 PolarHBondContact O-N 2.98Å; V458-I465 HydrophobicContact CG1-CD1 4.17Å; V458-I465 HydrophobicContact CG2-CD1 4.01Å; V458-I465 HydrophobicContact CG2-CG1 3.91Å
459	A	54.3	Low	54.1	Low	81 Å²	81	91.8 Å²	91.8	67%	0.669	50%	0.503	S	S	*	.	H	α-helix	trans	-69.2	-25.2	175.4	0	0	0	0	0	113.4	A455 A456 A457	A455-A459 PolarHBondContact O-N 2.96Å; A456-A459 WeakPolarHBondContact O-CB 3.24Å; A456-A459 PolarHBondContact O-N 3.23Å; A457-A459 VanDerWaalsContact C-N 3.27Å; A457-A459 PolarHBondContact O-N 2.93Å
460	N	51.9	Low	53.7	Low	148 Å²	148	88.9 Å²	88.9	79%	0.791	50%	0.497	S	S	*	.	H	α-helix	trans	-107.6	-22.6	-171.4	-69.3	-34.9	0	0	0	114.9	A457 V458	A457-N460 PolarHBondContact O-N 3.27Å; V458-N460 VanDerWaalsContact C-N 3.29Å; V458-N460 PolarHBondContact O-N 2.98Å
461	D	47.9	Very low	53	Low	60 Å²	60	89.1 Å²	89.1	32%	0.321	50%	0.504	S	S	.	.			trans	-141.2	109	169.9	-178	5.4	0	0	0	111.8	A457 G463 A464 R467	A457-D461 PolarHBondContact O-N 3.38Å; D461-G463 PolarHBondContact O-N 3.34Å; D461-G463 VanDerWaalsContact O-N 3.1Å; D461-G463 WeakPolarHBondContact OD1-CA 3.36Å; D461-G463 PolarHBondContact OD1-N 3.02Å; D461-A464 HydrophobicContact CB-CB 4.45Å; D461-A464 WeakPolarHBondContact O-CB 3.5Å; D461-A464 PolarHBondContact O-N 3.37Å; D461-A464 VanDerWaalsContact O-N 3.1Å; D461-R467 IonicContact OD2-CZ 3.88Å; D461-R467 IonicContact OD2-NH1 3.51Å; D461-R467 PolarHBondContact OD2-NH1 2.87Å; D461-R467 IonicContact OD2-NH2 3.32Å; D461-R467 PolarHBondContact OD2-NH2 3.2Å
462	P	53.2	Low	51.9	Low	124 Å²	124	93.1 Å²	93.1	81%	0.805	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.1	174.2	-25.2	35.3	0	0	0	114.9
463	G	52.3	Low	51	Low	24 Å²	24	96.3 Å²	96.3	25%	0.247	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.7	177.3	0	0	0	0	0	115	D461 I465 Q466	D461-G463 PolarHBondContact O-N 3.34Å; D461-G463 VanDerWaalsContact O-N 3.1Å; D461-G463 WeakPolarHBondContact OD1-CA 3.36Å; D461-G463 PolarHBondContact OD1-N 3.02Å; G463-I465 VanDerWaalsContact C-N 3.33Å; G463-I465 PolarHBondContact O-N 3.15Å; G463-Q466 PolarHBondContact O-N 3.4Å; G463-Q466 VanDerWaalsContact O-N 3.16Å
464	A	56.3	Low	50.1	Low	25 Å²	25	96.7 Å²	96.7	21%	0.207	53%	0.531	C	S	.	.	H	α-helix	trans	-60.2	-38.9	-173.3	0	0	0	0	0	113.6	D461 Q466 R467 L468	D461-A464 HydrophobicContact CB-CB 4.45Å; D461-A464 WeakPolarHBondContact O-CB 3.5Å; D461-A464 PolarHBondContact O-N 3.37Å; D461-A464 VanDerWaalsContact O-N 3.1Å; A464-Q466 VanDerWaalsContact C-N 3.29Å; A464-Q466 PolarHBondContact O-N 3.06Å; A464-R467 PolarHBondContact O-N 3.05Å; A464-L468 PolarHBondContact O-N 3.02Å
465	I	54.1	Low	49.1	Very low	89 Å²	89	103.2 Å²	103.2	46%	0.456	56%	0.555	S	S	.	*	H	α-helix	trans	-60.7	-38.5	178.8	-65.9	177.2	0	0	0	111.3	V458 G463 L468 Q469	V458-I465 HydrophobicContact CG1-CD1 4.17Å; V458-I465 HydrophobicContact CG2-CD1 4.01Å; V458-I465 HydrophobicContact CG2-CG1 3.91Å; G463-I465 VanDerWaalsContact C-N 3.33Å; G463-I465 PolarHBondContact O-N 3.15Å; I465-L468 PolarHBondContact O-N 3.06Å; I465-Q469 PolarHBondContact O-N 3.48Å; I465-Q469 VanDerWaalsContact O-N 3.13Å
466	Q	51.2	Low	48.1	Very low	134 Å²	134	111.8 Å²	111.8	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-68.6	-38.1	-177.5	-169.1	166.3	-12.2	0	0	111.6	G463 A464 Q469 E470	G463-Q466 PolarHBondContact O-N 3.4Å; G463-Q466 VanDerWaalsContact O-N 3.16Å; A464-Q466 VanDerWaalsContact C-N 3.29Å; A464-Q466 PolarHBondContact O-N 3.06Å; Q466-Q469 PolarHBondContact O-N 3.13Å; Q466-E470 PolarHBondContact O-N 3.22Å
467	R	52.9	Low	46.7	Very low	145 Å²	145	115.4 Å²	115.4	55%	0.547	61%	0.614	S	S	.	*	H	α-helix	trans	-68.1	-37.7	177.5	-57	-168.1	-167.6	97.7	1.5	112.7	D461 A464 Q469 E470 Q471	D461-R467 IonicContact OD2-CZ 3.88Å; D461-R467 IonicContact OD2-NH1 3.51Å; D461-R467 PolarHBondContact OD2-NH1 2.87Å; D461-R467 IonicContact OD2-NH2 3.32Å; D461-R467 PolarHBondContact OD2-NH2 3.2Å; A464-R467 PolarHBondContact O-N 3.05Å; R467-Q469 VanDerWaalsContact C-N 3.29Å; R467-Q469 PolarHBondContact O-N 3.14Å; R467-E470 PolarHBondContact O-N 3.16Å; R467-Q471 PolarHBondContact O-N 2.93Å; R467-Q471 VanDerWaalsContact O-N 3.17Å
468	L	50.9	Low	45.5	Very low	120 Å²	120	116.6 Å²	116.6	63%	0.628	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-35.8	172	-90	162	0	0	0	112.2	A464 I465 T472	A464-L468 PolarHBondContact O-N 3.02Å; I465-L468 PolarHBondContact O-N 3.06Å; L468-T472 PolarHBondContact O-OG1 2.9Å
469	Q	50.4	Low	44.1	Very low	136 Å²	136	118.4 Å²	118.4	64%	0.636	66%	0.66	S	S	*	*	H	α-helix	trans	-78.5	-21.6	179.1	-161.2	163.9	-2.8	0	0	113.5	I465 Q466 R467 T472	I465-Q469 PolarHBondContact O-N 3.48Å; I465-Q469 VanDerWaalsContact O-N 3.13Å; Q466-Q469 PolarHBondContact O-N 3.13Å; R467-Q469 VanDerWaalsContact C-N 3.29Å; R467-Q469 PolarHBondContact O-N 3.14Å; Q469-T472 PolarHBondContact O-OG1 3.33Å; Q469-T472 VanDerWaalsContact O-OG1 3.11Å
470	E	46.1	Very low	43	Very low	125 Å²	125	119.7 Å²	119.7	58%	0.584	67%	0.671	S	S	*	*	H	α-helix	trans	-78.3	-37.1	170	-73.4	179	135.6	0	0	112.6	Q466 R467 T472 H473	Q466-E470 PolarHBondContact O-N 3.22Å; R467-E470 PolarHBondContact O-N 3.16Å; E470-T472 PolarHBondContact O-N 3.33Å; E470-T472 VanDerWaalsContact O-N 3.17Å; E470-H473 PolarHBondContact O-N 2.99Å
471	Q	41	Very low	41.9	Very low	158 Å²	158	116.7 Å²	116.7	74%	0.738	68%	0.675	S	S	*	*	H	α-helix	trans	-63.4	-20.9	178.7	-77.6	-174.4	-24.1	0	0	114	R467	R467-Q471 PolarHBondContact O-N 2.93Å; R467-Q471 VanDerWaalsContact O-N 3.17Å
472	T	42.2	Very low	41	Very low	110 Å²	110	117.5 Å²	117.5	68%	0.675	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-6.1	179.2	33.5	0	0	0	0	114.5	L468 Q469 E470	L468-T472 PolarHBondContact O-OG1 2.9Å; Q469-T472 PolarHBondContact O-OG1 3.33Å; Q469-T472 VanDerWaalsContact O-OG1 3.11Å; E470-T472 PolarHBondContact O-N 3.33Å; E470-T472 VanDerWaalsContact O-N 3.17Å
473	H	38.3	Very low	39.9	Very low	159 Å²	159	121.9 Å²	121.9	74%	0.736	70%	0.704	S	S	*	*	S	Bend	trans	-103.4	-3.7	-172.7	-108.9	-61.1	0	0	0	116.6	E470	E470-H473 PolarHBondContact O-N 2.99Å
474	H	35.3	Very low	38.6	Very low	178 Å²	178	128.4 Å²	128.4	82%	0.824	73%	0.732	S	S	*	*	S	Bend	trans	-99.2	11.4	-178.3	-92.6	-62.7	0	0	0	116.1
475	H	34.7	Very low	38.4	Very low	175 Å²	175	132.5 Å²	132.5	81%	0.81	76%	0.756	S	S	*	*	S	Bend	trans	-122	73.5	168	-86.7	9.8	0	0	0	111.8
476	H	31.5	Very low	38.2	Very low	194 Å²	194	133 Å²	133	90%	0.898	77%	0.766	S	S	*	*				-178.6	122.9	117.4	-91.4	-61.4	0	0	0	110.7
477	S	26.6	Very low	37.1	Very low	134 Å²	134	131.7 Å²	131.7	94%	0.937	77%	0.771	S	S	*	*			trans	-141.9	130.8	167.4	-179	0	0	0	0	108.8
478	G	27.9	Very low	35.8	Very low	82 Å²	82	128.8 Å²	128.8	85%	0.845	78%	0.778	S	S	*	*			trans	155.5	111.3	-179.4	0	0	0	0	0	112.9
479	G	27.8	Very low	34.7	Very low	86 Å²	86	128.3 Å²	128.3	89%	0.887	79%	0.785	S	S	*	*			trans	134	116.1	178.8	0	0	0	0	0	111.7
480	A	30.8	Very low	33.6	Very low	107 Å²	107	127.2 Å²	127.2	88%	0.884	79%	0.792	S	S	*	*			trans	-121.4	144.2	-167.2	0	0	0	0	0	114.2
481	G	28.5	Very low	32.9	Very low	86 Å²	86	125.3 Å²	125.3	89%	0.887	79%	0.793	S	S	*	*			trans	86.4	119.2	153.5	0	0	0	0	0	117.4
482	G	29.6	Very low	32.3	Very low	76 Å²	76	124.6 Å²	124.6	78%	0.784	80%	0.8	S	S	*	*			trans	171.5	56.4	173.9	0	0	0	0	0	120
483	K	28.6	Very low	31.6	Very low	217 Å²	217	122.3 Å²	122.3	94%	0.943	80%	0.798	S	S	*	*			trans	56.7	135.9	157.9	-64.3	-178.8	178.6	177.2	0	121.2
484	L	26.1	Very low	31.3	Very low	160 Å²	160	123.1 Å²	123.1	84%	0.838	80%	0.804	S	S	*	*			trans	-72.6	179	161.9	-65.8	159.4	0	0	0	111.6
485	P	51.2	Low	30.9	Very low	111 Å²	111	120.6 Å²	120.6	72%	0.721	80%	0.796	S	S	*	*				-131.9	-132.6	-52.5	41.4	-22.8	0	0	0	107.7
486	P	51	Low	30.6	Very low	101 Å²	101	120.4 Å²	120.4	66%	0.656	80%	0.795	S	S	*	*			cis	-127.1	173	-38.9	36.7	-19.9	0	0	0	114.9
487	S	27.1	Very low	30.4	Very low	105 Å²	105	114.6 Å²	114.6	73%	0.734	79%	0.787	S	S	*	*			trans	61.8	142.5	139.5	66.5	0	0	0	0	124.7
488	A	26	Very low	30.7	Very low	85 Å²	85	113.4 Å²	113.4	70%	0.702	78%	0.779	S	S	*	*			trans	84.3	105.9	138.2	0	0	0	0	0	121.9
489	S	27.7	Very low	30.8	Very low	109 Å²	109	113.5 Å²	113.5	76%	0.762	77%	0.772	S	S	*	*				49.4	135.2	128	64.3	0	0	0	0	123.2
490	S	27.4	Very low	31	Very low	113 Å²	113	116.9 Å²	116.9	79%	0.79	77%	0.77	S	S	*	*			trans	70.6	154.1	154.5	-118.4	0	0	0	0	116.1
491	S	31	Very low	31.2	Very low	86 Å²	86	117.9 Å²	117.9	60%	0.601	77%	0.765	S	S	*	*			cis	-173.6	158.1	-26.1	40.1	0	0	0	0	109.3
492	T	30.2	Very low	31.3	Very low	143 Å²	143	118.3 Å²	118.3	88%	0.877	76%	0.755	S	S	*	*			trans	62.2	144.8	157.1	46.8	0	0	0	0	120.1
493	G	27.5	Very low	31.4	Very low	62 Å²	62	120.1 Å²	120.1	64%	0.639	76%	0.755	S	S	*	*			trans	117	116	177.5	0	0	0	0	0	110.9
494	M	30.1	Very low	31.5	Very low	175 Å²	175	114.1 Å²	114.1	86%	0.862	74%	0.741	S	S	*	*			cis	66.6	134.5	49.4	-57.2	-159.1	-58.6	0	0	113
495	L	28.8	Very low	31.9	Very low	126 Å²	126	117.6 Å²	117.6	66%	0.66	74%	0.743	S	S	*	*			cis	-165.3	168	-1.4	-121.4	174	0	0	0	110.6
496	H	28.2	Very low	30.8	Very low	171 Å²	171	120 Å²	120	79%	0.792	75%	0.748	S	S	*	*			trans	61.6	155.7	172.9	-63.8	-76.1	0	0	0	116.3
497	G	26.9	Very low	29.8	Very low	71 Å²	71	119.5 Å²	119.5	73%	0.732	75%	0.747	S	S	*	*			cis	163.4	171.3	-2.6	0	0	0	0	0	108.6
498	S	31.8	Very low	29.9	Very low	110 Å²	110	120.4 Å²	120.4	77%	0.769	75%	0.749	S	S	*	*			cis	179.7	173.5	-11.3	39.6	0	0	0	0	108.5
499	A	31.1	Very low	30.1	Very low	84 Å²	84	124 Å²	124	69%	0.694	76%	0.755	S	S	*	*			trans	77	128.5	-177.5	0	0	0	0	0	115
500	N	32.3	Very low	30.8	Very low	157 Å²	157	124 Å²	124	84%	0.84	75%	0.752	S	S	*	*			cis	80.5	141.9	42.1	-55.4	-11.7	0	0	0	111.6
501	T	33.2	Very low	30.8	Very low	127 Å²	127	126.7 Å²	126.7	78%	0.779	75%	0.753	S	S	*	*			cis	-137.6	-170.5	17.1	63	0	0	0	0	110.1
502	S	31.8	Very low	30.7	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	76%	0.759	S	S	*	*			cis	-161.9	149.5	8.2	7.9	0	0	0	0	113.5
503	S	30.8	Very low	30.6	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	75%	0.752	S	S	*	*			trans	61.3	147.1	143.8	-83.9	0	0	0	0	122.7
504	S	31.9	Very low	30.6	Very low	91 Å²	91	134 Å²	134	64%	0.636	76%	0.756	S	S	*	*			cis	-171.8	140.6	-8.9	40.7	0	0	0	0	113.5
505	R	34.3	Very low	30.3	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	76%	0.759	S	S	*	*			trans	57.9	142.3	146.9	-60.4	177.4	176.9	-171.9	-1.6	118
506	L	28.2	Very low	30.1	Very low	160 Å²	160	132.8 Å²	132.8	84%	0.838	76%	0.762	S	S	*	*			cis	-158.6	-179.5	-6.4	-139.6	68.1	0	0	0	105.2
507	S	30.5	Very low	30	Very low	91 Å²	91	130.4 Å²	130.4	64%	0.636	76%	0.764	S	S	*	*			cis	-150.7	-164.7	1.6	54.8	0	0	0	0	107.3
508	T	28.9	Very low	30	Very low	125 Å²	125	131.3 Å²	131.3	77%	0.767	77%	0.765	S	S	*	*			cis	-149.7	173.8	7	-28	0	0	0	0	109.3
509	L	29.2	Very low	29.8	Very low	159 Å²	159	135.7 Å²	135.7	83%	0.832	77%	0.771	S	S	*	*			trans	-146.5	169.7	-175.8	-90.4	171.7	0	0	0	109.5
510	P	43.1	Very low	29.5	Very low	109 Å²	109	136 Å²	136	71%	0.708	77%	0.768	S	S	*	*			cis	-152.2	-171	32.9	47	-26.8	0	0	0	119.7
511	Q	27.7	Very low	29.3	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	77%	0.766	S	S	*	*			trans	92.5	159.6	152.6	-70.3	-76.2	-4.9	0	0	120.3
512	V	27.4	Very low	28.9	Very low	121 Å²	121	135.7 Å²	135.7	73%	0.733	77%	0.77	S	S	*	*			trans	-152.5	152.5	-158.2	168.9	0	0	0	0	107.5
513	E	28.2	Very low	28.7	Very low	155 Å²	155	140.1 Å²	140.1	72%	0.724	78%	0.783	S	S	*	*			trans	178.8	-164.9	142	-89.2	-108.9	91.6	0	0	111.6
514	K	27.7	Very low	28.5	Very low	169 Å²	169	138.5 Å²	138.5	74%	0.735	78%	0.784	S	S	*	*			trans	-114.7	162.8	-149.5	-52.2	150.2	-177.9	134.8	0	113.9
515	M	24.5	Very low	28.3	Very low	189 Å²	189	139.8 Å²	139.8	93%	0.931	79%	0.793	S	S	*	*			trans	28.8	149	130.4	-167.3	175.1	-77	0	0	121.3
516	A	24.9	Very low	28.1	Very low	86 Å²	86	138.2 Å²	138.2	71%	0.711	79%	0.793	S	S	*	*			trans	92.2	114.5	179.2	0	0	0	0	0	112.6
517	S	26.5	Very low	28.1	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	79%	0.786	S	S	*	*			cis	101.4	102.4	37	72.1	0	0	0	0	112.6
518	A	26.3	Very low	28	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	79%	0.792	S	S	*	*			trans	-154.2	150.3	165.7	0	0	0	0	0	107.4
519	F	26.4	Very low	27.9	Very low	202 Å²	202	141.8 Å²	141.8	89%	0.886	80%	0.795	S	S	*	*			cis	-132.1	121.7	11.4	-122.3	-92.5	0	0	0	111
520	S	25.8	Very low	27.8	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	79%	0.786	S	S	*	*			trans	-88	161.3	140.8	-47.7	0	0	0	0	106.7
521	E	27.6	Very low	27.1	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	78%	0.784	S	S	*	*			cis	-168.9	155.6	6.9	-137.4	167.6	122.4	0	0	108.2
522	A	25.3	Very low	27	Very low	104 Å²	104	140.5 Å²	140.5	86%	0.86	79%	0.79	S	S	*	*			trans	175.7	141	145.8	0	0	0	0	0	111.5
523	M	27.2	Very low	27.1	Very low	190 Å²	190	145 Å²	145	94%	0.936	79%	0.794	S	S	*	*			trans	-100.8	157.5	176.4	-56.2	-173.6	-163.5	0	0	112.6
524	G	26.5	Very low	27.1	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	80%	0.799	S	S	*	*			trans	-150.8	115.2	175	0	0	0	0	0	113.9
525	S	28	Very low	27.1	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	80%	0.803	S	S	*	*			trans	-58.1	140.9	-171.2	49.9	0	0	0	0	120.6
526	K	30.8	Very low	27.3	Very low	200 Å²	200	136.9 Å²	136.9	87%	0.87	80%	0.795	S	S	*	*			trans	24.2	131.7	138.2	-70.3	-175.3	171.5	179.9	0	122.7
527	S	26.9	Very low	27.5	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	81%	0.805	S	S	*	*			trans	85.8	130.5	131.9	-96.3	0	0	0	0	124.5
528	N	30.1	Very low	27.6	Very low	144 Å²	144	141.5 Å²	141.5	77%	0.77	80%	0.799	S	S	*	*			trans	81.2	102.8	137.4	-60.3	10.5	0	0	0	122.9
529	Y	24.9	Very low	27.9	Very low	207 Å²	207	140.5 Å²	140.5	81%	0.812	80%	0.798	S	S	*	*				68.9	148.4	112.3	-156.9	-122.1	0	0	0	123.2
530	M	28.5	Very low	28	Very low	132 Å²	132	139.1 Å²	139.1	65%	0.65	79%	0.794	S	S	*	*			trans	87.9	118.6	165.2	-88.3	-87.1	175.4	0	0	123
531	D	27.9	Very low	28.1	Very low	125 Å²	125	138.8 Å²	138.8	67%	0.668	79%	0.791	S	S	*	*			trans	-15.9	154.7	152.6	-59.3	-2.8	0	0	0	122.3
532	V	26	Very low	28.2	Very low	153 Å²	153	140.8 Å²	140.8	93%	0.927	79%	0.791	S	S	*	*				-141.2	154.8	125	179.6	0	0	0	0	110.4
533	R	28.9	Very low	28.4	Very low	216 Å²	216	142.1 Å²	142.1	82%	0.815	78%	0.784	S	S	*	*			trans	-103.9	164.7	-172	-48.6	163.9	175.3	146	-6.2	114.9
534	T	27.5	Very low	28.4	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	77%	0.773	S	S	*	*			trans	-166.7	150.8	143	28.8	0	0	0	0	109.3
535	T	29.7	Very low	28.3	Very low	131 Å²	131	139.1 Å²	139.1	80%	0.804	77%	0.774	S	S	*	*			cis	166.7	131.5	-37.2	30.6	0	0	0	0	107.8
536	G	27.5	Very low	28.3	Very low	75 Å²	75	140.9 Å²	140.9	77%	0.773	77%	0.774	S	S	*	*			trans	123.6	123.8	170.7	0	0	0	0	0	113.7
537	M	29.2	Very low	28.1	Very low	186 Å²	186	137.4 Å²	137.4	92%	0.916	77%	0.769	S	S	*	*			cis	70.5	128.1	47.1	-73.5	-176.4	69.5	0	0	113.7
538	V	29.7	Very low	28.2	Very low	119 Å²	119	137.2 Å²	137.2	72%	0.721	77%	0.773	S	S	*	*			cis	-152.1	148.1	5.4	141	0	0	0	0	111.3
539	G	30.7	Very low	27.9	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	78%	0.775	S	S	*	*			trans	72.2	159.2	133.8	0	0	0	0	0	121.7
540	E	29	Very low	27.9	Very low	172 Å²	172	127.9 Å²	127.9	80%	0.804	77%	0.774	S	S	*	*			cis	-162.8	152.9	-8.1	-138.9	-158.9	99.9	0	0	113.2
541	S	28.9	Very low	27.9	Very low	84 Å²	84	128.9 Å²	128.9	59%	0.587	79%	0.787	S	S	*	*			trans	56.2	121.4	142.3	-75.1	0	0	0	0	125.7
542	R	30	Very low	27.8	Very low	215 Å²	215	126.7 Å²	126.7	81%	0.811	79%	0.794	S	S	*	*				99	131.2	127	-71.4	176.3	108.1	145.5	8.3	125.1
543	D	28.1	Very low	27.9	Very low	132 Å²	132	123.2 Å²	123.2	71%	0.706	79%	0.79	S	S	*	*				47.2	110.6	129.1	-47.1	-26.5	0	0	0	122.7
544	G	26.7	Very low	27.7	Very low	69 Å²	69	121.4 Å²	121.4	71%	0.711	79%	0.79	S	S	*	*				106.7	119.9	110.3	0	0	0	0	0	123
545	V	25.6	Very low	27.7	Very low	138 Å²	138	120 Å²	120	84%	0.836	78%	0.781	S	S	*	*			trans	72	151.2	142.8	-141.1	0	0	0	0	120.2
546	L	27.7	Very low	27.5	Very low	156 Å²	156	120.1 Å²	120.1	82%	0.817	78%	0.781	S	S	*	*			trans	74.1	152.9	164.1	-57.5	-177.7	0	0	0	117.5
547	V	27	Very low	27.4	Very low	127 Å²	127	122.7 Å²	122.7	77%	0.77	78%	0.782	S	S	*	*			cis	-158.1	157.1	-35.2	106.7	0	0	0	0	110.1
548	A	27.7	Very low	27.1	Very low	96 Å²	96	120.1 Å²	120.1	79%	0.793	77%	0.772	S	S	*	*			trans	10	149.2	165.5	0	0	0	0	0	124.3
549	G	24.9	Very low	27.1	Very low	79 Å²	79	120.9 Å²	120.9	81%	0.814	77%	0.769	S	S	*	*				137.6	89.2	110.2	0	0	0	0	0	122.1
550	G	25.6	Very low	26.7	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	78%	0.778	S	S	*	*			trans	69	-177.3	146.6	0	0	0	0	0	119.5
551	V	27	Very low	26.5	Very low	152 Å²	152	123.8 Å²	123.8	92%	0.921	77%	0.771	S	S	*	*			cis	-164	148.3	-17.4	124.1	0	0	0	0	110
552	G	26.3	Very low	26.4	Very low	80 Å²	80	126.6 Å²	126.6	83%	0.825	79%	0.785	S	S	*	*			trans	77.6	159.3	173	0	0	0	0	0	114.8
553	G	27.9	Very low	26.3	Very low	80 Å²	80	120.6 Å²	120.6	83%	0.825	78%	0.781	S	S	*	*			cis	159.2	170.8	2	0	0	0	0	0	107.7
554	E	25.3	Very low	26.3	Very low	177 Å²	177	123.9 Å²	123.9	83%	0.827	79%	0.792	S	S	*	*			cis	-170.1	163.6	-14.2	-163.6	-165.5	131.8	0	0	106.5
555	V	26.3	Very low	26.5	Very low	107 Å²	107	128.7 Å²	128.7	65%	0.648	80%	0.802	S	S	*	*			trans	67.6	127.5	168.6	-164.5	0	0	0	0	115.3
556	V	25.5	Very low	26.6	Very low	133 Å²	133	125.7 Å²	125.7	81%	0.806	80%	0.799	S	S	*	*			cis	90.6	156.7	31.5	-177.8	0	0	0	0	113.8
557	V	26.4	Very low	26.6	Very low	129 Å²	129	124.5 Å²	124.5	78%	0.782	80%	0.799	S	S	*	*			trans	82.2	115.8	-174.7	-167.8	0	0	0	0	114.1
558	D	23.9	Very low	26.6	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	80%	0.803	S	S	*	*			cis	113.8	152.2	7.2	-166.5	30.7	0	0	0	115
559	M	28.6	Very low	26.9	Very low	134 Å²	134	127.7 Å²	127.7	66%	0.66	81%	0.807	S	S	*	*			trans	83.7	123.5	163	-78.3	-79	156.8	0	0	122.9
560	R	23.1	Very low	27.1	Very low	237 Å²	237	127.3 Å²	127.3	89%	0.894	80%	0.803	S	S	*	*			trans	78.2	142.8	150.4	-61.4	166.4	-173.7	-150.1	-0.8	119.4
561	G	24.3	Very low	27.4	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	81%	0.811	S	S	*	*			cis	154	168.4	-10.4	0	0	0	0	0	114.7
562	V	25.6	Very low	27.8	Very low	144 Å²	144	133.6 Å²	133.6	87%	0.873	81%	0.807	S	S	*	*			trans	67	109.5	169.9	-168.3	0	0	0	0	114.3
563	A	28	Very low	28.2	Very low	89 Å²	89	135.3 Å²	135.3	74%	0.736	81%	0.806	S	S	*	*			cis	88.2	119.4	45.5	0	0	0	0	0	115.4
564	E	29.2	Very low	28.7	Very low	200 Å²	200	139.2 Å²	139.2	94%	0.935	81%	0.808	S	S	*	*			trans	-174.3	179.5	135.1	-107.3	-173.9	177.7	0	0	113.2
565	N	29.8	Very low	29.3	Very low	170 Å²	170	138.6 Å²	138.6	91%	0.909	81%	0.811	S	S	*	*			trans	-89.9	160.3	-169.5	-69.2	-47.6	0	0	0	114.7
566	G	27.6	Very low	29.9	Very low	76 Å²	76	139 Å²	139	78%	0.784	81%	0.81	S	S	*	*			trans	177.5	114.5	163.8	0	0	0	0	0	117.3
567	T	28.4	Very low	31.2	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	81%	0.808	S	S	*	*			trans	-44.4	150.6	173.8	34.9	0	0	0	0	121.1
568	E	28.1	Very low	32.1	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	81%	0.805	S	S	*	*			trans	72.9	125.6	142.1	-70.1	-173.4	153	0	0	123.8
569	A	33	Very low	33.1	Very low	106 Å²	106	135.3 Å²	135.3	88%	0.876	80%	0.797	S	S	*	*			trans	44.3	119.7	140.4	0	0	0	0	0	122.1
570	G	30.1	Very low	34.1	Very low	72 Å²	72	132.9 Å²	132.9	74%	0.742	79%	0.793	S	S	*	*			trans	178.2	95.7	163.1	0	0	0	0	0	116.7
571	E	32	Very low	35.3	Very low	202 Å²	202	125.1 Å²	125.1	94%	0.944	78%	0.78	S	S	*	*			trans	63.2	162.6	145.7	-56.4	-174.6	134.6	0	0	121.5
572	D	33.7	Very low	36.5	Very low	157 Å²	157	125.8 Å²	125.8	84%	0.84	77%	0.774	S	S	*	*			trans	-83.3	151.5	-170.8	-56	-83.8	0	0	0	114.5
573	S	35.5	Very low	37.6	Very low	116 Å²	116	124.9 Å²	124.9	81%	0.811	76%	0.76	S	S	*	*			trans	-163.1	120.5	151.9	-78.7	0	0	0	0	113
574	D	38	Very low	38.8	Very low	162 Å²	162	126.2 Å²	126.2	87%	0.866	75%	0.754	S	S	*	*			trans	34.7	115	152	-58.5	-23.2	0	0	0	121.8
575	D	38.2	Very low	39.9	Very low	165 Å²	165	119.8 Å²	119.8	88%	0.882	73%	0.731	S	S	*	*			trans	-76.9	114.9	164.5	180	35.3	0	0	0	111.1	G577	D575-G577 PolarHBondContact O-N 3.35Å
576	D	39.7	Very low	41.1	Very low	116 Å²	116	115.8 Å²	115.8	62%	0.62	71%	0.713	S	S	*	*			trans	-80.4	98.7	-172.4	-167.7	7.3	0	0	0	111.5	R578	D576-R578 VanDerWaalsContact C-N 3.26Å; D576-R578 PolarHBondContact O-N 3.46Å; D576-R578 IonicContact OD1-NE 2.67Å; D576-R578 IonicContact OD2-NE 3.61Å; D576-R578 PolarHBondContact OD2-NE 3.12Å
577	G	52.7	Low	42.4	Very low	75 Å²	75	117.5 Å²	117.5	77%	0.773	70%	0.703	S	S	*	*			trans	-65.6	63	-171.2	0	0	0	0	0	116.6	D575	D575-G577 PolarHBondContact O-N 3.35Å
578	R	44.9	Very low	43.4	Very low	188 Å²	188	113.6 Å²	113.6	71%	0.709	68%	0.684	S	S	*	*			trans	-108	-5.4	-176.4	-71.3	-178.2	174.7	-101.5	-3	115.7	D576 S580	D576-R578 VanDerWaalsContact C-N 3.26Å; D576-R578 PolarHBondContact O-N 3.46Å; D576-R578 IonicContact OD1-NE 2.67Å; D576-R578 IonicContact OD2-NE 3.61Å; D576-R578 PolarHBondContact OD2-NE 3.12Å; R578-S580 VanDerWaalsContact C-N 3.34Å; R578-S580 PolarHBondContact O-N 3.01Å
579	G	43.7	Very low	44.7	Very low	53 Å²	53	111.3 Å²	111.3	55%	0.546	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.6	-37.5	179.5	0	0	0	0	0	114.3	A581 S582	G579-A581 VanDerWaalsContact C-N 3.31Å; G579-A581 PolarHBondContact O-N 3.44Å; G579-S582 PolarHBondContact O-OG 3.29Å
580	S	50.8	Low	46.1	Very low	83 Å²	83	110.9 Å²	110.9	58%	0.58	65%	0.651	S	S	*	*	H	α-helix	trans	-76.4	-7.4	-171.1	-51.1	0	0	0	0	115.8	R578 I584	R578-S580 VanDerWaalsContact C-N 3.34Å; R578-S580 PolarHBondContact O-N 3.01Å; S580-I584 VanDerWaalsContact O-CD1 3.28Å; S580-I584 WeakPolarHBondContact O-CD1 3.33Å; S580-I584 VanDerWaalsContact O-CG1 3.3Å; S580-I584 WeakPolarHBondContact O-CG1 3.41Å
581	A	47	Very low	47.9	Very low	75 Å²	75	111 Å²	111	62%	0.62	64%	0.637	S	S	*	*	H	α-helix	trans	-83.3	-34.7	-175.9	0	0	0	0	0	113.5	G579	G579-A581 VanDerWaalsContact C-N 3.31Å; G579-A581 PolarHBondContact O-N 3.44Å
582	S	49.7	Very low	49.3	Very low	78 Å²	78	106.4 Å²	106.4	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-72.5	-43.8	-179.4	44.7	0	0	0	0	112	G579 I584 S585 T586	G579-S582 PolarHBondContact O-OG 3.29Å; S582-I584 PolarHBondContact O-N 2.82Å; S582-S585 WeakPolarHBondContact O-CB 3.48Å; S582-S585 PolarHBondContact O-N 3.38Å; S582-S585 VanDerWaalsContact O-N 3.16Å; S582-T586 PolarHBondContact O-N 2.9Å; S582-T586 PolarHBondContact O-OG1 3.2Å
583	E	50.5	Low	50.8	Low	125 Å²	125	103.8 Å²	103.8	58%	0.584	60%	0.6	S	S	*	*	H	α-helix	trans	-63.3	-41.3	-178	-60.2	-174.6	142	0	0	112.4	S585 T586 I587	E583-S585 VanDerWaalsContact C-N 3.28Å; E583-S585 PolarHBondContact O-N 2.92Å; E583-T586 WeakPolarHBondContact CA-OG1 3.48Å; E583-T586 PolarHBondContact O-N 3.45Å; E583-T586 PolarHBondContact O-OG1 2.9Å; E583-I587 WeakPolarHBondContact O-CG1 3.39Å; E583-I587 PolarHBondContact O-N 2.86Å; E583-I587 VanDerWaalsContact O-N 3.07Å
584	I	51.3	Low	52.5	Low	117 Å²	117	102 Å²	102	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-63.9	-34.9	176.8	-64.9	174.3	0	0	0	111	S580 S582 A588	S580-I584 VanDerWaalsContact O-CD1 3.28Å; S580-I584 WeakPolarHBondContact O-CD1 3.33Å; S580-I584 VanDerWaalsContact O-CG1 3.3Å; S580-I584 WeakPolarHBondContact O-CG1 3.41Å; S582-I584 PolarHBondContact O-N 2.82Å; I584-A588 PolarHBondContact O-N 3.49Å; I584-A588 VanDerWaalsContact O-N 3.07Å
585	S	53	Low	53.6	Low	66 Å²	66	97.8 Å²	97.8	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-69.4	-38.4	177.7	-168.5	0	0	0	0	112.9	S582 E583 K589	S582-S585 WeakPolarHBondContact O-CB 3.48Å; S582-S585 PolarHBondContact O-N 3.38Å; S582-S585 VanDerWaalsContact O-N 3.16Å; E583-S585 VanDerWaalsContact C-N 3.28Å; E583-S585 PolarHBondContact O-N 2.92Å; S585-K589 PolarHBondContact O-N 2.91Å
586	T	55.3	Low	54.9	Low	86 Å²	86	95.8 Å²	95.8	53%	0.528	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-41.8	173.7	34.3	0	0	0	0	112.5	S582 E583 A588 K589 E590	S582-T586 PolarHBondContact O-N 2.9Å; S582-T586 PolarHBondContact O-OG1 3.2Å; E583-T586 WeakPolarHBondContact CA-OG1 3.48Å; E583-T586 PolarHBondContact O-N 3.45Å; E583-T586 PolarHBondContact O-OG1 2.9Å; T586-A588 VanDerWaalsContact C-N 3.34Å; T586-A588 PolarHBondContact O-N 2.92Å; T586-K589 PolarHBondContact O-N 3.47Å; T586-E590 PolarHBondContact O-N 2.9Å; T586-E590 VanDerWaalsContact O-N 3.15Å
587	I	54.1	Low	56.2	Low	112 Å²	112	95.4 Å²	95.4	57%	0.574	54%	0.544	S	S	*	.	H	α-helix	trans	-62.6	-42.1	177.7	-67.4	165.7	0	0	0	110.7	E583 K589 E590 V591	E583-I587 WeakPolarHBondContact O-CG1 3.39Å; E583-I587 PolarHBondContact O-N 2.86Å; E583-I587 VanDerWaalsContact O-N 3.07Å; I587-K589 PolarHBondContact O-N 3.27Å; I587-E590 PolarHBondContact O-N 2.92Å; I587-V591 WeakPolarHBondContact O-CG2 3.34Å; I587-V591 PolarHBondContact O-N 3.37Å
588	A	51	Low	57.2	Low	49 Å²	49	95.8 Å²	95.8	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-58.6	-45	175.2	0	0	0	0	0	112.4	I584 T586 E590 V591 D592	I584-A588 PolarHBondContact O-N 3.49Å; I584-A588 VanDerWaalsContact O-N 3.07Å; T586-A588 VanDerWaalsContact C-N 3.34Å; T586-A588 PolarHBondContact O-N 2.92Å; A588-E590 PolarHBondContact O-N 2.93Å; A588-V591 PolarHBondContact O-N 3.19Å; A588-D592 PolarHBondContact O-N 3.43Å
589	K	54.5	Low	58.2	Low	134 Å²	134	91 Å²	91	58%	0.583	52%	0.516	S	S	*	.	H	α-helix	trans	-63.2	-36.6	178.4	-80.3	-178.8	174.6	176	0	113.9	S585 T586 I587 K593	S585-K589 PolarHBondContact O-N 2.91Å; T586-K589 PolarHBondContact O-N 3.47Å; I587-K589 PolarHBondContact O-N 3.27Å; K589-K593 WeakPolarHBondContact O-CG 3.38Å; K589-K593 PolarHBondContact O-N 3.32Å; K589-K593 VanDerWaalsContact O-N 3.15Å
590	E	62.5	Low	59.2	Low	97 Å²	97	93.3 Å²	93.3	45%	0.453	52%	0.516	S	S	.	.	H	α-helix	trans	-74.5	-34.2	175.5	-59.2	-45.7	125	0	0	112.2	T586 I587 A588 K593 V594	T586-E590 PolarHBondContact O-N 2.9Å; T586-E590 VanDerWaalsContact O-N 3.15Å; I587-E590 PolarHBondContact O-N 2.92Å; A588-E590 PolarHBondContact O-N 2.93Å; E590-K593 PolarHBondContact O-N 3.12Å; E590-K593 IonicContact OE1-NZ 3.37Å; E590-K593 PolarHBondContact OE1-NZ 2.95Å; E590-K593 WeakPolarHBondContact OE2-CD 3.34Å; E590-K593 IonicContact OE2-NZ 2.79Å; E590-K593 PolarHBondContact OE2-NZ 3.37Å; E590-V594 WeakPolarHBondContact O-CG2 3.42Å; E590-V594 PolarHBondContact O-N 2.93Å
591	V	68.8	Low	59.9	Low	76 Å²	76	92.9 Å²	92.9	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-43.5	172	169.6	0	0	0	0	111.3	I587 A588 V594 N595	I587-V591 WeakPolarHBondContact O-CG2 3.34Å; I587-V591 PolarHBondContact O-N 3.37Å; A588-V591 PolarHBondContact O-N 3.19Å; V591-V594 PolarHBondContact O-N 3.32Å; V591-N595 VanDerWaalsContact O-CG 3.32Å; V591-N595 PolarHBondContact O-N 3.47Å; V591-N595 PolarHBondContact O-ND2 3.1Å
592	D	61	Low	61.2	Low	105 Å²	105	92.9 Å²	92.9	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-65.5	-38.2	177.2	-76.3	-24.8	0	0	0	112.7	A588 N595 Q596	A588-D592 PolarHBondContact O-N 3.43Å; D592-N595 PolarHBondContact O-N 3.5Å; D592-Q596 WeakPolarHBondContact O-CB 3.46Å; D592-Q596 PolarHBondContact O-N 3.42Å
593	K	63.7	Low	61.8	Low	101 Å²	101	92.8 Å²	92.8	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-44	171.4	-75.6	164	170.3	177.6	0	112.3	K589 E590 Q596 I597	K589-K593 WeakPolarHBondContact O-CG 3.38Å; K589-K593 PolarHBondContact O-N 3.32Å; K589-K593 VanDerWaalsContact O-N 3.15Å; E590-K593 PolarHBondContact O-N 3.12Å; E590-K593 IonicContact OE1-NZ 3.37Å; E590-K593 PolarHBondContact OE1-NZ 2.95Å; E590-K593 WeakPolarHBondContact OE2-CD 3.34Å; E590-K593 IonicContact OE2-NZ 2.79Å; E590-K593 PolarHBondContact OE2-NZ 3.37Å; K593-Q596 PolarHBondContact O-N 3.31Å; K593-I597 WeakPolarHBondContact O-CG1 3.42Å; K593-I597 PolarHBondContact O-N 3.27Å
594	V	72.4	Confident	62.2	Low	79 Å²	79	89.2 Å²	89.2	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-43.6	177.6	169.5	0	0	0	0	110.5	E590 V591 Q596 I597 I598	E590-V594 WeakPolarHBondContact O-CG2 3.42Å; E590-V594 PolarHBondContact O-N 2.93Å; V591-V594 PolarHBondContact O-N 3.32Å; V594-Q596 VanDerWaalsContact C-N 3.33Å; V594-Q596 PolarHBondContact O-N 2.93Å; V594-I597 PolarHBondContact O-N 3.41Å; V594-I598 HydrophobicContact CG1-CD1 3.82Å; V594-I598 VanDerWaalsContact O-CG1 3.29Å; V594-I598 WeakPolarHBondContact O-CG1 3.28Å; V594-I598 PolarHBondContact O-N 2.98Å
595	N	61.9	Low	62.6	Low	74 Å²	74	89.5 Å²	89.5	40%	0.396	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-40.6	173.2	-71.1	-31.1	0	0	0	112	V591 D592 I598 N599	V591-N595 VanDerWaalsContact O-CG 3.32Å; V591-N595 PolarHBondContact O-N 3.47Å; V591-N595 PolarHBondContact O-ND2 3.1Å; D592-N595 PolarHBondContact O-N 3.5Å; N595-I598 PolarHBondContact O-N 3.23Å; N595-N599 WeakPolarHBondContact O-CB 3.44Å; N595-N599 PolarHBondContact O-N 2.95Å; N595-N599 PolarHBondContact O-ND2 2.93Å
596	Q	63.6	Low	62.5	Low	123 Å²	123	92.3 Å²	92.3	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-65.1	-40.8	177	-168.8	175.7	28.9	0	0	112.3	D592 K593 V594 N599 N600	D592-Q596 WeakPolarHBondContact O-CB 3.46Å; D592-Q596 PolarHBondContact O-N 3.42Å; K593-Q596 PolarHBondContact O-N 3.31Å; V594-Q596 VanDerWaalsContact C-N 3.33Å; V594-Q596 PolarHBondContact O-N 2.93Å; Q596-N599 PolarHBondContact O-N 3.34Å; Q596-N600 WeakPolarHBondContact O-CB 3.3Å; Q596-N600 PolarHBondContact O-N 2.92Å; Q596-N600 PolarHBondContact O-ND2 3.48Å
597	I	68.8	Low	62.6	Low	107 Å²	107	93.8 Å²	93.8	55%	0.549	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-45.5	174.4	-68.2	163.6	0	0	0	110.6	K593 V594 N599 N600 C601	K593-I597 WeakPolarHBondContact O-CG1 3.42Å; K593-I597 PolarHBondContact O-N 3.27Å; V594-I597 PolarHBondContact O-N 3.41Å; I597-N599 PolarHBondContact O-N 2.97Å; I597-N600 PolarHBondContact O-N 2.99Å; I597-C601 PolarHBondContact O-N 2.91Å; I597-C601 PolarHBondContact O-SG 3.37Å; I597-C601 VanDerWaalsContact O-SG 3.42Å
598	I	72.3	Confident	62.3	Low	83 Å²	83	93.6 Å²	93.6	43%	0.426	50%	0.496	S	S	.	.	H	α-helix	trans	-59.7	-46.2	177.2	-70.8	166	0	0	0	110.9	V594 N595 C601 I602	V594-I598 HydrophobicContact CG1-CD1 3.82Å; V594-I598 VanDerWaalsContact O-CG1 3.29Å; V594-I598 WeakPolarHBondContact O-CG1 3.28Å; V594-I598 PolarHBondContact O-N 2.98Å; N595-I598 PolarHBondContact O-N 3.23Å; I598-C601 PolarHBondContact O-N 3.44Å; I598-I602 HydrophobicContact CG2-CD1 3.77Å; I598-I602 WeakPolarHBondContact O-CG1 3.29Å; I598-I602 PolarHBondContact O-N 3.45Å
599	N	66.6	Low	62.3	Low	87 Å²	87	94.1 Å²	94.1	47%	0.465	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-43.3	178.3	-70.6	-25.5	0	0	0	112	N595 Q596 I597 C601 I602 D603	N595-N599 WeakPolarHBondContact O-CB 3.44Å; N595-N599 PolarHBondContact O-N 2.95Å; N595-N599 PolarHBondContact O-ND2 2.93Å; Q596-N599 PolarHBondContact O-N 3.34Å; I597-N599 PolarHBondContact O-N 2.97Å; N599-C601 VanDerWaalsContact C-N 3.3Å; N599-C601 PolarHBondContact O-N 3.18Å; N599-I602 PolarHBondContact O-N 3.23Å; N599-I602 VanDerWaalsContact O-N 3.13Å; N599-D603 PolarHBondContact O-N 3.13Å
600	N	64.4	Low	62	Low	102 Å²	102	91 Å²	91	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-39	174.9	-71.8	-12.4	0	0	0	112.1	Q596 I597 A604	Q596-N600 WeakPolarHBondContact O-CB 3.3Å; Q596-N600 PolarHBondContact O-N 2.92Å; Q596-N600 PolarHBondContact O-ND2 3.48Å; I597-N600 PolarHBondContact O-N 2.99Å; N600-A604 WeakPolarHBondContact O-CB 3.45Å; N600-A604 PolarHBondContact O-N 3.43Å
601	C	66.1	Low	61.3	Low	74 Å²	74	89.6 Å²	89.6	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-68.6	-37.2	173.9	-70.5	0	0	0	0	112.8	I597 I598 N599 L605	I597-C601 PolarHBondContact O-N 2.91Å; I597-C601 PolarHBondContact O-SG 3.37Å; I597-C601 VanDerWaalsContact O-SG 3.42Å; I598-C601 PolarHBondContact O-N 3.44Å; N599-C601 VanDerWaalsContact C-N 3.3Å; N599-C601 PolarHBondContact O-N 3.18Å; C601-L605 VanDerWaalsContact O-CG 3.3Å; C601-L605 WeakPolarHBondContact O-CG 3.33Å; C601-L605 PolarHBondContact O-N 3.02Å
602	I	73.2	Confident	60.1	Low	76 Å²	76	92.1 Å²	92.1	39%	0.39	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-43	175.5	-72.7	166.1	0	0	0	110.9	I598 N599 L605 K606	I598-I602 HydrophobicContact CG2-CD1 3.77Å; I598-I602 WeakPolarHBondContact O-CG1 3.29Å; I598-I602 PolarHBondContact O-N 3.45Å; N599-I602 PolarHBondContact O-N 3.23Å; N599-I602 VanDerWaalsContact O-N 3.13Å; I602-L605 PolarHBondContact O-N 2.91Å; I602-K606 WeakPolarHBondContact O-CG 3.47Å; I602-K606 PolarHBondContact O-N 3.39Å
603	D	62.8	Low	59.2	Low	76 Å²	76	93.6 Å²	93.6	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-74.6	-32	-179.5	-71.2	-26.3	0	0	0	112.5	N599 K606 L607	N599-D603 PolarHBondContact O-N 3.13Å; D603-K606 PolarHBondContact O-N 3.48Å; D603-K606 WeakPolarHBondContact OD1-CD 3.49Å; D603-K606 WeakPolarHBondContact OD1-CE 3.35Å; D603-K606 IonicContact OD1-NZ 2.66Å; D603-K606 PolarHBondContact OD1-NZ 3.09Å; D603-L607 WeakPolarHBondContact O-CG 3.36Å; D603-L607 PolarHBondContact O-N 3.01Å
604	A	60	Low	58.2	Low	50 Å²	50	95 Å²	95	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-59.2	-46.2	166.6	0	0	0	0	0	111.9	N600 K606 L607 D608	N600-A604 WeakPolarHBondContact O-CB 3.45Å; N600-A604 PolarHBondContact O-N 3.43Å; A604-K606 VanDerWaalsContact C-N 3.32Å; A604-K606 PolarHBondContact O-N 3.15Å; A604-L607 PolarHBondContact O-N 2.98Å; A604-L607 VanDerWaalsContact O-N 3.15Å; A604-D608 PolarHBondContact O-N 3.16Å; A604-D608 VanDerWaalsContact O-N 3.16Å
605	L	58.4	Low	56.4	Low	122 Å²	122	95.9 Å²	95.9	64%	0.639	55%	0.545	S	S	*	.	H	α-helix	trans	-65.5	-30.7	177.1	-72.8	167.2	0	0	0	113.1	C601 I602 A609	C601-L605 VanDerWaalsContact O-CG 3.3Å; C601-L605 WeakPolarHBondContact O-CG 3.33Å; C601-L605 PolarHBondContact O-N 3.02Å; I602-L605 PolarHBondContact O-N 2.91Å; L605-A609 WeakPolarHBondContact O-CB 3.33Å; L605-A609 PolarHBondContact O-N 2.99Å; L605-A609 VanDerWaalsContact O-N 3.16Å
606	K	51.8	Low	55.2	Low	125 Å²	125	98.8 Å²	98.8	54%	0.543	57%	0.565	S	S	.	*	H	α-helix	trans	-67.8	-39.5	170.8	-72.7	175.8	-165.3	154.5	0	112.3	I602 D603 A604 A609 S610	I602-K606 WeakPolarHBondContact O-CG 3.47Å; I602-K606 PolarHBondContact O-N 3.39Å; D603-K606 PolarHBondContact O-N 3.48Å; D603-K606 WeakPolarHBondContact OD1-CD 3.49Å; D603-K606 WeakPolarHBondContact OD1-CE 3.35Å; D603-K606 IonicContact OD1-NZ 2.66Å; D603-K606 PolarHBondContact OD1-NZ 3.09Å; A604-K606 VanDerWaalsContact C-N 3.32Å; A604-K606 PolarHBondContact O-N 3.15Å; K606-A609 PolarHBondContact O-N 2.67Å; K606-S610 WeakPolarHBondContact O-CB 3.28Å; K606-S610 PolarHBondContact O-N 2.91Å
607	L	57.1	Low	53.7	Low	117 Å²	117	97.2 Å²	97.2	61%	0.613	57%	0.573	S	S	*	*	H	α-helix	trans	-63.8	-48.6	179.8	-72.3	165.6	0	0	0	110.8	D603 A604 A609 S610 A611	D603-L607 WeakPolarHBondContact O-CG 3.36Å; D603-L607 PolarHBondContact O-N 3.01Å; A604-L607 PolarHBondContact O-N 2.98Å; A604-L607 VanDerWaalsContact O-N 3.15Å; L607-A609 VanDerWaalsContact C-N 3.3Å; L607-A609 PolarHBondContact O-N 3.33Å; L607-S610 PolarHBondContact O-N 3.13Å; L607-S610 PolarHBondContact O-OG 3.05Å; L607-A611 PolarHBondContact O-N 2.99Å
608	D	47.4	Very low	51.8	Low	108 Å²	108	99.9 Å²	99.9	58%	0.578	59%	0.589	S	S	*	*	H	α-helix	trans	-62.5	-34.7	175.6	-76.6	-20.8	0	0	0	113	A604 N612	A604-D608 PolarHBondContact O-N 3.16Å; A604-D608 VanDerWaalsContact O-N 3.16Å; D608-N612 PolarHBondContact O-ND2 2.95Å
609	A	50	Low	49.9	Very low	60 Å²	60	103.8 Å²	103.8	50%	0.496	61%	0.61	S	S	.	*	H	α-helix	trans	-67.5	-34.6	173.2	0	0	0	0	0	112.6	L605 K606 L607	L605-A609 WeakPolarHBondContact O-CB 3.33Å; L605-A609 PolarHBondContact O-N 2.99Å; L605-A609 VanDerWaalsContact O-N 3.16Å; K606-A609 PolarHBondContact O-N 2.67Å; L607-A609 VanDerWaalsContact C-N 3.3Å; L607-A609 PolarHBondContact O-N 3.33Å
610	S	48.3	Very low	48.1	Very low	68 Å²	68	102.6 Å²	102.6	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-75.6	-32.8	178.6	72.7	0	0	0	0	113.5	K606 L607 N612	K606-S610 WeakPolarHBondContact O-CB 3.28Å; K606-S610 PolarHBondContact O-N 2.91Å; L607-S610 PolarHBondContact O-N 3.13Å; L607-S610 PolarHBondContact O-OG 3.05Å; S610-N612 VanDerWaalsContact C-N 3.3Å; S610-N612 PolarHBondContact O-N 3.31Å
611	A	49.1	Very low	46.5	Very low	68 Å²	68	105.7 Å²	105.7	56%	0.562	64%	0.635	S	S	*	*	H	α-helix	trans	-65.9	-30.1	-179.7	0	0	0	0	0	113.3	L607 I613	L607-A611 PolarHBondContact O-N 2.99Å; A611-I613 VanDerWaalsContact C-N 3.33Å; A611-I613 PolarHBondContact O-N 3.36Å
612	N	42.7	Very low	44.7	Very low	130 Å²	130	107.5 Å²	107.5	70%	0.695	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	7.6	-175.1	-76.1	-72	0	0	0	114.9	D608 S610	D608-N612 PolarHBondContact O-ND2 2.95Å; S610-N612 VanDerWaalsContact C-N 3.3Å; S610-N612 PolarHBondContact O-N 3.31Å
613	I	42.7	Very low	42.6	Very low	135 Å²	135	111.2 Å²	111.2	69%	0.692	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-1.6	-174.7	-63.6	179.1	0	0	0	112.7	A611	A611-I613 VanDerWaalsContact C-N 3.33Å; A611-I613 PolarHBondContact O-N 3.36Å
614	V	42.2	Very low	41	Very low	131 Å²	131	112.5 Å²	112.5	79%	0.794	68%	0.684	S	S	*	*	S	Bend	trans	-115.4	35.2	-174.3	-158.8	0	0	0	0	113
615	S	35.4	Very low	39.4	Very low	98 Å²	98	115.2 Å²	115.2	69%	0.685	70%	0.699	S	S	*	*	S	Bend	trans	-149.1	30.5	178.9	61.9	0	0	0	0	115.3
616	T	36.2	Very low	38	Very low	135 Å²	135	114.8 Å²	114.8	83%	0.828	71%	0.707	S	S	*	*	S	Bend	trans	-138.2	53.9	171.2	60.2	0	0	0	0	113.1
617	A	32.6	Very low	36.9	Very low	90 Å²	90	117.7 Å²	117.7	74%	0.744	72%	0.722	S	S	*	*			trans	-160.3	95.2	164.2	0	0	0	0	0	110.7
618	D	28.9	Very low	36.3	Very low	163 Å²	163	117.5 Å²	117.5	87%	0.872	73%	0.728	S	S	*	*				175.6	166	125.6	-94.2	1.3	0	0	0	112.6
619	D	31.1	Very low	36.1	Very low	165 Å²	165	117.3 Å²	117.3	88%	0.882	73%	0.732	S	S	*	*			trans	-70.7	170.9	-165.7	-70.9	-54.9	0	0	0	116.8
620	G	28.8	Very low	34.8	Very low	62 Å²	62	120 Å²	120	64%	0.639	75%	0.747	S	S	*	*			trans	113.1	73.9	130.8	0	0	0	0	0	119.7	S622	G620-S622 PolarHBondContact O-N 3.16Å
621	N	31.1	Very low	33.9	Very low	167 Å²	167	124.5 Å²	124.5	89%	0.893	76%	0.762	S	S	*	*			trans	25.5	96.3	132.9	-179.2	66.6	0	0	0	118.7
622	S	29.4	Very low	33.1	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	77%	0.767	S	S	*	*			trans	-159.4	177.7	161	57.1	0	0	0	0	113.4	G620	G620-S622 PolarHBondContact O-N 3.16Å
623	L	28.8	Very low	32.7	Very low	154 Å²	154	125 Å²	125	81%	0.806	77%	0.773	S	S	*	*			trans	-106.6	157.8	-166	-86.6	70.3	0	0	0	114.3
624	S	28.3	Very low	32	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	78%	0.781	S	S	*	*			trans	78	137	137.2	64.5	0	0	0	0	123.5
625	S	27.6	Very low	31.4	Very low	106 Å²	106	125.9 Å²	125.9	74%	0.741	78%	0.783	S	S	*	*			trans	90.2	146.4	134	69.6	0	0	0	0	122.9
626	S	28.2	Very low	31.3	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	79%	0.79	S	S	*	*			trans	61.5	103.2	154.4	42.6	0	0	0	0	122.1
627	Q	28.6	Very low	30.9	Very low	185 Å²	185	131.8 Å²	131.8	86%	0.864	79%	0.786	S	S	*	*			trans	-70.3	179.8	141.2	-74.3	179.8	-29.1	0	0	111.8
628	P	45.4	Very low	30.6	Very low	113 Å²	113	135.1 Å²	135.1	73%	0.734	79%	0.79	S	S	*	*			cis	-129.9	-132.7	-34	37.5	-16.9	0	0	0	109
629	P	41.9	Very low	30.6	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	79%	0.787	S	S	*	*			cis	-123.1	177.9	-44.3	38.2	-22.5	0	0	0	114.6
630	C	24.2	Very low	31.3	Very low	118 Å²	118	131.6 Å²	131.6	80%	0.797	78%	0.776	S	S	*	*			trans	32.8	150.2	140.9	-64	0	0	0	0	123.5
631	M	29.7	Very low	31.1	Very low	162 Å²	162	136.3 Å²	136.3	80%	0.798	79%	0.785	S	S	*	*			cis	-169.9	152.7	-3	-101.6	-106.3	73.5	0	0	110.6
632	A	31.8	Very low	31	Very low	80 Å²	80	132.8 Å²	132.8	66%	0.661	77%	0.774	S	S	*	*			trans	61.7	144.4	152.9	0	0	0	0	0	122.4
633	P	33.6	Very low	31	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	77%	0.773	S	S	*	*			trans	-93.6	102.6	179.6	35.2	-33.2	0	0	0	115.5
634	L	29.3	Very low	31	Very low	165 Å²	165	130.5 Å²	130.5	86%	0.864	77%	0.772	S	S	*	*			trans	32	129.2	134.6	-68.9	165	0	0	0	122.4
635	S	27.8	Very low	31.3	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	77%	0.774	S	S	*	*				-122	173.4	128.1	62	0	0	0	0	109.5
636	R	33.3	Very low	31.6	Very low	221 Å²	221	131.2 Å²	131.2	83%	0.834	78%	0.777	S	S	*	*			trans	-118.9	150.1	-144.4	-137.2	-176	-176.1	164.3	0.9	115.6
637	N	28.1	Very low	31.7	Very low	137 Å²	137	128.8 Å²	128.8	73%	0.733	77%	0.769	S	S	*	*			trans	72.8	138.6	165	-60.1	-13.4	0	0	0	115.5
638	L	27.3	Very low	31.9	Very low	160 Å²	160	126.8 Å²	126.8	84%	0.838	76%	0.764	S	S	*	*			cis	-145.8	-171.6	13.9	-113.5	152.3	0	0	0	112.7
639	L	29	Very low	31.3	Very low	154 Å²	154	128.3 Å²	128.3	81%	0.806	76%	0.762	S	S	*	*			trans	-104.1	179.1	-162	-70.8	162.4	0	0	0	114.4
640	P	46	Very low	30.9	Very low	99 Å²	99	130 Å²	130	64%	0.643	76%	0.764	S	S	*	*			cis	-143.3	-158	-46.3	42.2	-23.3	0	0	0	114.6
641	L	24	Very low	31.1	Very low	161 Å²	161	132.8 Å²	132.8	84%	0.843	77%	0.767	S	S	*	*			trans	81	147.1	169.4	-59.9	133.2	0	0	0	117.3
642	S	28.4	Very low	31	Very low	94 Å²	94	129.4 Å²	129.4	66%	0.657	77%	0.765	S	S	*	*			cis	-174.7	-179.3	-25.6	62.3	0	0	0	0	107.9
643	T	29.9	Very low	30.7	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	77%	0.768	S	S	*	*			cis	-165.6	153.9	2.7	-11	0	0	0	0	110.6
644	A	29	Very low	30.5	Very low	94 Å²	94	129.9 Å²	129.9	78%	0.777	77%	0.766	S	S	*	*			trans	62.6	152.3	151.9	0	0	0	0	0	121.1
645	S	34.7	Very low	31.5	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	76%	0.757	S	S	*	*			cis	-169.2	-162.1	-18.4	61.3	0	0	0	0	106.7
646	S	34.4	Very low	31.4	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	76%	0.758	S	S	*	*			cis	-175.7	162.9	-10.9	30.8	0	0	0	0	106.1
647	G	28.9	Very low	31.2	Very low	62 Å²	62	126.1 Å²	126.1	64%	0.639	76%	0.755	S	S	*	*			cis	164.7	160	-3.1	0	0	0	0	0	111.5
648	D	33	Very low	31	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	76%	0.758	S	S	*	*			trans	66.1	156.9	155.4	-58.8	-33.5	0	0	0	122.9
649	Q	32.5	Very low	32	Very low	146 Å²	146	125.5 Å²	125.5	68%	0.682	75%	0.753	S	S	*	*			cis	-164.4	143.5	-29.4	-109.8	178.9	59.6	0	0	113.8
650	I	33.3	Very low	31.8	Very low	138 Å²	138	127.5 Å²	127.5	71%	0.708	76%	0.755	S	S	*	*			trans	41.7	131.2	133.8	-59.4	170.7	0	0	0	123.2
651	M	28.3	Very low	31	Very low	177 Å²	177	128.6 Å²	128.6	87%	0.872	77%	0.765	S	S	*	*				-179.5	139.7	117.6	-97.3	-155.5	-160.4	0	0	117.4
652	A	29.1	Very low	31	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	77%	0.766	S	S	*	*			trans	53.3	149.9	144.9	0	0	0	0	0	123.1
653	S	25.8	Very low	31.8	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	77%	0.77	S	S	*	*			cis	-171	134.2	-16.2	53.4	0	0	0	0	114.2
654	S	28.5	Very low	31.6	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	77%	0.774	S	S	*	*			trans	42.3	159.6	131.3	-62.5	0	0	0	0	124.8
655	P	50	Low	32.4	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	77%	0.773	S	S	*	*			cis	-148.9	168.5	-33.2	41	-22.6	0	0	0	118.8
656	K	26.3	Very low	32.1	Very low	196 Å²	196	137.6 Å²	137.6	85%	0.852	78%	0.775	S	S	*	*			trans	71.4	179.4	153.7	-74	168.3	-178	177.6	0	116.6
657	V	28	Very low	32.5	Very low	129 Å²	129	138 Å²	138	78%	0.782	78%	0.776	S	S	*	*			cis	-144.1	-138.7	23.1	-147.9	0	0	0	0	115.7
658	H	25.1	Very low	32.6	Very low	172 Å²	172	143.2 Å²	143.2	80%	0.796	78%	0.783	S	S	*	*			trans	-169.5	177.6	-159	-114.4	23	0	0	0	110.8
659	P	47.2	Very low	33.3	Very low	111 Å²	111	142.4 Å²	142.4	72%	0.721	79%	0.785	S	S	*	*			cis	-139.4	-172.2	1.9	38.1	-15.5	0	0	0	118
660	K	25.9	Very low	33.3	Very low	197 Å²	197	144 Å²	144	86%	0.857	79%	0.793	S	S	*	*			trans	-34.6	150.7	173.2	-48	168.3	179.9	178.2	0	122
661	S	27.7	Very low	33.9	Very low	121 Å²	121	143.6 Å²	143.6	85%	0.846	80%	0.799	S	S	*	*				-176.2	170.2	120.1	59.4	0	0	0	0	114.6
662	Q	25.5	Very low	34	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	80%	0.797	S	S	*	*			trans	-116.4	-175	176.9	-52.2	171.5	-72.8	0	0	109.9
663	P	44.4	Very low	34.9	Very low	115 Å²	115	144 Å²	144	75%	0.747	79%	0.792	S	S	*	*			cis	-136.1	-167.9	-4.2	40.2	-18.7	0	0	0	116.3
664	H	26.4	Very low	35.2	Very low	182 Å²	182	148 Å²	148	84%	0.843	80%	0.799	S	S	*	*			trans	-6.7	165	158.9	-79.6	-57.8	0	0	0	123.3
665	P	45.6	Very low	35.2	Very low	117 Å²	117	147.9 Å²	147.9	76%	0.76	80%	0.798	S	S	*	*			cis	-137.9	-162.2	-10.1	36.5	-13.5	0	0	0	115.9
666	Q	28.1	Very low	34.4	Very low	172 Å²	172	150.9 Å²	150.9	80%	0.804	80%	0.803	S	S	*	*			trans	-61.6	159.5	173.1	-94.8	-179.8	-14.1	0	0	115.5
667	P	42.6	Very low	35.5	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	80%	0.801	S	S	*	*				-154.5	-170.5	72.5	42.3	-20.1	0	0	0	119.3
668	H	30.8	Very low	35.6	Very low	171 Å²	171	149.5 Å²	149.5	79%	0.792	80%	0.802	S	S	*	*			trans	-70.8	-175.9	172.4	-68.3	-78.9	0	0	0	114.1
669	P	48	Very low	35.8	Very low	125 Å²	125	147.4 Å²	147.4	81%	0.812	81%	0.806	S	S	*	*			cis	-140	-165.6	6.9	41.5	-19.3	0	0	0	117.8
670	Q	33.6	Very low	35.1	Very low	181 Å²	181	150.5 Å²	150.5	85%	0.846	81%	0.811	S	S	*	*			trans	-75.9	164.3	171.2	-99.1	179.1	-10	0	0	113.9
671	P	44.2	Very low	36.2	Very low	128 Å²	128	147 Å²	147	83%	0.831	81%	0.808	S	S	*	*				-154.2	-163.8	74.8	41.5	-18	0	0	0	119
672	Q	31.8	Very low	36.2	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	81%	0.806	S	S	*	*			trans	-83.4	-168.6	-171.4	-65	-173.4	-25	0	0	114.8
673	P	48	Very low	36.4	Very low	99 Å²	99	147.6 Å²	147.6	64%	0.643	80%	0.802	S	S	*	*			cis	-151.2	177.4	12.3	45.8	-24.5	0	0	0	122.2
674	Q	32.2	Very low	35.7	Very low	186 Å²	186	150.5 Å²	150.5	87%	0.869	81%	0.805	S	S	*	*			trans	67.7	156.6	148.8	-82.3	170.3	12	0	0	120.8
675	S	28.8	Very low	35.8	Very low	112 Å²	112	151 Å²	151	78%	0.783	81%	0.808	S	S	*	*			cis	-156.8	179.2	2.9	50.5	0	0	0	0	115.6
676	H	32.3	Very low	35.4	Very low	165 Å²	165	153.6 Å²	153.6	76%	0.764	81%	0.81	S	S	*	*			trans	-29.8	175.1	173.8	-89.1	-56.4	0	0	0	123.3
677	P	49.2	Very low	36.1	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	81%	0.81	S	S	*	*			cis	-141.4	-162	30.2	42.4	-20.1	0	0	0	119
678	Q	30.6	Very low	35.7	Very low	170 Å²	170	153.5 Å²	153.5	79%	0.794	81%	0.809	S	S	*	*			trans	-131.4	165.7	-174	-58.4	170.3	-88.9	0	0	114.1
679	S	28.1	Very low	36.7	Very low	128 Å²	128	151.1 Å²	151.1	90%	0.895	81%	0.809	S	S	*	*			trans	-178.1	175.9	137.2	34.3	0	0	0	0	114.8
680	H	33.3	Very low	36.6	Very low	177 Å²	177	151.2 Å²	151.2	82%	0.819	81%	0.809	S	S	*	*			trans	-112.8	179.7	-163.5	-102.9	-54.9	0	0	0	113
681	P	49.5	Very low	36.4	Very low	123 Å²	123	147.6 Å²	147.6	80%	0.799	80%	0.804	S	S	*	*			cis	-147.6	-149.8	40.5	43.5	-19.1	0	0	0	118.1
682	Q	28.1	Very low	35.6	Very low	169 Å²	169	150.6 Å²	150.6	79%	0.79	81%	0.809	S	S	*	*			trans	-109.2	170.4	-160.2	-46.9	163.4	-66.9	0	0	115.5
683	L	29.2	Very low	35.4	Very low	150 Å²	150	146.5 Å²	146.5	79%	0.785	81%	0.806	S	S	*	*				171	165.5	111.2	-101.4	153.3	0	0	0	117.8
684	H	29	Very low	35.6	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.815	81%	0.811	S	S	*	*			trans	89.9	155	163.2	-86.5	72.2	0	0	0	122.5
685	Q	29.2	Very low	35.8	Very low	194 Å²	194	144.9 Å²	144.9	91%	0.907	81%	0.809	S	S	*	*			trans	-129.6	175.2	-158.9	-73.4	-178.1	-32.9	0	0	114.9
686	Q	37.7	Very low	36.4	Very low	170 Å²	170	144.8 Å²	144.8	79%	0.794	81%	0.805	S	S	*	*			trans	-85.7	172	-174.4	-54.4	173.8	-75.5	0	0	115
687	P	42.3	Very low	36.3	Very low	125 Å²	125	144.5 Å²	144.5	81%	0.812	81%	0.809	S	S	*	*				-146.7	-177.5	100.3	37.1	-19.1	0	0	0	117.2
688	H	33.7	Very low	35.3	Very low	170 Å²	170	145 Å²	145	79%	0.787	81%	0.809	S	S	*	*			trans	-73.3	178.8	176.4	-61.7	-78.8	0	0	0	113.8
689	P	51.7	Low	35.5	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	81%	0.805	S	S	*	*			cis	-131.9	-143.2	18.7	40.3	-16	0	0	0	112.4
690	P	46.7	Very low	36.1	Very low	127 Å²	127	143.9 Å²	143.9	83%	0.825	80%	0.803	S	S	*	*			cis	-132.2	-133.5	-7	43	-20.7	0	0	0	115.3
691	S	29.6	Very low	36	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	80%	0.803	S	S	*	*			trans	-157.5	160.8	-171.6	67.9	0	0	0	0	114.6
692	M	27.7	Very low	35.1	Very low	192 Å²	192	142.3 Å²	142.3	95%	0.946	80%	0.801	S	S	*	*			trans	169.6	-179.9	138.8	-95.2	-164.5	-177.5	0	0	114.5
693	A	26.6	Very low	35.1	Very low	92 Å²	92	143 Å²	143	76%	0.76	81%	0.805	S	S	*	*			trans	-126.9	-152.9	-173.4	0	0	0	0	0	112.4
694	P	53.3	Low	35.7	Very low	115 Å²	115	147.2 Å²	147.2	75%	0.747	81%	0.81	S	S	*	*				-126.2	163.4	-79.2	36.9	-22.4	0	0	0	116.9
695	V	34.8	Very low	36.2	Very low	137 Å²	137	144.8 Å²	144.8	83%	0.83	81%	0.81	S	S	*	*			trans	65.7	128.6	154.1	169.1	0	0	0	0	118.3
696	P	41.9	Very low	36.3	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	80%	0.8	S	S	*	*				-162.3	159.1	103.2	40.5	-18.7	0	0	0	121.7
697	L	30.3	Very low	36.1	Very low	159 Å²	159	138.5 Å²	138.5	83%	0.832	80%	0.802	S	S	*	*			trans	71.4	121.6	139.9	-67.1	162.1	0	0	0	126.3
698	V	28.5	Very low	35.6	Very low	135 Å²	135	138.1 Å²	138.1	82%	0.818	80%	0.802	S	S	*	*				90.9	151	124.5	169	0	0	0	0	123.7
699	M	35.3	Very low	35.4	Very low	147 Å²	147	134 Å²	134	72%	0.724	81%	0.805	S	S	*	*			trans	-92.2	177.9	-172.2	-52	167.2	67.5	0	0	114.4
700	P	40.7	Very low	34.4	Very low	129 Å²	129	132 Å²	132	84%	0.838	81%	0.807	S	S	*	*				-141.2	-166.7	108.8	40.6	-27.9	0	0	0	115.6
701	L	30.9	Very low	33.6	Very low	156 Å²	156	129.4 Å²	129.4	82%	0.817	80%	0.804	S	S	*	*			trans	-116	175.4	-171.3	-82.6	157.3	0	0	0	113.3
702	S	30.9	Very low	33.7	Very low	110 Å²	110	135 Å²	135	77%	0.769	82%	0.815	S	S	*	*			trans	77.7	147.7	169.9	-107.9	0	0	0	0	116.5
703	E	27.8	Very low	33.9	Very low	185 Å²	185	134 Å²	134	86%	0.864	81%	0.812	S	S	*	*			cis	-133	-179	8.5	-64.1	-166.6	121.1	0	0	114.2
704	R	40.7	Very low	34.2	Very low	237 Å²	237	135 Å²	135	89%	0.894	81%	0.814	S	S	*	*			trans	-89.1	172.9	171.1	-94.7	-179.5	175.3	-178.4	-0.6	110.8
705	P	40.6	Very low	33.5	Very low	126 Å²	126	135.4 Å²	135.4	82%	0.818	82%	0.817	S	S	*	*			cis	-146	176.4	25.7	43	-23.5	0	0	0	118.8
706	G	29.7	Very low	33.6	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	82%	0.815	S	S	*	*			trans	121.5	101.5	137.7	0	0	0	0	0	120.7
707	I	34.7	Very low	33	Very low	165 Å²	165	140.5 Å²	140.5	85%	0.846	82%	0.824	S	S	*	*			trans	28.2	114.2	140.7	-22.9	-179.6	0	0	0	117.4
708	S	31.3	Very low	33.2	Very low	116 Å²	116	144 Å²	144	81%	0.811	83%	0.826	S	S	*	*				-167.3	159.8	78.3	-63.5	0	0	0	0	113.1
709	G	29.7	Very low	33.4	Very low	83 Å²	83	144.5 Å²	144.5	86%	0.856	83%	0.825	S	S	*	*			trans	-84.3	-178.9	-176.7	0	0	0	0	0	115.3
710	G	30.8	Very low	33.7	Very low	79 Å²	79	143 Å²	143	81%	0.814	83%	0.826	S	S	*	*			cis	-169.8	164.7	0.9	0	0	0	0	0	112.5
711	G	29.6	Very low	33.6	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	82%	0.823	S	S	*	*			trans	-112.1	142.4	-177.5	0	0	0	0	0	113.1
712	F	32.1	Very low	33.9	Very low	223 Å²	223	141.3 Å²	141.3	98%	0.978	82%	0.824	S	S	*	*			trans	-78	129.5	169	-87.3	-98.8	0	0	0	110.3
713	L	32.2	Very low	34.2	Very low	169 Å²	169	140.7 Å²	140.7	89%	0.885	83%	0.826	S	S	*	*			trans	-118.5	142.7	169.6	-76.6	170.5	0	0	0	109.6
714	S	32.2	Very low	34.6	Very low	113 Å²	113	140 Å²	140	79%	0.79	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.3	149.3	173.6	-55.3	0	0	0	0	111.5
715	P	37.8	Very low	34.1	Very low	124 Å²	124	133.7 Å²	133.7	81%	0.805	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73	149.2	-176.5	30	-35.7	0	0	0	112.8
716	P	37.2	Very low	33.7	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-80.6	159.7	177	33.5	-35.7	0	0	0	113.2
717	Y	30	Very low	34	Very low	231 Å²	231	141.3 Å²	141.3	91%	0.906	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-63.8	160.4	171.9	-133.2	-107	0	0	0	112.1
718	R	34.4	Very low	34	Very low	232 Å²	232	139.7 Å²	139.7	88%	0.875	83%	0.834	S	S	*	*			trans	-147.3	134.3	177.6	-150.1	-177.5	-162.2	-149.2	4.5	111.8
719	D	33.4	Very low	33.9	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-71.3	152.6	-176.3	-57.7	-65.9	0	0	0	114
720	P	41.3	Very low	33.9	Very low	116 Å²	116	144.1 Å²	144.1	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.3	148.2	178.6	31.7	-35.5	0	0	0	113
721	P	38.1	Very low	34	Very low	120 Å²	120	149.9 Å²	149.9	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.9	154.5	178	33.6	-35.5	0	0	0	113
722	P	36.5	Very low	34	Very low	129 Å²	129	153.6 Å²	153.6	84%	0.838	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75	149.5	177.1	31.8	-35.8	0	0	0	112.6
723	A	38.8	Very low	33.8	Very low	96 Å²	96	151.6 Å²	151.6	79%	0.793	81%	0.812	S	S	*	*			trans	-86.4	111.5	178.2	0	0	0	0	0	112.1
724	N	34.5	Very low	33.7	Very low	172 Å²	172	148.5 Å²	148.5	92%	0.92	80%	0.804	S	S	*	*			trans	-177.8	99.2	154	-98.5	-31.7	0	0	0	112.2
725	A	30.9	Very low	33.6	Very low	104 Å²	104	147.1 Å²	147.1	86%	0.86	80%	0.8	S	S	*	*			trans	-168.2	153.2	160.1	0	0	0	0	0	111.8
726	V	32.6	Very low	33.2	Very low	146 Å²	146	147.8 Å²	147.8	89%	0.885	80%	0.797	S	S	*	*			trans	-115.8	158.6	177.8	175.9	0	0	0	0	110.7
727	R	36.1	Very low	32.8	Very low	207 Å²	207	148 Å²	148	78%	0.781	80%	0.796	S	S	*	*			trans	-60.4	165.8	-174.5	-52.5	-178	-175.1	-174	1.3	114.5
728	P	33.7	Very low	32.8	Very low	131 Å²	131	143 Å²	143	85%	0.851	79%	0.789	S	S	*	*				-131.4	-170.4	108.2	38.7	-31.3	0	0	0	114.8
729	L	30.8	Very low	32.7	Very low	132 Å²	132	136.4 Å²	136.4	69%	0.691	79%	0.785	S	S	*	*			trans	-129.4	167.7	-167.8	-92.5	165.9	0	0	0	113.1
730	Q	29.8	Very low	32.4	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	78%	0.783	S	S	*	*			trans	75.2	157.4	162.4	-115.9	64.3	1.4	0	0	115.7
731	R	31.3	Very low	31.9	Very low	200 Å²	200	138.5 Å²	138.5	76%	0.755	79%	0.785	S	S	*	*			cis	-164.6	128.8	23.5	-167.7	168.6	177.4	158.8	1.7	117.5
732	Q	30.4	Very low	31.4	Very low	151 Å²	151	138.6 Å²	138.6	71%	0.706	78%	0.779	S	S	*	*			trans	58.5	168.6	152.3	-61.3	179.4	-78.3	0	0	118.7
733	Q	27.7	Very low	31.1	Very low	181 Å²	181	143.5 Å²	143.5	85%	0.846	78%	0.781	S	S	*	*			cis	-150	172.4	25.4	-61.9	178	86.1	0	0	109.4
734	S	30.6	Very low	30.4	Very low	103 Å²	103	145 Å²	145	72%	0.72	78%	0.784	S	S	*	*			cis	-176.1	-177.7	-14.1	47.2	0	0	0	0	110.3
735	A	29.7	Very low	29.9	Very low	85 Å²	85	140.4 Å²	140.4	70%	0.702	78%	0.777	S	S	*	*			trans	74.7	147.2	157.6	0	0	0	0	0	120.4
736	D	29	Very low	29.7	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	78%	0.778	S	S	*	*			cis	-165.9	146.6	-27	-120.1	-41.5	0	0	0	115
737	T	30.1	Very low	30.7	Very low	128 Å²	128	141.3 Å²	141.3	79%	0.785	78%	0.775	S	S	*	*			trans	59.4	159.4	160.5	69.9	0	0	0	0	119.9
738	T	29.1	Very low	30.2	Very low	125 Å²	125	136.1 Å²	136.1	77%	0.767	78%	0.777	S	S	*	*			cis	-137.1	143.1	1.3	46.9	0	0	0	0	113.4
739	A	32.2	Very low	29.9	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	77%	0.772	S	S	*	*			trans	27.3	153.4	132.8	0	0	0	0	0	123.1
740	V	27.1	Very low	29.5	Very low	124 Å²	124	134.6 Å²	134.6	75%	0.752	78%	0.779	S	S	*	*			cis	-144.7	123.8	18.3	-178.5	0	0	0	0	108.4
741	K	30.5	Very low	29.3	Very low	183 Å²	183	130.3 Å²	130.3	80%	0.796	77%	0.767	S	S	*	*				55.2	135.9	92.2	-113.9	-178.7	179.6	174.9	0	114.5
742	N	28.6	Very low	29.2	Very low	122 Å²	122	127.2 Å²	127.2	65%	0.652	77%	0.77	S	S	*	*			cis	-152.1	-178.8	22.9	-51.2	-99.3	0	0	0	108.7
743	R	29.2	Very low	29.2	Very low	231 Å²	231	127.7 Å²	127.7	87%	0.872	77%	0.77	S	S	*	*			cis	-144	-140.1	-1.5	-149.8	165.3	179	-176.4	-3	112.7
744	C	24	Very low	29.1	Very low	129 Å²	129	126.8 Å²	126.8	87%	0.872	77%	0.771	S	S	*	*			trans	-150	162.9	-159.3	-54.9	0	0	0	0	115
745	G	24	Very low	29	Very low	75 Å²	75	126.2 Å²	126.2	77%	0.773	77%	0.772	S	S	*	*			trans	-172.1	127.3	164.1	0	0	0	0	0	115.7
746	T	27.7	Very low	29.1	Very low	143 Å²	143	133.5 Å²	133.5	88%	0.877	78%	0.782	S	S	*	*			trans	-158.1	176.5	172.7	52.1	0	0	0	0	107.9
747	P	52.9	Low	29.1	Very low	125 Å²	125	132.4 Å²	132.4	81%	0.812	78%	0.78	S	S	*	*			cis	-129.1	171.8	-27	36.2	-19.9	0	0	0	114.5
748	A	25.4	Very low	29	Very low	99 Å²	99	136 Å²	136	82%	0.818	78%	0.78	S	S	*	*			trans	-163.3	149.2	154	0	0	0	0	0	109.5
749	A	26.8	Very low	28.7	Very low	91 Å²	91	134.9 Å²	134.9	75%	0.752	78%	0.777	S	S	*	*			cis	119.3	154.4	4	0	0	0	0	0	113.5
750	V	23.9	Very low	28.6	Very low	139 Å²	139	134.6 Å²	134.6	84%	0.842	77%	0.766	S	S	*	*			trans	74.6	119.4	-169.4	-170.5	0	0	0	0	113.6
751	S	25.8	Very low	28.5	Very low	70 Å²	70	135.8 Å²	135.8	49%	0.49	77%	0.768	S	S	.	*			cis	90.5	96.7	-0.7	150.8	0	0	0	0	120.8	K753	S751-K753 WeakPolarHBondContact OG-CD 3.34Å; S751-K753 WeakPolarHBondContact OG-CE 3.35Å; S751-K753 PolarHBondContact OG-NZ 3.36Å
752	V	28.3	Very low	28.5	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	77%	0.768	S	S	*	*			trans	-148.9	137.1	146.8	-178	0	0	0	0	107.4
753	K	29.6	Very low	28.9	Very low	162 Å²	162	134.7 Å²	134.7	70%	0.704	78%	0.776	S	S	*	*			cis	103	85.5	-1.8	-58	174.5	171.4	162.2	0	119.3	S751	S751-K753 WeakPolarHBondContact OG-CD 3.34Å; S751-K753 WeakPolarHBondContact OG-CE 3.35Å; S751-K753 PolarHBondContact OG-NZ 3.36Å
754	N	26.3	Very low	28.9	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	78%	0.777	S	S	*	*			trans	-161	124.3	145.6	-89.6	-23.6	0	0	0	107.1
755	A	29.3	Very low	29.1	Very low	91 Å²	91	135 Å²	135	75%	0.752	77%	0.774	S	S	*	*			cis	73.3	134.5	21.4	0	0	0	0	0	113.8
756	R	30.8	Very low	29.1	Very low	238 Å²	238	143.6 Å²	143.6	90%	0.898	78%	0.784	S	S	*	*			cis	-146.5	-177.8	31.5	-79	177	165.1	179.9	-5.2	110.3
757	V	28.6	Very low	29	Very low	115 Å²	115	141.8 Å²	141.8	70%	0.697	78%	0.777	S	S	*	*			cis	-177.4	154.6	-20.2	149.7	0	0	0	0	104.1
758	Y	28.5	Very low	27.7	Very low	202 Å²	202	143.4 Å²	143.4	79%	0.792	78%	0.779	S	S	*	*			cis	-117.1	-135.7	15.9	-132.8	-45	0	0	0	111.6	V760	Y758-V760 HydrophobicContact CD1-CB 4.36Å; Y758-V760 HydrophobicContact CD1-CG2 3.57Å; Y758-V760 HydrophobicContact CE1-CG2 3.47Å; Y758-V760 VanDerWaalsContact CE1-CG2 3.47Å; Y758-V760 HydrophobicContact CG-CG2 4.39Å
759	S	23.8	Very low	29	Very low	102 Å²	102	144 Å²	144	71%	0.713	78%	0.775	S	S	*	*			cis	-156.2	155	6.8	-149.6	0	0	0	0	107.5
760	V	29.9	Very low	30.1	Very low	88 Å²	88	144.9 Å²	144.9	53%	0.533	77%	0.772	S	S	.	*			cis	76	122.9	25.1	-175.7	0	0	0	0	112.8	Y758	Y758-V760 HydrophobicContact CD1-CB 4.36Å; Y758-V760 HydrophobicContact CD1-CG2 3.57Å; Y758-V760 HydrophobicContact CE1-CG2 3.47Å; Y758-V760 VanDerWaalsContact CE1-CG2 3.47Å; Y758-V760 HydrophobicContact CG-CG2 4.39Å
761	D	23.6	Very low	30.3	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	78%	0.775	S	S	*	*			cis	-125.4	156.9	10.7	-105.5	-46.1	0	0	0	115.2
762	I	32.1	Very low	30.2	Very low	156 Å²	156	155.5 Å²	155.5	80%	0.8	79%	0.794	S	S	*	*			trans	-146.5	136.2	170.8	-62	178.1	0	0	0	109.5
763	P	36	Very low	31.3	Very low	125 Å²	125	153.8 Å²	153.8	81%	0.812	79%	0.786	S	S	*	*			trans	-87.2	150.9	172.7	34.8	-33.9	0	0	0	113.7
764	E	28.7	Very low	31.2	Very low	190 Å²	190	152 Å²	152	89%	0.888	79%	0.788	S	S	*	*			trans	-111.9	-175.9	-165.3	-141	-178.7	-178.2	0	0	115.3
765	Q	29.4	Very low	31.2	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.822	79%	0.785	S	S	*	*			trans	-70.5	157.7	-168.9	-58.4	174.7	-17.8	0	0	115.8
766	R	23.1	Very low	31.1	Very low	256 Å²	256	157.6 Å²	157.6	97%	0.966	79%	0.791	S	S	*	*			trans	-165	143.7	138.4	-117	172.9	-176	-178.1	2	114.7
767	S	26.1	Very low	30.9	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	79%	0.789	S	S	*	*			trans	-159.3	132.6	169.1	55.4	0	0	0	0	109.8
768	D	25.7	Very low	31.1	Very low	158 Å²	158	150.4 Å²	150.4	85%	0.845	80%	0.795	S	S	*	*			trans	164.2	169.9	160.9	-101.7	-7.3	0	0	0	112.3
769	P	53.1	Low	32.1	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	80%	0.796	S	S	*	*			cis	-121.3	-94.2	-20.6	22	2.2	0	0	0	115.2
770	P	49.8	Very low	32.5	Very low	108 Å²	108	146 Å²	146	70%	0.701	80%	0.796	S	S	*	*			trans	-135.9	171.1	-146.5	42.3	-21.6	0	0	0	118.5
771	K	27.6	Very low	32.4	Very low	209 Å²	209	148.3 Å²	148.3	91%	0.909	81%	0.81	S	S	*	*			trans	-167.3	152	139.9	-109.4	167.8	-173.5	179.2	0	114.5
772	Y	23.8	Very low	32.5	Very low	224 Å²	224	147.4 Å²	147.4	88%	0.878	81%	0.814	S	S	*	*			trans	-105.3	-176	176.7	-94.3	-77.9	0	0	0	110.2
773	P	51.2	Low	32.3	Very low	99 Å²	99	143.7 Å²	143.7	64%	0.643	81%	0.814	S	S	*	*			cis	-138.5	-172.7	-18.5	28.2	-4.3	0	0	0	115.8
774	T	28.5	Very low	32.1	Very low	124 Å²	124	141.2 Å²	141.2	76%	0.761	81%	0.811	S	S	*	*			trans	69	157	149	30.7	0	0	0	0	119.6
775	E	25.7	Very low	32.2	Very low	172 Å²	172	141.3 Å²	141.3	80%	0.804	81%	0.814	S	S	*	*			cis	-124.6	150.6	6	-71.8	-165.6	114.9	0	0	111
776	K	26.5	Very low	32.2	Very low	199 Å²	199	137 Å²	137	87%	0.865	82%	0.817	S	S	*	*				53.4	120.8	73.1	-87	-173.6	178.3	-178.3	0	115.9
777	G	26.4	Very low	32.7	Very low	83 Å²	83	128.8 Å²	128.8	86%	0.856	81%	0.811	S	S	*	*			trans	171.3	67.5	174.6	0	0	0	0	0	118.6
778	S	33.4	Very low	33.1	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	82%	0.822	S	S	*	*			trans	-125	163.5	158.9	-57.1	0	0	0	0	106.8
779	P	50.8	Low	33.3	Very low	126 Å²	126	126.6 Å²	126.6	82%	0.818	82%	0.822	S	S	*	*			cis	-152.4	-142.5	34.8	45.1	-21.5	0	0	0	114.9
780	A	30.6	Very low	32.3	Very low	86 Å²	86	124.1 Å²	124.1	71%	0.711	82%	0.817	S	S	*	*			trans	78.3	111.5	171	0	0	0	0	0	116.4
781	V	27.9	Very low	31.5	Very low	137 Å²	137	128.8 Å²	128.8	83%	0.83	83%	0.828	S	S	*	*			cis	104.5	143.4	21	-179.4	0	0	0	0	113.6
782	C	25.3	Very low	31.8	Very low	131 Å²	131	122.4 Å²	122.4	89%	0.885	82%	0.822	S	S	*	*			trans	86.5	128.4	-173.5	-61.7	0	0	0	0	115.3
783	G	29	Very low	32.2	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	82%	0.819	S	S	*	*			cis	161.9	161.9	-11.6	0	0	0	0	0	113.7
784	G	30.9	Very low	31.5	Very low	73 Å²	73	118.1 Å²	118.1	75%	0.753	83%	0.833	S	S	*	*			trans	93.4	120.2	156.6	0	0	0	0	0	119.6
785	M	31.5	Very low	31.7	Very low	192 Å²	192	115.8 Å²	115.8	95%	0.946	83%	0.833	S	S	*	*			trans	57.1	98.9	137.9	-64.3	161	65.4	0	0	121
786	G	30.2	Very low	32.1	Very low	86 Å²	86	111 Å²	111	89%	0.887	83%	0.83	S	S	*	*				80	154.9	98.6	0	0	0	0	0	121
787	G	32	Very low	32.2	Very low	83 Å²	83	108.3 Å²	108.3	86%	0.856	84%	0.835	S	S	*	*			trans	113.1	119.8	167.3	0	0	0	0	0	114.8
788	S	35	Very low	32.4	Very low	138 Å²	138	108.3 Å²	108.3	97%	0.965	84%	0.835	S	S	*	*			trans	-100.2	144.1	175.2	-59	0	0	0	0	112
789	G	30.4	Very low	32.3	Very low	81 Å²	81	111.4 Å²	111.4	84%	0.835	84%	0.842	S	S	*	*			trans	174.5	151.4	166.1	0	0	0	0	0	111.3
790	G	32.6	Very low	31.5	Very low	61 Å²	61	109.3 Å²	109.3	63%	0.629	84%	0.843	S	S	*	*			cis	159.6	127	-7.1	0	0	0	0	0	111.7
791	H	32.9	Very low	31.7	Very low	205 Å²	205	115.8 Å²	115.8	95%	0.949	86%	0.856	S	S	*	*			trans	63.2	161.2	-178.2	-49.8	-70.2	0	0	0	115.1
792	G	32.4	Very low	31.9	Very low	76 Å²	76	112.7 Å²	112.7	78%	0.784	85%	0.851	S	S	*	*			cis	146.5	155.2	-8.5	0	0	0	0	0	112.1
793	G	32.8	Very low	32.5	Very low	79 Å²	79	113.3 Å²	113.3	81%	0.814	85%	0.846	S	S	*	*			trans	112.1	80.6	165	0	0	0	0	0	118.4
794	V	35.8	Very low	32.9	Very low	154 Å²	154	116.6 Å²	116.6	93%	0.933	84%	0.844	S	S	*	*			trans	4.1	128.2	142.2	-173.5	0	0	0	0	119.6
795	G	32.8	Very low	33.4	Very low	74 Å²	74	120.3 Å²	120.3	76%	0.763	85%	0.847	S	S	*	*				117.7	113.3	124.3	0	0	0	0	0	121.6
796	G	34.6	Very low	33.5	Very low	71 Å²	71	114.2 Å²	114.2	73%	0.732	83%	0.833	S	S	*	*				82.9	112	128	0	0	0	0	0	122.3
797	C	28.2	Very low	33.7	Very low	144 Å²	144	114.2 Å²	114.2	97%	0.973	83%	0.833	S	S	*	*			trans	60.6	127.4	142.4	-57.1	0	0	0	0	121.9
798	G	30.2	Very low	33.9	Very low	82 Å²	82	113.8 Å²	113.8	85%	0.845	83%	0.829	S	S	*	*			trans	154.5	130.1	156.1	0	0	0	0	0	116.8
799	N	33.4	Very low	34	Very low	183 Å²	183	113.5 Å²	113.5	98%	0.979	82%	0.821	S	S	*	*			trans	-75.3	150.1	-179.7	-70.1	-42.3	0	0	0	114.5
800	G	32.2	Very low	34.4	Very low	82 Å²	82	114.7 Å²	114.7	85%	0.845	82%	0.816	S	S	*	*			trans	-161.6	142.9	167.7	0	0	0	0	0	114
801	K	35.3	Very low	34.6	Very low	223 Å²	223	119 Å²	119	97%	0.97	82%	0.824	S	S	*	*			trans	-105.9	158.1	-169.5	-63.6	177.2	177.4	177.3	0	114.8
802	G	32.4	Very low	34.8	Very low	71 Å²	71	116 Å²	116	73%	0.732	82%	0.816	S	S	*	*			trans	153.3	90.4	157	0	0	0	0	0	113.5
803	N	38.3	Very low	34.7	Very low	145 Å²	145	115.2 Å²	115.2	78%	0.775	81%	0.807	S	S	*	*				67.2	111.9	77.5	-151.6	41.1	0	0	0	112.6
804	L	37.4	Very low	34.6	Very low	146 Å²	146	115.5 Å²	115.5	76%	0.764	81%	0.81	S	S	*	*				-165.2	176.7	67.9	-77.4	162	0	0	0	109.5
805	N	41.2	Very low	34.3	Very low	150 Å²	150	112 Å²	112	80%	0.802	81%	0.806	S	S	*	*			cis	-174.9	157	-31.6	179.8	37.3	0	0	0	109.9
806	G	33.7	Very low	34.2	Very low	65 Å²	65	118.1 Å²	118.1	67%	0.67	82%	0.817	S	S	*	*			trans	86	110.2	167.4	0	0	0	0	0	116.8
807	G	33.8	Very low	34	Very low	86 Å²	86	118.4 Å²	118.4	89%	0.887	82%	0.819	S	S	*	*			cis	94.4	136.4	-1.7	0	0	0	0	0	114.4
808	G	37	Very low	33.9	Very low	74 Å²	74	117.4 Å²	117.4	76%	0.763	81%	0.813	S	S	*	*			cis	-132.9	-117	1.3	0	0	0	0	0	112.4
809	V	37.2	Very low	33.8	Very low	131 Å²	131	121.3 Å²	121.3	79%	0.794	81%	0.814	S	S	*	*			cis	-161.5	133.7	0.5	-167.6	0	0	0	0	110.6
810	S	37.3	Very low	33.7	Very low	106 Å²	106	120.7 Å²	120.7	74%	0.741	81%	0.811	S	S	*	*			trans	56.3	145.6	159.6	-66.4	0	0	0	0	122
811	L	37.6	Very low	33.5	Very low	152 Å²	152	120.7 Å²	120.7	80%	0.796	81%	0.81	S	S	*	*			cis	-166.4	173.6	-6.8	-102.2	167.3	0	0	0	106.2
812	N	36.7	Very low	33.1	Very low	143 Å²	143	118.4 Å²	118.4	77%	0.765	81%	0.809	S	S	*	*			cis	-142.9	-158.5	4.3	-155.5	25.1	0	0	0	107.1
813	G	30.1	Very low	33	Very low	58 Å²	58	117.9 Å²	117.9	60%	0.598	80%	0.803	S	S	*	*			cis	99.1	126.6	-0.9	0	0	0	0	0	115.3
814	G	31	Very low	32.4	Very low	86 Å²	86	116.7 Å²	116.7	89%	0.887	81%	0.807	S	S	*	*			cis	167.2	177.3	-5	0	0	0	0	0	113.6
815	G	30.7	Very low	31.9	Very low	81 Å²	81	113 Å²	113	84%	0.835	80%	0.804	S	S	*	*			trans	132.9	141.5	165.2	0	0	0	0	0	117.5
816	M	30.8	Very low	31.1	Very low	202 Å²	202	112.6 Å²	112.6	100%	0.995	81%	0.811	S	S	*	*			trans	-92.1	160.6	172.2	-68.8	89.2	149.4	0	0	112.9
817	G	28.5	Very low	30.8	Very low	76 Å²	76	112.6 Å²	112.6	78%	0.784	81%	0.811	S	S	*	*			trans	-169.3	146.1	165.5	0	0	0	0	0	113.2
818	C	26.1	Very low	30.5	Very low	124 Å²	124	115.2 Å²	115.2	84%	0.838	81%	0.81	S	S	*	*			trans	-107.3	176.1	-178.2	-60.9	0	0	0	0	112.8
819	N	28.8	Very low	30.2	Very low	163 Å²	163	118.1 Å²	118.1	87%	0.872	81%	0.812	S	S	*	*			trans	104.6	144.1	157	-69.7	-13.1	0	0	0	119.9
820	N	31.1	Very low	29.7	Very low	171 Å²	171	115.3 Å²	115.3	91%	0.914	81%	0.81	S	S	*	*			trans	-58	143	163	-66.8	-29.7	0	0	0	111.3
821	G	28.7	Very low	29.8	Very low	81 Å²	81	116.2 Å²	116.2	84%	0.835	81%	0.813	S	S	*	*			trans	-143.2	103.2	167.1	0	0	0	0	0	110
822	N	27.3	Very low	29.4	Very low	175 Å²	175	112.2 Å²	112.2	94%	0.936	81%	0.809	S	S	*	*			trans	-94.5	126.9	179.8	-154.5	21.6	0	0	0	109.7
823	G	28.9	Very low	29	Very low	60 Å²	60	114.1 Å²	114.1	62%	0.619	81%	0.813	S	S	*	*			trans	-175.3	116.8	178.4	0	0	0	0	0	109.3
824	S	26.9	Very low	29	Very low	121 Å²	121	119.2 Å²	119.2	85%	0.846	82%	0.821	S	S	*	*			cis	73.4	114.7	25.9	101.5	0	0	0	0	114.1
825	G	27.3	Very low	29	Very low	69 Å²	69	121.9 Å²	121.9	71%	0.711	81%	0.811	S	S	*	*			trans	110	102.6	-170.3	0	0	0	0	0	111.6
826	C	24.5	Very low	28.8	Very low	140 Å²	140	126.2 Å²	126.2	95%	0.946	81%	0.809	S	S	*	*			cis	82.3	126.8	48.5	-57.3	0	0	0	0	114.6
827	G	26.3	Very low	28.5	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	79%	0.794	S	S	*	*			trans	129.8	108.7	-178.6	0	0	0	0	0	110.3
828	V	28	Very low	28.4	Very low	140 Å²	140	126.5 Å²	126.5	85%	0.848	79%	0.791	S	S	*	*			cis	55.4	125.6	45.8	-143.3	0	0	0	0	109.9
829	V	29.6	Very low	28.2	Very low	135 Å²	135	127.2 Å²	127.2	82%	0.818	78%	0.782	S	S	*	*			cis	-145.2	156.6	35.9	-165.7	0	0	0	0	111.9
830	G	27.6	Very low	27.9	Very low	73 Å²	73	126.1 Å²	126.1	75%	0.753	78%	0.781	S	S	*	*			trans	-142.9	120.5	162.2	0	0	0	0	0	113.7
831	P	40.4	Very low	27.7	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	77%	0.774	S	S	*	*			trans	-99.7	165.4	161.1	37.3	-30.6	0	0	0	111.4
832	G	27.3	Very low	27.9	Very low	68 Å²	68	127.5 Å²	127.5	70%	0.701	77%	0.77	S	S	*	*			cis	141.1	91.2	-7.3	0	0	0	0	0	114.4
833	Q	29.6	Very low	27.7	Very low	184 Å²	184	124.7 Å²	124.7	86%	0.86	76%	0.755	S	S	*	*			trans	-178.3	140.8	160.4	-100.8	156.5	11.7	0	0	107.7
834	Q	29.1	Very low	27.5	Very low	164 Å²	164	131.9 Å²	131.9	77%	0.766	77%	0.765	S	S	*	*			cis	76.6	131.7	36.3	-79.4	-179	-26.5	0	0	114.5
835	Q	31	Very low	27.6	Very low	143 Å²	143	134.2 Å²	134.2	67%	0.668	76%	0.762	S	S	*	*			cis	-161.8	-172.8	0.5	-150.9	158.7	-28.3	0	0	113
836	H	26	Very low	27.6	Very low	171 Å²	171	136 Å²	136	79%	0.792	76%	0.764	S	S	*	*			trans	87	119.2	176.5	-56.1	-82.8	0	0	0	115.9
837	H	24.8	Very low	27.7	Very low	147 Å²	147	133.9 Å²	133.9	68%	0.681	75%	0.75	S	S	*	*			cis	78.3	131.1	23.7	-151.7	33	0	0	0	111.9	E839	H837-E839 IonicContact CE1-OE2 3.47Å; H837-E839 PolarHBondContact CE1-OE2 2.73Å
838	L	26.5	Very low	27.8	Very low	137 Å²	137	139.3 Å²	139.3	72%	0.717	76%	0.758	S	S	*	*			cis	-122.1	159.1	23.3	-92.2	79.4	0	0	0	111.8
839	E	22.5	Very low	27.8	Very low	139 Å²	139	140.6 Å²	140.6	65%	0.65	76%	0.755	S	S	*	*			cis	100.8	116	34.5	-172	-171.5	174.6	0	0	114.3	H837	H837-E839 IonicContact CE1-OE2 3.47Å; H837-E839 PolarHBondContact CE1-OE2 2.73Å
840	V	23.1	Very low	27.7	Very low	141 Å²	141	144.9 Å²	144.9	86%	0.855	76%	0.756	S	S	*	*			trans	-161.7	128.7	141.2	174.6	0	0	0	0	109.3
841	Q	25.9	Very low	27.8	Very low	165 Å²	165	149.8 Å²	149.8	77%	0.771	76%	0.759	S	S	*	*			trans	-151.7	141	159.7	-168.7	-176.7	-1.1	0	0	109
842	P	32.5	Very low	27.3	Very low	116 Å²	116	149.5 Å²	149.5	75%	0.753	76%	0.76	S	S	*	*				-152	-171.8	125.5	39.2	-22.7	0	0	0	113.9
843	D	23.9	Very low	27.4	Very low	116 Å²	116	155.6 Å²	155.6	62%	0.62	77%	0.768	S	S	*	*				-162.2	-176.6	-70.7	-143.8	-38.1	0	0	0	110.3
844	Y	25.2	Very low	27.7	Very low	210 Å²	210	152.7 Å²	152.7	82%	0.824	77%	0.765	S	S	*	*			trans	79.6	116.1	-177.3	-70.5	-99.5	0	0	0	115.8
845	H	28.8	Very low	27.6	Very low	171 Å²	171	149.5 Å²	149.5	79%	0.792	77%	0.766	S	S	*	*				72	133.6	64.4	-81.4	67	0	0	0	114.4
846	S	26.6	Very low	27.4	Very low	107 Å²	107	150 Å²	150	75%	0.748	77%	0.773	S	S	*	*			cis	-158.1	173.5	-3	47	0	0	0	0	108.2
847	S	26.9	Very low	27.5	Very low	94 Å²	94	151.3 Å²	151.3	66%	0.657	77%	0.772	S	S	*	*			cis	-175.5	155.1	43.8	49.8	0	0	0	0	113.7
848	E	27.8	Very low	27.8	Very low	180 Å²	180	153.8 Å²	153.8	84%	0.841	78%	0.777	S	S	*	*			trans	57.7	137.4	150.1	-64.7	173.5	162.5	0	0	120.9
849	H	29.2	Very low	28	Very low	168 Å²	168	155.9 Å²	155.9	78%	0.778	78%	0.783	S	S	*	*			cis	75.8	137.8	25.6	-71.9	-22.3	0	0	0	117
850	R	27.5	Very low	28.2	Very low	224 Å²	224	155.8 Å²	155.8	85%	0.845	79%	0.787	S	S	*	*			cis	-165.2	155	-21.8	-157.2	178	-168.5	178.8	3.2	108.7
851	H	29.9	Very low	28.2	Very low	177 Å²	177	152.1 Å²	152.1	82%	0.819	78%	0.778	S	S	*	*			trans	-86.6	157.7	170.9	-58.6	-87.1	0	0	0	112.6
852	S	29.2	Very low	28.2	Very low	117 Å²	117	151.5 Å²	151.5	82%	0.818	78%	0.78	S	S	*	*				161.4	163.7	119.5	-84.4	0	0	0	0	116.3
853	F	29.4	Very low	27.8	Very low	197 Å²	197	155.1 Å²	155.1	86%	0.864	79%	0.787	S	S	*	*			trans	-60.8	169.3	172.7	-61.3	-103.6	0	0	0	115.1
854	P	36	Very low	28.1	Very low	123 Å²	123	154.6 Å²	154.6	80%	0.799	79%	0.792	S	S	*	*			trans	-117.2	140.1	145.3	36.5	-26.5	0	0	0	113.4
855	A	26.8	Very low	28.4	Very low	96 Å²	96	150.8 Å²	150.8	79%	0.793	79%	0.793	S	S	*	*			trans	-142.6	145.4	155	0	0	0	0	0	106.7
856	L	27.8	Very low	28.3	Very low	154 Å²	154	150.6 Å²	150.6	81%	0.806	80%	0.797	S	S	*	*			trans	-141.5	131.9	-176.1	-75.5	177.2	0	0	0	113.3
857	Y	27.1	Very low	29	Very low	198 Å²	198	151 Å²	151	78%	0.776	80%	0.797	S	S	*	*			trans	-96.9	162.6	157	-97.9	-110.7	0	0	0	109.5
858	Y	32.3	Very low	29.1	Very low	199 Å²	199	150.4 Å²	150.4	78%	0.78	80%	0.798	S	S	*	*			trans	-137.3	154.8	156.8	-96.6	-97.7	0	0	0	105.5
859	E	29.1	Very low	29.1	Very low	182 Å²	182	149.2 Å²	149.2	85%	0.85	79%	0.792	S	S	*	*			cis	-143.4	176.1	35.6	-88.3	-173.7	156	0	0	110.1
860	D	26.8	Very low	28.9	Very low	136 Å²	136	149.7 Å²	149.7	73%	0.727	79%	0.792	S	S	*	*			cis	-164.6	168.1	-20.9	175.5	38.9	0	0	0	107.2
861	G	23.9	Very low	28.7	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	79%	0.788	S	S	*	*			trans	-162.9	108.9	-179.7	0	0	0	0	0	115.4
862	N	25.1	Very low	28.5	Very low	152 Å²	152	139.7 Å²	139.7	81%	0.813	78%	0.782	S	S	*	*			trans	-55.8	139.2	177.9	-88.4	-60.2	0	0	0	115
863	E	25.8	Very low	28.4	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	78%	0.781	S	S	*	*				-155.6	163.3	119	-123.7	-178.6	-170.7	0	0	112.2
864	S	28.4	Very low	28.4	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	77%	0.772	S	S	*	*			trans	-156.1	147.4	-179.1	-75.1	0	0	0	0	111.5
865	P	32.1	Very low	28.1	Very low	131 Å²	131	142.7 Å²	142.7	85%	0.851	77%	0.773	S	S	*	*				-141.2	158.7	129.6	30.6	-13.5	0	0	0	116
866	L	27.5	Very low	28.9	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	77%	0.768	S	S	*	*			trans	-91.1	-174.4	173.2	-67.1	157.3	0	0	0	109.7
867	P	41.5	Very low	28.9	Very low	115 Å²	115	143.8 Å²	143.8	75%	0.747	77%	0.771	S	S	*	*			cis	-144.2	-178.4	6.4	44.4	-25.3	0	0	0	118.5
868	A	27.6	Very low	29	Very low	82 Å²	82	137.3 Å²	137.3	68%	0.678	76%	0.764	S	S	*	*			trans	91	113.1	138.5	0	0	0	0	0	124.5
869	Q	27.7	Very low	28.9	Very low	156 Å²	156	139.4 Å²	139.4	73%	0.729	77%	0.771	S	S	*	*			trans	81	130.5	130.9	-70.4	-168.2	31.8	0	0	125.1
870	K	25.7	Very low	28.9	Very low	178 Å²	178	136.2 Å²	136.2	77%	0.774	76%	0.764	S	S	*	*			trans	77.7	82.1	138.6	-72.8	170.6	178.6	153.8	0	122.5
871	A	23.5	Very low	29.1	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	77%	0.766	S	S	*	*				17.4	139.5	121.3	0	0	0	0	0	123.9
872	S	25.9	Very low	29.5	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	77%	0.767	S	S	*	*			trans	99.2	160.2	132.4	76.4	0	0	0	0	122
873	F	26.3	Very low	29.7	Very low	184 Å²	184	142.8 Å²	142.8	81%	0.807	76%	0.757	S	S	*	*			trans	78.7	144.1	-179.4	-71	-104.8	0	0	0	119.2
874	L	29.8	Very low	30.1	Very low	127 Å²	127	137.6 Å²	137.6	67%	0.665	75%	0.747	S	S	*	*			cis	-168.4	114.5	-44.3	-123.6	173.2	0	0	0	114.1
875	K	28.6	Very low	30.2	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.826	75%	0.753	S	S	*	*			trans	58.1	-179.6	152.5	-91.6	-179.3	-179.5	171.3	0	118.9
876	P	44.8	Very low	30	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	74%	0.742	S	S	*	*			cis	-109.9	-169.6	-7.4	28.8	-7.3	0	0	0	112.2
877	L	27.3	Very low	30	Very low	165 Å²	165	134.4 Å²	134.4	86%	0.864	74%	0.736	S	S	*	*			cis	-123.1	-170.2	3.2	-88.2	91	0	0	0	109.5
878	G	28.8	Very low	29.4	Very low	62 Å²	62	138.8 Å²	138.8	64%	0.639	74%	0.739	S	S	*	*			cis	134.8	118.7	-14.8	0	0	0	0	0	115.5
879	R	30.4	Very low	29.3	Very low	244 Å²	244	139.6 Å²	139.6	92%	0.921	74%	0.74	S	S	*	*			trans	73.1	138.5	179	-67.4	-171.2	170.9	169.9	-1.5	116.2
880	T	29.8	Very low	29.5	Very low	114 Å²	114	141 Å²	141	70%	0.699	75%	0.746	S	S	*	*			cis	-156.4	144.1	3.6	-5	0	0	0	0	113.7
881	K	31.1	Very low	29.6	Very low	177 Å²	177	140.7 Å²	140.7	77%	0.77	75%	0.752	S	S	*	*			trans	57.7	149.2	152	-81.1	-175	167.4	179.2	0	118.6
882	R	32.4	Very low	29.6	Very low	185 Å²	185	141.8 Å²	141.8	70%	0.698	75%	0.754	S	S	*	*			cis	-174.1	157.4	-15.7	-119.2	-175.5	169.9	-167.1	-22.4	105.7
883	E	29.4	Very low	30.1	Very low	130 Å²	130	143.4 Å²	143.4	61%	0.607	76%	0.763	S	S	*	*			cis	-158.6	154.7	-5.2	-155	144	-135.8	0	0	108
884	A	33.2	Very low	30.3	Very low	83 Å²	83	139 Å²	139	69%	0.686	76%	0.76	S	S	*	*			trans	28.8	143.5	150.1	0	0	0	0	0	121.7
885	T	30.5	Very low	30.3	Very low	136 Å²	136	144.1 Å²	144.1	83%	0.834	77%	0.771	S	S	*	*			cis	-171.2	173.1	7.5	5.4	0	0	0	0	106.7
886	A	28.1	Very low	30.2	Very low	76 Å²	76	144.4 Å²	144.4	63%	0.628	77%	0.774	S	S	*	*			cis	-152.4	175.2	0	0	0	0	0	0	105.9
887	T	26.9	Very low	29.4	Very low	121 Å²	121	147.7 Å²	147.7	74%	0.742	78%	0.78	S	S	*	*			cis	72	127.9	23	66.9	0	0	0	0	115.8
888	Y	28.8	Very low	29.3	Very low	208 Å²	208	146 Å²	146	82%	0.816	77%	0.772	S	S	*	*			cis	-161.9	167.5	16.9	-153.5	-127.5	0	0	0	114.8
889	S	25.8	Very low	29.3	Very low	99 Å²	99	152 Å²	152	69%	0.692	78%	0.776	S	S	*	*			trans	64.9	141.8	149.7	49.4	0	0	0	0	123.8
890	Q	32.3	Very low	29.1	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	77%	0.769	S	S	*	*			trans	-69.4	161.1	161.5	-55.6	162	-27.7	0	0	112.1
891	L	26.8	Very low	28.9	Very low	172 Å²	172	147.5 Å²	147.5	90%	0.901	78%	0.776	S	S	*	*			trans	-174.1	147.9	130.6	-104.6	164	0	0	0	111.1
892	S	25.1	Very low	28.6	Very low	113 Å²	113	142 Å²	142	79%	0.79	77%	0.769	S	S	*	*			trans	-114.6	138.6	173.3	-56	0	0	0	0	111
893	P	36.8	Very low	28.3	Very low	134 Å²	134	144.1 Å²	144.1	87%	0.87	78%	0.779	S	S	*	*			trans	-124.3	173	147.4	20.8	-0.8	0	0	0	111.8
894	A	28.7	Very low	28.1	Very low	91 Å²	91	142.6 Å²	142.6	75%	0.752	78%	0.782	S	S	*	*			trans	-110.5	161.3	-163.8	0	0	0	0	0	115.3
895	R	30	Very low	27.7	Very low	235 Å²	235	143.4 Å²	143.4	89%	0.887	78%	0.783	S	S	*	*			trans	48.7	122.6	158	-69.3	-178.4	175	-178.4	-1.4	119.1
896	H	26.7	Very low	28	Very low	196 Å²	196	142.7 Å²	142.7	91%	0.907	78%	0.784	S	S	*	*				-160.4	168.7	117.9	-109	-77.6	0	0	0	110.8
897	H	27.4	Very low	28.2	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.815	79%	0.787	S	S	*	*			trans	-98.1	153.8	-169.6	-87.2	-98.1	0	0	0	114.8
898	N	26.4	Very low	28.2	Very low	128 Å²	128	146.5 Å²	146.5	68%	0.684	79%	0.789	S	S	*	*				114.7	144.1	125.6	-118.4	-2.4	0	0	0	121.8
899	Y	27.7	Very low	28	Very low	189 Å²	189	148 Å²	148	74%	0.741	80%	0.795	S	S	*	*			trans	71.9	118.1	164.5	-76.4	-70.5	0	0	0	123.4
900	N	27.6	Very low	27.9	Very low	143 Å²	143	147.6 Å²	147.6	77%	0.765	79%	0.793	S	S	*	*			trans	9.7	135.4	144	-57	-11.2	0	0	0	118.3
901	S	25.8	Very low	27.7	Very low	120 Å²	120	144.3 Å²	144.3	84%	0.839	79%	0.79	S	S	*	*				175.2	143.8	64.6	-176.6	0	0	0	0	112.8
902	G	24.9	Very low	27.8	Very low	61 Å²	61	142.1 Å²	142.1	63%	0.629	78%	0.775	S	S	*	*			trans	73.1	149.8	144.1	0	0	0	0	0	120.2
903	Y	26.1	Very low	28	Very low	230 Å²	230	142 Å²	142	90%	0.902	77%	0.774	S	S	*	*			trans	64.2	121.3	178.2	-63.5	-87.9	0	0	0	114.3
904	S	24.5	Very low	27.8	Very low	98 Å²	98	140 Å²	140	69%	0.685	76%	0.76	S	S	*	*				93.6	148.9	54.6	-175.7	0	0	0	0	112.3
905	S	24	Very low	28	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	76%	0.759	S	S	*	*			trans	63.4	108.4	177.5	27	0	0	0	0	117.1
906	S	37.5	Very low	28.1	Very low	122 Å²	122	139.5 Å²	139.5	85%	0.853	75%	0.748	S	S	*	*			trans	-64.8	140.8	135.7	-52.2	0	0	0	0	109.2
907	P	32.2	Very low	28.3	Very low	106 Å²	106	136.4 Å²	136.4	69%	0.688	74%	0.737	S	S	*	*				-124.5	130.1	123.4	20.9	-5.2	0	0	0	109.2
908	E	26.8	Very low	28.3	Very low	170 Å²	170	139.1 Å²	139.1	79%	0.794	74%	0.74	S	S	*	*				59.5	107.9	78.3	-66.9	-169.6	155.8	0	0	113.3
909	Y	25.4	Very low	28.3	Very low	239 Å²	239	141.8 Å²	141.8	94%	0.937	75%	0.749	S	S	*	*			trans	-140.1	138.4	144.4	-134.3	-87.7	0	0	0	109.5
910	S	24.3	Very low	28.2	Very low	92 Å²	92	143.1 Å²	143.1	64%	0.643	75%	0.753	S	S	*	*			trans	-143.8	137.5	-155.6	-54.6	0	0	0	0	112.7
911	S	26.1	Very low	28.2	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	76%	0.755	S	S	*	*			trans	-166.4	107	161.9	54.3	0	0	0	0	105.8
912	E	29.2	Very low	28.3	Very low	125 Å²	125	151.2 Å²	151.2	58%	0.584	76%	0.759	S	S	*	*			cis	51.4	107.1	38.6	-165.6	172.7	-156.8	0	0	113.9	T914 R916	E912-T914 HydrophobicContact CG-CG2 4.5Å; E912-R916 IonicContact OE1-CZ 2.69Å; E912-R916 VanDerWaalsContact OE1-CZ 3.25Å; E912-R916 IonicContact OE1-NE 2.65Å; E912-R916 PolarHBondContact OE1-NE 3.03Å; E912-R916 IonicContact OE1-NH2 3.77Å; E912-R916 PolarHBondContact OE1-NH2 3.07Å; E912-R916 IonicContact OE2-NH2 2.89Å
913	S	30.2	Very low	28.5	Very low	110 Å²	110	154.5 Å²	154.5	77%	0.769	77%	0.769	S	S	*	*				174.9	151.8	108.4	39.5	0	0	0	0	110.6
914	T	31.5	Very low	28.5	Very low	93 Å²	93	154.6 Å²	154.6	57%	0.571	77%	0.77	S	S	*	*			cis	-159.9	170.3	-23.9	26.2	0	0	0	0	105.8	E912 R916	E912-T914 HydrophobicContact CG-CG2 4.5Å; T914-R916 HydrophobicContact CG2-CG 4.18Å
915	L	33	Very low	28.9	Very low	141 Å²	141	159.3 Å²	159.3	74%	0.738	78%	0.778	S	S	*	*			cis	-114.2	167.7	7.7	-80	82.2	0	0	0	110.5	I917	L915-I917 HydrophobicContact CD2-CD1 4.33Å
916	R	31.9	Very low	29.2	Very low	175 Å²	175	163.6 Å²	163.6	66%	0.66	78%	0.784	S	S	*	*			cis	95.8	155.3	16.1	-68.2	-172.3	172.6	-140.5	1.9	117.3	E912 T914	E912-R916 IonicContact OE1-CZ 2.69Å; E912-R916 VanDerWaalsContact OE1-CZ 3.25Å; E912-R916 IonicContact OE1-NE 2.65Å; E912-R916 PolarHBondContact OE1-NE 3.03Å; E912-R916 IonicContact OE1-NH2 3.77Å; E912-R916 PolarHBondContact OE1-NH2 3.07Å; E912-R916 IonicContact OE2-NH2 2.89Å; T914-R916 HydrophobicContact CG2-CG 4.18Å
917	I	31	Very low	28.7	Very low	131 Å²	131	164.6 Å²	164.6	67%	0.672	78%	0.78	S	S	*	*			trans	71.8	110.2	179.5	-28.8	174.9	0	0	0	112.3	L915	L915-I917 HydrophobicContact CD2-CD1 4.33Å
918	W	28.1	Very low	29.1	Very low	233 Å²	233	165.2 Å²	165.2	88%	0.883	78%	0.784	S	S	*	*			cis	-125.3	131.7	25.7	-76.9	74.8	0	0	0	114.8
919	E	27.3	Very low	29.2	Very low	184 Å²	184	168.9 Å²	168.9	86%	0.86	79%	0.79	S	S	*	*			trans	-112.3	135	153.5	-71.3	-171.2	116.2	0	0	109.7
920	R	24.9	Very low	29.5	Very low	217 Å²	217	165.2 Å²	165.2	82%	0.819	78%	0.782	S	S	*	*			trans	-172.4	149.8	145.6	-109.4	165.9	-173.8	-169.4	0.8	111.8
921	F	27	Very low	30.1	Very low	186 Å²	186	170.8 Å²	170.8	82%	0.816	80%	0.797	S	S	*	*			trans	72.1	84.4	171.2	-52.6	-65.4	0	0	0	119.1
922	R	28	Very low	30.6	Very low	247 Å²	247	169.8 Å²	169.8	93%	0.932	80%	0.797	S	S	*	*			trans	-128	128.5	130.1	-79	-169	178.5	-171.2	2.4	109.6
923	P	30	Very low	30.9	Very low	129 Å²	129	167 Å²	167	84%	0.838	79%	0.791	S	S	*	*			trans	-88.8	151.4	170.5	34.1	-32.2	0	0	0	112
924	Y	26.7	Very low	31.3	Very low	232 Å²	232	172.4 Å²	172.4	91%	0.91	80%	0.796	S	S	*	*			trans	-104.7	153.8	179.5	-140.3	-94.7	0	0	0	111
925	K	32	Very low	31.8	Very low	197 Å²	197	176.5 Å²	176.5	86%	0.857	81%	0.812	S	S	*	*			trans	-89.7	137	171.5	-77.9	-175	175.4	-179.5	0	111.2
926	K	29.6	Very low	32.4	Very low	190 Å²	190	173.2 Å²	173.2	83%	0.826	81%	0.806	S	S	*	*			trans	-159.8	137.8	150.2	-125.8	-174.9	177.9	176.5	0	116.4
927	N	27.5	Very low	32.7	Very low	144 Å²	144	168.7 Å²	168.7	77%	0.77	81%	0.806	S	S	*	*			trans	64.6	153.3	154.3	-77.3	21.6	0	0	0	122.8
928	P	40.8	Very low	33.1	Very low	118 Å²	118	165.2 Å²	165.2	77%	0.766	80%	0.803	S	S	*	*			trans	-119.2	125.7	-175.8	37.1	-20.6	0	0	0	113.9
929	R	28.4	Very low	33.8	Very low	247 Å²	247	160.5 Å²	160.5	93%	0.932	79%	0.79	S	S	*	*			trans	-164.8	72	166.7	-157.5	-178.9	-166.7	-177.3	4.2	114.5
930	E	32.9	Very low	34.5	Very low	163 Å²	163	155.1 Å²	155.1	76%	0.762	78%	0.777	S	S	*	*			trans	-153	43.7	173.3	-135.3	162.9	-118.4	0	0	116.1	A932	E930-A932 PolarHBondContact O-N 3.37Å
931	E	36.3	Very low	35.4	Very low	208 Å²	208	151.5 Å²	151.5	97%	0.972	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	60.9	168.1	-166.3	169.9	-156	0	0	111
932	A	36.8	Very low	36.1	Very low	96 Å²	96	151.7 Å²	151.7	79%	0.793	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	0.4	-174.1	0	0	0	0	0	115.5	E930	E930-A932 PolarHBondContact O-N 3.37Å
933	S	36.1	Very low	36.8	Very low	67 Å²	67	147.3 Å²	147.3	47%	0.469	76%	0.756	S	S	.	*			trans	-106.9	-9.7	-168.1	50.8	0	0	0	0	115.6	I935	S933-I935 VanDerWaalsContact C-N 3.32Å; S933-I935 PolarHBondContact O-N 3.4Å
934	Y	37.2	Very low	37.4	Very low	222 Å²	222	150.1 Å²	150.1	87%	0.871	76%	0.755	S	S	*	*	S	Bend	trans	-79.7	-0.7	-174.4	-84.3	-80.1	0	0	0	116
935	I	42.2	Very low	38.4	Very low	179 Å²	179	145.3 Å²	145.3	92%	0.918	75%	0.75	S	S	*	*	S	Bend	trans	-115	51.6	177.7	-43.4	-176	0	0	0	111.1	S933	S933-I935 VanDerWaalsContact C-N 3.32Å; S933-I935 PolarHBondContact O-N 3.4Å
936	A	44.8	Very low	39.3	Very low	72 Å²	72	143.2 Å²	143.2	60%	0.595	74%	0.743	S	S	*	*	S	Bend	trans	-128.9	-29.9	175.1	0	0	0	0	0	114.3	G938	A936-G938 PolarHBondContact O-N 3.47Å
937	A	39	Very low	40.1	Very low	80 Å²	80	143.8 Å²	143.8	66%	0.661	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-68.9	-32.5	-175.2	0	0	0	0	0	114.1	H939 A940	A937-H939 PolarHBondContact O-N 3.45Å; A937-H939 VanDerWaalsContact O-N 3.08Å; A937-A940 PolarHBondContact O-N 3.08Å
938	G	40.3	Very low	40.7	Very low	59 Å²	59	140.5 Å²	140.5	61%	0.608	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-67.9	-7.5	-174	0	0	0	0	0	116.2	A936	A936-G938 PolarHBondContact O-N 3.47Å
939	H	41.6	Very low	41.1	Very low	133 Å²	133	142.9 Å²	142.9	62%	0.616	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-107.6	-13.5	-176.6	-147.6	-55.6	0	0	0	114.3	A937	A937-H939 PolarHBondContact O-N 3.45Å; A937-H939 VanDerWaalsContact O-N 3.08Å
940	A	43.2	Very low	42.3	Very low	72 Å²	72	136.6 Å²	136.6	60%	0.595	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-42.7	177.5	0	0	0	0	0	112.4	A937 R942 K943	A937-A940 PolarHBondContact O-N 3.08Å; A940-R942 PolarHBondContact O-N 3.29Å; A940-K943 PolarHBondContact O-N 3.31Å
941	L	43.5	Very low	43.4	Very low	140 Å²	140	137.3 Å²	137.3	73%	0.733	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-59	-32.4	177.5	-99.6	154.3	0	0	0	112.9	K943	L941-K943 VanDerWaalsContact C-N 3.28Å; L941-K943 PolarHBondContact O-N 3.25Å
942	R	40.9	Very low	44.2	Very low	191 Å²	191	133 Å²	133	72%	0.721	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-78.3	-1.4	-175.7	-145.6	-179.8	-61.5	-115.2	1	114.8	A940	A940-R942 PolarHBondContact O-N 3.29Å
943	K	42.9	Very low	45	Very low	154 Å²	154	133.2 Å²	133.2	67%	0.67	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-113.5	-6.7	178.2	-85.1	-166.8	171.8	-173.9	0	115.8	A940 L941	A940-K943 PolarHBondContact O-N 3.31Å; L941-K943 VanDerWaalsContact C-N 3.28Å; L941-K943 PolarHBondContact O-N 3.25Å
944	K	43.3	Very low	45.8	Very low	189 Å²	189	137 Å²	137	82%	0.822	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-13.4	173.4	-84.8	-165.3	170.6	-170.4	0	114.9	Q946	K944-Q946 PolarHBondContact O-N 3.26Å
945	V	47.9	Very low	46.7	Very low	130 Å²	130	132.9 Å²	132.9	79%	0.788	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	8.6	177.9	-171.4	0	0	0	0	112.5
946	Q	49.9	Very low	47.3	Very low	153 Å²	153	129.4 Å²	129.4	72%	0.715	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	8.5	-172.3	-115.9	172	-7.5	0	0	114.9	K944	K944-Q946 PolarHBondContact O-N 3.26Å
947	F	46	Very low	47.7	Very low	203 Å²	203	130.9 Å²	130.9	89%	0.89	68%	0.679	S	S	*	*	S	Bend	trans	-141	38.4	178.8	-85.3	-78.3	0	0	0	113.2
948	A	40.5	Very low	48.3	Very low	75 Å²	75	131.8 Å²	131.8	62%	0.62	67%	0.672	S	S	*	*			trans	-110.5	148.7	154.4	0	0	0	0	0	107.7
949	K	50.3	Low	48.8	Very low	168 Å²	168	136.9 Å²	136.9	73%	0.73	68%	0.675	S	S	*	*			trans	-130.4	129.4	-176.1	-95.5	-166.4	163.8	-140.6	0	112.1	E951	K949-E951 VanDerWaalsContact C-N 3.26Å; K949-E951 PolarHBondContact O-N 2.77Å
950	D	53.7	Low	49.2	Very low	114 Å²	114	139.5 Å²	139.5	61%	0.61	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.4	-33.3	143.6	-47.3	-29.3	0	0	0	119.8
951	E	54.2	Low	49.4	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-44.5	174.4	-67	-165.9	152	0	0	113.1	K949 L953	K949-E951 VanDerWaalsContact C-N 3.26Å; K949-E951 PolarHBondContact O-N 2.77Å; E951-L953 PolarHBondContact O-N 3Å
952	D	53.6	Low	49.7	Very low	117 Å²	117	138.1 Å²	138.1	63%	0.626	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-3.6	177.1	-72.1	-35.7	0	0	0	114.5	I956	D952-I956 WeakPolarHBondContact O-CD1 3.48Å; D952-I956 WeakPolarHBondContact O-CG1 3.42Å
953	L	53.6	Low	50.2	Low	100 Å²	100	133.8 Å²	133.8	52%	0.524	66%	0.661	S	S	.	*	H	α-helix	trans	-86.9	-20.2	-169	-167.3	59.9	0	0	0	114.3	E951	E951-L953 PolarHBondContact O-N 3Å
954	H	54	Low	50.2	Low	146 Å²	146	131.4 Å²	131.4	68%	0.676	66%	0.664	S	S	*	*	H	α-helix	trans	-78	-47.7	179.7	-86.9	79.3	0	0	0	112.6	I956 L957 D958	H954-I956 VanDerWaalsContact C-N 3.27Å; H954-I956 PolarHBondContact O-N 3.17Å; H954-L957 WeakPolarHBondContact O-CB 3.48Å; H954-L957 PolarHBondContact O-N 3.26Å; H954-D958 PolarHBondContact O-N 3.23Å
955	D	55.1	Low	50.5	Low	137 Å²	137	126 Å²	126	73%	0.733	65%	0.654	S	S	*	*	H	α-helix	trans	-60.8	-35.3	-177.8	-72.6	10	0	0	0	112.6	L957 Y959	D955-L957 VanDerWaalsContact C-N 3.29Å; D955-L957 PolarHBondContact O-N 2.99Å; D955-Y959 PolarHBondContact O-N 3.2Å
956	I	55.1	Low	50.4	Low	106 Å²	106	128.6 Å²	128.6	54%	0.544	66%	0.657	S	S	.	*	H	α-helix	trans	-67.1	-30.2	177	-63.4	176.1	0	0	0	111.6	D952 H954	D952-I956 WeakPolarHBondContact O-CD1 3.48Å; D952-I956 WeakPolarHBondContact O-CG1 3.42Å; H954-I956 VanDerWaalsContact C-N 3.27Å; H954-I956 PolarHBondContact O-N 3.17Å
957	L	53.6	Low	50.3	Low	103 Å²	103	130.6 Å²	130.6	54%	0.539	67%	0.667	S	S	.	*	H	α-helix	trans	-79.1	-38.7	179.7	-94.7	165.8	0	0	0	112.9	H954 D955 W960 K961	H954-L957 WeakPolarHBondContact O-CB 3.48Å; H954-L957 PolarHBondContact O-N 3.26Å; D955-L957 VanDerWaalsContact C-N 3.29Å; D955-L957 PolarHBondContact O-N 2.99Å; L957-W960 PolarHBondContact O-N 3.42Å; L957-K961 PolarHBondContact O-N 3.24Å
958	D	50.8	Low	50.2	Low	98 Å²	98	130 Å²	130	52%	0.524	66%	0.664	S	S	.	*	H	α-helix	trans	-74.1	-30.8	177.2	-84.2	-6.8	0	0	0	112.6	H954 W960 K961 G962	H954-D958 PolarHBondContact O-N 3.23Å; D958-W960 VanDerWaalsContact C-N 3.26Å; D958-W960 PolarHBondContact O-N 3.32Å; D958-K961 PolarHBondContact O-N 3.42Å; D958-K961 WeakPolarHBondContact OD1-CD 3.38Å; D958-K961 WeakPolarHBondContact OD1-CE 3.42Å; D958-K961 IonicContact OD1-NZ 3Å; D958-K961 PolarHBondContact OD1-NZ 3.18Å; D958-G962 PolarHBondContact O-N 3.34Å
959	Y	50.8	Low	50	Low	167 Å²	167	138.4 Å²	138.4	66%	0.655	70%	0.697	S	S	*	*	H	α-helix	trans	-55.8	-41.6	168.2	-172.9	-96.1	0	0	0	112	D955 G962 V963	D955-Y959 PolarHBondContact O-N 3.2Å; Y959-G962 PolarHBondContact O-N 3.16Å; Y959-V963 HydrophobicContact CE1-CG2 4.29Å; Y959-V963 PolarHBondContact O-N 3.47Å
960	W	50.2	Low	50	Low	187 Å²	187	136.9 Å²	136.9	71%	0.708	70%	0.695	S	S	*	*	H	α-helix	trans	-74.6	-24	178.3	-93.6	85.7	0	0	0	114.7	L957 D958	L957-W960 PolarHBondContact O-N 3.42Å; D958-W960 VanDerWaalsContact C-N 3.26Å; D958-W960 PolarHBondContact O-N 3.32Å
961	K	46.6	Very low	49.8	Very low	140 Å²	140	138.1 Å²	138.1	61%	0.609	70%	0.7	S	S	*	*	H	α-helix	trans	-69.3	-39.6	170.1	-68.8	179.2	-163.2	149.3	0	111.8	L957 D958 S964	L957-K961 PolarHBondContact O-N 3.24Å; D958-K961 PolarHBondContact O-N 3.42Å; D958-K961 WeakPolarHBondContact OD1-CD 3.38Å; D958-K961 WeakPolarHBondContact OD1-CE 3.42Å; D958-K961 IonicContact OD1-NZ 3Å; D958-K961 PolarHBondContact OD1-NZ 3.18Å; K961-S964 PolarHBondContact O-N 3.49Å
962	G	51	Low	49.6	Very low	44 Å²	44	135.8 Å²	135.8	45%	0.454	69%	0.692	S	S	.	*	H	α-helix	trans	-61.4	-47.2	-179.2	0	0	0	0	0	113.3	D958 Y959 S964 A965	D958-G962 PolarHBondContact O-N 3.34Å; Y959-G962 PolarHBondContact O-N 3.16Å; G962-S964 PolarHBondContact O-N 3.22Å; G962-A965 PolarHBondContact O-N 2.66Å; G962-A965 VanDerWaalsContact O-N 3.16Å
963	V	50.2	Low	49.3	Very low	99 Å²	99	136.9 Å²	136.9	60%	0.6	70%	0.696	S	S	*	*	H	α-helix	trans	-66.1	-23.3	-175.2	178.6	0	0	0	0	113	Y959	Y959-V963 HydrophobicContact CE1-CG2 4.29Å; Y959-V963 PolarHBondContact O-N 3.47Å
964	S	43.6	Very low	49.1	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-12.1	177.6	-168.3	0	0	0	0	114.4	K961 G962	K961-S964 PolarHBondContact O-N 3.49Å; G962-S964 PolarHBondContact O-N 3.22Å
965	A	50.3	Low	48.8	Very low	74 Å²	74	138.8 Å²	138.8	61%	0.612	71%	0.709	S	S	*	*	S	Bend	trans	-94	-14.6	-168.3	0	0	0	0	0	115	G962	G962-A965 PolarHBondContact O-N 2.66Å; G962-A965 VanDerWaalsContact O-N 3.16Å
966	Q	45	Very low	48.3	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	71%	0.707	S	S	*	*			trans	-106.5	29.7	-173.3	-70.6	-171.7	-45.1	0	0	114.9
967	Q	47.8	Very low	47.8	Very low	195 Å²	195	141.5 Å²	141.5	91%	0.911	72%	0.72	S	S	*	*	S	Bend	trans	-105.8	53.8	156.2	-79.4	-163.3	-41.7	0	0	111.2
968	K	43.4	Very low	47.3	Very low	191 Å²	191	144.7 Å²	144.7	83%	0.83	74%	0.735	S	S	*	*			trans	-158.3	55.5	171.5	-134.9	173.6	-172.3	179.3	0	116.8
969	L	37.7	Very low	47	Very low	251 Å²	251	148.9 Å²	148.9	100%	1.314	75%	0.754	S	S	*	*			trans	-163.6	0	144.3	-107.2	162.8	0	0	0	109.5

Retrieved 969 of 969 residues in 128.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).