A0A3Q0KN14_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KN14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,037 aa.

						>A0A3Q0KN14_SCHMA|A0A3Q0KN14
MKESDKFIPSCEHHATEELSSTKSEDSNLHNTSEIPTSLPSRIELVRPIYHQISDFCFDFDSEGILRHIQTGDTFCVKVTSTGPSLKRQEIIRAICTRLIRQRLFALNMESSQIPIPGHPTHCMRVLHSKNFFTHKGPIIILLQGGGIAQAGVWAPRLLLHPQHGLQSGSQISLVKKAHEQGYAIAIINANEHVPSEAEMDAMETFPNPSCPLFNVTECTRIDPNLKSPDHDNNHDVPIYLTLPDHSNKLVLPVLDNKSHHPVALDSNLENPILFVPCKSSAEQKSKQLFRSYLTRAPSSSSALSWLLTGSNSTSSSTMRTNSDLQKTPVCCVNSICSTNETRLTSSTTDLTLNTHVKSVGSTVSAPSPSSSSMLNATHSLNYESQSQKPAFLVPSNSIALKNLTRVPQGRNIVSDNMNSLNSSNCQPFVENSTCVINPGNNITAVKKSSIKCHFPSISVPTASTTLPTTPDIPSYSIENRDRNFPKGRSLNNDPIVSNISVEDRLYGIWRQLIPHCASNHILVWAHQQGANAFIHPFKPMPDVFPGFLSPVSINSHKKMSSTPINTDKRQEMSEEPIIPPTIHNDSMFDKGPESLSSNHDNLNSVVQHNSKMRINKQLEWSTDCLSRVLKSPVVLTDSVSHITSKKSRLSNECDGNDPSTQVAYINVPSDYHNNDINNTDKSKIRFTRRRHLSSGPILMTHKNENGTRKSAHILEPTNDNLPLITNDYEQSQQNNKPLVTVNTIPDEIGEMLPKVSTGRLWFDRRIYGPWRHHVTPEASRRAFWLPDDNDLLAKRSSKKNASNYITNPAENRLCVNNLPALSGSDLDAMLFAKHGGVIPKSVGIWSDINSNDNNNSDEFLQLRLARAWQRKAERLWRELTSRVKAVVFTDSADVLDLCAAGVGWGLNILNEQSDNDSELPSIYKPTIYQQNIPEKVLQFREWLSQNSVNYVAANLKLGTRLNPQVNAQRHAIPTLSSSTTEHDLIPSTVLHHIFDFFRSKLQPSYPKEDSEHTTNSESPSTVMENSTCSILPSVHP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	31.5	Very low	242 Å²	242	145.3 Å²	145.3	100%	1.192	77%	0.768	S	S	*	*				0	112.2	0	-63.3	157.6	66.7	0	0	106.7
2	K	33.4	Very low	31.3	Very low	167 Å²	167	149.4 Å²	149.4	73%	0.726	78%	0.78	S	S	*	*			cis	-149.2	147.8	-6.6	-92.6	173.5	150.4	-94.7	0	104.2
3	E	33.6	Very low	31.3	Very low	137 Å²	137	149.9 Å²	149.9	64%	0.64	78%	0.775	S	S	*	*			cis	-149.6	129	-3.4	-103.6	147	151.6	0	0	104.4
4	S	30.3	Very low	31.3	Very low	92 Å²	92	152 Å²	152	64%	0.643	78%	0.779	S	S	*	*				36.4	115.6	107.4	61.7	0	0	0	0	113
5	D	34	Very low	31.2	Very low	122 Å²	122	147.5 Å²	147.5	65%	0.652	77%	0.773	S	S	*	*				167.2	172.4	65.1	-101.9	-16.7	0	0	0	107.5
6	K	34.8	Very low	31.2	Very low	151 Å²	151	146.5 Å²	146.5	66%	0.657	78%	0.776	S	S	*	*			cis	-164.7	173.6	1.8	-124.2	158.4	-171.3	141.4	0	111.6
7	F	30.4	Very low	30.8	Very low	187 Å²	187	148.2 Å²	148.2	82%	0.82	78%	0.778	S	S	*	*			trans	76.4	86.1	157.5	-68.7	-58	0	0	0	122.1
8	I	29.3	Very low	30.9	Very low	161 Å²	161	150.4 Å²	150.4	83%	0.826	78%	0.784	S	S	*	*				-115.1	174	129.6	34	164.7	0	0	0	107.2
9	P	34.8	Very low	31	Very low	112 Å²	112	150.5 Å²	150.5	73%	0.727	78%	0.784	S	S	*	*			cis	-132.8	-172.7	7	44.5	-28.7	0	0	0	115.2
10	S	30.1	Very low	30.7	Very low	118 Å²	118	148.1 Å²	148.1	83%	0.825	78%	0.781	S	S	*	*			trans	-148.4	145.9	143.7	56.5	0	0	0	0	111.8
11	C	23.5	Very low	30.7	Very low	109 Å²	109	146 Å²	146	74%	0.736	78%	0.779	S	S	*	*			trans	-150.8	137.2	179.9	-60	0	0	0	0	110.5
12	E	29.9	Very low	30.6	Very low	195 Å²	195	139.9 Å²	139.9	91%	0.911	76%	0.755	S	S	*	*			trans	-141.3	129	163.8	-60.7	-177.7	155.8	0	0	106.4
13	H	30.3	Very low	30.5	Very low	156 Å²	156	141.4 Å²	141.4	72%	0.722	76%	0.761	S	S	*	*			cis	96.4	138.5	29	-89.1	-70.6	0	0	0	116.1
14	H	32.1	Very low	30.4	Very low	179 Å²	179	139.5 Å²	139.5	83%	0.829	76%	0.764	S	S	*	*			trans	69.7	155.1	175.8	-51.1	-69.2	0	0	0	115.6
15	A	28.9	Very low	30.4	Very low	84 Å²	84	143.7 Å²	143.7	69%	0.694	77%	0.773	S	S	*	*			cis	-168.7	178.5	-26.8	0	0	0	0	0	105.5
16	T	31.3	Very low	30.2	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	78%	0.781	S	S	*	*			cis	-154.6	170.7	14.3	-33	0	0	0	0	108.9
17	E	25.8	Very low	30.1	Very low	175 Å²	175	141.9 Å²	141.9	82%	0.818	78%	0.777	S	S	*	*			trans	-70.9	162.3	168.6	-57.8	158.5	114.7	0	0	112.4
18	E	32	Very low	30	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	77%	0.771	S	S	*	*			trans	-163.4	168.3	151.8	-102	-89.9	112.9	0	0	109.8
19	L	31.8	Very low	30	Very low	151 Å²	151	135.7 Å²	135.7	79%	0.791	75%	0.753	S	S	*	*			trans	-102.4	165.4	-151.6	-103	65.9	0	0	0	118
20	S	25	Very low	29.8	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	74%	0.738	S	S	*	*			trans	-51.5	153.7	172	57.5	0	0	0	0	117.7
21	S	31.9	Very low	29.8	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	74%	0.74	S	S	*	*				-163.6	115.7	117.6	56.9	0	0	0	0	111.7
22	T	29.4	Very low	30	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	74%	0.741	S	S	*	*				72.1	129.3	100.5	68.2	0	0	0	0	118.6
23	K	31.2	Very low	29.9	Very low	199 Å²	199	133.4 Å²	133.4	87%	0.865	74%	0.735	S	S	*	*			trans	69.9	149.4	154.3	-66.8	168.1	-176.5	-180	0	116.8
24	S	31.8	Very low	29.9	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	74%	0.741	S	S	*	*			cis	-153.9	162.4	-8.8	39.2	0	0	0	0	111
25	E	29.1	Very low	29.7	Very low	179 Å²	179	132.8 Å²	132.8	84%	0.836	74%	0.736	S	S	*	*			trans	-5	126.1	155.9	-61.7	139.8	152.4	0	0	117.3
26	D	31.6	Very low	29.7	Very low	156 Å²	156	134 Å²	134	83%	0.834	74%	0.737	S	S	*	*				-158	-177.6	97	-137.7	-41.8	0	0	0	112.1
27	S	31.5	Very low	29.5	Very low	80 Å²	80	133.9 Å²	133.9	56%	0.559	74%	0.736	S	S	*	*			trans	-110.2	158.7	-149.9	55.1	0	0	0	0	116.8
28	N	29.2	Very low	29.7	Very low	131 Å²	131	130.4 Å²	130.4	70%	0.701	73%	0.731	S	S	*	*			trans	72.1	115.6	166.9	-48.3	-66.8	0	0	0	118
29	L	28.6	Very low	29.6	Very low	86 Å²	86	128.3 Å²	128.3	45%	0.45	73%	0.725	S	S	.	*				-175.7	150.3	99.5	-103.7	141.8	0	0	0	116	N31 L467 P468 T469	L29-N31 PolarHBondContact O-N 2.99Å; L29-L467 VanDerWaalsContact CD1-O 3.3Å; L29-L467 WeakPolarHBondContact CD1-O 3.3Å; L29-L467 HydrophobicContact CD2-CD2 4.32Å; L29-P468 HydrophobicContact CD1-CB 4.22Å; L29-T469 HydrophobicContact CD2-CG2 4.07Å; L29-T469 VanDerWaalsContact CD2-N 3.3Å
30	H	29.8	Very low	29.4	Very low	86 Å²	86	125.3 Å²	125.3	40%	0.398	72%	0.715	S	S	.	*			trans	-6.1	103.8	177.8	-66.8	-10.9	0	0	0	119	L467	H30-L467 VanDerWaalsContact CD2-CD2 3.49Å; H30-L467 WeakPolarHBondContact CD2-CD2 3.26Å
31	N	30.8	Very low	29.6	Very low	165 Å²	165	126.8 Å²	126.8	88%	0.882	73%	0.725	S	S	*	*			trans	-78.4	121.9	143.9	-89.1	-7.5	0	0	0	108.9	L29	L29-N31 PolarHBondContact O-N 2.99Å
32	T	27.6	Very low	29.6	Very low	123 Å²	123	128.1 Å²	128.1	76%	0.755	71%	0.714	S	S	*	*			trans	-63	130.9	164.4	42	0	0	0	0	109.8	E34	T32-E34 PolarHBondContact O-N 3.22Å; T32-E34 VanDerWaalsContact O-N 3.08Å
33	S	28.4	Very low	29.8	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	71%	0.714	S	S	*	*			trans	-61.9	112.9	165.2	-60.8	0	0	0	0	109.1	I35	S33-I35 PolarHBondContact O-N 3.15Å
34	E	30.1	Very low	29.7	Very low	181 Å²	181	128 Å²	128	85%	0.846	71%	0.712	S	S	*	*			trans	-60.7	108.8	165.9	-64	-176.7	147.3	0	0	107.6	T32 P36	T32-E34 PolarHBondContact O-N 3.22Å; T32-E34 VanDerWaalsContact O-N 3.08Å; E34-P36 VanDerWaalsContact O-CD 3.24Å; E34-P36 WeakPolarHBondContact O-CD 3.44Å
35	I	27.8	Very low	29.9	Very low	141 Å²	141	128.8 Å²	128.8	72%	0.723	71%	0.707	S	S	*	*			trans	-61.5	119.7	171.7	-63	174.3	0	0	0	106.1	S33 T37	S33-I35 PolarHBondContact O-N 3.15Å; I35-T37 PolarHBondContact O-N 3.17Å
36	P	28.3	Very low	30.3	Very low	108 Å²	108	125 Å²	125	70%	0.701	70%	0.697	S	S	*	*			trans	-61.7	114.1	177.3	-20.7	33.1	0	0	0	108.3	E34 S38	E34-P36 VanDerWaalsContact O-CD 3.24Å; E34-P36 WeakPolarHBondContact O-CD 3.44Å; P36-S38 PolarHBondContact O-N 3.17Å
37	T	27.5	Very low	30.5	Very low	131 Å²	131	126.4 Å²	126.4	80%	0.804	69%	0.69	S	S	*	*			trans	-73.9	59.5	171.8	40.2	0	0	0	0	109.7	I35 L39	I35-T37 PolarHBondContact O-N 3.17Å; T37-L39 PolarHBondContact O-N 2.88Å
38	S	30.1	Very low	31.3	Very low	102 Å²	102	125 Å²	125	71%	0.713	68%	0.679	S	S	*	*			trans	-61.3	104.1	173.9	58.8	0	0	0	0	108.3	P36	P36-S38 PolarHBondContact O-N 3.17Å
39	L	29.4	Very low	32.4	Very low	145 Å²	145	124.5 Å²	124.5	76%	0.759	68%	0.675	S	S	*	*			trans	-48.1	133.9	175.5	-97	69	0	0	0	109.4	T37 S41	T37-L39 PolarHBondContact O-N 2.88Å; L39-S41 PolarHBondContact O-N 2.9Å
40	P	28.8	Very low	34	Very low	87 Å²	87	123.8 Å²	123.8	57%	0.565	67%	0.667	S	S	*	*			trans	-49.9	128.8	165.7	-24.9	34.3	0	0	0	108.7	R42	P40-R42 PolarHBondContact O-N 2.84Å
41	S	29.2	Very low	35.8	Very low	133 Å²	133	125.8 Å²	125.8	93%	0.93	68%	0.676	S	S	*	*	S	Bend	trans	-72.4	46.8	-167.2	-36.3	0	0	0	0	114.6	L39	L39-S41 PolarHBondContact O-N 2.9Å
42	R	30.6	Very low	38.1	Very low	134 Å²	134	123.6 Å²	123.6	51%	0.506	66%	0.661	S	S	.	*			trans	-123.1	137.4	179.5	-84.2	177.3	155.6	-170	-10.3	108.8	P40 N493 D494	P40-R42 PolarHBondContact O-N 2.84Å; R42-N493 PolarHBondContact NH1-O 2.65Å; R42-D494 IonicContact CZ-OD1 3.37Å; R42-D494 IonicContact NH1-OD1 2.74Å; R42-D494 PolarHBondContact NH1-OD1 3.44Å; R42-D494 IonicContact NH2-OD1 3.33Å; R42-D494 PolarHBondContact NH2-OD1 3Å
43	I	35.4	Very low	40.9	Very low	133 Å²	133	118 Å²	118	68%	0.682	63%	0.626	S	S	*	*			trans	63.9	69.1	179.2	-24.7	179.7	0	0	0	114.4	L45	I43-L45 VanDerWaalsContact C-N 3.34Å; I43-L45 HydrophobicContact CB-CD1 4.19Å; I43-L45 HydrophobicContact CG2-CD1 3.54Å; I43-L45 HydrophobicContact CG2-CD2 3.65Å; I43-L45 HydrophobicContact CG2-CG 4.12Å; I43-L45 PolarHBondContact O-N 3.46Å
44	E	27.8	Very low	43.5	Very low	177 Å²	177	114.6 Å²	114.6	83%	0.827	60%	0.602	S	S	*	*			trans	-58.1	106.7	137.5	-75.6	-173.7	142.1	0	0	107.8	V46	E44-V46 PolarHBondContact O-N 3.4Å
45	L	37.2	Very low	46	Very low	113 Å²	113	109.1 Å²	109.1	59%	0.592	58%	0.579	S	S	*	*			trans	-67.1	85.8	169.8	-85.6	78.6	0	0	0	108.7	I43 R47	I43-L45 VanDerWaalsContact C-N 3.34Å; I43-L45 HydrophobicContact CB-CD1 4.19Å; I43-L45 HydrophobicContact CG2-CD1 3.54Å; I43-L45 HydrophobicContact CG2-CD2 3.65Å; I43-L45 HydrophobicContact CG2-CG 4.12Å; I43-L45 PolarHBondContact O-N 3.46Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 2.9Å
46	V	35.8	Very low	48.5	Very low	101 Å²	101	103.1 Å²	103.1	61%	0.612	55%	0.547	S	S	*	.			trans	-52.5	105.3	151.3	177.4	0	0	0	0	106.1	E44	E44-V46 PolarHBondContact O-N 3.4Å
47	R	37.4	Very low	51.2	Low	185 Å²	185	100.2 Å²	100.2	70%	0.698	53%	0.529	S	S	*	.			trans	-46.5	125.5	-176.5	-65.4	178	-178.6	137.7	-1.5	109.2	L45 I49 F206	L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 2.9Å; R47-I49 PolarHBondContact O-N 3.46Å; R47-F206 HydrophobicContact CG-CE1 4.41Å
48	P	47.8	Very low	54.2	Low	51 Å²	51	95.1 Å²	95.1	33%	0.331	50%	0.496	S	S	.	.			trans	-72.1	84.3	168.3	30.6	-32.3	0	0	0	108.1	Y50 H51	P48-Y50 PolarHBondContact O-N 3.12Å; P48-Y50 VanDerWaalsContact O-N 3.09Å; P48-H51 PolarHBondContact O-NE2 2.87Å
49	I	53	Low	57.1	Low	119 Å²	119	93.6 Å²	93.6	61%	0.61	48%	0.48	S	S	*	.			trans	-52.2	-27.7	169.3	-59.7	174.2	0	0	0	110.1	R47 H51	R47-I49 PolarHBondContact O-N 3.46Å; I49-H51 PolarHBondContact O-CD2 2.86Å; I49-H51 PolarHBondContact O-N 2.91Å
50	Y	61.7	Low	60	Low	71 Å²	71	87.2 Å²	87.2	28%	0.278	45%	0.446	S	S	.	.			trans	-79.2	98.2	175.8	-43.1	-82.2	0	0	0	111.2	P48 D55 F56	P48-Y50 PolarHBondContact O-N 3.12Å; P48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-D55 WeakPolarHBondContact CA-OD2 2.87Å; Y50-D55 HydrophobicContact CD1-CB 3.74Å; Y50-D55 WeakPolarHBondContact CD1-O 3.49Å; Y50-D55 HydrophobicContact CG-CB 4.4Å; Y50-F56 HydrophobicContact CD1-CD1 4.11Å; Y50-F56 HydrophobicContact CD1-CD2 4.34Å; Y50-F56 AromaticContact CD1-CE1 3.82Å; Y50-F56 HydrophobicContact CD1-CE1 3.82Å; Y50-F56 HydrophobicContact CD1-CE2 4.06Å; Y50-F56 HydrophobicContact CD1-CG 4.37Å; Y50-F56 AromaticContact CD1-CZ 3.81Å; Y50-F56 HydrophobicContact CD1-CZ 3.81Å; Y50-F56 AromaticContact CD2-CE1 3.93Å; Y50-F56 HydrophobicContact CD2-CE1 3.93Å; Y50-F56 HydrophobicContact CD2-CE2 4.21Å; Y50-F56 AromaticContact CD2-CZ 3.5Å; Y50-F56 HydrophobicContact CD2-CZ 3.5Å; Y50-F56 HydrophobicContact CE1-CD1 4.35Å; Y50-F56 HydrophobicContact CE1-CE1 4.06Å; Y50-F56 HydrophobicContact CE1-CZ 4.44Å; Y50-F56 HydrophobicContact CE2-CE1 4.15Å; Y50-F56 HydrophobicContact CE2-CZ 4.16Å; Y50-F56 HydrophobicContact CG-CD1 4.44Å; Y50-F56 HydrophobicContact CG-CD2 4.29Å; Y50-F56 AromaticContact CG-CE1 3.77Å; Y50-F56 HydrophobicContact CG-CE1 3.77Å; Y50-F56 AromaticContact CG-CE2 3.6Å; Y50-F56 HydrophobicContact CG-CE2 3.6Å; Y50-F56 AromaticContact CG-CZ 3.31Å; Y50-F56 HydrophobicContact CG-CZ 3.31Å
51	H	67.8	Low	63	Low	129 Å²	129	85.1 Å²	85.1	60%	0.597	43%	0.43	S	S	*	.			trans	-99	-10.3	175.2	-66.2	-80.9	0	0	0	113	P48 I49 D55 R98	P48-H51 PolarHBondContact O-NE2 2.87Å; I49-H51 PolarHBondContact O-CD2 2.86Å; I49-H51 PolarHBondContact O-N 2.91Å; H51-D55 PolarHBondContact N-OD2 3.18Å; H51-R98 PolarHBondContact O-NH1 2.93Å; H51-R98 PolarHBondContact O-NH2 3.3Å
52	Q	79.5	Confident	65.9	Low	119 Å²	119	84.9 Å²	84.9	56%	0.556	43%	0.429	S	S	*	.	S	Bend	trans	-130.4	164.4	177.3	-52.1	-169.8	15.1	0	0	111	S54 D55	Q52-S54 VanDerWaalsContact C-N 3.33Å; Q52-S54 WeakPolarHBondContact CB-OG 3.42Å; Q52-S54 PolarHBondContact OE1-OG 3.38Å; Q52-S54 VanDerWaalsContact OE1-OG 3.08Å; Q52-D55 PolarHBondContact N-OD2 3.14Å; Q52-D55 PolarHBondContact O-N 3.47Å
53	I	84.4	Confident	68.7	Low	5 Å²	5	84.5 Å²	84.5	3%	0.026	43%	0.432	C	S	.	.	S	Bend	trans	-75.3	-29.5	176.6	-169.4	58.5	0	0	0	111.4	D55 F56 F58 D59 L66 I92 I95 L99	I53-D55 PolarHBondContact O-N 3.49Å; I53-F56 WeakPolarHBondContact O-CB 3.32Å; I53-F56 PolarHBondContact O-N 3.01Å; I53-F58 CarbonylContact C-O 3.42Å; I53-F58 HydrophobicContact CD1-CB 4.18Å; I53-F58 HydrophobicContact CG1-CB 3.96Å; I53-F58 WeakPolarHBondContact CG1-O 3.31Å; I53-F58 WeakPolarHBondContact CG2-O 3.22Å; I53-F58 PolarHBondContact O-N 3.08Å; I53-D59 HydrophobicContact CG2-CB 4.37Å; I53-L66 HydrophobicContact CD1-CD1 4.15Å; I53-L66 HydrophobicContact CG1-CD1 3.78Å; I53-I92 HydrophobicContact CD1-CG1 4.49Å; I53-I92 HydrophobicContact CD1-CG2 4.02Å; I53-I95 HydrophobicContact CB-CG2 3.91Å; I53-I95 HydrophobicContact CD1-CG2 4.46Å; I53-L99 HydrophobicContact CB-CD1 3.8Å; I53-L99 HydrophobicContact CG2-CD1 3.53Å
54	S	84.5	Confident	71.4	Confident	41 Å²	41	78.5 Å²	78.5	29%	0.287	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-58.4	-30.3	170.3	37.3	0	0	0	0	113.2	Q52 F56 C57 F58	Q52-S54 VanDerWaalsContact C-N 3.33Å; Q52-S54 WeakPolarHBondContact CB-OG 3.42Å; Q52-S54 PolarHBondContact OE1-OG 3.38Å; Q52-S54 VanDerWaalsContact OE1-OG 3.08Å; S54-F56 PolarHBondContact O-N 3.39Å; S54-C57 VanDerWaalsContact O-CA 3.28Å; S54-C57 WeakPolarHBondContact O-CA 3.3Å; S54-C57 PolarHBondContact O-N 2.85Å; S54-F58 WeakPolarHBondContact CA-O 3.38Å; S54-F58 PolarHBondContact N-O 2.98Å; S54-F58 VanDerWaalsContact N-O 3.11Å
55	D	81.8	Confident	74.5	Confident	67 Å²	67	70.7 Å²	70.7	36%	0.358	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-67.4	-16.7	175.7	-49.1	-21.5	0	0	0	112.4	Y50 H51 Q52 I53	Y50-D55 WeakPolarHBondContact CA-OD2 2.87Å; Y50-D55 HydrophobicContact CD1-CB 3.74Å; Y50-D55 WeakPolarHBondContact CD1-O 3.49Å; Y50-D55 HydrophobicContact CG-CB 4.4Å; H51-D55 PolarHBondContact N-OD2 3.18Å; Q52-D55 PolarHBondContact N-OD2 3.14Å; Q52-D55 PolarHBondContact O-N 3.47Å; I53-D55 PolarHBondContact O-N 3.49Å
56	F	81.1	Confident	77.1	Confident	14 Å²	14	65.5 Å²	65.5	6%	0.061	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-96.2	4.7	169.1	-72.7	-70.8	0	0	0	113.4	Y50 I53 S54 F58 R88 I91 I92 I95	Y50-F56 HydrophobicContact CD1-CD1 4.11Å; Y50-F56 HydrophobicContact CD1-CD2 4.34Å; Y50-F56 AromaticContact CD1-CE1 3.82Å; Y50-F56 HydrophobicContact CD1-CE1 3.82Å; Y50-F56 HydrophobicContact CD1-CE2 4.06Å; Y50-F56 HydrophobicContact CD1-CG 4.37Å; Y50-F56 AromaticContact CD1-CZ 3.81Å; Y50-F56 HydrophobicContact CD1-CZ 3.81Å; Y50-F56 AromaticContact CD2-CE1 3.93Å; Y50-F56 HydrophobicContact CD2-CE1 3.93Å; Y50-F56 HydrophobicContact CD2-CE2 4.21Å; Y50-F56 AromaticContact CD2-CZ 3.5Å; Y50-F56 HydrophobicContact CD2-CZ 3.5Å; Y50-F56 HydrophobicContact CE1-CD1 4.35Å; Y50-F56 HydrophobicContact CE1-CE1 4.06Å; Y50-F56 HydrophobicContact CE1-CZ 4.44Å; Y50-F56 HydrophobicContact CE2-CE1 4.15Å; Y50-F56 HydrophobicContact CE2-CZ 4.16Å; Y50-F56 HydrophobicContact CG-CD1 4.44Å; Y50-F56 HydrophobicContact CG-CD2 4.29Å; Y50-F56 AromaticContact CG-CE1 3.77Å; Y50-F56 HydrophobicContact CG-CE1 3.77Å; Y50-F56 AromaticContact CG-CE2 3.6Å; Y50-F56 HydrophobicContact CG-CE2 3.6Å; Y50-F56 AromaticContact CG-CZ 3.31Å; Y50-F56 HydrophobicContact CG-CZ 3.31Å; I53-F56 WeakPolarHBondContact O-CB 3.32Å; I53-F56 PolarHBondContact O-N 3.01Å; S54-F56 PolarHBondContact O-N 3.39Å; F56-F58 VanDerWaalsContact C-N 3.34Å; F56-F58 HydrophobicContact CB-CD2 4.28Å; F56-F58 WeakPolarHBondContact O-CD2 3.35Å; F56-R88 HydrophobicContact CD1-CG 4.24Å; F56-R88 HydrophobicContact CE1-CG 3.88Å; F56-R88 PolarHBondContact O-NH2 3.06Å; F56-I91 HydrophobicContact CE2-CG2 3.71Å; F56-I91 HydrophobicContact CZ-CB 4.25Å; F56-I91 HydrophobicContact CZ-CG2 3.68Å; F56-I92 HydrophobicContact CB-CD1 4.22Å; F56-I92 HydrophobicContact CB-CG1 4.44Å; F56-I92 HydrophobicContact CD1-CD1 4.12Å; F56-I92 HydrophobicContact CD1-CG1 4.27Å; F56-I92 HydrophobicContact CD2-CD1 4.3Å; F56-I92 HydrophobicContact CD2-CG1 3.69Å; F56-I92 HydrophobicContact CE1-CG1 4.47Å; F56-I92 HydrophobicContact CE2-CG1 3.91Å; F56-I92 HydrophobicContact CG-CD1 3.95Å; F56-I92 HydrophobicContact CG-CG1 3.87Å; F56-I92 HydrophobicContact CZ-CG1 4.29Å; F56-I95 HydrophobicContact CD2-CD1 4.15Å; F56-I95 HydrophobicContact CE2-CD1 3.7Å
57	C	85.6	Confident	79.7	Confident	48 Å²	48	64.2 Å²	64.2	32%	0.324	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	26.6	-168	-58.2	0	0	0	0	114.9	S54 H68 I69	S54-C57 VanDerWaalsContact O-CA 3.28Å; S54-C57 WeakPolarHBondContact O-CA 3.3Å; S54-C57 PolarHBondContact O-N 2.85Å; C57-H68 VanDerWaalsContact CB-CD2 3.49Å; C57-H68 WeakPolarHBondContact CB-CD2 3.49Å; C57-H68 VanDerWaalsContact CB-NE2 3.26Å; C57-H68 WeakPolarHBondContact CB-NE2 3.13Å; C57-H68 CarbonylContact O-C 3.55Å; C57-H68 VanDerWaalsContact O-CA 3.3Å; C57-H68 WeakPolarHBondContact O-CA 3.3Å; C57-H68 PolarHBondContact O-CD2 3.39Å; C57-I69 PolarHBondContact O-N 3.33Å
58	F	89	Confident	82.2	Confident	23 Å²	23	57.1 Å²	57.1	10%	0.101	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154.7	175.7	-74.1	-92.7	0	0	0	112	I53 S54 F56 L66 R67 H68 F75	I53-F58 CarbonylContact C-O 3.42Å; I53-F58 HydrophobicContact CD1-CB 4.18Å; I53-F58 HydrophobicContact CG1-CB 3.96Å; I53-F58 WeakPolarHBondContact CG1-O 3.31Å; I53-F58 WeakPolarHBondContact CG2-O 3.22Å; I53-F58 PolarHBondContact O-N 3.08Å; S54-F58 WeakPolarHBondContact CA-O 3.38Å; S54-F58 PolarHBondContact N-O 2.98Å; S54-F58 VanDerWaalsContact N-O 3.11Å; F56-F58 VanDerWaalsContact C-N 3.34Å; F56-F58 HydrophobicContact CB-CD2 4.28Å; F56-F58 WeakPolarHBondContact O-CD2 3.35Å; F58-L66 HydrophobicContact CB-CD1 3.9Å; F58-L66 HydrophobicContact CB-CG 4.21Å; F58-L66 HydrophobicContact CD1-CG 4.16Å; F58-L66 HydrophobicContact CG-CG 4.5Å; F58-R67 CarbonylContact C-O 3.49Å; F58-R67 VanDerWaalsContact CA-O 3.27Å; F58-R67 WeakPolarHBondContact CA-O 3.3Å; F58-R67 WeakPolarHBondContact CD1-O 3.24Å; F58-H68 HydrophobicContact CD1-CB 4.22Å; F58-H68 HydrophobicContact CE1-CB 3.74Å; F58-H68 HydrophobicContact CZ-CB 3.96Å; F58-F75 HydrophobicContact CD1-CB 4.02Å; F58-F75 HydrophobicContact CD1-CD2 4.04Å; F58-F75 HydrophobicContact CD2-CD2 4.31Å; F58-F75 HydrophobicContact CE1-CB 3.82Å; F58-F75 AromaticContact CE1-CD2 3.78Å; F58-F75 HydrophobicContact CE1-CD2 3.78Å; F58-F75 HydrophobicContact CE1-CG 4.31Å; F58-F75 HydrophobicContact CE2-CD2 4.08Å; F58-F75 HydrophobicContact CG-CD2 4.33Å; F58-F75 AromaticContact CZ-CD2 3.82Å; F58-F75 HydrophobicContact CZ-CD2 3.82Å
59	D	90.7	Very high	84.2	Confident	71 Å²	71	59.6 Å²	59.6	38%	0.38	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	167.9	159.8	-161.1	5.7	0	0	0	110.5	I53 R67 I69	I53-D59 HydrophobicContact CG2-CB 4.37Å; D59-R67 PolarHBondContact N-O 3.04Å; D59-R67 PolarHBondContact O-N 3.46Å; D59-I69 HydrophobicContact CB-CD1 4.33Å; D59-I69 HydrophobicContact CB-CG1 4.21Å
60	F	91.3	Very high	85.8	Confident	11 Å²	11	61.4 Å²	61.4	5%	0.048	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.7	170.3	-67.8	-77.5	0	0	0	110.4	G64 I65 L66 C96 L99 L159 L166	F60-G64 WeakPolarHBondContact CD1-O 3.29Å; F60-I65 WeakPolarHBondContact CA-O 3.22Å; F60-L66 HydrophobicContact CD1-CB 4.04Å; F60-L66 HydrophobicContact CD1-CD1 4.27Å; F60-L66 HydrophobicContact CD2-CD1 4.32Å; F60-L66 HydrophobicContact CE1-CB 3.85Å; F60-L66 HydrophobicContact CE1-CD1 4.2Å; F60-L66 HydrophobicContact CE2-CD1 4.25Å; F60-L66 HydrophobicContact CG-CD1 4.35Å; F60-L66 HydrophobicContact CZ-CD1 4.19Å; F60-C96 HydrophobicContact CE2-CB 4.12Å; F60-C96 HydrophobicContact CZ-CB 3.94Å; F60-L99 HydrophobicContact CE2-CD1 4.35Å; F60-L159 HydrophobicContact CE1-CD1 3.95Å; F60-L159 HydrophobicContact CZ-CD1 3.83Å; F60-L166 HydrophobicContact CB-CD1 4.04Å; F60-L166 HydrophobicContact CD1-CD1 3.92Å; F60-L166 HydrophobicContact CD1-CD2 4.3Å; F60-L166 HydrophobicContact CD1-CG 3.76Å; F60-L166 HydrophobicContact CD2-CD1 4.36Å; F60-L166 HydrophobicContact CE1-CD1 4.44Å; F60-L166 HydrophobicContact CE1-CD2 4Å; F60-L166 HydrophobicContact CE1-CG 3.86Å; F60-L166 HydrophobicContact CE2-CD2 4.37Å; F60-L166 HydrophobicContact CG-CD1 3.86Å; F60-L166 HydrophobicContact CG-CG 4.19Å; F60-L166 HydrophobicContact CZ-CD2 4.03Å; F60-L166 HydrophobicContact CZ-CG 4.38Å
61	D	91.2	Very high	87.1	Confident	42 Å²	42	61.9 Å²	61.9	23%	0.225	33%	0.325	C	S	.	.			trans	-70.8	-171.8	177.3	74.1	-5.2	0	0	0	113.6	E63 G64 I65 R67	D61-E63 VanDerWaalsContact C-N 3.27Å; D61-E63 PolarHBondContact O-N 3.35Å; D61-E63 WeakPolarHBondContact OD1-CA 3.38Å; D61-E63 WeakPolarHBondContact OD1-CB 3.5Å; D61-E63 PolarHBondContact OD1-N 2.96Å; D61-G64 PolarHBondContact O-N 2.85Å; D61-G64 VanDerWaalsContact O-N 3.14Å; D61-G64 PolarHBondContact OD1-N 3.38Å; D61-I65 PolarHBondContact N-O 3.03Å; D61-I65 PolarHBondContact OD1-N 2.72Å; D61-R67 WeakPolarHBondContact OD2-CD 3.34Å; D61-R67 IonicContact OD2-CZ 2.68Å; D61-R67 IonicContact OD2-NE 2.74Å; D61-R67 PolarHBondContact OD2-NE 3.11Å; D61-R67 IonicContact OD2-NH2 3.87Å
62	S	89.6	Confident	88	Confident	129 Å²	129	57.5 Å²	57.5	90%	0.902	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.5	175.2	47	0	0	0	0	114.5	G64	S62-G64 VanDerWaalsContact C-N 3.33Å
63	E	89.5	Confident	88.4	Confident	125 Å²	125	56.8 Å²	56.8	58%	0.584	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.6	174.8	-53.3	-175.9	133.6	0	0	111.5	D61 I65 R67	D61-E63 VanDerWaalsContact C-N 3.27Å; D61-E63 PolarHBondContact O-N 3.35Å; D61-E63 WeakPolarHBondContact OD1-CA 3.38Å; D61-E63 WeakPolarHBondContact OD1-CB 3.5Å; D61-E63 PolarHBondContact OD1-N 2.96Å; E63-I65 HydrophobicContact CB-CG1 4.1Å; E63-R67 IonicContact OE2-CZ 3.75Å; E63-R67 IonicContact OE2-NH2 3.95Å; E63-R67 PolarHBondContact OE2-NH2 2.9Å
64	G	91.7	Very high	88.5	Confident	8 Å²	8	58.7 Å²	58.7	8%	0.082	33%	0.327	C	S	.	.	S	Bend	trans	85.1	17.7	-173.4	0	0	0	0	0	113.8	F60 D61 S62 G165 L166	F60-G64 WeakPolarHBondContact CD1-O 3.29Å; D61-G64 PolarHBondContact O-N 2.85Å; D61-G64 VanDerWaalsContact O-N 3.14Å; D61-G64 PolarHBondContact OD1-N 3.38Å; S62-G64 VanDerWaalsContact C-N 3.33Å; G64-G165 CarbonylContact O-C 3.57Å; G64-G165 WeakPolarHBondContact O-CA 3.28Å; G64-L166 PolarHBondContact O-N 2.74Å
65	I	93.4	Very high	88.5	Confident	13 Å²	13	57.3 Å²	57.3	7%	0.067	32%	0.315	C	S	.	.			trans	-89.5	136.5	173.9	-55.1	-55.5	0	0	0	109.6	F60 D61 E63 R67 T74 P162	F60-I65 WeakPolarHBondContact CA-O 3.22Å; D61-I65 PolarHBondContact N-O 3.03Å; D61-I65 PolarHBondContact OD1-N 2.72Å; E63-I65 HydrophobicContact CB-CG1 4.1Å; I65-R67 HydrophobicContact CG2-CG 4.19Å; I65-R67 PolarHBondContact O-N 2.75Å; I65-T74 HydrophobicContact CG2-CG2 3.81Å; I65-P162 WeakPolarHBondContact CG2-O 3.09Å
66	L	91.5	Very high	88	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	109.2	177.1	-172.2	66	0	0	0	109.9	I53 F58 F60 T74 F75 I92 L160	I53-L66 HydrophobicContact CD1-CD1 4.15Å; I53-L66 HydrophobicContact CG1-CD1 3.78Å; F58-L66 HydrophobicContact CB-CD1 3.9Å; F58-L66 HydrophobicContact CB-CG 4.21Å; F58-L66 HydrophobicContact CD1-CG 4.16Å; F58-L66 HydrophobicContact CG-CG 4.5Å; F60-L66 HydrophobicContact CD1-CB 4.04Å; F60-L66 HydrophobicContact CD1-CD1 4.27Å; F60-L66 HydrophobicContact CD2-CD1 4.32Å; F60-L66 HydrophobicContact CE1-CB 3.85Å; F60-L66 HydrophobicContact CE1-CD1 4.2Å; F60-L66 HydrophobicContact CE2-CD1 4.25Å; F60-L66 HydrophobicContact CG-CD1 4.35Å; F60-L66 HydrophobicContact CZ-CD1 4.19Å; L66-T74 WeakPolarHBondContact O-CA 3.28Å; L66-F75 HydrophobicContact CB-CB 4.16Å; L66-F75 HydrophobicContact CD2-CB 3.75Å; L66-F75 HydrophobicContact CD2-CD1 4.28Å; L66-F75 HydrophobicContact CD2-CD2 4.2Å; L66-F75 HydrophobicContact CD2-CG 3.82Å; L66-F75 HydrophobicContact CG-CB 3.93Å; L66-F75 PolarHBondContact O-N 2.83Å; L66-I92 HydrophobicContact CD2-CG2 4.19Å; L66-L160 HydrophobicContact CD2-CD2 3.61Å
67	R	92.1	Very high	87.3	Confident	74 Å²	74	60.2 Å²	60.2	28%	0.279	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.4	-176.8	-64.9	-175.6	-169.4	-95.2	4.8	112.1	F58 D59 D61 E63 I65 G72 D73 T74	F58-R67 CarbonylContact C-O 3.49Å; F58-R67 VanDerWaalsContact CA-O 3.27Å; F58-R67 WeakPolarHBondContact CA-O 3.3Å; F58-R67 WeakPolarHBondContact CD1-O 3.24Å; D59-R67 PolarHBondContact N-O 3.04Å; D59-R67 PolarHBondContact O-N 3.46Å; D61-R67 WeakPolarHBondContact OD2-CD 3.34Å; D61-R67 IonicContact OD2-CZ 2.68Å; D61-R67 IonicContact OD2-NE 2.74Å; D61-R67 PolarHBondContact OD2-NE 3.11Å; D61-R67 IonicContact OD2-NH2 3.87Å; E63-R67 IonicContact OE2-CZ 3.75Å; E63-R67 IonicContact OE2-NH2 3.95Å; E63-R67 PolarHBondContact OE2-NH2 2.9Å; I65-R67 HydrophobicContact CG2-CG 4.19Å; I65-R67 PolarHBondContact O-N 2.75Å; R67-G72 WeakPolarHBondContact CD-O 2.8Å; R67-D73 CarbonylContact C-O 3.5Å; R67-D73 WeakPolarHBondContact CA-O 3.45Å; R67-T74 HydrophobicContact CG-CG2 4.24Å
68	H	88.7	Confident	86.2	Confident	36 Å²	36	65 Å²	65	17%	0.167	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.1	175.2	-176.1	-116.5	0	0	0	109.8	C57 F58 Q70 T71 G72 D73	C57-H68 VanDerWaalsContact CB-CD2 3.49Å; C57-H68 WeakPolarHBondContact CB-CD2 3.49Å; C57-H68 VanDerWaalsContact CB-NE2 3.26Å; C57-H68 WeakPolarHBondContact CB-NE2 3.13Å; C57-H68 CarbonylContact O-C 3.55Å; C57-H68 VanDerWaalsContact O-CA 3.3Å; C57-H68 WeakPolarHBondContact O-CA 3.3Å; C57-H68 PolarHBondContact O-CD2 3.39Å; F58-H68 HydrophobicContact CD1-CB 4.22Å; F58-H68 HydrophobicContact CE1-CB 3.74Å; F58-H68 HydrophobicContact CZ-CB 3.96Å; H68-Q70 PolarHBondContact O-N 2.94Å; H68-Q70 VanDerWaalsContact O-N 3.16Å; H68-T71 PolarHBondContact ND1-OG1 2.86Å; H68-T71 PolarHBondContact O-N 3.47Å; H68-G72 WeakPolarHBondContact O-CA 3.36Å; H68-G72 PolarHBondContact O-N 3.21Å; H68-D73 HydrophobicContact CB-CB 4.25Å; H68-D73 PolarHBondContact N-O 3.38Å
69	I	89.1	Confident	84.7	Confident	103 Å²	103	69.9 Å²	69.9	53%	0.528	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.9	-168.9	-65.3	170.7	0	0	0	112.1	C57 D59	C57-I69 PolarHBondContact O-N 3.33Å; D59-I69 HydrophobicContact CB-CD1 4.33Å; D59-I69 HydrophobicContact CB-CG1 4.21Å
70	Q	87.1	Confident	82.7	Confident	156 Å²	156	69 Å²	69	73%	0.729	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-23.4	-174.7	-65.1	179.1	-14.7	0	0	114.5	H68	H68-Q70 PolarHBondContact O-N 2.94Å; H68-Q70 VanDerWaalsContact O-N 3.16Å
71	T	88.8	Confident	80.6	Confident	81 Å²	81	73.9 Å²	73.9	50%	0.497	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-12.3	-172.7	61.8	0	0	0	0	114.3	H68 D73	H68-T71 PolarHBondContact ND1-OG1 2.86Å; H68-T71 PolarHBondContact O-N 3.47Å; T71-D73 WeakPolarHBondContact CB-OD2 3.47Å; T71-D73 PolarHBondContact O-N 2.82Å; T71-D73 PolarHBondContact OG1-OD2 2.88Å
72	G	87.8	Confident	78.8	Confident	37 Å²	37	77 Å²	77	38%	0.381	44%	0.44	S	S	.	.			trans	76.1	-3	-174.4	0	0	0	0	0	114.8	R67 H68 T74	R67-G72 WeakPolarHBondContact CD-O 2.8Å; H68-G72 WeakPolarHBondContact O-CA 3.36Å; H68-G72 PolarHBondContact O-N 3.21Å; G72-T74 PolarHBondContact O-N 3.34Å
73	D	87.8	Confident	77.3	Confident	105 Å²	105	72.9 Å²	72.9	56%	0.561	42%	0.417	S	S	*	.			trans	-62	127.6	-177.5	-69.4	-54.2	0	0	0	111.9	R67 H68 T71	R67-D73 CarbonylContact C-O 3.5Å; R67-D73 WeakPolarHBondContact CA-O 3.45Å; H68-D73 HydrophobicContact CB-CB 4.25Å; H68-D73 PolarHBondContact N-O 3.38Å; T71-D73 WeakPolarHBondContact CB-OD2 3.47Å; T71-D73 PolarHBondContact O-N 2.82Å; T71-D73 PolarHBondContact OG1-OD2 2.88Å
74	T	87	Confident	75.9	Confident	45 Å²	45	71.3 Å²	71.3	28%	0.276	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-66.5	140	176.3	57.2	0	0	0	0	111.3	I65 L66 R67 G72 C76 P162	I65-T74 HydrophobicContact CG2-CG2 3.81Å; L66-T74 WeakPolarHBondContact O-CA 3.28Å; R67-T74 HydrophobicContact CG-CG2 4.24Å; G72-T74 PolarHBondContact O-N 3.34Å; T74-C76 PolarHBondContact O-N 3.46Å; T74-C76 VanDerWaalsContact O-N 3.08Å; T74-P162 HydrophobicContact CG2-CB 3.94Å; T74-P162 WeakPolarHBondContact OG1-CB 3.38Å; T74-P162 WeakPolarHBondContact OG1-CG 3.43Å
75	F	83.3	Confident	74.6	Confident	11 Å²	11	73 Å²	73	5%	0.048	43%	0.428	C	S	.	.			trans	-58.4	114.1	178	-175.3	-94.8	0	0	0	111.9	F58 L66 V77 Q89 I92 L160	F58-F75 HydrophobicContact CD1-CB 4.02Å; F58-F75 HydrophobicContact CD1-CD2 4.04Å; F58-F75 HydrophobicContact CD2-CD2 4.31Å; F58-F75 HydrophobicContact CE1-CB 3.82Å; F58-F75 AromaticContact CE1-CD2 3.78Å; F58-F75 HydrophobicContact CE1-CD2 3.78Å; F58-F75 HydrophobicContact CE1-CG 4.31Å; F58-F75 HydrophobicContact CE2-CD2 4.08Å; F58-F75 HydrophobicContact CG-CD2 4.33Å; F58-F75 AromaticContact CZ-CD2 3.82Å; F58-F75 HydrophobicContact CZ-CD2 3.82Å; L66-F75 HydrophobicContact CB-CB 4.16Å; L66-F75 HydrophobicContact CD2-CB 3.75Å; L66-F75 HydrophobicContact CD2-CD1 4.28Å; L66-F75 HydrophobicContact CD2-CD2 4.2Å; L66-F75 HydrophobicContact CD2-CG 3.82Å; L66-F75 HydrophobicContact CG-CB 3.93Å; L66-F75 PolarHBondContact O-N 2.83Å; F75-V77 HydrophobicContact CD1-CG2 4.1Å; F75-V77 HydrophobicContact CE1-CG2 3.85Å; F75-Q89 HydrophobicContact CZ-CG 4.34Å; F75-I92 HydrophobicContact CE2-CD1 3.55Å; F75-I92 HydrophobicContact CE2-CG2 4.31Å; F75-I92 HydrophobicContact CZ-CD1 3.97Å; F75-I92 HydrophobicContact CZ-CG2 4.22Å; F75-L160 HydrophobicContact CD1-CB 4.08Å; F75-L160 HydrophobicContact CD1-CD2 4.34Å; F75-L160 HydrophobicContact CE1-CB 4.3Å; F75-L160 HydrophobicContact CE1-CD1 4.23Å; F75-L160 HydrophobicContact CE1-CD2 4.43Å
76	C	70.7	Confident	73.4	Confident	86 Å²	86	75.4 Å²	75.4	58%	0.581	44%	0.441	S	S	*	.			trans	-97.1	111.9	179.7	-175.4	0	0	0	0	110.9	T74 K78	T74-C76 PolarHBondContact O-N 3.46Å; T74-C76 VanDerWaalsContact O-N 3.08Å; C76-K78 VanDerWaalsContact C-N 3.33Å; C76-K78 PolarHBondContact O-N 2.84Å
77	V	68.2	Low	72.3	Confident	57 Å²	57	79.7 Å²	79.7	35%	0.345	46%	0.459	S	S	.	.			trans	-69.3	86.8	172.8	-177.3	0	0	0	0	109.8	F75 V79 L160	F75-V77 HydrophobicContact CD1-CG2 4.1Å; F75-V77 HydrophobicContact CE1-CG2 3.85Å; V77-V79 PolarHBondContact O-N 2.93Å; V77-L160 HydrophobicContact CG2-CB 3.83Å
78	K	61.2	Low	71.3	Confident	149 Å²	149	80.4 Å²	80.4	65%	0.648	46%	0.462	S	S	*	.			trans	-64.9	117.6	170.5	-67.9	-176	-179.5	177.7	0	108.9	C76 T80 Q89	C76-K78 VanDerWaalsContact C-N 3.33Å; C76-K78 PolarHBondContact O-N 2.84Å; K78-T80 HydrophobicContact CB-CG2 4.38Å; K78-T80 PolarHBondContact O-N 3.19Å; K78-Q89 PolarHBondContact O-NE2 2.77Å
79	V	57.9	Low	70.5	Confident	124 Å²	124	79.8 Å²	79.8	75%	0.752	46%	0.459	S	S	*	.			trans	-75.1	72.4	180	-172.8	0	0	0	0	110.3	V77	V77-V79 PolarHBondContact O-N 2.93Å
80	T	49.3	Very low	69.6	Low	52 Å²	52	79.1 Å²	79.1	32%	0.319	45%	0.454	S	S	.	.			trans	-89.8	118.7	173.1	53.7	0	0	0	0	109.5	K78 T82 S85	K78-T80 HydrophobicContact CB-CG2 4.38Å; K78-T80 PolarHBondContact O-N 3.19Å; T80-T82 VanDerWaalsContact C-N 3.27Å; T80-T82 PolarHBondContact O-N 2.89Å; T80-S85 WeakPolarHBondContact CB-OG 3.16Å; T80-S85 WeakPolarHBondContact OG1-CB 3.29Å; T80-S85 PolarHBondContact OG1-OG 2.83Å
81	S	47.5	Very low	69.2	Low	114 Å²	114	73.8 Å²	73.8	80%	0.797	43%	0.43	S	S	*	.	S	Bend	trans	-72	-14	-174.2	49.6	0	0	0	0	115.4
82	T	52.3	Low	68.8	Low	109 Å²	109	69.9 Å²	69.9	67%	0.669	41%	0.406	S	S	*	.	S	Bend	trans	-154.6	156.6	-175.6	47.9	0	0	0	0	110.8	T80	T80-T82 VanDerWaalsContact C-N 3.27Å; T80-T82 PolarHBondContact O-N 2.89Å
83	G	59.4	Low	68.3	Low	42 Å²	42	70.6 Å²	70.6	43%	0.433	40%	0.397	S	S	.	.	S	Bend	trans	101	-174.7	165.8	0	0	0	0	0	115.8	S85 L86	G83-S85 PolarHBondContact O-N 3.29Å; G83-S85 VanDerWaalsContact O-N 3.09Å; G83-L86 PolarHBondContact O-N 2.77Å
84	P	59.1	Low	67.8	Low	92 Å²	92	68.4 Å²	68.4	60%	0.597	39%	0.394	S	S	*	.	H	α-helix	trans	-59.3	-25.4	-170.7	-26.6	35.4	0	0	0	115.1	L86 K87 R88 L243	P84-L86 VanDerWaalsContact C-N 3.3Å; P84-L86 PolarHBondContact O-N 2.91Å; P84-K87 PolarHBondContact O-N 2.97Å; P84-R88 PolarHBondContact O-N 2.72Å; P84-L243 HydrophobicContact CB-CD1 4.2Å
85	S	65	Low	67.6	Low	43 Å²	43	66.6 Å²	66.6	30%	0.301	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-32.2	176.2	46	0	0	0	0	113.4	T80 G83 Q89	T80-S85 WeakPolarHBondContact CB-OG 3.16Å; T80-S85 WeakPolarHBondContact OG1-CB 3.29Å; T80-S85 PolarHBondContact OG1-OG 2.83Å; G83-S85 PolarHBondContact O-N 3.29Å; G83-S85 VanDerWaalsContact O-N 3.09Å; S85-Q89 VanDerWaalsContact O-CG 3.31Å; S85-Q89 WeakPolarHBondContact O-CG 3.41Å; S85-Q89 PolarHBondContact O-N 3.35Å; S85-Q89 VanDerWaalsContact O-N 3.08Å
86	L	67.8	Low	67.7	Low	64 Å²	64	66 Å²	66	34%	0.335	38%	0.38	S	S	.	.	H	α-helix	trans	-68.4	-49.3	174.1	-178.6	61.9	0	0	0	110.5	G83 P84 R88 Q89 E90	G83-L86 PolarHBondContact O-N 2.77Å; P84-L86 VanDerWaalsContact C-N 3.3Å; P84-L86 PolarHBondContact O-N 2.91Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.98Å; L86-Q89 WeakPolarHBondContact O-CA 3.35Å; L86-Q89 WeakPolarHBondContact O-CB 3.28Å; L86-Q89 PolarHBondContact O-N 3.03Å; L86-E90 WeakPolarHBondContact O-CG 3.29Å; L86-E90 PolarHBondContact O-N 2.79Å
87	K	68.6	Low	68.3	Low	93 Å²	93	62.2 Å²	62.2	40%	0.404	35%	0.354	S	S	.	.	H	α-helix	trans	-58.3	-38.4	176.4	-166.1	172.1	-176	175.2	0	111.7	P84 E90 I91	P84-K87 PolarHBondContact O-N 2.97Å; K87-E90 PolarHBondContact O-N 3.2Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 VanDerWaalsContact O-CG1 3.29Å; K87-I91 WeakPolarHBondContact O-CG1 3.36Å; K87-I91 PolarHBondContact O-N 3.46Å
88	R	70.4	Confident	69	Low	90 Å²	90	64 Å²	64	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-44	172.1	-171	-179.6	-171.9	-94.2	1.6	112.3	F56 P84 L86 E90 I92	F56-R88 HydrophobicContact CD1-CG 4.24Å; F56-R88 HydrophobicContact CE1-CG 3.88Å; F56-R88 PolarHBondContact O-NH2 3.06Å; P84-R88 PolarHBondContact O-N 2.72Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.98Å; R88-E90 VanDerWaalsContact C-N 3.32Å; R88-E90 PolarHBondContact O-N 2.73Å; R88-I92 HydrophobicContact CG-CD1 3.96Å; R88-I92 WeakPolarHBondContact O-CB 3.42Å; R88-I92 WeakPolarHBondContact O-CG1 3.34Å; R88-I92 PolarHBondContact O-N 3.47Å
89	Q	71.7	Confident	70.3	Confident	22 Å²	22	58.4 Å²	58.4	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-34.8	177.3	-72.3	171.7	25.7	0	0	112.3	F75 K78 S85 L86 R93	F75-Q89 HydrophobicContact CZ-CG 4.34Å; K78-Q89 PolarHBondContact O-NE2 2.77Å; S85-Q89 VanDerWaalsContact O-CG 3.31Å; S85-Q89 WeakPolarHBondContact O-CG 3.41Å; S85-Q89 PolarHBondContact O-N 3.35Å; S85-Q89 VanDerWaalsContact O-N 3.08Å; L86-Q89 WeakPolarHBondContact O-CA 3.35Å; L86-Q89 WeakPolarHBondContact O-CB 3.28Å; L86-Q89 PolarHBondContact O-N 3.03Å; Q89-R93 VanDerWaalsContact O-CB 3.26Å; Q89-R93 WeakPolarHBondContact O-CB 3.48Å; Q89-R93 PolarHBondContact O-N 2.72Å
90	E	71.4	Confident	71.8	Confident	90 Å²	90	52.6 Å²	52.6	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-70	-43.7	176.8	-70.2	168.4	157.3	0	0	112.3	L86 K87 R88 R93 A94	L86-E90 WeakPolarHBondContact O-CG 3.29Å; L86-E90 PolarHBondContact O-N 2.79Å; K87-E90 PolarHBondContact O-N 3.2Å; R88-E90 VanDerWaalsContact C-N 3.32Å; R88-E90 PolarHBondContact O-N 2.73Å; E90-R93 WeakPolarHBondContact O-CB 3.2Å; E90-R93 PolarHBondContact O-N 3.21Å; E90-A94 PolarHBondContact O-N 2.86Å
91	I	77.3	Confident	73.7	Confident	43 Å²	43	51.8 Å²	51.8	22%	0.221	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-46.9	174.3	-63.7	162.9	0	0	0	110.5	F56 K87 R93 A94 I95	F56-I91 HydrophobicContact CE2-CG2 3.71Å; F56-I91 HydrophobicContact CZ-CB 4.25Å; F56-I91 HydrophobicContact CZ-CG2 3.68Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 VanDerWaalsContact O-CG1 3.29Å; K87-I91 WeakPolarHBondContact O-CG1 3.36Å; K87-I91 PolarHBondContact O-N 3.46Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-R93 PolarHBondContact O-N 3.27Å; I91-A94 PolarHBondContact O-N 3.17Å; I91-I95 HydrophobicContact CG2-CD1 3.97Å; I91-I95 HydrophobicContact CG2-CG1 4.48Å; I91-I95 WeakPolarHBondContact O-CG1 3.48Å; I91-I95 PolarHBondContact O-N 3.07Å
92	I	81.1	Confident	75.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-44.7	176.6	-73.7	173.8	0	0	0	110.9	I53 F56 L66 F75 R88 A94 I95 C96 L160	I53-I92 HydrophobicContact CD1-CG1 4.49Å; I53-I92 HydrophobicContact CD1-CG2 4.02Å; F56-I92 HydrophobicContact CB-CD1 4.22Å; F56-I92 HydrophobicContact CB-CG1 4.44Å; F56-I92 HydrophobicContact CD1-CD1 4.12Å; F56-I92 HydrophobicContact CD1-CG1 4.27Å; F56-I92 HydrophobicContact CD2-CD1 4.3Å; F56-I92 HydrophobicContact CD2-CG1 3.69Å; F56-I92 HydrophobicContact CE1-CG1 4.47Å; F56-I92 HydrophobicContact CE2-CG1 3.91Å; F56-I92 HydrophobicContact CG-CD1 3.95Å; F56-I92 HydrophobicContact CG-CG1 3.87Å; F56-I92 HydrophobicContact CZ-CG1 4.29Å; L66-I92 HydrophobicContact CD2-CG2 4.19Å; F75-I92 HydrophobicContact CE2-CD1 3.55Å; F75-I92 HydrophobicContact CE2-CG2 4.31Å; F75-I92 HydrophobicContact CZ-CD1 3.97Å; F75-I92 HydrophobicContact CZ-CG2 4.22Å; R88-I92 HydrophobicContact CG-CD1 3.96Å; R88-I92 WeakPolarHBondContact O-CB 3.42Å; R88-I92 WeakPolarHBondContact O-CG1 3.34Å; R88-I92 PolarHBondContact O-N 3.47Å; I92-A94 PolarHBondContact O-N 2.96Å; I92-I95 PolarHBondContact O-N 3.08Å; I92-C96 WeakPolarHBondContact O-CB 3.26Å; I92-C96 PolarHBondContact O-N 3.46Å; I92-C96 PolarHBondContact O-SG 3.13Å; I92-L160 HydrophobicContact CG2-CD2 4.13Å
93	R	77.1	Confident	77.6	Confident	52 Å²	52	50.4 Å²	50.4	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-48.1	174.7	-174.9	-172.3	-59.4	141.4	4.8	111.6	Q89 E90 I91 I95 C96 T97 P156	Q89-R93 VanDerWaalsContact O-CB 3.26Å; Q89-R93 WeakPolarHBondContact O-CB 3.48Å; Q89-R93 PolarHBondContact O-N 2.72Å; E90-R93 WeakPolarHBondContact O-CB 3.2Å; E90-R93 PolarHBondContact O-N 3.21Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-R93 PolarHBondContact O-N 3.27Å; R93-I95 PolarHBondContact O-N 3.43Å; R93-C96 PolarHBondContact O-N 3.34Å; R93-T97 PolarHBondContact O-N 2.8Å; R93-T97 PolarHBondContact O-OG1 3.34Å; R93-T97 VanDerWaalsContact O-OG1 3.06Å; R93-P156 HydrophobicContact CG-CB 4.07Å
94	A	77.5	Confident	79.3	Confident	58 Å²	58	48.4 Å²	48.4	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-40.9	179.5	0	0	0	0	0	112.6	E90 I91 I92 T97 R98	E90-A94 PolarHBondContact O-N 2.86Å; I91-A94 PolarHBondContact O-N 3.17Å; I92-A94 PolarHBondContact O-N 2.96Å; A94-T97 PolarHBondContact O-N 3.4Å; A94-R98 PolarHBondContact O-N 3.42Å
95	I	82.5	Confident	81	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-48.5	175.2	-66.1	174.6	0	0	0	110.7	I53 F56 I91 I92 R93 T97 R98 L99	I53-I95 HydrophobicContact CB-CG2 3.91Å; I53-I95 HydrophobicContact CD1-CG2 4.46Å; F56-I95 HydrophobicContact CD2-CD1 4.15Å; F56-I95 HydrophobicContact CE2-CD1 3.7Å; I91-I95 HydrophobicContact CG2-CD1 3.97Å; I91-I95 HydrophobicContact CG2-CG1 4.48Å; I91-I95 WeakPolarHBondContact O-CG1 3.48Å; I91-I95 PolarHBondContact O-N 3.07Å; I92-I95 PolarHBondContact O-N 3.08Å; R93-I95 PolarHBondContact O-N 3.43Å; I95-T97 VanDerWaalsContact C-N 3.3Å; I95-T97 PolarHBondContact O-N 3.09Å; I95-R98 PolarHBondContact O-N 3.13Å; I95-R98 VanDerWaalsContact O-N 3.1Å; I95-L99 HydrophobicContact CG2-CD1 4.04Å; I95-L99 HydrophobicContact CG2-CG 4.43Å; I95-L99 WeakPolarHBondContact O-CG 3.28Å; I95-L99 PolarHBondContact O-N 3.24Å
96	C	85.5	Confident	82.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-41.2	176.5	-68.4	0	0	0	0	112	F60 I92 R93 L99 I100 L159	F60-C96 HydrophobicContact CE2-CB 4.12Å; F60-C96 HydrophobicContact CZ-CB 3.94Å; I92-C96 WeakPolarHBondContact O-CB 3.26Å; I92-C96 PolarHBondContact O-N 3.46Å; I92-C96 PolarHBondContact O-SG 3.13Å; R93-C96 PolarHBondContact O-N 3.34Å; C96-L99 PolarHBondContact O-N 2.95Å; C96-I100 WeakPolarHBondContact O-CG1 3.07Å; C96-I100 PolarHBondContact O-N 3.09Å; C96-L159 HydrophobicContact CB-CD2 4.07Å
97	T	82.7	Confident	83.7	Confident	5 Å²	5	49 Å²	49	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-39.5	174.5	-59.4	0	0	0	0	112.5	R93 A94 I95 I100 R101 Q150 V153	R93-T97 PolarHBondContact O-N 2.8Å; R93-T97 PolarHBondContact O-OG1 3.34Å; R93-T97 VanDerWaalsContact O-OG1 3.06Å; A94-T97 PolarHBondContact O-N 3.4Å; I95-T97 VanDerWaalsContact C-N 3.3Å; I95-T97 PolarHBondContact O-N 3.09Å; T97-I100 PolarHBondContact O-N 3.36Å; T97-R101 PolarHBondContact O-N 2.84Å; T97-Q150 HydrophobicContact CG2-CB 3.89Å; T97-V153 HydrophobicContact CG2-CG2 4.01Å
98	R	83.7	Confident	85	Confident	94 Å²	94	48 Å²	48	36%	0.355	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-42.2	174	177	169.4	49.7	85.5	2.6	112.2	H51 A94 I95 I100 R101 Q102	H51-R98 PolarHBondContact O-NH1 2.93Å; H51-R98 PolarHBondContact O-NH2 3.3Å; A94-R98 PolarHBondContact O-N 3.42Å; I95-R98 PolarHBondContact O-N 3.13Å; I95-R98 VanDerWaalsContact O-N 3.1Å; R98-I100 VanDerWaalsContact C-N 3.28Å; R98-I100 PolarHBondContact O-N 2.66Å; R98-R101 PolarHBondContact O-N 3.15Å; R98-Q102 WeakPolarHBondContact O-CG 3.39Å; R98-Q102 PolarHBondContact O-N 3.28Å
99	L	87.9	Confident	86.3	Confident	33 Å²	33	43.7 Å²	43.7	17%	0.173	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-38.1	173.9	-68.8	168.7	0	0	0	111.5	I53 F60 I95 C96 Q102 R103	I53-L99 HydrophobicContact CB-CD1 3.8Å; I53-L99 HydrophobicContact CG2-CD1 3.53Å; F60-L99 HydrophobicContact CE2-CD1 4.35Å; I95-L99 HydrophobicContact CG2-CD1 4.04Å; I95-L99 HydrophobicContact CG2-CG 4.43Å; I95-L99 WeakPolarHBondContact O-CG 3.28Å; I95-L99 PolarHBondContact O-N 3.24Å; C96-L99 PolarHBondContact O-N 2.95Å; L99-Q102 PolarHBondContact O-N 3.18Å; L99-R103 WeakPolarHBondContact O-CG 3.18Å; L99-R103 PolarHBondContact O-N 2.74Å
100	I	90.4	Very high	87.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-47.1	173.2	-72	164.8	0	0	0	111.4	C96 T97 R98 Q102 R103 L104 G152 V153 L159 L166 I172	C96-I100 WeakPolarHBondContact O-CG1 3.07Å; C96-I100 PolarHBondContact O-N 3.09Å; T97-I100 PolarHBondContact O-N 3.36Å; R98-I100 VanDerWaalsContact C-N 3.28Å; R98-I100 PolarHBondContact O-N 2.66Å; I100-Q102 VanDerWaalsContact C-N 3.27Å; I100-Q102 PolarHBondContact O-N 2.89Å; I100-R103 CarbonylContact O-C 2.97Å; I100-R103 PolarHBondContact O-N 3.29Å; I100-R103 VanDerWaalsContact O-N 3.13Å; I100-L104 HydrophobicContact CG2-CD1 4.11Å; I100-L104 HydrophobicContact CG2-CG 4.38Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 3.39Å; I100-G152 WeakPolarHBondContact CG2-O 3.25Å; I100-V153 HydrophobicContact CD1-CG2 3.81Å; I100-L159 HydrophobicContact CD1-CD1 3.66Å; I100-L159 HydrophobicContact CD1-CD2 3.51Å; I100-L159 HydrophobicContact CD1-CG 4.25Å; I100-L166 HydrophobicContact CD1-CD2 3.83Å; I100-L166 HydrophobicContact CG1-CD2 3.62Å; I100-I172 HydrophobicContact CG1-CD1 4.35Å; I100-I172 HydrophobicContact CG2-CD1 4.33Å; I100-I172 HydrophobicContact CG2-CG1 4.31Å
101	R	88.7	Confident	88.3	Confident	35 Å²	35	44 Å²	44	13%	0.132	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-41.3	174.9	-69.9	-167	-172.6	93.1	2.4	111.6	T97 R98 L104 F105 L127 E192	T97-R101 PolarHBondContact O-N 2.84Å; R98-R101 PolarHBondContact O-N 3.15Å; R101-L104 WeakPolarHBondContact O-CB 3.37Å; R101-L104 PolarHBondContact O-N 2.89Å; R101-F105 HydrophobicContact CB-CE2 4.26Å; R101-F105 HydrophobicContact CB-CZ 4.41Å; R101-F105 VanDerWaalsContact O-CD2 3.3Å; R101-F105 WeakPolarHBondContact O-CD2 3.35Å; R101-F105 VanDerWaalsContact O-CG 3.25Å; R101-F105 WeakPolarHBondContact O-CG 3.37Å; R101-F105 PolarHBondContact O-N 3.14Å; R101-L127 HydrophobicContact CG-CD1 4.41Å; R101-E192 IonicContact CZ-OE1 3.01Å; R101-E192 IonicContact CZ-OE2 3.24Å; R101-E192 IonicContact NE-OE1 3.23Å; R101-E192 PolarHBondContact NE-OE1 3.35Å; R101-E192 IonicContact NH2-OE1 3.83Å; R101-E192 PolarHBondContact NH2-OE1 2.87Å; R101-E192 IonicContact NH2-OE2 4Å; R101-E192 PolarHBondContact NH2-OE2 3.15Å
102	Q	89.5	Confident	88.9	Confident	98 Å²	98	43.7 Å²	43.7	46%	0.458	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-44.6	174.5	-71.2	173.2	-37.5	0	0	112.4	R98 L99 I100 L104 F105 A106	R98-Q102 WeakPolarHBondContact O-CG 3.39Å; R98-Q102 PolarHBondContact O-N 3.28Å; L99-Q102 PolarHBondContact O-N 3.18Å; I100-Q102 VanDerWaalsContact C-N 3.27Å; I100-Q102 PolarHBondContact O-N 2.89Å; Q102-L104 VanDerWaalsContact C-N 3.28Å; Q102-L104 PolarHBondContact O-N 2.85Å; Q102-F105 PolarHBondContact O-N 2.86Å; Q102-A106 PolarHBondContact O-N 3.08Å
103	R	93.3	Very high	89.2	Confident	97 Å²	97	48.2 Å²	48.2	37%	0.366	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-32	173.8	-70.7	-179.1	-173.7	-145.1	2.2	112.2	L99 I100 L107 I172	L99-R103 WeakPolarHBondContact O-CG 3.18Å; L99-R103 PolarHBondContact O-N 2.74Å; I100-R103 CarbonylContact O-C 2.97Å; I100-R103 PolarHBondContact O-N 3.29Å; I100-R103 VanDerWaalsContact O-N 3.13Å; R103-L107 WeakPolarHBondContact O-CG 3.47Å; R103-L107 PolarHBondContact O-N 2.84Å; R103-I172 HydrophobicContact CB-CD1 3.86Å
104	L	94.3	Very high	89.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.4	-42.2	173.1	-69	174.7	0	0	0	112.4	I100 R101 Q102 A106 L107 M109 L127 I172 V175	I100-L104 HydrophobicContact CG2-CD1 4.11Å; I100-L104 HydrophobicContact CG2-CG 4.38Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 3.39Å; R101-L104 WeakPolarHBondContact O-CB 3.37Å; R101-L104 PolarHBondContact O-N 2.89Å; Q102-L104 VanDerWaalsContact C-N 3.28Å; Q102-L104 PolarHBondContact O-N 2.85Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 2.95Å; L104-L107 CarbonylContact O-C 3.56Å; L104-L107 WeakPolarHBondContact O-CA 3.4Å; L104-L107 WeakPolarHBondContact O-CB 3.44Å; L104-L107 PolarHBondContact O-N 3.07Å; L104-M109 HydrophobicContact CB-CB 4.39Å; L104-M109 HydrophobicContact CB-CG 4.25Å; L104-M109 VanDerWaalsContact O-CB 3.24Å; L104-M109 WeakPolarHBondContact O-CB 3.28Å; L104-M109 VanDerWaalsContact O-CG 3.32Å; L104-M109 WeakPolarHBondContact O-CG 3.47Å; L104-M109 PolarHBondContact O-N 3.24Å; L104-L127 HydrophobicContact CD1-CD1 4.04Å; L104-I172 HydrophobicContact CD2-CG1 3.99Å; L104-I172 HydrophobicContact CG-CG1 4.37Å; L104-V175 HydrophobicContact CD2-CB 4.04Å; L104-V175 HydrophobicContact CD2-CG1 4.37Å; L104-V175 HydrophobicContact CD2-CG2 3.84Å
105	F	94.7	Very high	89.7	Confident	78 Å²	78	45.6 Å²	45.6	34%	0.342	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-32.6	176.1	-60.7	-33.6	0	0	0	112.9	R101 Q102 L107 M109 L127	R101-F105 HydrophobicContact CB-CE2 4.26Å; R101-F105 HydrophobicContact CB-CZ 4.41Å; R101-F105 VanDerWaalsContact O-CD2 3.3Å; R101-F105 WeakPolarHBondContact O-CD2 3.35Å; R101-F105 VanDerWaalsContact O-CG 3.25Å; R101-F105 WeakPolarHBondContact O-CG 3.37Å; R101-F105 PolarHBondContact O-N 3.14Å; Q102-F105 PolarHBondContact O-N 2.86Å; F105-L107 VanDerWaalsContact C-N 3.28Å; F105-M109 WeakPolarHBondContact CA-O 3.21Å; F105-M109 HydrophobicContact CD1-CB 4.46Å; F105-L127 HydrophobicContact CE1-CD2 4.02Å; F105-L127 HydrophobicContact CZ-CD2 4.31Å
106	A	94.6	Very high	89.4	Confident	88 Å²	88	45.5 Å²	45.5	73%	0.727	23%	0.234	S	C	*	.	H	α-helix	trans	-64.8	-31.2	169.1	0	0	0	0	0	112.6	Q102 L104 N108	Q102-A106 PolarHBondContact O-N 3.08Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 2.95Å; A106-N108 PolarHBondContact O-N 3.05Å
107	L	95.4	Very high	88.7	Confident	44 Å²	44	46.2 Å²	46.2	23%	0.23	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	41.8	176.2	-67.1	169.3	0	0	0	112.9	R103 L104 F105 M109 I172 V175 K176 H179	R103-L107 WeakPolarHBondContact O-CG 3.47Å; R103-L107 PolarHBondContact O-N 2.84Å; L104-L107 CarbonylContact O-C 3.56Å; L104-L107 WeakPolarHBondContact O-CA 3.4Å; L104-L107 WeakPolarHBondContact O-CB 3.44Å; L104-L107 PolarHBondContact O-N 3.07Å; F105-L107 VanDerWaalsContact C-N 3.28Å; L107-M109 PolarHBondContact O-N 3.09Å; L107-M109 VanDerWaalsContact O-N 3.15Å; L107-I172 HydrophobicContact CD1-CG2 3.77Å; L107-V175 HydrophobicContact CB-CG1 4.31Å; L107-K176 HydrophobicContact CD1-CG 3.88Å; L107-K176 HydrophobicContact CD2-CG 4.07Å; L107-H179 PolarHBondContact O-CE1 3.24Å; L107-H179 PolarHBondContact O-ND1 3.32Å; L107-H179 PolarHBondContact O-NE2 3.06Å
108	N	95.7	Very high	87.9	Confident	72 Å²	72	47 Å²	47	39%	0.385	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	26.7	177.1	-164.3	41	0	0	0	115.5	A106 S129 K130 H179	A106-N108 PolarHBondContact O-N 3.05Å; N108-S129 WeakPolarHBondContact O-CA 3.23Å; N108-K130 PolarHBondContact O-N 3.17Å; N108-K130 WeakPolarHBondContact OD1-CD 3.49Å; N108-H179 VanDerWaalsContact C-NE2 3.34Å; N108-H179 PolarHBondContact O-NE2 3.03Å
109	M	96.9	Very high	87.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	162.9	167.2	-54.3	-69.9	-78.1	0	0	111	L104 F105 L107 L127 H128 S129 K130 V175 H179 I185 I187	L104-M109 HydrophobicContact CB-CB 4.39Å; L104-M109 HydrophobicContact CB-CG 4.25Å; L104-M109 VanDerWaalsContact O-CB 3.24Å; L104-M109 WeakPolarHBondContact O-CB 3.28Å; L104-M109 VanDerWaalsContact O-CG 3.32Å; L104-M109 WeakPolarHBondContact O-CG 3.47Å; L104-M109 PolarHBondContact O-N 3.24Å; F105-M109 WeakPolarHBondContact CA-O 3.21Å; F105-M109 HydrophobicContact CD1-CB 4.46Å; L107-M109 PolarHBondContact O-N 3.09Å; L107-M109 VanDerWaalsContact O-N 3.15Å; M109-L127 HydrophobicContact CE-CB 4.42Å; M109-H128 CarbonylContact C-O 3.43Å; M109-H128 VanDerWaalsContact CA-O 3.26Å; M109-H128 WeakPolarHBondContact CA-O 3.24Å; M109-S129 PolarHBondContact SD-N 3.14Å; M109-K130 WeakPolarHBondContact O-CE 3.41Å; M109-V175 HydrophobicContact CE-CG2 4.15Å; M109-V175 HydrophobicContact CG-CG1 3.74Å; M109-V175 HydrophobicContact SD-CG1 3.64Å; M109-V175 HydrophobicContact SD-CG2 4.28Å; M109-H179 PolarHBondContact SD-NE2 3.29Å; M109-I185 HydrophobicContact CE-CG2 4.03Å; M109-I185 HydrophobicContact SD-CG2 3.91Å; M109-I187 HydrophobicContact CE-CD1 4.22Å; M109-I187 HydrophobicContact CE-CG1 4.47Å
110	E	94.3	Very high	86.2	Confident	74 Å²	74	47.9 Å²	47.9	35%	0.346	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-174.2	165.6	64.7	-168.8	-179.8	0	0	110	L127 H128 K130	E110-L127 WeakPolarHBondContact O-CA 3.36Å; E110-H128 VanDerWaalsContact CG-CE1 3.48Å; E110-H128 WeakPolarHBondContact CG-CE1 3.45Å; E110-H128 PolarHBondContact N-O 2.9Å; E110-H128 PolarHBondContact O-N 3.45Å; E110-H128 IonicContact OE1-CE1 2.68Å; E110-H128 PolarHBondContact OE1-CE1 2.85Å; E110-H128 VanDerWaalsContact OE1-CE1 3.23Å; E110-H128 IonicContact OE1-ND1 3.55Å; E110-K130 HydrophobicContact CB-CG 4.06Å; E110-K130 HydrophobicContact CG-CG 4Å
111	S	91	Very high	85.1	Confident	45 Å²	45	53.7 Å²	53.7	32%	0.315	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	107.1	-172.7	164.2	0	0	0	0	110.3	R125 V126	S111-R125 VanDerWaalsContact OG-CD 3.25Å; S111-R125 WeakPolarHBondContact OG-CD 3.14Å; S111-R125 VanDerWaalsContact OG-CG 3.24Å; S111-R125 WeakPolarHBondContact OG-CG 3.35Å; S111-V126 WeakPolarHBondContact CA-O 3.43Å
112	S	89.8	Confident	84.3	Confident	36 Å²	36	54.9 Å²	54.9	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.9	170.5	-70.4	0	0	0	0	111.5	V126 H128	S112-V126 PolarHBondContact N-O 3.11Å; S112-V126 PolarHBondContact O-N 2.92Å; S112-H128 WeakPolarHBondContact CB-NE2 3.49Å; S112-H128 PolarHBondContact OG-NE2 2.8Å
113	Q	87.4	Confident	83.7	Confident	95 Å²	95	51.7 Å²	51.7	44%	0.444	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.5	162.1	-57.8	-169.4	17.5	0	0	107.8	C123 V194	Q113-C123 HydrophobicContact CB-CB 4.13Å; Q113-V194 HydrophobicContact CB-CG2 4.23Å; Q113-V194 HydrophobicContact CG-CG2 3.78Å
114	I	85.4	Confident	83.1	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.072	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119	-176.5	-56.6	-173.6	0	0	0	107.9	C123 M124 V126 I509 Q512 L513	I114-C123 WeakPolarHBondContact O-CA 3.42Å; I114-M124 PolarHBondContact N-O 3.35Å; I114-M124 PolarHBondContact O-N 3.14Å; I114-V126 HydrophobicContact CD1-CB 4.07Å; I114-V126 HydrophobicContact CD1-CG2 3.86Å; I114-V126 HydrophobicContact CG1-CG2 4.38Å; I114-I509 HydrophobicContact CB-CD1 3.92Å; I114-I509 HydrophobicContact CG2-CD1 3.64Å; I114-I509 WeakPolarHBondContact O-CD1 3.2Å; I114-Q512 HydrophobicContact CG2-CB 4.18Å; I114-L513 HydrophobicContact CD1-CD2 3.4Å; I114-L513 VanDerWaalsContact CD1-CD2 3.4Å; I114-L513 HydrophobicContact CD1-CG 3.99Å
115	P	81.4	Confident	82.7	Confident	40 Å²	40	49.7 Å²	49.7	26%	0.26	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.2	-178.5	28	-33.8	0	0	0	110	Q512	P115-Q512 PolarHBondContact O-NE2 3.34Å; P115-Q512 PolarHBondContact O-OE1 2.9Å
116	I	75.8	Confident	82.5	Confident	5 Å²	5	46 Å²	46	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.1	174.1	-59.5	159.1	0	0	0	107.9	G118 H119 H122 M124 I500 R505 I509	I116-G118 PolarHBondContact O-N 2.61Å; I116-H119 CarbonylContact O-C 3.47Å; I116-H119 VanDerWaalsContact O-C 3.23Å; I116-H119 WeakPolarHBondContact O-CA 3.38Å; I116-H119 PolarHBondContact O-N 2.61Å; I116-H122 HydrophobicContact CD1-CB 4.01Å; I116-H122 WeakPolarHBondContact CG1-O 3.49Å; I116-H122 PolarHBondContact N-O 2.97Å; I116-M124 HydrophobicContact CD1-CG 4.02Å; I116-M124 HydrophobicContact CD1-SD 4.35Å; I116-M124 HydrophobicContact CG1-CG 4.07Å; I116-M124 HydrophobicContact CG1-SD 4.27Å; I116-I500 HydrophobicContact CB-CD1 4.29Å; I116-I500 HydrophobicContact CD1-CD1 3.91Å; I116-I500 HydrophobicContact CG2-CD1 3.91Å; I116-I500 HydrophobicContact CG2-CG2 4.4Å; I116-R505 HydrophobicContact CD1-CG 3.89Å; I116-I509 HydrophobicContact CG1-CD1 4.26Å
117	P	69.5	Low	82.4	Confident	15 Å²	15	41.8 Å²	41.8	10%	0.097	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	140.9	176.8	-23.4	30.8	0	0	0	112.6	H119 G508 Q512 H835 V838	P117-H119 PolarHBondContact O-N 3.15Å; P117-H119 VanDerWaalsContact O-N 3.13Å; P117-G508 WeakPolarHBondContact CD-O 3.23Å; P117-G508 WeakPolarHBondContact CG-O 3.33Å; P117-Q512 HydrophobicContact CG-CG 4.22Å; P117-H835 CarbonylContact C-O 3.46Å; P117-V838 WeakPolarHBondContact O-CG2 3.41Å
118	G	67.5	Low	82.5	Confident	22 Å²	22	39.7 Å²	39.7	23%	0.227	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-16.9	-173.7	0	0	0	0	0	115.6	I116 H835	I116-G118 PolarHBondContact O-N 2.61Å; G118-H835 WeakPolarHBondContact CA-ND1 3.49Å
119	H	68.3	Low	82.6	Confident	44 Å²	44	36.3 Å²	36.3	20%	0.204	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	67.3	-177.7	-62.6	-88.2	0	0	0	110.9	I116 P117 T121 H122 I500	I116-H119 CarbonylContact O-C 3.47Å; I116-H119 VanDerWaalsContact O-C 3.23Å; I116-H119 WeakPolarHBondContact O-CA 3.38Å; I116-H119 PolarHBondContact O-N 2.61Å; P117-H119 PolarHBondContact O-N 3.15Å; P117-H119 VanDerWaalsContact O-N 3.13Å; H119-T121 PolarHBondContact O-N 3.02Å; H119-T121 VanDerWaalsContact O-N 3.09Å; H119-H122 HydrophobicContact CB-CB 4.24Å; H119-H122 PolarHBondContact O-N 3.16Å; H119-I500 HydrophobicContact CB-CD1 3.67Å; H119-I500 VanDerWaalsContact CD2-CD1 3.43Å; H119-I500 WeakPolarHBondContact CD2-CD1 3.48Å; H119-I500 VanDerWaalsContact CG-CD1 3.43Å
120	P	65.9	Low	82.6	Confident	101 Å²	101	41.4 Å²	41.4	66%	0.656	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	-19.5	-171.8	26.8	-36	0	0	0	114.4	H122	P120-H122 VanDerWaalsContact C-N 3.26Å; P120-H122 PolarHBondContact O-N 3.1Å
121	T	68.7	Low	82.6	Confident	124 Å²	124	40.4 Å²	40.4	76%	0.761	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	-9.6	172.9	52	0	0	0	0	113.7	H119	H119-T121 PolarHBondContact O-N 3.02Å; H119-T121 VanDerWaalsContact O-N 3.09Å
122	H	70.2	Confident	82.9	Confident	60 Å²	60	38.3 Å²	38.3	28%	0.278	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105	-177.4	-66.2	57.9	0	0	0	109.7	I116 H119 P120	I116-H122 HydrophobicContact CD1-CB 4.01Å; I116-H122 WeakPolarHBondContact CG1-O 3.49Å; I116-H122 PolarHBondContact N-O 2.97Å; H119-H122 HydrophobicContact CB-CB 4.24Å; H119-H122 PolarHBondContact O-N 3.16Å; P120-H122 VanDerWaalsContact C-N 3.26Å; P120-H122 PolarHBondContact O-N 3.1Å
123	C	76.8	Confident	83.2	Confident	31 Å²	31	39.2 Å²	39.2	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.7	175.2	-71	0	0	0	0	111.9	Q113 I114 V194	Q113-C123 HydrophobicContact CB-CB 4.13Å; I114-C123 WeakPolarHBondContact O-CA 3.42Å; C123-V194 HydrophobicContact CB-CB 4.4Å; C123-V194 HydrophobicContact CB-CG2 3.78Å; C123-V194 PolarHBondContact O-N 3.32Å; C123-V194 VanDerWaalsContact O-N 3.17Å
124	M	81.7	Confident	83.6	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	146.4	162.6	-72.3	178.9	57.3	0	0	110.2	I114 I116 I188 N189 R505 L506 I509	I114-M124 PolarHBondContact N-O 3.35Å; I114-M124 PolarHBondContact O-N 3.14Å; I116-M124 HydrophobicContact CD1-CG 4.02Å; I116-M124 HydrophobicContact CD1-SD 4.35Å; I116-M124 HydrophobicContact CG1-CG 4.07Å; I116-M124 HydrophobicContact CG1-SD 4.27Å; M124-I188 HydrophobicContact CE-CG2 3.95Å; M124-N189 WeakPolarHBondContact CE-O 3.5Å; M124-R505 HydrophobicContact SD-CB 3.7Å; M124-R505 HydrophobicContact SD-CG 4.43Å; M124-L506 HydrophobicContact CE-CD2 4.42Å; M124-I509 HydrophobicContact CB-CD1 4.01Å; M124-I509 HydrophobicContact CB-CG1 4.06Å; M124-I509 HydrophobicContact CE-CG1 4.06Å; M124-I509 HydrophobicContact CG-CD1 4.34Å; M124-I509 HydrophobicContact CG-CG1 4.19Å; M124-I509 HydrophobicContact SD-CD1 4.14Å; M124-I509 HydrophobicContact SD-CG1 3.41Å; M124-I509 WeakPolarHBondContact SD-CG1 3.26Å
125	R	85.6	Confident	84.1	Confident	51 Å²	51	40.3 Å²	40.3	19%	0.192	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.1	170.1	-166.3	179	-67	120.9	-0.9	110.1	S111 E192 V194	S111-R125 VanDerWaalsContact OG-CD 3.25Å; S111-R125 WeakPolarHBondContact OG-CD 3.14Å; S111-R125 VanDerWaalsContact OG-CG 3.24Å; S111-R125 WeakPolarHBondContact OG-CG 3.35Å; R125-E192 HydrophobicContact CB-CG 4.16Å; R125-E192 WeakPolarHBondContact CD-OE1 3.37Å; R125-E192 IonicContact CZ-OE1 3.48Å; R125-E192 PolarHBondContact N-O 2.92Å; R125-E192 VanDerWaalsContact N-O 3.1Å; R125-E192 IonicContact NE-OE1 3.95Å; R125-E192 IonicContact NH1-OE1 2.79Å; R125-E192 PolarHBondContact NH1-OE1 2.69Å; R125-V194 HydrophobicContact CB-CG2 4.49Å
126	V	90.7	Very high	84.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.5	171.6	178.4	0	0	0	0	108.9	S111 S112 I114 A186 I188 I509 L513	S111-V126 WeakPolarHBondContact CA-O 3.43Å; S112-V126 PolarHBondContact N-O 3.11Å; S112-V126 PolarHBondContact O-N 2.92Å; I114-V126 HydrophobicContact CD1-CB 4.07Å; I114-V126 HydrophobicContact CD1-CG2 3.86Å; I114-V126 HydrophobicContact CG1-CG2 4.38Å; V126-A186 HydrophobicContact CG1-CB 4.3Å; V126-I188 HydrophobicContact CG1-CG1 4.03Å; V126-I188 HydrophobicContact CG2-CG1 4.25Å; V126-I188 HydrophobicContact CG2-CG2 4.31Å; V126-I509 HydrophobicContact CG2-CG2 3.84Å; V126-L513 HydrophobicContact CG1-CD1 4.42Å
127	L	93.3	Very high	85.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.3	171.1	-55.5	-177.6	0	0	0	108.5	R101 L104 F105 M109 E110 A151 A186 I187	R101-L127 HydrophobicContact CG-CD1 4.41Å; L104-L127 HydrophobicContact CD1-CD1 4.04Å; F105-L127 HydrophobicContact CE1-CD2 4.02Å; F105-L127 HydrophobicContact CZ-CD2 4.31Å; M109-L127 HydrophobicContact CE-CB 4.42Å; E110-L127 WeakPolarHBondContact O-CA 3.36Å; L127-A151 HydrophobicContact CD1-CB 3.66Å; L127-A151 HydrophobicContact CG-CB 3.93Å; L127-A186 CarbonylContact O-C 3.53Å; L127-A186 WeakPolarHBondContact O-CA 3.46Å; L127-I187 HydrophobicContact CB-CB 4.36Å; L127-I187 PolarHBondContact N-O 2.73Å; L127-I187 PolarHBondContact O-N 3.5Å
128	H	96.4	Very high	87.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.5	179.8	58.7	80.5	0	0	0	112.8	M109 E110 S112 F132 F133 I185 A186	M109-H128 CarbonylContact C-O 3.43Å; M109-H128 VanDerWaalsContact CA-O 3.26Å; M109-H128 WeakPolarHBondContact CA-O 3.24Å; E110-H128 VanDerWaalsContact CG-CE1 3.48Å; E110-H128 WeakPolarHBondContact CG-CE1 3.45Å; E110-H128 PolarHBondContact N-O 2.9Å; E110-H128 PolarHBondContact O-N 3.45Å; E110-H128 IonicContact OE1-CE1 2.68Å; E110-H128 PolarHBondContact OE1-CE1 2.85Å; E110-H128 VanDerWaalsContact OE1-CE1 3.23Å; E110-H128 IonicContact OE1-ND1 3.55Å; S112-H128 WeakPolarHBondContact CB-NE2 3.49Å; S112-H128 PolarHBondContact OG-NE2 2.8Å; H128-F132 HydrophobicContact CB-CB 4Å; H128-F132 HydrophobicContact CB-CD1 4.33Å; H128-F132 HydrophobicContact CB-CG 4.05Å; H128-F133 AromaticContact CE1-CE2 3.74Å; H128-F133 AromaticContact NE2-CE2 3.86Å; H128-I185 CarbonylContact C-O 3.37Å; H128-I185 WeakPolarHBondContact CA-O 3.27Å; H128-A186 HydrophobicContact CB-CB 3.9Å
129	S	97.7	Very high	88.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	144.6	170.3	-45.9	0	0	0	0	110.2	N108 M109 N131 F132 A184 I185	N108-S129 WeakPolarHBondContact O-CA 3.23Å; M109-S129 PolarHBondContact SD-N 3.14Å; S129-N131 VanDerWaalsContact CB-OD1 3.26Å; S129-N131 WeakPolarHBondContact CB-OD1 3.41Å; S129-N131 PolarHBondContact O-N 3.28Å; S129-N131 VanDerWaalsContact O-N 3.13Å; S129-F132 WeakPolarHBondContact O-CB 3.35Å; S129-F132 PolarHBondContact O-N 2.75Å; S129-A184 WeakPolarHBondContact OG-CA 3.42Å; S129-I185 PolarHBondContact N-O 3.23Å; S129-I185 PolarHBondContact OG-N 2.9Å; S129-I185 PolarHBondContact OG-O 2.63Å
130	K	96.3	Very high	90	Very high	108 Å²	108	45 Å²	45	47%	0.47	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.7	-179.7	-59.3	-174	-175.2	170.8	0	114.2	N108 M109 E110	N108-K130 PolarHBondContact O-N 3.17Å; N108-K130 WeakPolarHBondContact OD1-CD 3.49Å; M109-K130 WeakPolarHBondContact O-CE 3.41Å; E110-K130 HydrophobicContact CB-CG 4.06Å; E110-K130 HydrophobicContact CG-CG 4Å
131	N	95.5	Very high	91.5	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.283	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	6.1	175.2	68.2	-32.9	0	0	0	113.7	S129 F133 T134 H135	S129-N131 VanDerWaalsContact CB-OD1 3.26Å; S129-N131 WeakPolarHBondContact CB-OD1 3.41Å; S129-N131 PolarHBondContact O-N 3.28Å; S129-N131 VanDerWaalsContact O-N 3.13Å; N131-F133 VanDerWaalsContact C-N 3.34Å; N131-F133 PolarHBondContact O-N 3.44Å; N131-T134 CarbonylContact O-C 3.56Å; N131-T134 PolarHBondContact O-N 3.31Å; N131-T134 PolarHBondContact O-OG1 2.93Å; N131-T134 VanDerWaalsContact O-OG1 3.05Å; N131-H135 PolarHBondContact ND2-ND1 2.92Å; N131-H135 WeakPolarHBondContact O-CB 3.44Å; N131-H135 PolarHBondContact O-N 3.04Å
132	F	96.9	Very high	92.8	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-45.5	-167.6	178.7	-100.4	0	0	0	113.9	H128 S129 I139 I141 A184 A186 L513 C517	H128-F132 HydrophobicContact CB-CB 4Å; H128-F132 HydrophobicContact CB-CD1 4.33Å; H128-F132 HydrophobicContact CB-CG 4.05Å; S129-F132 WeakPolarHBondContact O-CB 3.35Å; S129-F132 PolarHBondContact O-N 2.75Å; F132-I139 HydrophobicContact CD2-CB 4.47Å; F132-I139 HydrophobicContact CE2-CB 3.97Å; F132-I139 HydrophobicContact CE2-CD1 4.01Å; F132-I139 HydrophobicContact CE2-CG1 4.44Å; F132-I139 HydrophobicContact CE2-CG2 4.43Å; F132-I139 HydrophobicContact CZ-CD1 3.92Å; F132-I141 HydrophobicContact CE2-CG1 4.48Å; F132-I141 HydrophobicContact CZ-CD1 4.37Å; F132-I141 HydrophobicContact CZ-CG1 4.07Å; F132-A184 HydrophobicContact CD2-CB 4.13Å; F132-A186 HydrophobicContact CD1-CB 4.41Å; F132-A186 HydrophobicContact CD2-CB 4.04Å; F132-A186 HydrophobicContact CE1-CB 3.92Å; F132-A186 HydrophobicContact CE2-CB 3.5Å; F132-A186 HydrophobicContact CG-CB 4.46Å; F132-A186 HydrophobicContact CZ-CB 3.44Å; F132-A186 VanDerWaalsContact CZ-CB 3.44Å; F132-L513 HydrophobicContact CE1-CD2 4.49Å; F132-C517 WeakPolarHBondContact CE1-SG 3.23Å
133	F	95.7	Very high	93.9	Very high	55 Å²	55	31.7 Å²	31.7	24%	0.241	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.5	178.9	-58.6	-72.1	0	0	0	114	H128 N131 L513 H516 A518	H128-F133 AromaticContact CE1-CE2 3.74Å; H128-F133 AromaticContact NE2-CE2 3.86Å; N131-F133 VanDerWaalsContact C-N 3.34Å; N131-F133 PolarHBondContact O-N 3.44Å; F133-L513 HydrophobicContact CE1-CD2 3.56Å; F133-L513 HydrophobicContact CZ-CD2 3.54Å; F133-H516 HydrophobicContact CD1-CB 3.96Å; F133-H516 HydrophobicContact CE1-CB 4.35Å; F133-A518 VanDerWaalsContact O-CB 3.31Å; F133-A518 WeakPolarHBondContact O-CB 3.28Å; F133-A518 PolarHBondContact O-N 2.97Å
134	T	96.4	Very high	94.4	Very high	93 Å²	93	30.4 Å²	30.4	57%	0.571	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.8	180	51.8	0	0	0	0	113.4	N131 K136	N131-T134 CarbonylContact O-C 3.56Å; N131-T134 PolarHBondContact O-N 3.31Å; N131-T134 PolarHBondContact O-OG1 2.93Å; N131-T134 VanDerWaalsContact O-OG1 3.05Å; T134-K136 PolarHBondContact O-N 2.77Å
135	H	96.6	Very high	93.5	Very high	39 Å²	39	30.6 Å²	30.6	18%	0.181	15%	0.154	C	C	.	.			trans	-67.2	125.8	-178.5	-160.5	53.8	0	0	0	111.5	N131 G137 P138 I139 G182 A184 A518 S519	N131-H135 PolarHBondContact ND2-ND1 2.92Å; N131-H135 WeakPolarHBondContact O-CB 3.44Å; N131-H135 PolarHBondContact O-N 3.04Å; H135-G137 PolarHBondContact CD2-O 3.5Å; H135-P138 PolarHBondContact CD2-O 3.18Å; H135-I139 HydrophobicContact CB-CG2 4.33Å; H135-G182 PolarHBondContact CE1-O 3.09Å; H135-G182 VanDerWaalsContact CE1-O 3.3Å; H135-G182 PolarHBondContact NE2-O 3.47Å; H135-A184 HydrophobicContact CB-CB 3.98Å; H135-A518 CarbonylContact O-C 3.53Å; H135-S519 WeakPolarHBondContact O-CB 3.42Å; H135-S519 PolarHBondContact O-N 3.04Å
136	K	96.1	Very high	92.4	Very high	175 Å²	175	28.7 Å²	28.7	76%	0.761	15%	0.15	S	C	*	.			trans	-90.6	-24	175.6	-64	-177.6	178.7	-179.1	0	112.7	T134	T134-K136 PolarHBondContact O-N 2.77Å
137	G	95.9	Very high	91.1	Very high	23 Å²	23	30.9 Å²	30.9	24%	0.237	17%	0.173	C	C	.	.	S	Bend	trans	-73.8	-173.5	176.7	0	0	0	0	0	112.8	H135 S519	H135-G137 PolarHBondContact CD2-O 3.5Å; G137-S519 WeakPolarHBondContact O-CB 3.29Å; G137-S519 PolarHBondContact O-OG 3.33Å
138	P	97.4	Very high	89.5	Confident	27 Å²	27	36.6 Å²	36.6	18%	0.175	20%	0.202	C	C	.	.			trans	-60.8	144.1	-177.8	-21.7	33.1	0	0	0	113	H135 Y183 A184 H521 L523 L1002	H135-P138 PolarHBondContact CD2-O 3.18Å; P138-Y183 HydrophobicContact CB-CD1 3.67Å; P138-Y183 HydrophobicContact CB-CE1 3.87Å; P138-Y183 HydrophobicContact CB-CG 4.06Å; P138-Y183 HydrophobicContact CG-CD1 3.87Å; P138-Y183 HydrophobicContact CG-CE1 3.77Å; P138-Y183 VanDerWaalsContact O-CA 3.31Å; P138-Y183 WeakPolarHBondContact O-CA 3.48Å; P138-A184 PolarHBondContact O-N 3.4Å; P138-H521 WeakPolarHBondContact CA-O 3.27Å; P138-H521 HydrophobicContact CB-CB 4.27Å; P138-H521 HydrophobicContact CG-CB 4.36Å; P138-L523 HydrophobicContact CB-CD1 4.24Å; P138-L1002 HydrophobicContact CB-CD1 3.77Å; P138-L1002 HydrophobicContact CB-CD2 4.3Å; P138-L1002 HydrophobicContact CG-CD1 3.55Å; P138-L1002 HydrophobicContact CG-CD2 4.16Å; P138-L1002 HydrophobicContact CG-CG 4.5Å
139	I	98.2	Very high	88	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.5	175.2	65.9	174.4	0	0	0	111.5	F132 H135 A184 C517 H521 I522 L523	F132-I139 HydrophobicContact CD2-CB 4.47Å; F132-I139 HydrophobicContact CE2-CB 3.97Å; F132-I139 HydrophobicContact CE2-CD1 4.01Å; F132-I139 HydrophobicContact CE2-CG1 4.44Å; F132-I139 HydrophobicContact CE2-CG2 4.43Å; F132-I139 HydrophobicContact CZ-CD1 3.92Å; H135-I139 HydrophobicContact CB-CG2 4.33Å; I139-A184 CarbonylContact C-O 3.58Å; I139-A184 VanDerWaalsContact CA-O 3.25Å; I139-A184 WeakPolarHBondContact CA-O 3.4Å; I139-A184 HydrophobicContact CG2-CB 4.06Å; I139-C517 HydrophobicContact CD1-CB 3.89Å; I139-H521 PolarHBondContact N-O 2.98Å; I139-I522 HydrophobicContact CD1-CD1 4.23Å; I139-I522 HydrophobicContact CD1-CG1 3.98Å; I139-I522 HydrophobicContact CG1-CB 4.28Å; I139-I522 HydrophobicContact CG1-CG1 3.93Å; I139-I522 HydrophobicContact CG1-CG2 4.24Å; I139-L523 WeakPolarHBondContact O-CB 3.47Å; I139-L523 PolarHBondContact O-N 2.9Å
140	I	98.1	Very high	87	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.9	171.7	-66.7	174.9	0	0	0	109.5	A178 Y183 A184 I185 A186 L523 F995 F998	I140-A178 HydrophobicContact CD1-CB 4.38Å; I140-Y183 HydrophobicContact CD1-CD2 3.87Å; I140-Y183 HydrophobicContact CG1-CD2 4.14Å; I140-A184 PolarHBondContact N-O 3.13Å; I140-I185 HydrophobicContact CB-CB 4.26Å; I140-I185 HydrophobicContact CB-CD1 4.12Å; I140-I185 HydrophobicContact CB-CG1 3.95Å; I140-I185 HydrophobicContact CG2-CD1 3.81Å; I140-I185 HydrophobicContact CG2-CG1 3.95Å; I140-I185 CarbonylContact O-C 3.51Å; I140-I185 VanDerWaalsContact O-CA 3.31Å; I140-I185 WeakPolarHBondContact O-CA 3.43Å; I140-A186 PolarHBondContact O-N 3.35Å; I140-L523 CarbonylContact C-O 3.56Å; I140-L523 WeakPolarHBondContact CA-O 3.39Å; I140-L523 HydrophobicContact CG1-CB 4.13Å; I140-L523 HydrophobicContact CG1-CD1 4.03Å; I140-F995 HydrophobicContact CD1-CD1 4.43Å; I140-F995 HydrophobicContact CD1-CE1 3.53Å; I140-F995 HydrophobicContact CD1-CZ 3.62Å; I140-F998 HydrophobicContact CD1-CD2 4.09Å; I140-F998 HydrophobicContact CD1-CE2 3.96Å; I140-F998 HydrophobicContact CG1-CD2 4.34Å; I140-F998 HydrophobicContact CG1-CE2 4.07Å
141	I	97.2	Very high	86.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.7	167.9	-59	179.7	0	0	0	108	F132 L143 I188 W510 I514 I522 L523 W525	F132-I141 HydrophobicContact CE2-CG1 4.48Å; F132-I141 HydrophobicContact CZ-CD1 4.37Å; F132-I141 HydrophobicContact CZ-CG1 4.07Å; I141-L143 HydrophobicContact CG2-CD2 3.73Å; I141-L143 HydrophobicContact CG2-CG 4.23Å; I141-I188 HydrophobicContact CG2-CD1 3.83Å; I141-W510 HydrophobicContact CD1-CZ3 4.26Å; I141-I514 HydrophobicContact CD1-CD1 3.36Å; I141-I522 HydrophobicContact CD1-CG2 3.79Å; I141-I522 HydrophobicContact CG1-CG2 4.26Å; I141-L523 PolarHBondContact N-O 3.32Å; I141-W525 PolarHBondContact O-N 2.98Å
142	L	96.4	Very high	86.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.4	173	173.7	57.8	0	0	0	109.8	W154 Q171 L174 A186 I187 I188 W525	L142-W154 HydrophobicContact CD1-CH2 3.71Å; L142-W154 HydrophobicContact CD1-CZ3 3.95Å; L142-W154 HydrophobicContact CD2-CH2 3.48Å; L142-W154 VanDerWaalsContact CD2-CH2 3.48Å; L142-W154 HydrophobicContact CD2-CZ2 4.15Å; L142-W154 HydrophobicContact CD2-CZ3 3.92Å; L142-W154 HydrophobicContact CG-CH2 4.28Å; L142-Q171 HydrophobicContact CD2-CG 4.16Å; L142-L174 HydrophobicContact CD2-CD2 3.74Å; L142-A186 PolarHBondContact N-O 3.23Å; L142-I187 HydrophobicContact CB-CG1 4.44Å; L142-I187 HydrophobicContact CD2-CG1 4.33Å; L142-I187 HydrophobicContact CD2-CG2 4.17Å; L142-I188 PolarHBondContact O-N 2.92Å; L142-W525 CarbonylContact C-O 3.53Å; L142-W525 VanDerWaalsContact CA-O 3.32Å; L142-W525 WeakPolarHBondContact CA-O 3.48Å; L142-W525 HydrophobicContact CD1-CB 4.21Å; L142-W525 HydrophobicContact CD1-CD2 4.12Å; L142-W525 HydrophobicContact CD1-CG 3.93Å
143	L	93.4	Very high	85.6	Confident	6 Å²	6	33.5 Å²	33.5	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	99.7	173.4	-55.4	179	0	0	0	108.9	I141 I188 L506 V524 W525 A526 H527 F534	I141-L143 HydrophobicContact CG2-CD2 3.73Å; I141-L143 HydrophobicContact CG2-CG 4.23Å; L143-I188 HydrophobicContact CD2-CB 4.27Å; L143-I188 HydrophobicContact CD2-CD1 3.84Å; L143-I188 HydrophobicContact CD2-CG1 4.45Å; L143-L506 HydrophobicContact CD2-CD2 4.39Å; L143-V524 HydrophobicContact CD1-CG1 3.87Å; L143-V524 HydrophobicContact CG-CG1 4.31Å; L143-W525 PolarHBondContact N-O 3.47Å; L143-A526 HydrophobicContact CB-CB 4.2Å; L143-A526 HydrophobicContact CD1-CB 4.45Å; L143-H527 PolarHBondContact O-N 2.73Å; L143-F534 HydrophobicContact CD1-CB 3.86Å; L143-F534 HydrophobicContact CD1-CD2 3.53Å; L143-F534 HydrophobicContact CD1-CE2 4.42Å; L143-F534 HydrophobicContact CD1-CG 4.01Å
144	Q	86.2	Confident	85.3	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.3	-179.8	-175.3	170.7	10.2	0	0	111.2	V153 I188 N189 A190	Q144-V153 PolarHBondContact NE2-O 3.11Å; Q144-I188 PolarHBondContact N-O 3.35Å; Q144-N189 HydrophobicContact CB-CB 4.4Å; Q144-A190 PolarHBondContact O-N 2.7Å
145	G	64.3	Low	84.7	Confident	6 Å²	6	27.4 Å²	27.4	6%	0.062	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-64.7	159.7	173.2	0	0	0	0	0	114.5	H527	G145-H527 PolarHBondContact N-O 2.93Å; G145-H527 VanDerWaalsContact N-O 3.07Å
146	G	61.5	Low	84	Confident	11 Å²	11	26.4 Å²	26.4	11%	0.113	15%	0.154	C	C	.	.	S	Bend	trans	-70.4	160.1	-178.1	0	0	0	0	0	114.3	N191 Q529	G146-N191 WeakPolarHBondContact CA-ND2 3.41Å; G146-Q529 PolarHBondContact O-OE1 3.23Å
147	G	62.8	Low	83.5	Confident	47 Å²	47	22.2 Å²	22.2	49%	0.485	13%	0.133	S	C	.	.	S	Bend	trans	157.6	-153.2	-178	0	0	0	0	0	110.5	A149 N191	G147-A149 VanDerWaalsContact C-N 3.3Å; G147-N191 PolarHBondContact N-ND2 2.84Å; G147-N191 PolarHBondContact O-ND2 3.48Å
148	I	60.3	Low	83.1	Confident	120 Å²	120	21.1 Å²	21.1	62%	0.615	12%	0.122	S	C	*	.	S	Bend	trans	-86.9	-1	173.3	-18.2	175.4	0	0	0	112.5
149	A	65.9	Low	82.6	Confident	14 Å²	14	19.9 Å²	19.9	12%	0.116	11%	0.114	C	C	.	.			trans	-82.2	145.5	178	0	0	0	0	0	110.9	G147 N189	G147-A149 VanDerWaalsContact C-N 3.3Å; A149-N189 PolarHBondContact O-ND2 3.03Å
150	Q	76.6	Confident	82.1	Confident	82 Å²	82	20.2 Å²	20.2	38%	0.383	12%	0.115	S	C	.	.			trans	-119	162.5	177.5	-68.2	-173.6	0.2	0	0	109.3	T97 G152 V153 N189 E192	T97-Q150 HydrophobicContact CG2-CB 3.89Å; Q150-G152 PolarHBondContact O-N 3.11Å; Q150-V153 PolarHBondContact O-N 3.02Å; Q150-N189 WeakPolarHBondContact CA-ND2 3.37Å; Q150-E192 WeakPolarHBondContact CB-OE2 3.35Å
151	A	84	Confident	81.5	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.008	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	126.5	179.5	0	0	0	0	0	110.7	L127 I187 N189 E192	L127-A151 HydrophobicContact CD1-CB 3.66Å; L127-A151 HydrophobicContact CG-CB 3.93Å; A151-I187 HydrophobicContact CB-CG2 4Å; A151-N189 HydrophobicContact CB-CB 4.16Å; A151-E192 WeakPolarHBondContact CB-OE2 3.49Å; A151-E192 PolarHBondContact N-OE2 3.41Å
152	G	87.3	Confident	81	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-17.6	-170.5	0	0	0	0	0	114.9	I100 Q150 S170 Q171	I100-G152 WeakPolarHBondContact CG2-O 3.25Å; Q150-G152 PolarHBondContact O-N 3.11Å; G152-S170 WeakPolarHBondContact O-CA 3.29Å; G152-Q171 PolarHBondContact O-N 2.73Å
153	V	88.3	Confident	80.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-118	128.7	-176.7	-179.1	0	0	0	0	110.3	T97 I100 Q144 Q150 P156 L159	T97-V153 HydrophobicContact CG2-CG2 4.01Å; I100-V153 HydrophobicContact CD1-CG2 3.81Å; Q144-V153 PolarHBondContact NE2-O 3.11Å; Q150-V153 PolarHBondContact O-N 3.02Å; V153-P156 HydrophobicContact CG1-CG 4.11Å; V153-L159 HydrophobicContact CG1-CD2 4.17Å; V153-L159 HydrophobicContact CG2-CD2 4.15Å
154	W	88.2	Confident	80.4	Confident	16 Å²	16	34.2 Å²	34.2	6%	0.061	18%	0.184	C	C	.	.	S	Bend	trans	-75.5	-64.4	170.2	-70	123.7	0	0	0	110.4	L142 G169 S170 Q171 L174 W525 H527 P987	L142-W154 HydrophobicContact CD1-CH2 3.71Å; L142-W154 HydrophobicContact CD1-CZ3 3.95Å; L142-W154 HydrophobicContact CD2-CH2 3.48Å; L142-W154 VanDerWaalsContact CD2-CH2 3.48Å; L142-W154 HydrophobicContact CD2-CZ2 4.15Å; L142-W154 HydrophobicContact CD2-CZ3 3.92Å; L142-W154 HydrophobicContact CG-CH2 4.28Å; W154-G169 PolarHBondContact N-O 2.75Å; W154-S170 VanDerWaalsContact CD1-O 3.23Å; W154-S170 PolarHBondContact NE1-O 3.22Å; W154-Q171 HydrophobicContact CD2-CG 3.67Å; W154-Q171 HydrophobicContact CE3-CG 4.19Å; W154-Q171 HydrophobicContact CG-CG 4.1Å; W154-Q171 HydrophobicContact CH2-CG 4.25Å; W154-Q171 HydrophobicContact CZ2-CG 3.72Å; W154-Q171 HydrophobicContact CZ3-CG 4.46Å; W154-L174 HydrophobicContact CH2-CD2 4.23Å; W154-L174 HydrophobicContact CZ2-CD2 3.85Å; W154-W525 HydrophobicContact CH2-CD2 4.38Å; W154-W525 AromaticContact CH2-CE2 3.96Å; W154-W525 HydrophobicContact CH2-CE3 4.47Å; W154-W525 AromaticContact CH2-CH2 3.76Å; W154-W525 HydrophobicContact CH2-CH2 3.76Å; W154-W525 AromaticContact CH2-CZ2 3.63Å; W154-W525 HydrophobicContact CH2-CZ2 3.63Å; W154-W525 HydrophobicContact CH2-CZ3 4.2Å; W154-W525 AromaticContact CZ2-CH2 3.63Å; W154-W525 HydrophobicContact CZ2-CH2 3.63Å; W154-W525 AromaticContact CZ2-CZ2 3.94Å; W154-W525 HydrophobicContact CZ2-CZ2 3.94Å; W154-W525 HydrophobicContact CZ2-CZ3 4.1Å; W154-W525 HydrophobicContact CZ3-CZ2 4.49Å; W154-H527 HydrophobicContact CZ3-CB 4.41Å; W154-H527 AromaticContact CZ3-CD2 3.96Å; W154-P987 HydrophobicContact CD2-CB 3.54Å; W154-P987 HydrophobicContact CD2-CG 3.87Å; W154-P987 VanDerWaalsContact CE2-CB 3.41Å; W154-P987 HydrophobicContact CE3-CB 3.79Å; W154-P987 HydrophobicContact CE3-CG 3.74Å; W154-P987 HydrophobicContact CG-CB 4.11Å; W154-P987 HydrophobicContact CG-CG 4.38Å; W154-P987 HydrophobicContact CH2-CB 3.83Å; W154-P987 HydrophobicContact CH2-CG 4.4Å; W154-P987 HydrophobicContact CZ2-CB 3.58Å; W154-P987 HydrophobicContact CZ3-CB 3.93Å; W154-P987 HydrophobicContact CZ3-CG 4.02Å
155	A	84.9	Confident	80.6	Confident	5 Å²	5	34 Å²	34	4%	0.041	18%	0.183	C	C	.	.			trans	-138.6	118.2	-177.6	0	0	0	0	0	110.6	R157 L158 L159 D984	A155-R157 PolarHBondContact O-N 2.61Å; A155-R157 VanDerWaalsContact O-N 3.12Å; A155-L158 HydrophobicContact CB-CB 4.34Å; A155-L158 HydrophobicContact CB-CD1 4.1Å; A155-L158 HydrophobicContact CB-CG 3.92Å; A155-L158 PolarHBondContact O-N 3.21Å; A155-L158 VanDerWaalsContact O-N 3.08Å; A155-L159 PolarHBondContact O-N 2.9Å; A155-L159 VanDerWaalsContact O-N 3.09Å; A155-D984 HydrophobicContact CB-CB 3.81Å
156	P	81.4	Confident	82	Confident	18 Å²	18	34.4 Å²	34.4	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-22.4	175	-27	35.5	0	0	0	114.6	R93 V153 L160	R93-P156 HydrophobicContact CG-CB 4.07Å; V153-P156 HydrophobicContact CG1-CG 4.11Å; P156-L160 PolarHBondContact O-N 2.83Å
157	R	84.6	Confident	83.4	Confident	86 Å²	86	40.8 Å²	40.8	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-54	170.8	169.5	177.6	157.7	128.1	-9.2	111.1	A155 L160 H161 D764 E982	A155-R157 PolarHBondContact O-N 2.61Å; A155-R157 VanDerWaalsContact O-N 3.12Å; R157-L160 PolarHBondContact O-N 3.1Å; R157-H161 WeakPolarHBondContact O-CB 3.3Å; R157-H161 PolarHBondContact O-N 3.38Å; R157-D764 IonicContact NH1-OD2 2.68Å; R157-D764 PolarHBondContact NH1-OD2 3Å; R157-E982 IonicContact CZ-OE2 2.65Å; R157-E982 IonicContact NH2-OE2 2.63Å; R157-E982 PolarHBondContact NH2-OE2 3.25Å
158	L	88.6	Confident	84.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-39.7	-179.6	-58.4	-178.1	0	0	0	111.9	A155 L160 H161 H164 G165 D984 L985	A155-L158 HydrophobicContact CB-CB 4.34Å; A155-L158 HydrophobicContact CB-CD1 4.1Å; A155-L158 HydrophobicContact CB-CG 3.92Å; A155-L158 PolarHBondContact O-N 3.21Å; A155-L158 VanDerWaalsContact O-N 3.08Å; L158-L160 PolarHBondContact O-N 2.99Å; L158-H161 WeakPolarHBondContact O-CB 3.43Å; L158-H161 PolarHBondContact O-N 3.09Å; L158-H164 HydrophobicContact CB-CB 4.2Å; L158-H164 WeakPolarHBondContact CD2-CD2 3.25Å; L158-H164 WeakPolarHBondContact O-CB 3.43Å; L158-G165 PolarHBondContact O-N 2.83Å; L158-D984 HydrophobicContact CD1-CB 3.73Å; L158-D984 VanDerWaalsContact CD1-O 3.23Å; L158-D984 WeakPolarHBondContact CD1-O 3.4Å; L158-D984 HydrophobicContact CD2-CB 4.14Å; L158-D984 HydrophobicContact CG-CB 3.87Å; L158-L985 HydrophobicContact CD1-CD2 3.73Å; L158-L985 HydrophobicContact CD1-CG 4.15Å; L158-L985 HydrophobicContact CD2-CD2 3.93Å; L158-L985 HydrophobicContact CD2-CG 4.05Å; L158-L985 HydrophobicContact CG-CD2 4.48Å
159	L	87.3	Confident	86.2	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-32.7	179.2	177.9	57.3	0	0	0	113.4	F60 C96 I100 V153 A155 G165 L166	F60-L159 HydrophobicContact CE1-CD1 3.95Å; F60-L159 HydrophobicContact CZ-CD1 3.83Å; C96-L159 HydrophobicContact CB-CD2 4.07Å; I100-L159 HydrophobicContact CD1-CD1 3.66Å; I100-L159 HydrophobicContact CD1-CD2 3.51Å; I100-L159 HydrophobicContact CD1-CG 4.25Å; V153-L159 HydrophobicContact CG1-CD2 4.17Å; V153-L159 HydrophobicContact CG2-CD2 4.15Å; A155-L159 PolarHBondContact O-N 2.9Å; A155-L159 VanDerWaalsContact O-N 3.09Å; L159-G165 WeakPolarHBondContact CA-O 3.46Å; L159-L166 HydrophobicContact CD1-CD2 3.71Å; L159-L166 HydrophobicContact CD1-CG 4.48Å
160	L	86.4	Confident	87.5	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.037	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.2	178.6	-58.7	177.8	0	0	0	112.3	L66 F75 V77 I92 P156 R157 L158	L66-L160 HydrophobicContact CD2-CD2 3.61Å; F75-L160 HydrophobicContact CD1-CB 4.08Å; F75-L160 HydrophobicContact CD1-CD2 4.34Å; F75-L160 HydrophobicContact CE1-CB 4.3Å; F75-L160 HydrophobicContact CE1-CD1 4.23Å; F75-L160 HydrophobicContact CE1-CD2 4.43Å; V77-L160 HydrophobicContact CG2-CB 3.83Å; I92-L160 HydrophobicContact CG2-CD2 4.13Å; P156-L160 PolarHBondContact O-N 2.83Å; R157-L160 PolarHBondContact O-N 3.1Å; L158-L160 PolarHBondContact O-N 2.99Å
161	H	86.7	Confident	88.3	Confident	68 Å²	68	28.7 Å²	28.7	32%	0.315	14%	0.137	S	C	.	.	S	Bend	trans	-96.9	131.8	-179	-173.4	-109.6	0	0	0	111.9	R157 L158 Q163 H164 G165	R157-H161 WeakPolarHBondContact O-CB 3.3Å; R157-H161 PolarHBondContact O-N 3.38Å; L158-H161 WeakPolarHBondContact O-CB 3.43Å; L158-H161 PolarHBondContact O-N 3.09Å; H161-Q163 PolarHBondContact O-N 3.22Å; H161-H164 HydrophobicContact CB-CB 4.19Å; H161-H164 AromaticContact CE1-CD2 3.97Å; H161-H164 AromaticContact CE1-NE2 3.92Å; H161-H164 AromaticContact CG-CD2 3.75Å; H161-H164 AromaticContact ND1-CD2 3.08Å; H161-H164 PolarHBondContact ND1-CD2 2.69Å; H161-H164 AromaticContact ND1-CG 3.64Å; H161-H164 AromaticContact ND1-NE2 3.47Å; H161-H164 PolarHBondContact ND1-NE2 3.2Å; H161-H164 PolarHBondContact O-N 3.3Å; H161-H164 VanDerWaalsContact O-N 3.14Å; H161-G165 PolarHBondContact O-N 2.7Å
162	P	85.9	Confident	88.9	Confident	44 Å²	44	29.4 Å²	29.4	29%	0.286	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-18.2	-178	-35	39.1	0	0	0	118.4	I65 T74	I65-P162 WeakPolarHBondContact CG2-O 3.09Å; T74-P162 HydrophobicContact CG2-CB 3.94Å; T74-P162 WeakPolarHBondContact OG1-CB 3.38Å; T74-P162 WeakPolarHBondContact OG1-CG 3.43Å
163	Q	86.3	Confident	89.3	Confident	152 Å²	152	31.1 Å²	31.1	71%	0.71	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.7	8	-173.9	-60.6	174.5	-20.6	0	0	113.4	H161	H161-Q163 PolarHBondContact O-N 3.22Å
164	H	90.1	Very high	89.7	Confident	36 Å²	36	31.2 Å²	31.2	17%	0.167	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-51.3	-167.5	-68.4	-22.6	0	0	0	113.4	L158 H161 L166 Q167 S168	L158-H164 HydrophobicContact CB-CB 4.2Å; L158-H164 WeakPolarHBondContact CD2-CD2 3.25Å; L158-H164 WeakPolarHBondContact O-CB 3.43Å; H161-H164 HydrophobicContact CB-CB 4.19Å; H161-H164 AromaticContact CE1-CD2 3.97Å; H161-H164 AromaticContact CE1-NE2 3.92Å; H161-H164 AromaticContact CG-CD2 3.75Å; H161-H164 AromaticContact ND1-CD2 3.08Å; H161-H164 PolarHBondContact ND1-CD2 2.69Å; H161-H164 AromaticContact ND1-CG 3.64Å; H161-H164 AromaticContact ND1-NE2 3.47Å; H161-H164 PolarHBondContact ND1-NE2 3.2Å; H161-H164 PolarHBondContact O-N 3.3Å; H161-H164 VanDerWaalsContact O-N 3.14Å; H164-L166 PolarHBondContact O-N 2.92Å; H164-Q167 PolarHBondContact O-N 3.17Å; H164-Q167 VanDerWaalsContact O-N 3.16Å; H164-S168 VanDerWaalsContact CB-OG 3.3Å; H164-S168 WeakPolarHBondContact CB-OG 3.29Å
165	G	91.6	Very high	90.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	42.2	-130	175.9	0	0	0	0	0	114.2	G64 L158 L159 H161 G169	G64-G165 CarbonylContact O-C 3.57Å; G64-G165 WeakPolarHBondContact O-CA 3.28Å; L158-G165 PolarHBondContact O-N 2.83Å; L159-G165 WeakPolarHBondContact CA-O 3.46Å; H161-G165 PolarHBondContact O-N 2.7Å; G165-G169 VanDerWaalsContact O-CA 3.23Å; G165-G169 WeakPolarHBondContact O-CA 3.36Å; G165-G169 PolarHBondContact O-N 2.77Å
166	L	93	Very high	90.7	Very high	13 Å²	13	35 Å²	35	7%	0.068	17%	0.169	C	C	.	.	H	α-helix	trans	-70.9	-29.3	-179.1	-66	173	0	0	0	114.1	F60 G64 I100 L159 H164 S168 S170 I172	F60-L166 HydrophobicContact CB-CD1 4.04Å; F60-L166 HydrophobicContact CD1-CD1 3.92Å; F60-L166 HydrophobicContact CD1-CD2 4.3Å; F60-L166 HydrophobicContact CD1-CG 3.76Å; F60-L166 HydrophobicContact CD2-CD1 4.36Å; F60-L166 HydrophobicContact CE1-CD1 4.44Å; F60-L166 HydrophobicContact CE1-CD2 4Å; F60-L166 HydrophobicContact CE1-CG 3.86Å; F60-L166 HydrophobicContact CE2-CD2 4.37Å; F60-L166 HydrophobicContact CG-CD1 3.86Å; F60-L166 HydrophobicContact CG-CG 4.19Å; F60-L166 HydrophobicContact CZ-CD2 4.03Å; F60-L166 HydrophobicContact CZ-CG 4.38Å; G64-L166 PolarHBondContact O-N 2.74Å; I100-L166 HydrophobicContact CD1-CD2 3.83Å; I100-L166 HydrophobicContact CG1-CD2 3.62Å; L159-L166 HydrophobicContact CD1-CD2 3.71Å; L159-L166 HydrophobicContact CD1-CG 4.48Å; H164-L166 PolarHBondContact O-N 2.92Å; L166-S168 PolarHBondContact O-N 3.2Å; L166-S170 WeakPolarHBondContact O-CB 3.17Å; L166-S170 PolarHBondContact O-N 3.24Å; L166-S170 PolarHBondContact O-OG 2.65Å; L166-I172 HydrophobicContact CD2-CD1 4.27Å
167	Q	90.8	Very high	91.4	Very high	146 Å²	146	36.7 Å²	36.7	68%	0.682	18%	0.175	S	C	*	.	H	α-helix	trans	-65.9	-44.4	-169	-174.9	177.7	-3.2	0	0	112.6	H164 S173	H164-Q167 PolarHBondContact O-N 3.17Å; H164-Q167 VanDerWaalsContact O-N 3.16Å; Q167-S173 PolarHBondContact O-OG 3.19Å
168	S	91	Very high	92	Very high	8 Å²	8	32.6 Å²	32.6	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-109.4	-22.4	175.5	59.4	0	0	0	0	113.9	H164 L166 S988	H164-S168 VanDerWaalsContact CB-OG 3.3Å; H164-S168 WeakPolarHBondContact CB-OG 3.29Å; L166-S168 PolarHBondContact O-N 3.2Å; S168-S988 VanDerWaalsContact CB-CB 3.4Å; S168-S988 VanDerWaalsContact CB-OG 3.3Å; S168-S988 WeakPolarHBondContact CB-OG 3.26Å
169	G	90.8	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-76.6	-17.8	176	0	0	0	0	0	115	W154 G165	W154-G169 PolarHBondContact N-O 2.75Å; G165-G169 VanDerWaalsContact O-CA 3.23Å; G165-G169 WeakPolarHBondContact O-CA 3.36Å; G165-G169 PolarHBondContact O-N 2.77Å
170	S	93.3	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-123	159.5	-177.6	86.2	0	0	0	0	114	G152 W154 L166 I172	G152-S170 WeakPolarHBondContact O-CA 3.29Å; W154-S170 VanDerWaalsContact CD1-O 3.23Å; W154-S170 PolarHBondContact NE1-O 3.22Å; L166-S170 WeakPolarHBondContact O-CB 3.17Å; L166-S170 PolarHBondContact O-N 3.24Å; L166-S170 PolarHBondContact O-OG 2.65Å; S170-I172 VanDerWaalsContact C-N 3.25Å; S170-I172 PolarHBondContact O-N 3Å; S170-I172 WeakPolarHBondContact OG-CB 3.23Å; S170-I172 WeakPolarHBondContact OG-CG1 3.36Å; S170-I172 PolarHBondContact OG-N 2.76Å
171	Q	94.5	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	5.7	175.7	-70.9	156.1	-1	0	0	112.8	L142 G152 W154 S173 L174 V175 I187	L142-Q171 HydrophobicContact CD2-CG 4.16Å; G152-Q171 PolarHBondContact O-N 2.73Å; W154-Q171 HydrophobicContact CD2-CG 3.67Å; W154-Q171 HydrophobicContact CE3-CG 4.19Å; W154-Q171 HydrophobicContact CG-CG 4.1Å; W154-Q171 HydrophobicContact CH2-CG 4.25Å; W154-Q171 HydrophobicContact CZ2-CG 3.72Å; W154-Q171 HydrophobicContact CZ3-CG 4.46Å; Q171-S173 VanDerWaalsContact C-N 3.31Å; Q171-S173 PolarHBondContact O-N 3.1Å; Q171-L174 WeakPolarHBondContact O-CB 3.28Å; Q171-L174 PolarHBondContact O-N 3.13Å; Q171-V175 PolarHBondContact O-N 2.86Å; Q171-I187 HydrophobicContact CB-CD1 4.3Å
172	I	95.5	Very high	93.8	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.087	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-44.3	178.2	-66.1	174.5	0	0	0	111	I100 R103 L104 L107 L166 S170 L174 V175 K176	I100-I172 HydrophobicContact CG1-CD1 4.35Å; I100-I172 HydrophobicContact CG2-CD1 4.33Å; I100-I172 HydrophobicContact CG2-CG1 4.31Å; R103-I172 HydrophobicContact CB-CD1 3.86Å; L104-I172 HydrophobicContact CD2-CG1 3.99Å; L104-I172 HydrophobicContact CG-CG1 4.37Å; L107-I172 HydrophobicContact CD1-CG2 3.77Å; L166-I172 HydrophobicContact CD2-CD1 4.27Å; S170-I172 VanDerWaalsContact C-N 3.25Å; S170-I172 PolarHBondContact O-N 3Å; S170-I172 WeakPolarHBondContact OG-CB 3.23Å; S170-I172 WeakPolarHBondContact OG-CG1 3.36Å; S170-I172 PolarHBondContact OG-N 2.76Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.39Å; I172-V175 PolarHBondContact O-N 3.43Å; I172-K176 HydrophobicContact CG2-CD 4.43Å; I172-K176 WeakPolarHBondContact O-CG 3.47Å; I172-K176 PolarHBondContact O-N 3.24Å
173	S	95.2	Very high	94.4	Very high	35 Å²	35	40.5 Å²	40.5	25%	0.245	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-39	178.3	-47.8	0	0	0	0	112.2	Q167 Q171 K177	Q167-S173 PolarHBondContact O-OG 3.19Å; Q171-S173 VanDerWaalsContact C-N 3.31Å; Q171-S173 PolarHBondContact O-N 3.1Å; S173-K177 WeakPolarHBondContact O-CB 3.41Å; S173-K177 PolarHBondContact O-N 2.94Å; S173-K177 VanDerWaalsContact O-N 3.08Å
174	L	96.7	Very high	94.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-48.8	175.8	163.7	58.7	0	0	0	111.7	L142 W154 Q171 I172 K176 K177 A178 I185 W525 L991 F995	L142-L174 HydrophobicContact CD2-CD2 3.74Å; W154-L174 HydrophobicContact CH2-CD2 4.23Å; W154-L174 HydrophobicContact CZ2-CD2 3.85Å; Q171-L174 WeakPolarHBondContact O-CB 3.28Å; Q171-L174 PolarHBondContact O-N 3.13Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.39Å; L174-K176 PolarHBondContact O-N 3.11Å; L174-K177 PolarHBondContact O-N 3.19Å; L174-K177 VanDerWaalsContact O-N 3.08Å; L174-A178 PolarHBondContact O-N 3.15Å; L174-I185 HydrophobicContact CD1-CD1 3.85Å; L174-I185 HydrophobicContact CD2-CD1 3.87Å; L174-I185 HydrophobicContact CG-CD1 3.66Å; L174-W525 HydrophobicContact CD1-CE3 4.18Å; L174-W525 HydrophobicContact CD1-CZ3 3.86Å; L174-W525 HydrophobicContact CD2-CE3 3.92Å; L174-W525 HydrophobicContact CD2-CZ3 3.71Å; L174-W525 HydrophobicContact CG-CZ3 4.29Å; L174-L991 HydrophobicContact CB-CD1 4.1Å; L174-L991 HydrophobicContact CD1-CD1 4.09Å; L174-F995 HydrophobicContact CD1-CE2 3.77Å; L174-F995 HydrophobicContact CD1-CZ 3.87Å
175	V	97.5	Very high	95.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-42.6	-178.5	172.2	0	0	0	0	111.3	L104 L107 M109 Q171 I172 K177 A178 H179 I185 I187	L104-V175 HydrophobicContact CD2-CB 4.04Å; L104-V175 HydrophobicContact CD2-CG1 4.37Å; L104-V175 HydrophobicContact CD2-CG2 3.84Å; L107-V175 HydrophobicContact CB-CG1 4.31Å; M109-V175 HydrophobicContact CE-CG2 4.15Å; M109-V175 HydrophobicContact CG-CG1 3.74Å; M109-V175 HydrophobicContact SD-CG1 3.64Å; M109-V175 HydrophobicContact SD-CG2 4.28Å; Q171-V175 PolarHBondContact O-N 2.86Å; I172-V175 PolarHBondContact O-N 3.43Å; V175-K177 PolarHBondContact O-N 3.31Å; V175-A178 PolarHBondContact O-N 2.63Å; V175-H179 PolarHBondContact O-N 2.78Å; V175-H179 VanDerWaalsContact O-N 3.09Å; V175-I185 HydrophobicContact CG1-CG2 4.39Å; V175-I185 HydrophobicContact CG2-CG2 4.13Å; V175-I187 HydrophobicContact CG2-CD1 3.91Å
176	K	97.1	Very high	95.6	Very high	102 Å²	102	31.6 Å²	31.6	44%	0.443	16%	0.162	S	C	.	.	H	α-helix	trans	-54.2	-52.2	169.3	-73.6	-175.3	175.8	-172.6	0	111	L107 I172 L174 A178 H179 E180	L107-K176 HydrophobicContact CD1-CG 3.88Å; L107-K176 HydrophobicContact CD2-CG 4.07Å; I172-K176 HydrophobicContact CG2-CD 4.43Å; I172-K176 WeakPolarHBondContact O-CG 3.47Å; I172-K176 PolarHBondContact O-N 3.24Å; L174-K176 PolarHBondContact O-N 3.11Å; K176-A178 VanDerWaalsContact C-N 3.3Å; K176-A178 PolarHBondContact O-N 3.05Å; K176-H179 PolarHBondContact O-N 2.94Å; K176-E180 WeakPolarHBondContact O-CB 3.39Å; K176-E180 VanDerWaalsContact O-CG 3.28Å; K176-E180 WeakPolarHBondContact O-CG 3.44Å; K176-E180 PolarHBondContact O-N 3Å
177	K	97	Very high	95.7	Very high	53 Å²	53	31 Å²	31	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-24.4	-174.6	-159.9	46.3	162.2	178.4	0	114.8	S173 L174 V175 E180 Q181 F995	S173-K177 WeakPolarHBondContact O-CB 3.41Å; S173-K177 PolarHBondContact O-N 2.94Å; S173-K177 VanDerWaalsContact O-N 3.08Å; L174-K177 PolarHBondContact O-N 3.19Å; L174-K177 VanDerWaalsContact O-N 3.08Å; V175-K177 PolarHBondContact O-N 3.31Å; K177-E180 HydrophobicContact CD-CB 4.41Å; K177-E180 WeakPolarHBondContact CD-OE2 3.35Å; K177-E180 WeakPolarHBondContact CE-OE2 3.21Å; K177-E180 IonicContact NZ-OE2 3.58Å; K177-E180 PolarHBondContact NZ-OE2 2.97Å; K177-Q181 PolarHBondContact O-NE2 3.47Å; K177-F995 HydrophobicContact CB-CD2 4.4Å; K177-F995 HydrophobicContact CB-CE2 3.81Å; K177-F995 HydrophobicContact CB-CZ 4.14Å; K177-F995 HydrophobicContact CG-CD2 3.86Å; K177-F995 HydrophobicContact CG-CE2 3.79Å; K177-F995 HydrophobicContact CG-CG 4.44Å; K177-F995 HydrophobicContact CG-CZ 4.28Å
178	A	97.6	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-51.9	169.6	0	0	0	0	0	111.2	I140 L174 V175 K176 E180 Q181 G182 Y183 I185 F995	I140-A178 HydrophobicContact CD1-CB 4.38Å; L174-A178 PolarHBondContact O-N 3.15Å; V175-A178 PolarHBondContact O-N 2.63Å; K176-A178 VanDerWaalsContact C-N 3.3Å; K176-A178 PolarHBondContact O-N 3.05Å; A178-E180 PolarHBondContact O-N 3.16Å; A178-Q181 CarbonylContact O-C 3.57Å; A178-Q181 PolarHBondContact O-N 2.9Å; A178-Q181 VanDerWaalsContact O-N 3.08Å; A178-G182 PolarHBondContact O-N 3.04Å; A178-Y183 CarbonylContact C-O 3.54Å; A178-Y183 PolarHBondContact O-N 2.82Å; A178-I185 HydrophobicContact CB-CB 4.21Å; A178-I185 HydrophobicContact CB-CD1 4.43Å; A178-I185 HydrophobicContact CB-CG2 4.15Å; A178-F995 HydrophobicContact CB-CE1 4.37Å; A178-F995 HydrophobicContact CB-CZ 3.99Å
179	H	97.6	Very high	95.5	Very high	55 Å²	55	23.8 Å²	23.8	26%	0.255	13%	0.125	S	C	.	.	H	α-helix	trans	-66.4	-37.5	-178	-64.5	178.6	0	0	0	111.9	L107 N108 M109 V175 K176 Q181 G182 Y183	L107-H179 PolarHBondContact O-CE1 3.24Å; L107-H179 PolarHBondContact O-ND1 3.32Å; L107-H179 PolarHBondContact O-NE2 3.06Å; N108-H179 VanDerWaalsContact C-NE2 3.34Å; N108-H179 PolarHBondContact O-NE2 3.03Å; M109-H179 PolarHBondContact SD-NE2 3.29Å; V175-H179 PolarHBondContact O-N 2.78Å; V175-H179 VanDerWaalsContact O-N 3.09Å; K176-H179 PolarHBondContact O-N 2.94Å; H179-Q181 PolarHBondContact O-N 3.49Å; H179-G182 PolarHBondContact O-N 3.11Å; H179-Y183 PolarHBondContact CD2-O 3.29Å
180	E	96.7	Very high	94.8	Very high	122 Å²	122	23.9 Å²	23.9	57%	0.57	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.1	170.7	-78.4	168.5	-139.4	0	0	113.7	K176 K177 A178	K176-E180 WeakPolarHBondContact O-CB 3.39Å; K176-E180 VanDerWaalsContact O-CG 3.28Å; K176-E180 WeakPolarHBondContact O-CG 3.44Å; K176-E180 PolarHBondContact O-N 3Å; K177-E180 HydrophobicContact CD-CB 4.41Å; K177-E180 WeakPolarHBondContact CD-OE2 3.35Å; K177-E180 WeakPolarHBondContact CE-OE2 3.21Å; K177-E180 IonicContact NZ-OE2 3.58Å; K177-E180 PolarHBondContact NZ-OE2 2.97Å; A178-E180 PolarHBondContact O-N 3.16Å
181	Q	95.6	Very high	93.7	Very high	46 Å²	46	26.6 Å²	26.6	22%	0.215	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	11.4	179.6	-74.4	172.9	94.6	0	0	112.8	K177 A178 H179 Y183 F995	K177-Q181 PolarHBondContact O-NE2 3.47Å; A178-Q181 CarbonylContact O-C 3.57Å; A178-Q181 PolarHBondContact O-N 2.9Å; A178-Q181 VanDerWaalsContact O-N 3.08Å; H179-Q181 PolarHBondContact O-N 3.49Å; Q181-Y183 VanDerWaalsContact C-N 3.26Å; Q181-Y183 HydrophobicContact CB-CD1 4.3Å; Q181-Y183 HydrophobicContact CB-CE1 4.17Å; Q181-Y183 WeakPolarHBondContact O-CD1 3.28Å; Q181-Y183 VanDerWaalsContact O-CE1 3.3Å; Q181-Y183 WeakPolarHBondContact O-CE1 3.25Å; Q181-Y183 PolarHBondContact O-N 2.91Å; Q181-F995 VanDerWaalsContact NE2-CG 3.28Å
182	G	95.9	Very high	92.3	Very high	45 Å²	45	27 Å²	27	46%	0.464	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	18.3	179.4	0	0	0	0	0	114.2	H135 A178 H179	H135-G182 PolarHBondContact CE1-O 3.09Å; H135-G182 VanDerWaalsContact CE1-O 3.3Å; H135-G182 PolarHBondContact NE2-O 3.47Å; A178-G182 PolarHBondContact O-N 3.04Å; H179-G182 PolarHBondContact O-N 3.11Å
183	Y	97.9	Very high	90.7	Very high	19 Å²	19	32 Å²	32	8%	0.075	16%	0.164	C	C	.	.			trans	-93.6	141.1	177.2	-56.5	-4.1	0	0	0	109.6	P138 I140 A178 H179 Q181 L523 F995 L1002	P138-Y183 HydrophobicContact CB-CD1 3.67Å; P138-Y183 HydrophobicContact CB-CE1 3.87Å; P138-Y183 HydrophobicContact CB-CG 4.06Å; P138-Y183 HydrophobicContact CG-CD1 3.87Å; P138-Y183 HydrophobicContact CG-CE1 3.77Å; P138-Y183 VanDerWaalsContact O-CA 3.31Å; P138-Y183 WeakPolarHBondContact O-CA 3.48Å; I140-Y183 HydrophobicContact CD1-CD2 3.87Å; I140-Y183 HydrophobicContact CG1-CD2 4.14Å; A178-Y183 CarbonylContact C-O 3.54Å; A178-Y183 PolarHBondContact O-N 2.82Å; H179-Y183 PolarHBondContact CD2-O 3.29Å; Q181-Y183 VanDerWaalsContact C-N 3.26Å; Q181-Y183 HydrophobicContact CB-CD1 4.3Å; Q181-Y183 HydrophobicContact CB-CE1 4.17Å; Q181-Y183 WeakPolarHBondContact O-CD1 3.28Å; Q181-Y183 VanDerWaalsContact O-CE1 3.3Å; Q181-Y183 WeakPolarHBondContact O-CE1 3.25Å; Q181-Y183 PolarHBondContact O-N 2.91Å; Y183-L523 HydrophobicContact CD2-CD1 4.12Å; Y183-L523 HydrophobicContact CE2-CD1 3.9Å; Y183-F995 HydrophobicContact CD2-CD1 4.17Å; Y183-F995 AromaticContact CD2-CE1 3.72Å; Y183-F995 HydrophobicContact CD2-CE1 3.72Å; Y183-F995 AromaticContact CE2-CD1 3.79Å; Y183-F995 HydrophobicContact CE2-CD1 3.79Å; Y183-F995 AromaticContact CE2-CE1 3.84Å; Y183-F995 HydrophobicContact CE2-CE1 3.84Å; Y183-L1002 HydrophobicContact CE1-CD1 4.27Å
184	A	98	Very high	88.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	157	162.7	0	0	0	0	0	109.7	S129 F132 H135 P138 I139 I140	S129-A184 WeakPolarHBondContact OG-CA 3.42Å; F132-A184 HydrophobicContact CD2-CB 4.13Å; H135-A184 HydrophobicContact CB-CB 3.98Å; P138-A184 PolarHBondContact O-N 3.4Å; I139-A184 CarbonylContact C-O 3.58Å; I139-A184 VanDerWaalsContact CA-O 3.25Å; I139-A184 WeakPolarHBondContact CA-O 3.4Å; I139-A184 HydrophobicContact CG2-CB 4.06Å; I140-A184 PolarHBondContact N-O 3.13Å
185	I	98.1	Very high	86.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.8	-176.4	-176.9	165.6	0	0	0	111.8	M109 H128 S129 I140 L174 V175 A178 I187	M109-I185 HydrophobicContact CE-CG2 4.03Å; M109-I185 HydrophobicContact SD-CG2 3.91Å; H128-I185 CarbonylContact C-O 3.37Å; H128-I185 WeakPolarHBondContact CA-O 3.27Å; S129-I185 PolarHBondContact N-O 3.23Å; S129-I185 PolarHBondContact OG-N 2.9Å; S129-I185 PolarHBondContact OG-O 2.63Å; I140-I185 HydrophobicContact CB-CB 4.26Å; I140-I185 HydrophobicContact CB-CD1 4.12Å; I140-I185 HydrophobicContact CB-CG1 3.95Å; I140-I185 HydrophobicContact CG2-CD1 3.81Å; I140-I185 HydrophobicContact CG2-CG1 3.95Å; I140-I185 CarbonylContact O-C 3.51Å; I140-I185 VanDerWaalsContact O-CA 3.31Å; I140-I185 WeakPolarHBondContact O-CA 3.43Å; L174-I185 HydrophobicContact CD1-CD1 3.85Å; L174-I185 HydrophobicContact CD2-CD1 3.87Å; L174-I185 HydrophobicContact CG-CD1 3.66Å; V175-I185 HydrophobicContact CG1-CG2 4.39Å; V175-I185 HydrophobicContact CG2-CG2 4.13Å; A178-I185 HydrophobicContact CB-CB 4.21Å; A178-I185 HydrophobicContact CB-CD1 4.43Å; A178-I185 HydrophobicContact CB-CG2 4.15Å; I185-I187 HydrophobicContact CG1-CG1 4.47Å
186	A	97.1	Very high	83.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145	164.9	0	0	0	0	0	110.6	V126 L127 H128 F132 I140 L142	V126-A186 HydrophobicContact CG1-CB 4.3Å; L127-A186 CarbonylContact O-C 3.53Å; L127-A186 WeakPolarHBondContact O-CA 3.46Å; H128-A186 HydrophobicContact CB-CB 3.9Å; F132-A186 HydrophobicContact CD1-CB 4.41Å; F132-A186 HydrophobicContact CD2-CB 4.04Å; F132-A186 HydrophobicContact CE1-CB 3.92Å; F132-A186 HydrophobicContact CE2-CB 3.5Å; F132-A186 HydrophobicContact CG-CB 4.46Å; F132-A186 HydrophobicContact CZ-CB 3.44Å; F132-A186 VanDerWaalsContact CZ-CB 3.44Å; I140-A186 PolarHBondContact O-N 3.35Å; L142-A186 PolarHBondContact N-O 3.23Å
187	I	94.8	Very high	80.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.5	179.6	-56.6	173.8	0	0	0	107.1	M109 L127 L142 A151 Q171 V175 I185	M109-I187 HydrophobicContact CE-CD1 4.22Å; M109-I187 HydrophobicContact CE-CG1 4.47Å; L127-I187 HydrophobicContact CB-CB 4.36Å; L127-I187 PolarHBondContact N-O 2.73Å; L127-I187 PolarHBondContact O-N 3.5Å; L142-I187 HydrophobicContact CB-CG1 4.44Å; L142-I187 HydrophobicContact CD2-CG1 4.33Å; L142-I187 HydrophobicContact CD2-CG2 4.17Å; A151-I187 HydrophobicContact CB-CG2 4Å; Q171-I187 HydrophobicContact CB-CD1 4.3Å; V175-I187 HydrophobicContact CG2-CD1 3.91Å; I185-I187 HydrophobicContact CG1-CG1 4.47Å
188	I	92.4	Very high	77.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.5	-177.2	-47	175.4	0	0	0	107.5	M124 V126 I141 L142 L143 Q144 L506 I509 L513	M124-I188 HydrophobicContact CE-CG2 3.95Å; V126-I188 HydrophobicContact CG1-CG1 4.03Å; V126-I188 HydrophobicContact CG2-CG1 4.25Å; V126-I188 HydrophobicContact CG2-CG2 4.31Å; I141-I188 HydrophobicContact CG2-CD1 3.83Å; L142-I188 PolarHBondContact O-N 2.92Å; L143-I188 HydrophobicContact CD2-CB 4.27Å; L143-I188 HydrophobicContact CD2-CD1 3.84Å; L143-I188 HydrophobicContact CD2-CG1 4.45Å; Q144-I188 PolarHBondContact N-O 3.35Å; I188-L506 HydrophobicContact CB-CD2 4.24Å; I188-L506 HydrophobicContact CG2-CD2 3.46Å; I188-L506 VanDerWaalsContact CG2-CD2 3.46Å; I188-I509 HydrophobicContact CD1-CG2 4.23Å; I188-I509 HydrophobicContact CG2-CG2 4.21Å; I188-L513 HydrophobicContact CD1-CD1 3.37Å; I188-L513 HydrophobicContact CG1-CD1 4.19Å
189	N	87.2	Confident	74.6	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.8	174.3	-178.2	-47.7	0	0	0	108.8	M124 Q144 A149 Q150 A151 N191 E192	M124-N189 WeakPolarHBondContact CE-O 3.5Å; Q144-N189 HydrophobicContact CB-CB 4.4Å; A149-N189 PolarHBondContact O-ND2 3.03Å; Q150-N189 WeakPolarHBondContact CA-ND2 3.37Å; A151-N189 HydrophobicContact CB-CB 4.16Å; N189-N191 PolarHBondContact O-N 2.8Å; N189-N191 VanDerWaalsContact O-N 3.14Å; N189-N191 PolarHBondContact OD1-N 3.5Å; N189-E192 HydrophobicContact CB-CB 4.18Å; N189-E192 PolarHBondContact O-N 3.37Å; N189-E192 VanDerWaalsContact O-N 3.16Å
190	A	74.4	Confident	71.6	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-16	-171.9	0	0	0	0	0	114.8	Q144 V502 R505 L506	Q144-A190 PolarHBondContact O-N 2.7Å; A190-V502 HydrophobicContact CB-CG1 3.34Å; A190-R505 VanDerWaalsContact O-CZ 3.3Å; A190-R505 PolarHBondContact O-NE 2.79Å; A190-R505 PolarHBondContact O-NH2 3.06Å; A190-L506 HydrophobicContact CB-CD1 3.71Å; A190-L506 HydrophobicContact CB-CD2 4.05Å; A190-L506 HydrophobicContact CB-CG 3.66Å
191	N	69.9	Low	68.7	Low	57 Å²	57	39.2 Å²	39.2	31%	0.305	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-11.2	178.5	-75.3	10.2	0	0	0	113.3	G146 G147 N189 H193	G146-N191 WeakPolarHBondContact CA-ND2 3.41Å; G147-N191 PolarHBondContact N-ND2 2.84Å; G147-N191 PolarHBondContact O-ND2 3.48Å; N189-N191 PolarHBondContact O-N 2.8Å; N189-N191 VanDerWaalsContact O-N 3.14Å; N189-N191 PolarHBondContact OD1-N 3.5Å; N191-H193 PolarHBondContact O-N 3.05Å; N191-H193 PolarHBondContact O-ND1 3.27Å; N191-H193 VanDerWaalsContact O-ND1 3.15Å
192	E	66.6	Low	65.9	Low	10 Å²	10	40 Å²	40	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	80	-177	-165	165.4	153.8	0	0	112	R101 R125 Q150 A151 N189	R101-E192 IonicContact CZ-OE1 3.01Å; R101-E192 IonicContact CZ-OE2 3.24Å; R101-E192 IonicContact NE-OE1 3.23Å; R101-E192 PolarHBondContact NE-OE1 3.35Å; R101-E192 IonicContact NH2-OE1 3.83Å; R101-E192 PolarHBondContact NH2-OE1 2.87Å; R101-E192 IonicContact NH2-OE2 4Å; R101-E192 PolarHBondContact NH2-OE2 3.15Å; R125-E192 HydrophobicContact CB-CG 4.16Å; R125-E192 WeakPolarHBondContact CD-OE1 3.37Å; R125-E192 IonicContact CZ-OE1 3.48Å; R125-E192 PolarHBondContact N-O 2.92Å; R125-E192 VanDerWaalsContact N-O 3.1Å; R125-E192 IonicContact NE-OE1 3.95Å; R125-E192 IonicContact NH1-OE1 2.79Å; R125-E192 PolarHBondContact NH1-OE1 2.69Å; Q150-E192 WeakPolarHBondContact CB-OE2 3.35Å; A151-E192 WeakPolarHBondContact CB-OE2 3.49Å; A151-E192 PolarHBondContact N-OE2 3.41Å; N189-E192 HydrophobicContact CB-CB 4.18Å; N189-E192 PolarHBondContact O-N 3.37Å; N189-E192 VanDerWaalsContact O-N 3.16Å
193	H	60.7	Low	63	Low	121 Å²	121	43.8 Å²	43.8	56%	0.56	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	151.5	162.6	56.1	-79.8	0	0	0	110.6	N191	N191-H193 PolarHBondContact O-N 3.05Å; N191-H193 PolarHBondContact O-ND1 3.27Å; N191-H193 VanDerWaalsContact O-ND1 3.15Å
194	V	53.6	Low	60.1	Low	19 Å²	19	50.3 Å²	50.3	12%	0.115	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74.3	136.1	161.6	-172.2	0	0	0	0	107.2	Q113 C123 R125 S196	Q113-V194 HydrophobicContact CB-CG2 4.23Å; Q113-V194 HydrophobicContact CG-CG2 3.78Å; C123-V194 HydrophobicContact CB-CB 4.4Å; C123-V194 HydrophobicContact CB-CG2 3.78Å; C123-V194 PolarHBondContact O-N 3.32Å; C123-V194 VanDerWaalsContact O-N 3.17Å; R125-V194 HydrophobicContact CB-CG2 4.49Å; V194-S196 PolarHBondContact O-N 3.5Å
195	P	46.4	Very low	57.2	Low	34 Å²	34	55.6 Å²	55.6	22%	0.221	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-55.6	139.4	167.8	-21.2	32.8	0	0	0	110	E199 M200	P195-E199 HydrophobicContact CB-CB 3.7Å; P195-M200 HydrophobicContact CB-CG 4.13Å
196	S	37.4	Very low	54	Low	59 Å²	59	60.2 Å²	60.2	41%	0.413	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59.5	161.8	176.2	57.9	0	0	0	0	111.9	V194 A198 E199 M200	V194-S196 PolarHBondContact O-N 3.5Å; S196-A198 PolarHBondContact O-N 2.94Å; S196-E199 WeakPolarHBondContact CB-OE2 3.39Å; S196-E199 PolarHBondContact N-OE2 3.42Å; S196-E199 CarbonylContact O-C 3.53Å; S196-E199 WeakPolarHBondContact O-CA 3.49Å; S196-E199 PolarHBondContact O-N 3.28Å; S196-E199 WeakPolarHBondContact OG-CG 3.38Å; S196-E199 PolarHBondContact OG-N 3.42Å; S196-E199 PolarHBondContact OG-OE2 3.47Å; S196-M200 WeakPolarHBondContact O-CG 3.47Å; S196-M200 PolarHBondContact O-N 2.88Å
197	E	33.5	Very low	51	Low	101 Å²	101	66 Å²	66	47%	0.472	37%	0.366	S	S	.	.	H	α-helix	trans	-55	-38.3	174.5	-73	-177.6	138.8	0	0	111.4	E199 M200 D201	E197-E199 VanDerWaalsContact C-N 3.33Å; E197-E199 PolarHBondContact O-N 3.39Å; E197-M200 HydrophobicContact CG-CE 3.96Å; E197-M200 CarbonylContact O-C 3.55Å; E197-M200 PolarHBondContact O-N 2.88Å; E197-D201 VanDerWaalsContact O-CB 3.32Å; E197-D201 WeakPolarHBondContact O-CB 3.42Å; E197-D201 PolarHBondContact O-N 3.15Å
198	A	35.7	Very low	48	Very low	74 Å²	74	72.8 Å²	72.8	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-64.2	-31	173.7	0	0	0	0	0	114.3	S196 A202	S196-A198 PolarHBondContact O-N 2.94Å; A198-A202 VanDerWaalsContact O-CB 3.23Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.05Å
199	E	36.4	Very low	45.2	Very low	84 Å²	84	78.7 Å²	78.7	39%	0.393	44%	0.441	S	S	.	.	H	α-helix	trans	-80.1	-31.6	173.2	-70.9	165.5	114.3	0	0	112.4	P195 S196 E197 M203	P195-E199 HydrophobicContact CB-CB 3.7Å; S196-E199 WeakPolarHBondContact CB-OE2 3.39Å; S196-E199 PolarHBondContact N-OE2 3.42Å; S196-E199 CarbonylContact O-C 3.53Å; S196-E199 WeakPolarHBondContact O-CA 3.49Å; S196-E199 PolarHBondContact O-N 3.28Å; S196-E199 WeakPolarHBondContact OG-CG 3.38Å; S196-E199 PolarHBondContact OG-N 3.42Å; S196-E199 PolarHBondContact OG-OE2 3.47Å; E197-E199 VanDerWaalsContact C-N 3.33Å; E197-E199 PolarHBondContact O-N 3.39Å; E199-M203 WeakPolarHBondContact O-CB 3.42Å; E199-M203 WeakPolarHBondContact O-CG 3.46Å; E199-M203 PolarHBondContact O-N 3.03Å; E199-M203 VanDerWaalsContact O-N 3.08Å
200	M	35.3	Very low	42.6	Very low	55 Å²	55	83.9 Å²	83.9	27%	0.271	48%	0.478	S	S	.	.	H	α-helix	trans	-71.2	-42.8	172.5	-65.2	-167.2	-57.7	0	0	110.8	P195 S196 E197 A202 M203 E204	P195-M200 HydrophobicContact CB-CG 4.13Å; S196-M200 WeakPolarHBondContact O-CG 3.47Å; S196-M200 PolarHBondContact O-N 2.88Å; E197-M200 HydrophobicContact CG-CE 3.96Å; E197-M200 CarbonylContact O-C 3.55Å; E197-M200 PolarHBondContact O-N 2.88Å; M200-A202 VanDerWaalsContact C-N 3.33Å; M200-A202 PolarHBondContact O-N 3.48Å; M200-M203 CarbonylContact O-C 3.28Å; M200-M203 VanDerWaalsContact O-C 3.26Å; M200-M203 VanDerWaalsContact O-CA 3.26Å; M200-M203 WeakPolarHBondContact O-CA 3.41Å; M200-M203 WeakPolarHBondContact O-CB 3.5Å; M200-M203 PolarHBondContact O-N 3.15Å; M200-E204 WeakPolarHBondContact O-CB 3.28Å; M200-E204 WeakPolarHBondContact O-CG 3.38Å; M200-E204 PolarHBondContact O-N 3.37Å
201	D	34.8	Very low	40.5	Very low	95 Å²	95	89.5 Å²	89.5	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-41.9	170.6	-70.6	-22.5	0	0	0	110.7	E197 M203 E204 T205	E197-D201 VanDerWaalsContact O-CB 3.32Å; E197-D201 WeakPolarHBondContact O-CB 3.42Å; E197-D201 PolarHBondContact O-N 3.15Å; D201-M203 PolarHBondContact O-N 2.95Å; D201-E204 PolarHBondContact O-N 3.21Å; D201-T205 WeakPolarHBondContact O-CB 3.48Å; D201-T205 PolarHBondContact O-N 3.28Å; D201-T205 PolarHBondContact O-OG1 2.94Å
202	A	38.5	Very low	38.7	Very low	63 Å²	63	92.8 Å²	92.8	52%	0.521	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-13.3	170.9	0	0	0	0	0	113.7	A198 M200 F206	A198-A202 VanDerWaalsContact O-CB 3.23Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.05Å; M200-A202 VanDerWaalsContact C-N 3.33Å; M200-A202 PolarHBondContact O-N 3.48Å; A202-F206 WeakPolarHBondContact O-CE2 3.39Å
203	M	34.7	Very low	37	Very low	124 Å²	124	100.5 Å²	100.5	61%	0.611	58%	0.581	S	S	*	*	H	α-helix	trans	-105.1	-13.7	174.9	-75.1	176.1	50.3	0	0	114.4	E199 M200 D201	E199-M203 WeakPolarHBondContact O-CB 3.42Å; E199-M203 WeakPolarHBondContact O-CG 3.46Å; E199-M203 PolarHBondContact O-N 3.03Å; E199-M203 VanDerWaalsContact O-N 3.08Å; M200-M203 CarbonylContact O-C 3.28Å; M200-M203 VanDerWaalsContact O-C 3.26Å; M200-M203 VanDerWaalsContact O-CA 3.26Å; M200-M203 WeakPolarHBondContact O-CA 3.41Å; M200-M203 WeakPolarHBondContact O-CB 3.5Å; M200-M203 PolarHBondContact O-N 3.15Å; D201-M203 PolarHBondContact O-N 2.95Å
204	E	36.3	Very low	35.7	Very low	156 Å²	156	101.4 Å²	101.4	73%	0.729	58%	0.583	S	S	*	*	H	α-helix	trans	-116.8	-20.3	-177.7	-67.4	-169.3	-173.5	0	0	112.9	M200 D201 F206	M200-E204 WeakPolarHBondContact O-CB 3.28Å; M200-E204 WeakPolarHBondContact O-CG 3.38Å; M200-E204 PolarHBondContact O-N 3.37Å; D201-E204 PolarHBondContact O-N 3.21Å; E204-F206 PolarHBondContact O-N 2.78Å; E204-F206 VanDerWaalsContact O-N 3.07Å
205	T	37.2	Very low	34.5	Very low	112 Å²	112	104.9 Å²	104.9	69%	0.687	60%	0.601	S	S	*	*			trans	-74.3	13.8	166.8	-40.2	0	0	0	0	112.2	D201 P207	D201-T205 WeakPolarHBondContact O-CB 3.48Å; D201-T205 PolarHBondContact O-N 3.28Å; D201-T205 PolarHBondContact O-OG1 2.94Å; T205-P207 VanDerWaalsContact O-CD 3.31Å; T205-P207 WeakPolarHBondContact O-CD 3.35Å
206	F	31	Very low	33.9	Very low	97 Å²	97	108.3 Å²	108.3	43%	0.425	62%	0.621	S	S	.	*	S	Bend	trans	-76.2	113.4	166.3	-79.6	-69.7	0	0	0	109.4	R47 A202 E204	R47-F206 HydrophobicContact CG-CE1 4.41Å; A202-F206 WeakPolarHBondContact O-CE2 3.39Å; E204-F206 PolarHBondContact O-N 2.78Å; E204-F206 VanDerWaalsContact O-N 3.07Å
207	P	33.5	Very low	33.6	Very low	120 Å²	120	109.9 Å²	109.9	78%	0.779	63%	0.629	S	S	*	*			trans	-67.9	149.3	-174.2	27.4	-35	0	0	0	112.8	T205	T205-P207 VanDerWaalsContact O-CD 3.31Å; T205-P207 WeakPolarHBondContact O-CD 3.35Å
208	N	32.9	Very low	33.6	Very low	143 Å²	143	110.6 Å²	110.6	77%	0.765	63%	0.632	S	S	*	*			trans	-44.7	133.9	-176.4	-135.5	-4.4	0	0	0	113.3	S210	N208-S210 PolarHBondContact O-N 3.19Å; N208-S210 PolarHBondContact O-OG 3.39Å; N208-S210 VanDerWaalsContact O-OG 3.06Å
209	P	33	Very low	33.4	Very low	127 Å²	127	110.5 Å²	110.5	83%	0.825	63%	0.626	S	S	*	*			trans	-71.5	87.2	-174	29.7	-35.7	0	0	0	112
210	S	32.2	Very low	33.1	Very low	110 Å²	110	110.6 Å²	110.6	77%	0.769	63%	0.632	S	S	*	*			trans	-124.8	35.8	-176.1	51	0	0	0	0	112.6	N208	N208-S210 PolarHBondContact O-N 3.19Å; N208-S210 PolarHBondContact O-OG 3.39Å; N208-S210 VanDerWaalsContact O-OG 3.06Å
211	C	32	Very low	32.7	Very low	118 Å²	118	117.7 Å²	117.7	80%	0.797	66%	0.656	S	S	*	*	S	Bend	trans	-133.7	153.9	166.8	-100.1	0	0	0	0	110.5
212	P	31.2	Very low	32.5	Very low	126 Å²	126	120.4 Å²	120.4	82%	0.818	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-74.3	162.5	-155.4	-21.1	35.3	0	0	0	116.3	F214	P212-F214 PolarHBondContact O-N 3.46Å
213	L	30.3	Very low	32.1	Very low	173 Å²	173	122 Å²	122	91%	0.906	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-52	125.4	174	-151.5	77.6	0	0	0	111.3	N215	L213-N215 PolarHBondContact O-N 3.08Å
214	F	33	Very low	32.2	Very low	140 Å²	140	121.4 Å²	121.4	61%	0.614	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-69	119.7	174.4	-163	-76.3	0	0	0	109.3	P212 V216	P212-F214 PolarHBondContact O-N 3.46Å; F214-V216 PolarHBondContact O-N 3.04Å
215	N	28.6	Very low	32.1	Very low	91 Å²	91	120.1 Å²	120.1	49%	0.487	67%	0.673	S	S	.	*			trans	-74.9	102.7	-176.2	-174.5	5.6	0	0	0	110.9	L213 T217 E218	L213-N215 PolarHBondContact O-N 3.08Å; N215-T217 VanDerWaalsContact CG-OG1 3.31Å; N215-T217 PolarHBondContact ND2-OG1 3.18Å; N215-T217 PolarHBondContact O-N 3.35Å; N215-T217 PolarHBondContact OD1-N 2.95Å; N215-T217 PolarHBondContact OD1-OG1 3.37Å; N215-E218 PolarHBondContact O-N 3.04Å; N215-E218 VanDerWaalsContact O-N 3.11Å
216	V	34.1	Very low	32.1	Very low	106 Å²	106	121.7 Å²	121.7	64%	0.642	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-55.8	-26.7	-176.2	-178.1	0	0	0	0	112.7	F214 E218 C219	F214-V216 PolarHBondContact O-N 3.04Å; V216-E218 PolarHBondContact O-N 3.02Å; V216-C219 PolarHBondContact O-N 3.08Å; V216-C219 VanDerWaalsContact O-N 3.16Å
217	T	32.5	Very low	32.1	Very low	93 Å²	93	126.6 Å²	126.6	57%	0.571	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-67.3	-20.5	-179.4	61.5	0	0	0	0	114	N215 T220	N215-T217 VanDerWaalsContact CG-OG1 3.31Å; N215-T217 PolarHBondContact ND2-OG1 3.18Å; N215-T217 PolarHBondContact O-N 3.35Å; N215-T217 PolarHBondContact OD1-N 2.95Å; N215-T217 PolarHBondContact OD1-OG1 3.37Å; T217-T220 WeakPolarHBondContact CA-OG1 3.33Å; T217-T220 PolarHBondContact O-N 3.19Å; T217-T220 PolarHBondContact O-OG1 3.35Å
218	E	32.7	Very low	31.9	Very low	116 Å²	116	126 Å²	126	54%	0.542	70%	0.695	S	S	.	*	G	3₁₀ helix	trans	-75.1	-25.9	174.2	-69.2	-145.4	95.1	0	0	113.3	N215 V216 T220 R221	N215-E218 PolarHBondContact O-N 3.04Å; N215-E218 VanDerWaalsContact O-N 3.11Å; V216-E218 PolarHBondContact O-N 3.02Å; E218-T220 PolarHBondContact O-N 3.11Å; E218-R221 IonicContact OE1-NH2 2.63Å; E218-R221 PolarHBondContact OE1-NH2 3.25Å
219	C	31.3	Very low	32	Very low	71 Å²	71	124.7 Å²	124.7	48%	0.48	70%	0.695	S	S	.	*	G	3₁₀ helix	trans	-74.7	-11.9	173	-72.5	0	0	0	0	113	V216 L241	V216-C219 PolarHBondContact O-N 3.08Å; V216-C219 VanDerWaalsContact O-N 3.16Å; C219-L241 HydrophobicContact CB-CD2 4.22Å
220	T	29.2	Very low	32.1	Very low	87 Å²	87	125.2 Å²	125.2	53%	0.534	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-100.4	42.2	180	49.2	0	0	0	0	113.3	T217 E218 I222	T217-T220 WeakPolarHBondContact CA-OG1 3.33Å; T217-T220 PolarHBondContact O-N 3.19Å; T217-T220 PolarHBondContact O-OG1 3.35Å; E218-T220 PolarHBondContact O-N 3.11Å; T220-I222 PolarHBondContact O-N 3.48Å
221	R	27	Very low	32.1	Very low	203 Å²	203	128.3 Å²	128.3	77%	0.766	69%	0.693	S	S	*	*			trans	-73.9	78.5	166.9	-68.8	-170.5	-170.6	-166.3	4.8	110.9	E218 D223	E218-R221 IonicContact OE1-NH2 2.63Å; E218-R221 PolarHBondContact OE1-NH2 3.25Å; R221-D223 PolarHBondContact O-N 2.96Å
222	I	30.8	Very low	32.2	Very low	152 Å²	152	126.9 Å²	126.9	78%	0.779	68%	0.677	S	S	*	*			trans	-62.4	114.7	157.9	-57.6	172.5	0	0	0	106.3	T220 P224	T220-I222 PolarHBondContact O-N 3.48Å; I222-P224 VanDerWaalsContact O-CD 3.26Å; I222-P224 WeakPolarHBondContact O-CD 3.5Å
223	D	31.5	Very low	32.1	Very low	96 Å²	96	126.3 Å²	126.3	51%	0.513	67%	0.667	S	S	.	*			trans	-79.6	110.7	173.5	-174.2	-14.3	0	0	0	109.3	R221 N225	R221-D223 PolarHBondContact O-N 2.96Å; D223-N225 PolarHBondContact O-N 3.49Å; D223-N225 PolarHBondContact OD1-N 2.84Å
224	P	36.3	Very low	32.2	Very low	113 Å²	113	123.7 Å²	123.7	73%	0.734	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-6.2	-175.4	34.4	-36.3	0	0	0	113	I222	I222-P224 VanDerWaalsContact O-CD 3.26Å; I222-P224 WeakPolarHBondContact O-CD 3.5Å
225	N	34.9	Very low	32	Very low	129 Å²	129	125.7 Å²	125.7	69%	0.69	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-1	-172.3	-66.4	-68.4	0	0	0	114.4	D223 K227	D223-N225 PolarHBondContact O-N 3.49Å; D223-N225 PolarHBondContact OD1-N 2.84Å; N225-K227 VanDerWaalsContact C-N 3.27Å; N225-K227 PolarHBondContact O-N 3.49Å
226	L	35.4	Very low	32.1	Very low	144 Å²	144	128.6 Å²	128.6	75%	0.754	68%	0.68	S	S	*	*			trans	-74.1	77.6	175.8	-119.7	76.6	0	0	0	111.5	S228	L226-S228 PolarHBondContact O-N 2.96Å
227	K	30.8	Very low	31.9	Very low	200 Å²	200	129.4 Å²	129.4	87%	0.87	69%	0.686	S	S	*	*			trans	-60.6	98.7	173.5	-70.1	-174.1	177.7	-176.7	0	111	N225	N225-K227 VanDerWaalsContact C-N 3.27Å; N225-K227 PolarHBondContact O-N 3.49Å
228	S	31.1	Very low	31.8	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	68%	0.684	S	S	*	*			trans	-75.4	126.2	166.2	55.5	0	0	0	0	110.1	L226 D230	L226-S228 PolarHBondContact O-N 2.96Å; S228-D230 PolarHBondContact O-N 2.9Å
229	P	34.2	Very low	31.5	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	70%	0.695	S	S	*	*			trans	-71.3	120	172.8	28.4	-32.6	0	0	0	111
230	D	35.6	Very low	31.4	Very low	138 Å²	138	136.4 Å²	136.4	74%	0.738	71%	0.708	S	S	*	*	S	Bend	trans	48.4	117.4	154.6	-52.4	-31.2	0	0	0	121.2	S228	S228-D230 PolarHBondContact O-N 2.9Å
231	H	32.7	Very low	31.2	Very low	175 Å²	175	138.1 Å²	138.1	81%	0.81	71%	0.714	S	S	*	*			trans	38.6	106.4	145.5	-63.3	-76.5	0	0	0	119.8
232	D	33.4	Very low	31.2	Very low	88 Å²	88	134.1 Å²	134.1	47%	0.471	71%	0.712	S	S	.	*				-158.7	168.2	98.9	-147.6	-16.8	0	0	0	111.5	R686	D232-R686 PolarHBondContact O-NH2 3.08Å
233	N	29.1	Very low	31.1	Very low	115 Å²	115	131.7 Å²	131.7	62%	0.615	70%	0.7	S	S	*	*			trans	-84.4	137.7	-164.6	-67.2	-76.6	0	0	0	115.4	R686	N233-R686 VanDerWaalsContact O-CD 3.23Å; N233-R686 WeakPolarHBondContact O-CD 3.46Å; N233-R686 PolarHBondContact O-NE 2.94Å; N233-R686 PolarHBondContact O-NH1 3.29Å; N233-R686 VanDerWaalsContact O-NH1 3.07Å
234	N	32.9	Very low	30.9	Very low	117 Å²	117	131.1 Å²	131.1	63%	0.626	70%	0.701	S	S	*	*			trans	168.3	132.6	142.1	-77	-17.9	0	0	0	106	D236 R686	N234-D236 PolarHBondContact O-N 2.73Å; N234-R686 VanDerWaalsContact N-NH1 3.11Å; N234-R686 PolarHBondContact O-NH1 3.32Å
235	H	28	Very low	30.6	Very low	183 Å²	183	133 Å²	133	85%	0.847	71%	0.705	S	S	*	*			trans	-85.9	104.9	174.3	-69.9	-88.9	0	0	0	110.6
236	D	31.3	Very low	30.4	Very low	151 Å²	151	134.6 Å²	134.6	81%	0.807	71%	0.708	S	S	*	*			trans	-139.1	95.9	160.1	-94.5	-50.4	0	0	0	106.1	N234 P238	N234-D236 PolarHBondContact O-N 2.73Å; D236-P238 WeakPolarHBondContact O-CD 3.17Å
237	V	28.4	Very low	30	Very low	124 Å²	124	132.7 Å²	132.7	75%	0.752	71%	0.707	S	S	*	*			trans	-92.9	104.6	177.8	-179.9	0	0	0	0	108.4	I239	V237-I239 PolarHBondContact O-N 3.03Å; V237-I239 VanDerWaalsContact O-N 3.1Å
238	P	30.6	Very low	30	Very low	82 Å²	82	130.2 Å²	130.2	53%	0.532	70%	0.703	S	S	.	*			trans	-69.7	110.2	178.3	28.4	-34.7	0	0	0	110.2	D236 Y240	D236-P238 WeakPolarHBondContact O-CD 3.17Å; P238-Y240 HydrophobicContact CB-CD2 4.09Å; P238-Y240 HydrophobicContact CB-CE2 3.76Å; P238-Y240 HydrophobicContact CG-CD2 4.03Å; P238-Y240 HydrophobicContact CG-CE2 3.54Å; P238-Y240 VanDerWaalsContact O-CD2 3.29Å; P238-Y240 WeakPolarHBondContact O-CD2 3.32Å; P238-Y240 PolarHBondContact O-N 3.13Å
239	I	28	Very low	29.7	Very low	150 Å²	150	134.3 Å²	134.3	77%	0.769	71%	0.707	S	S	*	*			trans	-67.6	94.3	171.9	-59.9	173.1	0	0	0	108.7	V237 L241	V237-I239 PolarHBondContact O-N 3.03Å; V237-I239 VanDerWaalsContact O-N 3.1Å; I239-L241 HydrophobicContact CG2-CG 4.21Å; I239-L241 PolarHBondContact O-N 3.31Å; I239-L241 VanDerWaalsContact O-N 3.15Å
240	Y	27.4	Very low	29.3	Very low	194 Å²	194	136.5 Å²	136.5	76%	0.761	71%	0.712	S	S	*	*			trans	-80.3	83.4	171.1	-75.7	-80.5	0	0	0	110.1	P238 T242	P238-Y240 HydrophobicContact CB-CD2 4.09Å; P238-Y240 HydrophobicContact CB-CE2 3.76Å; P238-Y240 HydrophobicContact CG-CD2 4.03Å; P238-Y240 HydrophobicContact CG-CE2 3.54Å; P238-Y240 VanDerWaalsContact O-CD2 3.29Å; P238-Y240 WeakPolarHBondContact O-CD2 3.32Å; P238-Y240 PolarHBondContact O-N 3.13Å; Y240-T242 PolarHBondContact O-N 3.4Å
241	L	26.1	Very low	28.7	Very low	124 Å²	124	135.8 Å²	135.8	65%	0.649	71%	0.712	S	S	*	*			trans	-69.1	89.7	158.9	-78.1	170.3	0	0	0	108.6	C219 I239 L243	C219-L241 HydrophobicContact CB-CD2 4.22Å; I239-L241 HydrophobicContact CG2-CG 4.21Å; I239-L241 PolarHBondContact O-N 3.31Å; I239-L241 VanDerWaalsContact O-N 3.15Å; L241-L243 PolarHBondContact O-N 3.5Å
242	T	27	Very low	28.4	Very low	119 Å²	119	134.2 Å²	134.2	73%	0.73	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-65.4	119.5	164.1	36.8	0	0	0	0	108.2	Y240	Y240-T242 PolarHBondContact O-N 3.4Å
243	L	28.6	Very low	28	Very low	101 Å²	101	135.6 Å²	135.6	53%	0.529	72%	0.723	S	S	.	*	P	Polyproline II helix	trans	-62.7	139.1	160.9	-70.3	167	0	0	0	107.4	P84 L241 D245	P84-L243 HydrophobicContact CB-CD1 4.2Å; L241-L243 PolarHBondContact O-N 3.5Å; L243-D245 PolarHBondContact O-N 3.24Å
244	P	26.9	Very low	27.9	Very low	83 Å²	83	137 Å²	137	54%	0.539	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-64.2	122.4	176.5	25.6	-33.3	0	0	0	110.1	H246	P244-H246 VanDerWaalsContact C-N 3.34Å; P244-H246 PolarHBondContact O-N 2.91Å
245	D	30.5	Very low	27.7	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	75%	0.747	S	S	*	*			trans	-69	89.6	172.7	-84.1	-39.7	0	0	0	109.8	L243 S247	L243-D245 PolarHBondContact O-N 3.24Å; D245-S247 PolarHBondContact O-N 3.32Å; D245-S247 PolarHBondContact O-OG 3.05Å
246	H	29.7	Very low	27.5	Very low	164 Å²	164	135.9 Å²	135.9	76%	0.759	74%	0.735	S	S	*	*			trans	-72.1	54.6	173	-67.5	-51.6	0	0	0	112.5	P244 N248	P244-H246 VanDerWaalsContact C-N 3.34Å; P244-H246 PolarHBondContact O-N 2.91Å; H246-N248 PolarHBondContact O-N 3.2Å; H246-N248 VanDerWaalsContact O-N 3.09Å
247	S	27.3	Very low	27.4	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	74%	0.738	S	S	*	*			trans	-82.1	35.7	177.1	52.8	0	0	0	0	113	D245 K249	D245-S247 PolarHBondContact O-N 3.32Å; D245-S247 PolarHBondContact O-OG 3.05Å; S247-K249 PolarHBondContact O-N 2.9Å
248	N	31	Very low	27.3	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	74%	0.737	S	S	*	*			trans	-90.7	90.2	-178.6	-87	-16.2	0	0	0	112.1	H246 L250	H246-N248 PolarHBondContact O-N 3.2Å; H246-N248 VanDerWaalsContact O-N 3.09Å; N248-L250 PolarHBondContact O-N 3.27Å
249	K	25.8	Very low	27.3	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	75%	0.751	S	S	*	*			trans	13.2	102.8	153.2	-61.5	176.9	-179.3	177.5	0	116.6	S247	S247-K249 PolarHBondContact O-N 2.9Å
250	L	25.1	Very low	27.4	Very low	162 Å²	162	141 Å²	141	85%	0.848	75%	0.75	S	S	*	*			trans	-100.2	116.9	148.6	-104.7	164.3	0	0	0	108.5	N248	N248-L250 PolarHBondContact O-N 3.27Å
251	V	23.1	Very low	27.4	Very low	123 Å²	123	139.9 Å²	139.9	75%	0.745	75%	0.752	S	S	*	*			trans	-103.4	123.5	172.6	177	0	0	0	0	107.2
252	L	25.4	Very low	27.3	Very low	143 Å²	143	139.5 Å²	139.5	75%	0.749	76%	0.757	S	S	*	*			trans	-126.4	148.3	169.6	-72.6	174.7	0	0	0	109
253	P	25.5	Very low	27.3	Very low	117 Å²	117	141 Å²	141	76%	0.76	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.8	140.5	-152	29.9	-36	0	0	0	114
254	V	26.8	Very low	27	Very low	143 Å²	143	140 Å²	140	87%	0.867	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-81.7	125.2	158.7	177.8	0	0	0	0	107.4
255	L	28.8	Very low	26.9	Very low	168 Å²	168	143.3 Å²	143.3	88%	0.88	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-73	134.3	172.6	-95.9	161.2	0	0	0	110.5
256	D	23.8	Very low	26.7	Very low	110 Å²	110	142.2 Å²	142.2	59%	0.588	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-69	139.9	-173.1	-179.8	26.5	0	0	0	112.3	K258	D256-K258 WeakPolarHBondContact OD2-CE 3.4Å; D256-K258 WeakPolarHBondContact OD2-CG 3.07Å
257	N	29.9	Very low	26.6	Very low	163 Å²	163	138.8 Å²	138.8	87%	0.872	77%	0.773	S	S	*	*			trans	-146.2	98.3	166.9	-130.7	-12.9	0	0	0	110
258	K	26.7	Very low	26.6	Very low	167 Å²	167	140.4 Å²	140.4	73%	0.726	77%	0.773	S	S	*	*			trans	-73.5	128.2	-164.7	-57.2	167.7	-172.2	171.4	0	112.8	D256	D256-K258 WeakPolarHBondContact OD2-CE 3.4Å; D256-K258 WeakPolarHBondContact OD2-CG 3.07Å
259	S	29.3	Very low	26.4	Very low	120 Å²	120	140.1 Å²	140.1	84%	0.839	77%	0.771	S	S	*	*			trans	-155.4	160.6	145.7	52.4	0	0	0	0	110.2
260	H	30.5	Very low	26.5	Very low	163 Å²	163	138.9 Å²	138.9	76%	0.755	77%	0.768	S	S	*	*			trans	-110.8	149.8	-153.7	-89.7	-107.7	0	0	0	115.7
261	H	26.9	Very low	26.5	Very low	172 Å²	172	139 Å²	139	80%	0.796	77%	0.769	S	S	*	*			trans	67.6	135.9	156.2	-73.4	-64.8	0	0	0	120.9
262	P	25.2	Very low	26.8	Very low	115 Å²	115	138 Å²	138	75%	0.747	77%	0.766	S	S	*	*			trans	-106.2	152.9	174.8	39.5	-32.5	0	0	0	113.9
263	V	25.8	Very low	26.8	Very low	150 Å²	150	139 Å²	139	91%	0.909	77%	0.77	S	S	*	*			trans	-140.3	146.3	153.3	-177.5	0	0	0	0	107.5
264	A	23.3	Very low	26.8	Very low	80 Å²	80	140 Å²	140	66%	0.661	77%	0.768	S	S	*	*			trans	-101.9	162.8	-178.6	0	0	0	0	0	112.3
265	L	25.2	Very low	26.6	Very low	153 Å²	153	142.6 Å²	142.6	80%	0.801	77%	0.769	S	S	*	*				-165.2	143.7	118.5	-123.9	74.1	0	0	0	113.5
266	D	25.7	Very low	26.4	Very low	130 Å²	130	139.6 Å²	139.6	70%	0.695	76%	0.757	S	S	*	*			trans	54	115.2	142.7	-67	2.2	0	0	0	125.2
267	S	27	Very low	26.5	Very low	91 Å²	91	140 Å²	140	64%	0.636	77%	0.765	S	S	*	*				87	107.1	122.4	78	0	0	0	0	120.4
268	N	27.3	Very low	26.3	Very low	137 Å²	137	137.7 Å²	137.7	73%	0.733	76%	0.761	S	S	*	*				171.3	150.6	90.3	-91.3	-63.7	0	0	0	114
269	L	28	Very low	26.4	Very low	143 Å²	143	139.5 Å²	139.5	75%	0.749	77%	0.769	S	S	*	*			trans	48.4	90.7	166.7	-83.2	66.9	0	0	0	117.1
270	E	27	Very low	26.3	Very low	167 Å²	167	139.2 Å²	139.2	78%	0.78	77%	0.767	S	S	*	*				74.7	98.1	79.2	-72.1	-166.9	148	0	0	116.2
271	N	25.7	Very low	26.1	Very low	163 Å²	163	137.1 Å²	137.1	87%	0.872	77%	0.77	S	S	*	*			trans	-169.1	93.4	132.5	-107.5	-73.9	0	0	0	109.5
272	P	29.3	Very low	26.2	Very low	103 Å²	103	132.9 Å²	132.9	67%	0.669	77%	0.765	S	S	*	*			trans	-78.3	127.2	-178.1	30.4	-33.1	0	0	0	111.9	L274	P272-L274 PolarHBondContact O-N 3.13Å
273	I	25.6	Very low	26.2	Very low	163 Å²	163	135.2 Å²	135.2	84%	0.836	77%	0.766	S	S	*	*			trans	-76.7	91.3	169	-58.9	177.1	0	0	0	108.2	F275	I273-F275 PolarHBondContact O-N 3.11Å
274	L	24.3	Very low	26.3	Very low	139 Å²	139	133.9 Å²	133.9	73%	0.728	75%	0.75	S	S	*	*			trans	-73.6	118.4	178.1	-82.3	168.3	0	0	0	111.9	P272 V276	P272-L274 PolarHBondContact O-N 3.13Å; L274-V276 HydrophobicContact CB-CG2 4.23Å
275	F	23.1	Very low	26.5	Very low	198 Å²	198	138 Å²	138	87%	0.868	75%	0.753	S	S	*	*			trans	-67.1	126.5	157.9	-74.5	-103.6	0	0	0	109.1	I273	I273-F275 PolarHBondContact O-N 3.11Å
276	V	24.9	Very low	26.6	Very low	104 Å²	104	135.2 Å²	135.2	63%	0.63	75%	0.746	S	S	*	*			trans	-133.9	111.7	174.8	-176.4	0	0	0	0	110.7	L274 C278	L274-V276 HydrophobicContact CB-CG2 4.23Å; V276-C278 PolarHBondContact O-N 2.79Å
277	P	25.3	Very low	26.7	Very low	119 Å²	119	138 Å²	138	77%	0.773	75%	0.752	S	S	*	*			trans	-84.3	99.6	175.2	32.2	-31.7	0	0	0	110.8	K279	P277-K279 PolarHBondContact O-N 2.67Å
278	C	26.2	Very low	26.8	Very low	115 Å²	115	141 Å²	141	78%	0.777	76%	0.756	S	S	*	*			trans	-74.2	85.2	-177.1	-69.7	0	0	0	0	113.8	V276	V276-C278 PolarHBondContact O-N 2.79Å
279	K	28.2	Very low	26.7	Very low	204 Å²	204	140.5 Å²	140.5	89%	0.887	75%	0.753	S	S	*	*			trans	-71.8	-175.5	148.5	-74.9	-172.2	176.2	-178.6	0	110.4	P277	P277-K279 PolarHBondContact O-N 2.67Å
280	S	27.2	Very low	26.6	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	76%	0.761	S	S	*	*			trans	-83.5	155	-159.5	51.4	0	0	0	0	117.5
281	S	27.4	Very low	26.6	Very low	119 Å²	119	146 Å²	146	83%	0.832	76%	0.762	S	S	*	*			trans	95.7	159.9	145.3	-146.4	0	0	0	0	120.6
282	A	29.4	Very low	26.7	Very low	83 Å²	83	141.5 Å²	141.5	69%	0.686	74%	0.744	S	S	*	*			trans	54.3	95.4	158.7	0	0	0	0	0	121.4
283	E	24.6	Very low	26.6	Very low	164 Å²	164	146.3 Å²	146.3	77%	0.766	75%	0.75	S	S	*	*				44.9	137.1	117	-73.2	-147.1	92.8	0	0	125.6
284	Q	27.5	Very low	26.8	Very low	123 Å²	123	145.6 Å²	145.6	58%	0.575	75%	0.747	S	S	*	*			trans	83.2	122.6	137.5	-76.8	-176.1	47.5	0	0	123.5
285	K	27.4	Very low	27	Very low	167 Å²	167	144.8 Å²	144.8	73%	0.726	75%	0.748	S	S	*	*			trans	80.3	89.3	134.3	-71.8	172.4	-178.9	157.9	0	121.4
286	S	28.2	Very low	27.2	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	75%	0.75	S	S	*	*				78.8	133.1	105.7	72.3	0	0	0	0	122.5
287	K	26.9	Very low	27.4	Very low	188 Å²	188	145.6 Å²	145.6	82%	0.817	75%	0.751	S	S	*	*			trans	63	141.8	135.2	-68.7	176.5	-177.5	-179	0	117.2
288	Q	28.5	Very low	27.8	Very low	154 Å²	154	145.2 Å²	145.2	72%	0.72	75%	0.749	S	S	*	*			cis	-163.9	160.5	16.5	-128.8	174.3	-28.8	0	0	111.3
289	L	25.8	Very low	28.2	Very low	127 Å²	127	145.1 Å²	145.1	67%	0.665	75%	0.749	S	S	*	*			trans	51	123.5	148.3	-68.4	161.1	0	0	0	121.5
290	F	26.9	Very low	28.5	Very low	209 Å²	209	140.5 Å²	140.5	92%	0.917	74%	0.743	S	S	*	*				-140.6	154.8	106.7	-115.9	-85.3	0	0	0	111
291	R	25.4	Very low	28.8	Very low	216 Å²	216	140.7 Å²	140.7	82%	0.815	74%	0.744	S	S	*	*			trans	-135.9	163.5	177.2	-118.4	-173.2	175.2	172	-2.5	105.5
292	S	27.6	Very low	29.1	Very low	69 Å²	69	140.3 Å²	140.3	48%	0.483	74%	0.741	S	S	.	*			cis	-171	174	11.8	34.6	0	0	0	0	108.1
293	Y	29	Very low	29.2	Very low	204 Å²	204	140 Å²	140	80%	0.8	74%	0.739	S	S	*	*				165.3	142.8	114.3	-94.4	-66.4	0	0	0	114.5
294	L	28.4	Very low	29.4	Very low	148 Å²	148	140.1 Å²	140.1	78%	0.775	74%	0.744	S	S	*	*			trans	62.4	138.4	155.2	-62.4	168.9	0	0	0	117.9
295	T	29.1	Very low	29.5	Very low	123 Å²	123	137.7 Å²	137.7	76%	0.755	74%	0.741	S	S	*	*			cis	-161.6	173.3	-16	-7.4	0	0	0	0	106.5
296	R	27.2	Very low	29.5	Very low	239 Å²	239	140.2 Å²	140.2	90%	0.902	75%	0.745	S	S	*	*			cis	-147.2	-153.7	2.8	-157	176.6	172.6	162	-2.4	108
297	A	29.6	Very low	29.4	Very low	79 Å²	79	142.4 Å²	142.4	65%	0.653	75%	0.749	S	S	*	*			trans	-154	-172.5	172.1	0	0	0	0	0	108.8
298	P	34	Very low	29.3	Very low	112 Å²	112	140.2 Å²	140.2	73%	0.727	75%	0.746	S	S	*	*				-151.7	159.2	69.9	44.1	-25.5	0	0	0	118.8
299	S	34	Very low	29.2	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	75%	0.75	S	S	*	*			trans	52.7	154.8	134.5	66.7	0	0	0	0	123
300	S	35.1	Very low	29.2	Very low	107 Å²	107	136.5 Å²	136.5	75%	0.748	75%	0.753	S	S	*	*			cis	-139.2	138.6	14.3	47.8	0	0	0	0	111.9
301	S	32.7	Very low	29.1	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	75%	0.745	S	S	*	*				70.6	139	89.7	-145.7	0	0	0	0	113.7
302	S	34.6	Very low	29	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	74%	0.743	S	S	*	*			cis	-154.9	-175.4	21.5	78.5	0	0	0	0	110
303	A	31.1	Very low	28.9	Very low	76 Å²	76	129.2 Å²	129.2	63%	0.628	75%	0.75	S	S	*	*			cis	-171	144.9	-28	0	0	0	0	0	111.9
304	L	29	Very low	28.7	Very low	166 Å²	166	125.5 Å²	125.5	87%	0.869	75%	0.749	S	S	*	*			trans	61.1	154.8	146.9	-61	173.2	0	0	0	122
305	S	28.2	Very low	28.5	Very low	73 Å²	73	123.3 Å²	123.3	51%	0.51	75%	0.745	S	S	.	*			cis	-174.4	171.9	-33.7	50.4	0	0	0	0	113
306	W	29.3	Very low	28.3	Very low	219 Å²	219	123 Å²	123	83%	0.83	75%	0.748	S	S	*	*			trans	84.3	132.4	171.5	-45.8	104.1	0	0	0	116.4
307	L	24.4	Very low	28.2	Very low	140 Å²	140	115.5 Å²	115.5	73%	0.733	73%	0.733	S	S	*	*			cis	72.3	129.4	39.6	-66.3	163.5	0	0	0	112.2
308	L	25.9	Very low	28	Very low	142 Å²	142	117.8 Å²	117.8	74%	0.743	74%	0.739	S	S	*	*			cis	-150.9	159.5	32.4	-76.8	167.3	0	0	0	115.5
309	T	25.6	Very low	27.6	Very low	133 Å²	133	119 Å²	119	82%	0.816	74%	0.737	S	S	*	*			trans	33.6	144.1	143.5	62.2	0	0	0	0	125.5
310	G	25.6	Very low	27.2	Very low	69 Å²	69	123.4 Å²	123.4	71%	0.711	74%	0.736	S	S	*	*			trans	127.1	122.2	162.6	0	0	0	0	0	111.7
311	S	24.8	Very low	26.8	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	73%	0.731	S	S	*	*			cis	62.2	123.8	26.6	-55.5	0	0	0	0	113.5
312	N	24.5	Very low	26.5	Very low	142 Å²	142	124.8 Å²	124.8	76%	0.759	73%	0.729	S	S	*	*			cis	-158	168.6	5.5	-108.8	-8.4	0	0	0	112.1
313	S	25.3	Very low	26.2	Very low	91 Å²	91	124 Å²	124	64%	0.636	72%	0.723	S	S	*	*			trans	55.5	134	142.6	62.2	0	0	0	0	123
314	T	24.6	Very low	26.1	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	73%	0.73	S	S	*	*			trans	65.2	157.1	140.5	56.1	0	0	0	0	118.8
315	S	23.8	Very low	26	Very low	101 Å²	101	126.7 Å²	126.7	71%	0.706	73%	0.728	S	S	*	*			cis	-169.3	163.5	-21.1	-96.7	0	0	0	0	107.9
316	S	24.8	Very low	26	Very low	116 Å²	116	130.4 Å²	130.4	81%	0.811	74%	0.737	S	S	*	*			trans	65.5	161.4	166.8	-104.2	0	0	0	0	115.9
317	S	26	Very low	26	Very low	82 Å²	82	128.4 Å²	128.4	57%	0.573	73%	0.734	S	S	*	*			cis	-174.2	150.9	-32.8	44	0	0	0	0	108.5
318	T	25	Very low	26.1	Very low	127 Å²	127	127 Å²	127	78%	0.779	73%	0.731	S	S	*	*			trans	62.8	157.1	157.5	50.4	0	0	0	0	116.6
319	M	24.8	Very low	26.2	Very low	139 Å²	139	125.8 Å²	125.8	69%	0.685	73%	0.732	S	S	*	*			cis	-157.3	165.3	-2.1	-119.8	-100.7	123.3	0	0	108
320	R	25.9	Very low	26.2	Very low	205 Å²	205	125.6 Å²	125.6	77%	0.774	73%	0.731	S	S	*	*			trans	68.8	147.9	154.8	-73.8	156.2	-162.2	-169.4	1.8	118.4
321	T	26.8	Very low	26.2	Very low	105 Å²	105	127.5 Å²	127.5	64%	0.644	73%	0.731	S	S	*	*			cis	-165.6	143	-26.1	13.4	0	0	0	0	107.8
322	N	27.1	Very low	26.3	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	73%	0.732	S	S	*	*			trans	64.3	158.8	159	-47.5	-9.4	0	0	0	115.6
323	S	28.3	Very low	26.4	Very low	93 Å²	93	127 Å²	127	65%	0.65	73%	0.733	S	S	*	*			cis	-141.1	158.1	0.8	-29	0	0	0	0	111.8
324	D	28.1	Very low	26.5	Very low	143 Å²	143	129.2 Å²	129.2	77%	0.765	74%	0.737	S	S	*	*			trans	69.6	116.2	141.7	-55.7	-27.5	0	0	0	123.9
325	L	28.2	Very low	26.6	Very low	157 Å²	157	128.4 Å²	128.4	82%	0.822	74%	0.737	S	S	*	*			trans	80.8	83.4	132.9	-65.5	168.2	0	0	0	120.8
326	Q	28.1	Very low	26.7	Very low	151 Å²	151	129.7 Å²	129.7	71%	0.706	73%	0.734	S	S	*	*			trans	-21.4	156.5	133.9	-50.2	170.9	-8.1	0	0	115.4
327	K	28.5	Very low	26.7	Very low	176 Å²	176	130 Å²	130	77%	0.765	74%	0.735	S	S	*	*				-170.8	166.8	59.4	-81.1	-174.8	-178.7	175.1	0	111.1
328	T	27	Very low	26.7	Very low	110 Å²	110	130.7 Å²	130.7	68%	0.675	74%	0.74	S	S	*	*			cis	-175.2	138.8	-38	32	0	0	0	0	106.5
329	P	27.4	Very low	26.7	Very low	118 Å²	118	129.9 Å²	129.9	77%	0.766	74%	0.735	S	S	*	*			trans	-105.1	163.5	171.5	38.8	-32.8	0	0	0	113.9
330	V	25.2	Very low	26.8	Very low	129 Å²	129	130.1 Å²	130.1	78%	0.782	74%	0.739	S	S	*	*			trans	68.3	121.9	143.4	164.6	0	0	0	0	121.2
331	C	25.3	Very low	26.9	Very low	108 Å²	108	128.3 Å²	128.3	73%	0.73	74%	0.739	S	S	*	*			trans	61	127.4	146.5	-71.4	0	0	0	0	124.2
332	C	27.1	Very low	27	Very low	113 Å²	113	128.6 Å²	128.6	76%	0.764	74%	0.741	S	S	*	*			trans	61.4	145.9	130.2	-56.7	0	0	0	0	122.3
333	V	27	Very low	26.8	Very low	129 Å²	129	131.9 Å²	131.9	78%	0.782	74%	0.742	S	S	*	*				163.3	145.2	111	161.6	0	0	0	0	113
334	N	27.4	Very low	26.9	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	75%	0.747	S	S	*	*			trans	-45.5	156.8	177.2	-33.6	-27	0	0	0	120
335	S	27	Very low	26.9	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	74%	0.743	S	S	*	*			trans	-155.9	138.4	131.3	-161.7	0	0	0	0	107.6
336	I	25.3	Very low	26.7	Very low	128 Å²	128	130.8 Å²	130.8	66%	0.656	74%	0.742	S	S	*	*			cis	90.2	111.4	28	-57.7	174	0	0	0	114
337	C	25.7	Very low	26.8	Very low	122 Å²	122	128.9 Å²	128.9	82%	0.824	75%	0.746	S	S	*	*			trans	60.2	155.3	166.3	-63	0	0	0	0	118.2
338	S	24.9	Very low	26.6	Very low	96 Å²	96	126.5 Å²	126.5	67%	0.671	75%	0.746	S	S	*	*			cis	-154.4	157	16.6	-158.6	0	0	0	0	114.8
339	T	26.1	Very low	26.8	Very low	110 Å²	110	128 Å²	128	68%	0.675	76%	0.755	S	S	*	*			trans	15.7	125.9	148	56.5	0	0	0	0	120.3
340	N	27.2	Very low	26.6	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	76%	0.757	S	S	*	*				-173.9	161.3	85.3	-97.9	-23.7	0	0	0	114.2
341	E	27.2	Very low	26.8	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	76%	0.762	S	S	*	*			trans	19.5	144.9	159.1	-47.2	-155.5	149.1	0	0	121.4
342	T	28.2	Very low	26.8	Very low	111 Å²	111	132.8 Å²	132.8	68%	0.681	77%	0.767	S	S	*	*			cis	-163.8	147.4	44.3	-39.5	0	0	0	0	113
343	R	24.4	Very low	26.9	Very low	218 Å²	218	135.5 Å²	135.5	82%	0.823	77%	0.773	S	S	*	*			trans	8.7	145	155.2	-52.5	172.6	-177.1	-175.2	0	119.9
344	L	29.2	Very low	26.8	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	77%	0.774	S	S	*	*				-162.2	128	60.7	-87.9	170.3	0	0	0	115.8
345	T	28.6	Very low	27	Very low	110 Å²	110	136.9 Å²	136.9	68%	0.675	78%	0.781	S	S	*	*			trans	43.6	120	136	60.2	0	0	0	0	124.7
346	S	24.9	Very low	27.1	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	78%	0.784	S	S	*	*				68.7	154.3	129.8	75.1	0	0	0	0	120.3
347	S	29.5	Very low	27.5	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	79%	0.787	S	S	*	*			cis	-147.4	163	8.3	52.4	0	0	0	0	112.8
348	T	24.1	Very low	27.7	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	79%	0.786	S	S	*	*			trans	-80.8	155.2	171	29.5	0	0	0	0	113.3
349	T	30.7	Very low	28	Very low	141 Å²	141	142.5 Å²	142.5	87%	0.865	78%	0.784	S	S	*	*			trans	-163.8	127.8	138.8	18.6	0	0	0	0	112
350	D	24.2	Very low	28.3	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	80%	0.795	S	S	*	*			trans	-81.5	143.5	159.6	-63.3	-79.8	0	0	0	110.3
351	L	29.7	Very low	28.5	Very low	169 Å²	169	140.9 Å²	140.9	89%	0.885	79%	0.794	S	S	*	*			trans	-145.4	113	156.2	-83.4	-175.6	0	0	0	111.3
352	T	23.7	Very low	28.7	Very low	134 Å²	134	138.3 Å²	138.3	82%	0.822	79%	0.794	S	S	*	*			trans	-95.7	150	156.4	46.4	0	0	0	0	108.9
353	L	30.2	Very low	28.7	Very low	171 Å²	171	138.8 Å²	138.8	90%	0.895	80%	0.797	S	S	*	*			trans	-166.3	143.4	157	-110.5	168.5	0	0	0	111.4
354	N	24.8	Very low	29.1	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	79%	0.794	S	S	*	*			trans	-99.3	154.6	175.8	-71.9	-48.1	0	0	0	110.9
355	T	32.3	Very low	29.2	Very low	145 Å²	145	133.2 Å²	133.2	89%	0.89	80%	0.798	S	S	*	*			trans	-154.8	147.4	144.2	7.4	0	0	0	0	114.4
356	H	29.2	Very low	29.2	Very low	179 Å²	179	132.3 Å²	132.3	83%	0.829	80%	0.802	S	S	*	*			trans	-62.9	175.8	174.6	-73.3	-98.8	0	0	0	113.7
357	V	32.2	Very low	29.7	Very low	117 Å²	117	132.6 Å²	132.6	71%	0.709	80%	0.801	S	S	*	*				-178.2	127.4	79.1	156.4	0	0	0	0	112.9
358	K	31.2	Very low	29.5	Very low	188 Å²	188	132.2 Å²	132.2	82%	0.817	80%	0.798	S	S	*	*			trans	48.6	163.4	143.6	-66.2	178.8	-170.9	176.7	0	122.2
359	S	29.8	Very low	30.1	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	80%	0.795	S	S	*	*			cis	178.7	164.8	-32	59.9	0	0	0	0	110.8
360	V	32.4	Very low	30.1	Very low	149 Å²	149	129.6 Å²	129.6	90%	0.903	79%	0.788	S	S	*	*			trans	73.4	136.1	174.1	-167.4	0	0	0	0	113.7
361	G	31.5	Very low	30.4	Very low	72 Å²	72	127.1 Å²	127.1	74%	0.742	78%	0.783	S	S	*	*			cis	177.7	178.2	-2.7	0	0	0	0	0	109
362	S	32.5	Very low	30.3	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	78%	0.776	S	S	*	*			cis	-162.8	-166.3	-3.1	-159.3	0	0	0	0	111.6
363	T	28	Very low	30.6	Very low	121 Å²	121	122.7 Å²	122.7	74%	0.742	77%	0.772	S	S	*	*			trans	-36.9	152.5	168.6	52.1	0	0	0	0	117.7
364	V	31.9	Very low	30.5	Very low	125 Å²	125	122.1 Å²	122.1	76%	0.758	77%	0.766	S	S	*	*				-164.2	134.9	66.5	159.5	0	0	0	0	114
365	S	31.1	Very low	30.7	Very low	121 Å²	121	121 Å²	121	85%	0.846	76%	0.759	S	S	*	*			trans	51.4	152.4	149.1	-57.9	0	0	0	0	126.1
366	A	29.2	Very low	30.4	Very low	91 Å²	91	121.1 Å²	121.1	75%	0.752	75%	0.754	S	S	*	*			trans	-107.3	-160.8	174.2	0	0	0	0	0	110.2
367	P	35	Very low	30.4	Very low	121 Å²	121	116.6 Å²	116.6	79%	0.786	75%	0.748	S	S	*	*			cis	-138.9	-168.9	13.4	43.4	-22.2	0	0	0	117
368	S	26.8	Very low	30.1	Very low	104 Å²	104	116.9 Å²	116.9	73%	0.727	75%	0.75	S	S	*	*			trans	-77.4	-173.5	168.4	59.5	0	0	0	0	111.8
369	P	36.4	Very low	30	Very low	109 Å²	109	115 Å²	115	71%	0.708	74%	0.744	S	S	*	*			cis	-147	-166.4	13.6	43	-20.9	0	0	0	118
370	S	30.2	Very low	29.8	Very low	102 Å²	102	114 Å²	114	71%	0.713	74%	0.737	S	S	*	*			trans	104.1	138.6	138.7	72.2	0	0	0	0	123.2
371	S	29.8	Very low	29.6	Very low	100 Å²	100	113.5 Å²	113.5	70%	0.699	73%	0.729	S	S	*	*			trans	64.4	101	146.7	54	0	0	0	0	123.3
372	S	29	Very low	29.3	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	73%	0.73	S	S	*	*				84.8	146.2	114.8	68.5	0	0	0	0	124
373	S	29.7	Very low	29.1	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	74%	0.736	S	S	*	*			trans	75.7	103.1	153	55.6	0	0	0	0	122.1
374	M	27.8	Very low	29	Very low	159 Å²	159	124.7 Å²	124.7	78%	0.783	74%	0.737	S	S	*	*				76.5	121.8	119.7	-62.7	-120.1	88.6	0	0	122.2
375	L	28.1	Very low	28.9	Very low	125 Å²	125	124.8 Å²	124.8	65%	0.654	74%	0.743	S	S	*	*			trans	80	106.1	139.3	-63.7	166.8	0	0	0	121.4
376	N	27	Very low	28.6	Very low	147 Å²	147	128 Å²	128	79%	0.786	75%	0.745	S	S	*	*			trans	83.7	143.7	130.6	-65	-9.6	0	0	0	122.3
377	A	28.3	Very low	28.7	Very low	85 Å²	85	128.9 Å²	128.9	70%	0.702	75%	0.746	S	S	*	*			trans	71.4	88.2	153.8	0	0	0	0	0	120.1
378	T	26.1	Very low	28.3	Very low	122 Å²	122	132 Å²	132	75%	0.748	75%	0.75	S	S	*	*				43.7	110.5	127.3	56.4	0	0	0	0	120
379	H	30.2	Very low	28.2	Very low	148 Å²	148	136.5 Å²	136.5	69%	0.685	76%	0.756	S	S	*	*				-173.2	150.5	97.3	-113.1	-82.4	0	0	0	115.4
380	S	25.6	Very low	27.8	Very low	70 Å²	70	137.2 Å²	137.2	49%	0.49	76%	0.761	S	S	.	*			trans	42.7	154.7	149.2	-58.8	0	0	0	0	124.3	E431	S380-E431 PolarHBondContact OG-OE1 3.27Å
381	L	28.1	Very low	27.6	Very low	139 Å²	139	136.6 Å²	136.6	73%	0.728	76%	0.762	S	S	*	*			trans	82.2	105.2	159.9	-52.3	-172.9	0	0	0	120.7
382	N	25	Very low	27.5	Very low	142 Å²	142	141.6 Å²	141.6	76%	0.759	77%	0.771	S	S	*	*			trans	32.6	126	130	-54	-8.9	0	0	0	120.7
383	Y	28.8	Very low	27.3	Very low	232 Å²	232	143.8 Å²	143.8	91%	0.91	77%	0.774	S	S	*	*				-155.4	153.9	115	-117.8	-77.3	0	0	0	111.6
384	E	24.7	Very low	27.2	Very low	166 Å²	166	144.8 Å²	144.8	78%	0.776	78%	0.775	S	S	*	*			trans	-82	149.3	178.4	-63.6	174.4	95.8	0	0	112.7
385	S	29.8	Very low	27.2	Very low	126 Å²	126	141.4 Å²	141.4	88%	0.881	77%	0.765	S	S	*	*			trans	-155.6	143.2	155.9	-74.2	0	0	0	0	109.9
386	Q	25.8	Very low	27.1	Very low	190 Å²	190	141.3 Å²	141.3	89%	0.888	78%	0.775	S	S	*	*			trans	-102.2	145.8	-167.9	-59.1	168.6	0.5	0	0	112.2
387	S	29.6	Very low	27.2	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	77%	0.774	S	S	*	*			trans	-153	105.8	146.4	-161.2	0	0	0	0	113.6
388	Q	27.7	Very low	27.1	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	78%	0.778	S	S	*	*			trans	41.5	104.7	142.7	-56.9	-175.8	-1.7	0	0	120
389	K	24.3	Very low	27.3	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.865	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-87.5	140.6	148.2	-73	176.8	176.6	173.1	0	109.9
390	P	27.5	Very low	27.1	Very low	125 Å²	125	141.5 Å²	141.5	81%	0.812	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-74.9	123.8	153.4	31.2	-30.1	0	0	0	109.2
391	A	27.4	Very low	27.1	Very low	88 Å²	88	146 Å²	146	73%	0.727	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95	129.3	173.2	0	0	0	0	0	110.1
392	F	26.5	Very low	27.3	Very low	205 Å²	205	148 Å²	148	90%	0.899	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-99.1	123.6	162.8	-103.7	-88.5	0	0	0	109.1
393	L	24.8	Very low	27.6	Very low	153 Å²	153	147 Å²	147	80%	0.801	80%	0.799	S	S	*	*			trans	-138.5	105.4	-171.2	-148.7	176.5	0	0	0	107.6
394	V	28.1	Very low	27.5	Very low	125 Å²	125	142.8 Å²	142.8	76%	0.758	79%	0.791	S	S	*	*			trans	-135.6	135.3	-176.5	179.7	0	0	0	0	107.4
395	P	28.6	Very low	27.7	Very low	88 Å²	88	139.9 Å²	139.9	57%	0.571	79%	0.785	S	S	*	*				-113	161.8	-125	39.4	-35.9	0	0	0	116.6	N397	P395-N397 PolarHBondContact O-N 3.19Å
396	S	24.6	Very low	27.6	Very low	123 Å²	123	145 Å²	145	86%	0.86	79%	0.785	S	S	*	*			trans	-73.6	102.6	164.3	-55.8	0	0	0	0	110.8	S398	S396-S398 PolarHBondContact O-N 2.73Å
397	N	30.8	Very low	27.8	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	78%	0.778	S	S	*	*			trans	-84.5	103.5	175.7	-81.4	-9.9	0	0	0	111.9	P395	P395-N397 PolarHBondContact O-N 3.19Å
398	S	24.7	Very low	28	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	77%	0.773	S	S	*	*			trans	-98.2	115.2	162.6	58.7	0	0	0	0	110.4	S396	S396-S398 PolarHBondContact O-N 2.73Å
399	I	30.8	Very low	28.1	Very low	166 Å²	166	142.2 Å²	142.2	85%	0.851	78%	0.777	S	S	*	*			trans	-128	145.9	167.2	-62.4	-178.1	0	0	0	107.6
400	A	26.3	Very low	28.4	Very low	84 Å²	84	135.9 Å²	135.9	69%	0.694	77%	0.769	S	S	*	*			trans	-133.8	173.4	-153.9	0	0	0	0	0	115.3
401	L	26.1	Very low	28.5	Very low	163 Å²	163	141.8 Å²	141.8	85%	0.853	78%	0.775	S	S	*	*			trans	84	149.9	153.4	-80.8	163.3	0	0	0	120.6
402	K	30.8	Very low	28.3	Very low	181 Å²	181	145 Å²	145	79%	0.787	78%	0.779	S	S	*	*			trans	83.5	130.1	175.6	-56.5	175	-175.3	173.8	0	114.5
403	N	31.4	Very low	28.4	Very low	122 Å²	122	141.8 Å²	141.8	65%	0.652	77%	0.77	S	S	*	*			cis	-163.5	146	-0.7	-119.1	-2.7	0	0	0	113.5
404	L	27.5	Very low	28.6	Very low	143 Å²	143	140.6 Å²	140.6	75%	0.749	77%	0.769	S	S	*	*			trans	66.3	148	149.1	-56.5	167.3	0	0	0	117.5
405	T	29.5	Very low	28.6	Very low	106 Å²	106	138.7 Å²	138.7	65%	0.65	76%	0.761	S	S	*	*			cis	-158.9	146.2	1.2	-2.2	0	0	0	0	112.8
406	R	26.9	Very low	28.5	Very low	232 Å²	232	141.1 Å²	141.1	88%	0.875	77%	0.77	S	S	*	*			trans	62.7	151	148.3	-67.8	-178.5	175	-174	-2.6	119.3
407	V	29.6	Very low	28.8	Very low	122 Å²	122	142.3 Å²	142.3	74%	0.739	77%	0.766	S	S	*	*			cis	-144.1	153.5	-4.8	112.1	0	0	0	0	110.6
408	P	34.4	Very low	28.6	Very low	103 Å²	103	143.1 Å²	143.1	67%	0.669	77%	0.767	S	S	*	*			trans	-120	172.3	-173.2	43	-32.8	0	0	0	115.4
409	Q	30.8	Very low	28.9	Very low	201 Å²	201	144.9 Å²	144.9	94%	0.939	77%	0.768	S	S	*	*			trans	-179.3	142.5	146	-101.8	154.4	75.7	0	0	110.7
410	G	28.8	Very low	28.8	Very low	67 Å²	67	141.7 Å²	141.7	69%	0.691	76%	0.76	S	S	*	*			cis	173.6	172.2	-9.2	0	0	0	0	0	113.4
411	R	29.5	Very low	29	Very low	249 Å²	249	144.6 Å²	144.6	94%	0.94	76%	0.763	S	S	*	*			trans	64.8	101.9	172.2	-59.9	-179.8	177.1	168.5	-0.7	116.4
412	N	24.9	Very low	29.2	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	76%	0.76	S	S	*	*			cis	81.5	135.4	30.5	-152.1	24.9	0	0	0	115.1
413	I	28.5	Very low	29.1	Very low	139 Å²	139	140 Å²	140	71%	0.713	76%	0.756	S	S	*	*			trans	112.4	108.2	161.5	-60.8	163.9	0	0	0	118.6
414	V	29.3	Very low	29	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	77%	0.765	S	S	*	*				42.2	140.7	127.6	-175.2	0	0	0	0	120.9
415	S	26.6	Very low	29	Very low	84 Å²	84	140.2 Å²	140.2	59%	0.587	77%	0.768	S	S	*	*			cis	-168.8	170.5	-23.4	61.5	0	0	0	0	111.1
416	D	28	Very low	28.8	Very low	140 Å²	140	140.2 Å²	140.2	75%	0.749	77%	0.771	S	S	*	*			trans	71.8	146.4	154.9	-54	-46.9	0	0	0	123.2
417	N	30.3	Very low	28.7	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	77%	0.77	S	S	*	*			trans	69.1	96.2	163.9	-70.1	-33	0	0	0	121.5
418	M	25.2	Very low	28.8	Very low	160 Å²	160	136.6 Å²	136.6	79%	0.788	76%	0.764	S	S	*	*				52.5	100.2	121.8	-61	-71.9	-109.6	0	0	118.6
419	N	31.3	Very low	28.5	Very low	151 Å²	151	141.7 Å²	141.7	81%	0.807	78%	0.776	S	S	*	*				-176.2	148	104.6	-98.3	-51.6	0	0	0	115.4
420	S	29.4	Very low	28.4	Very low	99 Å²	99	138 Å²	138	69%	0.692	77%	0.767	S	S	*	*			trans	76.8	130.2	150.8	78	0	0	0	0	122.1
421	L	30	Very low	28.4	Very low	145 Å²	145	140.6 Å²	140.6	76%	0.759	76%	0.761	S	S	*	*			trans	85	113.5	143.7	-68.4	159.3	0	0	0	122.2
422	N	30.4	Very low	28.2	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	75%	0.746	S	S	*	*			trans	77.6	126.2	147.7	-57.2	-23.3	0	0	0	119
423	S	28.8	Very low	28.5	Very low	102 Å²	102	133 Å²	133	71%	0.713	75%	0.749	S	S	*	*			cis	-156.6	156.5	-4.6	52.2	0	0	0	0	114.2
424	S	29.9	Very low	28.4	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	75%	0.753	S	S	*	*			trans	49.3	102.1	165.4	55.4	0	0	0	0	118.3
425	N	26.5	Very low	28.2	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	75%	0.754	S	S	*	*			trans	-137.7	133.3	167.7	-158.8	4.3	0	0	0	110.9
426	C	25.1	Very low	28.2	Very low	106 Å²	106	134.8 Å²	134.8	72%	0.716	77%	0.767	S	S	*	*			trans	54.9	143.8	152.3	-80.7	0	0	0	0	124.9
427	Q	25.3	Very low	28.1	Very low	182 Å²	182	135.1 Å²	135.1	85%	0.85	77%	0.767	S	S	*	*			trans	84.8	154	143.3	-70.7	-81.6	-46	0	0	120.8
428	P	32	Very low	28	Very low	96 Å²	96	135.7 Å²	135.7	62%	0.623	77%	0.77	S	S	*	*			trans	-113.8	169.8	-163.1	42.6	-32.7	0	0	0	114.8
429	F	28.5	Very low	28.1	Very low	209 Å²	209	133.6 Å²	133.6	92%	0.917	77%	0.768	S	S	*	*			trans	-148.8	170.4	159.5	-128.2	-92.6	0	0	0	112
430	V	27.5	Very low	28	Very low	124 Å²	124	129.6 Å²	129.6	75%	0.752	76%	0.763	S	S	*	*			trans	-130.4	165.9	-168.3	-164.9	0	0	0	0	111.2
431	E	29.7	Very low	28.1	Very low	121 Å²	121	132.5 Å²	132.5	57%	0.565	77%	0.771	S	S	*	*			trans	96.9	108	162.6	-56	-154.8	133.6	0	0	119.7	S380	S380-E431 PolarHBondContact OG-OE1 3.27Å
432	N	26	Very low	27.9	Very low	118 Å²	118	133.7 Å²	133.7	63%	0.631	78%	0.778	S	S	*	*				42.9	118.2	127.1	-56.2	-16.7	0	0	0	121.1
433	S	31.5	Very low	27.9	Very low	126 Å²	126	134 Å²	134	88%	0.881	78%	0.778	S	S	*	*			trans	-151.3	152.1	132.3	-81.5	0	0	0	0	110.2
434	T	24.9	Very low	27.9	Very low	129 Å²	129	135.6 Å²	135.6	79%	0.791	78%	0.783	S	S	*	*			trans	-116.7	172.9	-167.2	38.3	0	0	0	0	113.6
435	C	24.9	Very low	27.7	Very low	119 Å²	119	134.2 Å²	134.2	80%	0.804	78%	0.779	S	S	*	*			trans	75.8	153	171.5	-47.4	0	0	0	0	114.3
436	V	28.3	Very low	27.9	Very low	141 Å²	141	133.5 Å²	133.5	86%	0.855	78%	0.78	S	S	*	*			cis	-129.1	159	1.9	-178.2	0	0	0	0	109.4
437	I	24.7	Very low	28	Very low	146 Å²	146	137.6 Å²	137.6	75%	0.749	79%	0.785	S	S	*	*			trans	-86	144	175.5	-62.6	165.4	0	0	0	111.1
438	N	28.6	Very low	28.1	Very low	160 Å²	160	137.6 Å²	137.6	86%	0.856	78%	0.783	S	S	*	*			trans	-140.9	133.2	146.1	-115.4	-23.1	0	0	0	110.1
439	P	28	Very low	28	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	79%	0.787	S	S	*	*			trans	-96.1	147.1	-170.7	36.4	-34	0	0	0	113.2
440	G	27.9	Very low	28	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	78%	0.783	S	S	*	*			trans	155.2	66.9	168.6	0	0	0	0	0	116.7
441	N	31.4	Very low	28.1	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	78%	0.781	S	S	*	*			trans	173.5	143.4	136.3	-89.1	-26.2	0	0	0	111.5	I443	N441-I443 PolarHBondContact O-N 3.19Å
442	N	25.7	Very low	28	Very low	170 Å²	170	137 Å²	137	91%	0.909	79%	0.791	S	S	*	*			trans	-86	99.6	-170.2	-71.6	-34.1	0	0	0	112.6
443	I	31.3	Very low	28.1	Very low	153 Å²	153	135.8 Å²	135.8	79%	0.785	79%	0.79	S	S	*	*			trans	-131.4	115	165.8	-58	-179.7	0	0	0	109.4	N441 A445	N441-I443 PolarHBondContact O-N 3.19Å; I443-A445 VanDerWaalsContact C-N 3.31Å; I443-A445 PolarHBondContact O-N 3.35Å
444	T	28.7	Very low	28	Very low	136 Å²	136	137.6 Å²	137.6	83%	0.834	79%	0.785	S	S	*	*			trans	-80.6	68.2	-169.4	-30	0	0	0	0	113.1	V446	T444-V446 PolarHBondContact O-N 3.1Å; T444-V446 VanDerWaalsContact O-N 3.11Å
445	A	25.9	Very low	28.1	Very low	89 Å²	89	138.1 Å²	138.1	74%	0.736	78%	0.776	S	S	*	*			trans	-73.4	97.2	178.9	0	0	0	0	0	112.4	I443 K447	I443-A445 VanDerWaalsContact C-N 3.31Å; I443-A445 PolarHBondContact O-N 3.35Å; A445-K447 PolarHBondContact O-N 3.38Å
446	V	30.3	Very low	28.3	Very low	135 Å²	135	137.7 Å²	137.7	82%	0.818	77%	0.772	S	S	*	*			trans	-69.8	111.8	175.3	-179.1	0	0	0	0	110.2	T444	T444-V446 PolarHBondContact O-N 3.1Å; T444-V446 VanDerWaalsContact O-N 3.11Å
447	K	28	Very low	28.3	Very low	192 Å²	192	136.9 Å²	136.9	84%	0.835	77%	0.772	S	S	*	*			trans	-59.6	137.4	174.4	-76.4	-178.6	174.9	177.5	0	111	A445 S449	A445-K447 PolarHBondContact O-N 3.38Å; K447-S449 PolarHBondContact O-N 3.46Å; K447-S449 VanDerWaalsContact O-N 3.13Å
448	K	27.4	Very low	28.6	Very low	183 Å²	183	137.2 Å²	137.2	80%	0.796	77%	0.774	S	S	*	*			trans	-68.7	104	165.7	-71.4	-174.8	175.3	-173.6	0	109.6
449	S	28.8	Very low	28.7	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	77%	0.77	S	S	*	*			trans	-86.7	129.3	163	45.2	0	0	0	0	109.9	K447 I451	K447-S449 PolarHBondContact O-N 3.46Å; K447-S449 VanDerWaalsContact O-N 3.13Å; S449-I451 PolarHBondContact O-N 3.08Å
450	S	29.8	Very low	28.6	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	77%	0.771	S	S	*	*			trans	-70.4	117.3	169.1	-56.8	0	0	0	0	108.9	K452	S450-K452 PolarHBondContact O-N 2.87Å
451	I	28.8	Very low	28.7	Very low	139 Å²	139	137.9 Å²	137.9	71%	0.713	78%	0.775	S	S	*	*			trans	-72.3	97.1	178.6	-61.8	167.8	0	0	0	108.9	S449	S449-I451 PolarHBondContact O-N 3.08Å
452	K	28.2	Very low	28.4	Very low	176 Å²	176	137 Å²	137	77%	0.765	78%	0.775	S	S	*	*			trans	-94	113.4	154.5	-82.5	-171.5	172.2	-173.9	0	107.8	S450 H454	S450-K452 PolarHBondContact O-N 2.87Å; K452-H454 PolarHBondContact O-N 2.73Å
453	C	27.7	Very low	28.7	Very low	92 Å²	92	133.3 Å²	133.3	62%	0.622	77%	0.769	S	S	*	*			trans	-72.6	111.5	169.5	-59.9	0	0	0	0	108.9
454	H	27.9	Very low	28.6	Very low	164 Å²	164	131.5 Å²	131.5	76%	0.759	77%	0.77	S	S	*	*			trans	-101	122.9	162.7	-81.2	-79.4	0	0	0	108.3	K452	K452-H454 PolarHBondContact O-N 2.73Å
455	F	28.8	Very low	28.4	Very low	141 Å²	141	131.4 Å²	131.4	62%	0.618	77%	0.769	S	S	*	*			trans	-71.6	138	168.7	-74.5	-91.1	0	0	0	109.8	S457	F455-S457 PolarHBondContact O-N 2.82Å
456	P	29	Very low	28.6	Very low	110 Å²	110	134.1 Å²	134.1	71%	0.714	78%	0.777	S	S	*	*			trans	-79.3	110	177.5	30.8	-32.3	0	0	0	110.5	I458	P456-I458 PolarHBondContact O-N 2.92Å
457	S	27.3	Very low	28.5	Very low	123 Å²	123	132.6 Å²	132.6	86%	0.86	76%	0.764	S	S	*	*			trans	-71.1	105.9	171.7	40.5	0	0	0	0	110.9	F455	F455-S457 PolarHBondContact O-N 2.82Å
458	I	32.2	Very low	28.6	Very low	153 Å²	153	128.7 Å²	128.7	79%	0.785	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-87.1	117.6	176.2	-61.3	178.6	0	0	0	109.2	P456	P456-I458 PolarHBondContact O-N 2.92Å
459	S	29.9	Very low	28.7	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-82.3	144	174.1	44.5	0	0	0	0	111.4
460	V	26.1	Very low	28.7	Very low	128 Å²	128	124.2 Å²	124.2	78%	0.776	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-101.3	119.1	-178.6	-179.1	0	0	0	0	110.5
461	P	30.2	Very low	28.9	Very low	120 Å²	120	123.5 Å²	123.5	78%	0.779	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-87.7	145.4	168.2	34	-31.9	0	0	0	111.5
462	T	25.1	Very low	29	Very low	141 Å²	141	124.1 Å²	124.1	87%	0.865	74%	0.739	S	S	*	*			trans	-113.1	124.9	-173.1	-52.6	0	0	0	0	111.8
463	A	30.4	Very low	28.8	Very low	94 Å²	94	123.3 Å²	123.3	78%	0.777	74%	0.741	S	S	*	*			trans	-161.8	111.6	167.4	0	0	0	0	0	115.4
464	S	29.4	Very low	28.9	Very low	114 Å²	114	124.4 Å²	124.4	80%	0.797	75%	0.748	S	S	*	*			trans	39.5	95.4	139.9	-50.9	0	0	0	0	123.3
465	T	24.7	Very low	28.7	Very low	135 Å²	135	121.6 Å²	121.6	83%	0.828	75%	0.746	S	S	*	*				24.4	126.4	123	-42.1	0	0	0	0	122.3
466	T	30.1	Very low	28.6	Very low	145 Å²	145	125 Å²	125	89%	0.89	76%	0.757	S	S	*	*				-177.5	147.1	127.9	21	0	0	0	0	111.9
467	L	27.9	Very low	28.5	Very low	104 Å²	104	125.2 Å²	125.2	55%	0.545	76%	0.76	S	S	.	*			trans	-160.9	136.5	-166.8	-162.7	166.9	0	0	0	111.9	L29 H30	L29-L467 VanDerWaalsContact CD1-O 3.3Å; L29-L467 WeakPolarHBondContact CD1-O 3.3Å; L29-L467 HydrophobicContact CD2-CD2 4.32Å; H30-L467 VanDerWaalsContact CD2-CD2 3.49Å; H30-L467 WeakPolarHBondContact CD2-CD2 3.26Å
468	P	30.1	Very low	28.4	Very low	109 Å²	109	126.9 Å²	126.9	71%	0.708	76%	0.758	S	S	*	*			trans	-131.3	111.9	164.5	30.8	-11.8	0	0	0	116.8	L29	L29-P468 HydrophobicContact CD1-CB 4.22Å
469	T	30.8	Very low	28.2	Very low	87 Å²	87	128.8 Å²	128.8	53%	0.534	76%	0.764	S	S	.	*			trans	61.1	138.4	134.9	-1.5	0	0	0	0	124.7	L29	L29-T469 HydrophobicContact CD2-CG2 4.07Å; L29-T469 VanDerWaalsContact CD2-N 3.3Å
470	T	28.9	Very low	28	Very low	105 Å²	105	131 Å²	131	64%	0.644	77%	0.767	S	S	*	*			trans	-97	173.2	166.8	51.7	0	0	0	0	112.5
471	P	33.7	Very low	28.2	Very low	104 Å²	104	135.9 Å²	135.9	68%	0.675	77%	0.771	S	S	*	*				-152.8	-177.4	98	42.6	-25	0	0	0	117.5
472	D	30.7	Very low	28.1	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	76%	0.764	S	S	*	*			trans	82.4	138.4	154.8	-58.6	-31.2	0	0	0	123.8
473	I	24.7	Very low	28.2	Very low	158 Å²	158	140.8 Å²	140.8	81%	0.81	77%	0.767	S	S	*	*			trans	-145.8	138.3	-173.4	-60.3	170.9	0	0	0	109.8
474	P	28.1	Very low	28.1	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	77%	0.77	S	S	*	*			trans	-103.5	139.7	161.8	9.1	11.5	0	0	0	112.8
475	S	24	Very low	27.9	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	77%	0.771	S	S	*	*			trans	-114.7	144.1	-176.4	60.7	0	0	0	0	113.5
476	Y	27.3	Very low	28	Very low	213 Å²	213	146.5 Å²	146.5	84%	0.835	77%	0.769	S	S	*	*			trans	-135.8	111.2	170.5	-77.5	-77.7	0	0	0	114.5
477	S	27.2	Very low	27.7	Very low	113 Å²	113	149.6 Å²	149.6	79%	0.79	77%	0.77	S	S	*	*			trans	36.1	126.2	144.8	55	0	0	0	0	122
478	I	25.2	Very low	27.6	Very low	159 Å²	159	147.6 Å²	147.6	82%	0.815	77%	0.774	S	S	*	*			trans	-106.9	138.5	163.9	-63.3	168.6	0	0	0	109.3
479	E	28.2	Very low	27.3	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	79%	0.785	S	S	*	*			trans	-110	146.7	162.8	-71.8	-159.6	146.3	0	0	111.9
480	N	26.1	Very low	27	Very low	154 Å²	154	154.2 Å²	154.2	82%	0.824	79%	0.789	S	S	*	*			trans	-95.6	136.4	-177	-90.5	-69.1	0	0	0	112.6
481	R	28.7	Very low	26.9	Very low	232 Å²	232	155.8 Å²	155.8	88%	0.875	79%	0.793	S	S	*	*			trans	-140.1	108.3	152.2	-78.9	-160.8	175.2	-178.5	-0.8	113.8
482	D	29.8	Very low	26.6	Very low	118 Å²	118	156.5 Å²	156.5	63%	0.631	79%	0.791	S	S	*	*			trans	53.7	98.4	139.1	-58.2	-54.8	0	0	0	121.4	N484	D482-N484 PolarHBondContact O-N 2.92Å
483	R	25.7	Very low	26.4	Very low	245 Å²	245	154.2 Å²	154.2	93%	0.925	78%	0.779	S	S	*	*				39.6	76.6	121.4	-66.2	-178.4	171	-173.9	-1.6	116.7
484	N	29.9	Very low	26.5	Very low	155 Å²	155	150.9 Å²	150.9	83%	0.829	76%	0.763	S	S	*	*			trans	-111.1	132.9	156.7	-90	-76.2	0	0	0	111.4	D482	D482-N484 PolarHBondContact O-N 2.92Å
485	F	24.9	Very low	26.8	Very low	189 Å²	189	150.4 Å²	150.4	83%	0.829	76%	0.759	S	S	*	*			trans	-63.8	133.9	172.5	-90.8	-101.8	0	0	0	110	K487	F485-K487 VanDerWaalsContact C-N 3.26Å; F485-K487 PolarHBondContact O-N 3.17Å
486	P	25.4	Very low	27.3	Very low	119 Å²	119	152.6 Å²	152.6	77%	0.773	76%	0.761	S	S	*	*			trans	-75	71.6	-176.9	30.6	-36.1	0	0	0	112.9	G488	P486-G488 PolarHBondContact O-N 2.89Å
487	K	24.3	Very low	27.8	Very low	211 Å²	211	147.9 Å²	147.9	92%	0.917	75%	0.754	S	S	*	*			trans	-75.7	61.6	164.9	-74.7	-178.4	177	173.4	0	110.5	F485	F485-K487 VanDerWaalsContact C-N 3.26Å; F485-K487 PolarHBondContact O-N 3.17Å
488	G	26.1	Very low	28.9	Very low	62 Å²	62	143.9 Å²	143.9	64%	0.639	73%	0.726	S	S	*	*			trans	177.7	77	-177	0	0	0	0	0	112.4	P486 S490	P486-G488 PolarHBondContact O-N 2.89Å; G488-S490 PolarHBondContact O-N 3.24Å
489	R	22.8	Very low	30.5	Very low	246 Å²	246	139.4 Å²	139.4	93%	0.928	70%	0.704	S	S	*	*			trans	-75.8	108	164.9	-78.4	-171.2	172.7	-169.6	-3.1	108.2
490	S	26.2	Very low	32.4	Very low	89 Å²	89	130.5 Å²	130.5	62%	0.622	66%	0.662	S	S	*	*			trans	-62.9	138.3	-176.7	-165.3	0	0	0	0	112.5	G488 N492	G488-S490 PolarHBondContact O-N 3.24Å; S490-N492 VanDerWaalsContact C-N 3.33Å; S490-N492 PolarHBondContact O-N 3.12Å; S490-N492 PolarHBondContact OG-ND2 3.17Å; S490-N492 PolarHBondContact OG-OD1 3.04Å; S490-N492 VanDerWaalsContact OG-OD1 3.09Å
491	L	26.5	Very low	34.7	Very low	137 Å²	137	124.8 Å²	124.8	72%	0.717	64%	0.635	S	S	*	*			trans	-93.3	60.1	176.9	-78.3	162	0	0	0	110.1
492	N	26	Very low	37	Very low	120 Å²	120	115.3 Å²	115.3	64%	0.642	60%	0.602	S	S	*	*			trans	-110.9	-0.1	-171.7	-79.4	14.9	0	0	0	115.4	S490	S490-N492 VanDerWaalsContact C-N 3.33Å; S490-N492 PolarHBondContact O-N 3.12Å; S490-N492 PolarHBondContact OG-ND2 3.17Å; S490-N492 PolarHBondContact OG-OD1 3.04Å; S490-N492 VanDerWaalsContact OG-OD1 3.09Å
493	N	26.3	Very low	39.5	Very low	105 Å²	105	111.2 Å²	111.2	56%	0.561	58%	0.58	S	S	*	*			trans	-117.8	29.1	-175.6	-69.1	13	0	0	0	113.4	R42	R42-N493 PolarHBondContact NH1-O 2.65Å
494	D	28.5	Very low	42.1	Very low	88 Å²	88	100.9 Å²	100.9	47%	0.471	54%	0.543	S	S	.	.	S	Bend	trans	-79.2	141.3	172.3	-68.9	-12.6	0	0	0	109.5	R42	R42-D494 IonicContact CZ-OD1 3.37Å; R42-D494 IonicContact NH1-OD1 2.74Å; R42-D494 PolarHBondContact NH1-OD1 3.44Å; R42-D494 IonicContact NH2-OD1 3.33Å; R42-D494 PolarHBondContact NH2-OD1 3Å
495	P	33	Very low	44.6	Very low	105 Å²	105	94.7 Å²	94.7	68%	0.682	51%	0.508	S	S	*	.			trans	-63.6	148.1	-172.8	27.6	-35.7	0	0	0	111.4	V497	P495-V497 PolarHBondContact O-N 3.1Å
496	I	34.2	Very low	47.5	Very low	151 Å²	151	86 Å²	86	77%	0.774	47%	0.47	S	S	*	.			trans	-41.7	92.9	-165.8	-54.8	173.9	0	0	0	112	S498	I496-S498 PolarHBondContact O-N 3.4Å
497	V	39.2	Very low	50.4	Low	115 Å²	115	81 Å²	81	70%	0.697	44%	0.435	S	S	*	.			trans	-67.8	109.1	172.6	178.9	0	0	0	0	105.8	P495 N499	P495-V497 PolarHBondContact O-N 3.1Å; V497-N499 PolarHBondContact O-N 3.34Å
498	S	49.1	Very low	53.2	Low	28 Å²	28	70.9 Å²	70.9	20%	0.196	39%	0.392	C	S	.	.			trans	-44.1	126.9	-173.4	60.7	0	0	0	0	111.1	I496 I500 R505	I496-S498 PolarHBondContact O-N 3.4Å; S498-I500 PolarHBondContact O-N 3.42Å; S498-R505 PolarHBondContact OG-NH1 3.31Å
499	N	60.4	Low	56.1	Low	65 Å²	65	68 Å²	68	35%	0.348	36%	0.361	S	S	.	.	S	Bend	trans	-63.7	19.7	-173.1	-73.5	-55.9	0	0	0	115.6	V497 K841	V497-N499 PolarHBondContact O-N 3.34Å; N499-K841 VanDerWaalsContact CG-NZ 3.3Å; N499-K841 PolarHBondContact OD1-NZ 2.96Å
500	I	67.1	Low	59.3	Low	6 Å²	6	56.7 Å²	56.7	3%	0.031	32%	0.319	C	S	.	.	S	Bend	trans	-124.7	128.3	-170.8	-50	163.1	0	0	0	105.9	I116 H119 S498 D504 R505 V838	I116-I500 HydrophobicContact CB-CD1 4.29Å; I116-I500 HydrophobicContact CD1-CD1 3.91Å; I116-I500 HydrophobicContact CG2-CD1 3.91Å; I116-I500 HydrophobicContact CG2-CG2 4.4Å; H119-I500 HydrophobicContact CB-CD1 3.67Å; H119-I500 VanDerWaalsContact CD2-CD1 3.43Å; H119-I500 WeakPolarHBondContact CD2-CD1 3.48Å; H119-I500 VanDerWaalsContact CG-CD1 3.43Å; S498-I500 PolarHBondContact O-N 3.42Å; I500-D504 HydrophobicContact CG2-CB 3.68Å; I500-R505 HydrophobicContact CB-CG 3.89Å; I500-R505 HydrophobicContact CG2-CG 3.67Å; I500-R505 PolarHBondContact O-NH1 2.99Å; I500-V838 HydrophobicContact CG2-CG1 4.15Å
501	S	74.9	Confident	62.3	Low	35 Å²	35	54 Å²	54	25%	0.245	30%	0.295	C	S	.	.			trans	-59.2	156	-178.2	74.9	0	0	0	0	112.2	E503 D504 R505	S501-E503 WeakPolarHBondContact CB-OE2 3.21Å; S501-E503 PolarHBondContact O-N 2.89Å; S501-E503 VanDerWaalsContact O-N 3.17Å; S501-D504 PolarHBondContact O-N 2.83Å; S501-D504 VanDerWaalsContact OG-CB 3.24Å; S501-D504 WeakPolarHBondContact OG-CB 3.38Å; S501-D504 PolarHBondContact OG-N 2.9Å; S501-D504 PolarHBondContact OG-OD2 2.98Å; S501-R505 WeakPolarHBondContact O-CB 3.46Å; S501-R505 VanDerWaalsContact O-CG 3.28Å; S501-R505 WeakPolarHBondContact O-CG 3.49Å; S501-R505 PolarHBondContact O-N 3.14Å
502	V	77.7	Confident	65.2	Low	32 Å²	32	50.1 Å²	50.1	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-35	178.6	-175.3	0	0	0	0	110.2	A190 L506	A190-V502 HydrophobicContact CB-CG1 3.34Å; V502-L506 PolarHBondContact O-N 3.07Å; V502-L506 VanDerWaalsContact O-N 3.15Å
503	E	81.7	Confident	68.2	Low	33 Å²	33	44.5 Å²	44.5	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-73.4	-45.3	-179.3	-57.3	74.3	-168.8	0	0	112.2	S501 L506 Y507 A533 H536	S501-E503 WeakPolarHBondContact CB-OE2 3.21Å; S501-E503 PolarHBondContact O-N 2.89Å; S501-E503 VanDerWaalsContact O-N 3.17Å; E503-L506 PolarHBondContact O-N 3.26Å; E503-Y507 WeakPolarHBondContact O-CB 3.39Å; E503-Y507 PolarHBondContact O-N 2.74Å; E503-A533 HydrophobicContact CB-CB 4.19Å; E503-A533 HydrophobicContact CG-CB 3.96Å; E503-H536 HydrophobicContact CB-CB 3.87Å; E503-H536 WeakPolarHBondContact CB-ND1 3.47Å; E503-H536 HydrophobicContact CG-CB 3.9Å
504	D	80	Confident	71.4	Confident	27 Å²	27	39.6 Å²	39.6	14%	0.144	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-34.8	175.9	-69.2	-45.8	0	0	0	112.3	I500 S501 G508 K872	I500-D504 HydrophobicContact CG2-CB 3.68Å; S501-D504 PolarHBondContact O-N 2.83Å; S501-D504 VanDerWaalsContact OG-CB 3.24Å; S501-D504 WeakPolarHBondContact OG-CB 3.38Å; S501-D504 PolarHBondContact OG-N 2.9Å; S501-D504 PolarHBondContact OG-OD2 2.98Å; D504-G508 PolarHBondContact O-N 3.16Å; D504-K872 IonicContact OD1-NZ 2.66Å; D504-K872 PolarHBondContact OD1-NZ 2.96Å
505	R	82.6	Confident	74.3	Confident	25 Å²	25	38.7 Å²	38.7	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-53.3	170.4	-73.3	-158.5	-54.4	-92.1	12.7	110.5	I116 M124 A190 S498 I500 S501 G508 I509	I116-R505 HydrophobicContact CD1-CG 3.89Å; M124-R505 HydrophobicContact SD-CB 3.7Å; M124-R505 HydrophobicContact SD-CG 4.43Å; A190-R505 VanDerWaalsContact O-CZ 3.3Å; A190-R505 PolarHBondContact O-NE 2.79Å; A190-R505 PolarHBondContact O-NH2 3.06Å; S498-R505 PolarHBondContact OG-NH1 3.31Å; I500-R505 HydrophobicContact CB-CG 3.89Å; I500-R505 HydrophobicContact CG2-CG 3.67Å; I500-R505 PolarHBondContact O-NH1 2.99Å; S501-R505 WeakPolarHBondContact O-CB 3.46Å; S501-R505 VanDerWaalsContact O-CG 3.28Å; S501-R505 WeakPolarHBondContact O-CG 3.49Å; S501-R505 PolarHBondContact O-N 3.14Å; R505-G508 PolarHBondContact O-N 3.39Å; R505-I509 WeakPolarHBondContact O-CG1 3.48Å; R505-I509 PolarHBondContact O-N 3.09Å
506	L	86	Confident	77.1	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-42.7	178.1	-79.1	176.8	0	0	0	113.2	M124 L143 I188 A190 V502 E503 G508 I509 W510 A533	M124-L506 HydrophobicContact CE-CD2 4.42Å; L143-L506 HydrophobicContact CD2-CD2 4.39Å; I188-L506 HydrophobicContact CB-CD2 4.24Å; I188-L506 HydrophobicContact CG2-CD2 3.46Å; I188-L506 VanDerWaalsContact CG2-CD2 3.46Å; A190-L506 HydrophobicContact CB-CD1 3.71Å; A190-L506 HydrophobicContact CB-CD2 4.05Å; A190-L506 HydrophobicContact CB-CG 3.66Å; V502-L506 PolarHBondContact O-N 3.07Å; V502-L506 VanDerWaalsContact O-N 3.15Å; E503-L506 PolarHBondContact O-N 3.26Å; L506-G508 VanDerWaalsContact C-N 3.33Å; L506-G508 PolarHBondContact O-N 3.04Å; L506-I509 PolarHBondContact O-N 2.84Å; L506-W510 WeakPolarHBondContact O-CB 3.47Å; L506-W510 PolarHBondContact O-N 2.93Å; L506-A533 HydrophobicContact CB-CB 4.26Å; L506-A533 HydrophobicContact CD1-CB 3.39Å; L506-A533 HydrophobicContact CG-CB 4.4Å
507	Y	85.4	Confident	79.9	Confident	13 Å²	13	32.5 Å²	32.5	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-43.4	174.3	178.1	-96.2	0	0	0	111.7	E503 I509 W510 R511 P537 K872 L876	E503-Y507 WeakPolarHBondContact O-CB 3.39Å; E503-Y507 PolarHBondContact O-N 2.74Å; Y507-I509 PolarHBondContact O-N 3.01Å; Y507-W510 PolarHBondContact O-N 3.36Å; Y507-R511 HydrophobicContact CD1-CG 3.99Å; Y507-R511 HydrophobicContact CD2-CG 4.36Å; Y507-R511 HydrophobicContact CE1-CG 3.56Å; Y507-R511 HydrophobicContact CE2-CG 3.96Å; Y507-R511 HydrophobicContact CG-CG 4.38Å; Y507-R511 VanDerWaalsContact O-CB 3.25Å; Y507-R511 WeakPolarHBondContact O-CB 3.36Å; Y507-R511 WeakPolarHBondContact O-CG 3.46Å; Y507-R511 PolarHBondContact O-N 3.46Å; Y507-P537 HydrophobicContact CD2-CG 3.85Å; Y507-P537 HydrophobicContact CE2-CG 4.32Å; Y507-K872 HydrophobicContact CD1-CG 4.3Å; Y507-K872 HydrophobicContact CD2-CG 4.47Å; Y507-K872 HydrophobicContact CE1-CD 4.21Å; Y507-K872 HydrophobicContact CE1-CG 3.62Å; Y507-K872 HydrophobicContact CE2-CG 3.82Å; Y507-K872 WeakPolarHBondContact OH-CG 3.35Å; Y507-K872 PolarHBondContact OH-O 3.32Å; Y507-L876 HydrophobicContact CD2-CD2 4.37Å; Y507-L876 HydrophobicContact CE2-CB 4.23Å; Y507-L876 HydrophobicContact CE2-CD2 4.48Å
508	G	83.5	Confident	82.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-43.6	178.7	0	0	0	0	0	113.4	P117 D504 R505 L506 R511 Q512	P117-G508 WeakPolarHBondContact CD-O 3.23Å; P117-G508 WeakPolarHBondContact CG-O 3.33Å; D504-G508 PolarHBondContact O-N 3.16Å; R505-G508 PolarHBondContact O-N 3.39Å; L506-G508 VanDerWaalsContact C-N 3.33Å; L506-G508 PolarHBondContact O-N 3.04Å; G508-R511 PolarHBondContact O-N 2.84Å; G508-Q512 PolarHBondContact O-N 2.93Å
509	I	88	Confident	84.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.2	-42.5	176.2	-61.5	-51.8	0	0	0	111.7	I114 I116 M124 V126 I188 R505 L506 Y507 R511 Q512 L513	I114-I509 HydrophobicContact CB-CD1 3.92Å; I114-I509 HydrophobicContact CG2-CD1 3.64Å; I114-I509 WeakPolarHBondContact O-CD1 3.2Å; I116-I509 HydrophobicContact CG1-CD1 4.26Å; M124-I509 HydrophobicContact CB-CD1 4.01Å; M124-I509 HydrophobicContact CB-CG1 4.06Å; M124-I509 HydrophobicContact CE-CG1 4.06Å; M124-I509 HydrophobicContact CG-CD1 4.34Å; M124-I509 HydrophobicContact CG-CG1 4.19Å; M124-I509 HydrophobicContact SD-CD1 4.14Å; M124-I509 HydrophobicContact SD-CG1 3.41Å; M124-I509 WeakPolarHBondContact SD-CG1 3.26Å; V126-I509 HydrophobicContact CG2-CG2 3.84Å; I188-I509 HydrophobicContact CD1-CG2 4.23Å; I188-I509 HydrophobicContact CG2-CG2 4.21Å; R505-I509 WeakPolarHBondContact O-CG1 3.48Å; R505-I509 PolarHBondContact O-N 3.09Å; L506-I509 PolarHBondContact O-N 2.84Å; Y507-I509 PolarHBondContact O-N 3.01Å; I509-R511 VanDerWaalsContact C-N 3.28Å; I509-R511 PolarHBondContact O-N 2.67Å; I509-Q512 PolarHBondContact O-N 3.3Å; I509-Q512 VanDerWaalsContact O-N 3.12Å; I509-L513 HydrophobicContact CG2-CD1 3.68Å; I509-L513 HydrophobicContact CG2-CG 4.06Å; I509-L513 WeakPolarHBondContact O-CG 3.31Å; I509-L513 PolarHBondContact O-N 3.43Å
510	W	89.7	Confident	86.3	Confident	9 Å²	9	29.4 Å²	29.4	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-53.4	-48.2	172.4	174.9	-77.8	0	0	0	111.2	I141 L506 Y507 Q512 L513 I514 V524 F534 L876 E879 L880 V884	I141-W510 HydrophobicContact CD1-CZ3 4.26Å; L506-W510 WeakPolarHBondContact O-CB 3.47Å; L506-W510 PolarHBondContact O-N 2.93Å; Y507-W510 PolarHBondContact O-N 3.36Å; W510-Q512 PolarHBondContact O-N 2.94Å; W510-Q512 VanDerWaalsContact O-N 3.17Å; W510-L513 PolarHBondContact O-N 2.96Å; W510-I514 HydrophobicContact CD2-CD1 4.15Å; W510-I514 HydrophobicContact CD2-CG1 3.71Å; W510-I514 VanDerWaalsContact CE2-CG1 3.48Å; W510-I514 HydrophobicContact CE3-CD1 4.22Å; W510-I514 HydrophobicContact CE3-CG1 4.28Å; W510-I514 HydrophobicContact CG-CG1 4Å; W510-I514 HydrophobicContact CH2-CD1 4.03Å; W510-I514 HydrophobicContact CH2-CG1 4.39Å; W510-I514 HydrophobicContact CZ2-CD1 3.96Å; W510-I514 HydrophobicContact CZ2-CG1 3.85Å; W510-I514 HydrophobicContact CZ3-CD1 4.17Å; W510-I514 WeakPolarHBondContact O-CG1 3.44Å; W510-I514 PolarHBondContact O-N 3.11Å; W510-V524 HydrophobicContact CH2-CG2 3.82Å; W510-V524 HydrophobicContact CZ3-CG2 3.87Å; W510-F534 HydrophobicContact CH2-CE2 4.02Å; W510-F534 HydrophobicContact CZ3-CD2 4.47Å; W510-F534 HydrophobicContact CZ3-CE2 4Å; W510-L876 HydrophobicContact CD2-CD1 4.3Å; W510-L876 HydrophobicContact CG-CD1 4.32Å; W510-L876 HydrophobicContact CZ2-CD1 4.2Å; W510-E879 PolarHBondContact NE1-OE2 3.36Å; W510-L880 HydrophobicContact CH2-CD2 4.01Å; W510-L880 HydrophobicContact CZ2-CD2 3.8Å; W510-V884 HydrophobicContact CH2-CG2 3.93Å; W510-V884 HydrophobicContact CZ2-CG2 4.27Å
511	R	88.2	Confident	87.6	Confident	32 Å²	32	33 Å²	33	12%	0.121	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-17.9	179.6	-80.1	-66.9	-50.6	102.8	37.8	115	Y507 G508 I509 R875 E879	Y507-R511 HydrophobicContact CD1-CG 3.99Å; Y507-R511 HydrophobicContact CD2-CG 4.36Å; Y507-R511 HydrophobicContact CE1-CG 3.56Å; Y507-R511 HydrophobicContact CE2-CG 3.96Å; Y507-R511 HydrophobicContact CG-CG 4.38Å; Y507-R511 VanDerWaalsContact O-CB 3.25Å; Y507-R511 WeakPolarHBondContact O-CB 3.36Å; Y507-R511 WeakPolarHBondContact O-CG 3.46Å; Y507-R511 PolarHBondContact O-N 3.46Å; G508-R511 PolarHBondContact O-N 2.84Å; I509-R511 VanDerWaalsContact C-N 3.28Å; I509-R511 PolarHBondContact O-N 2.67Å; R511-R875 VanDerWaalsContact CZ-CZ 3.49Å; R511-R875 VanDerWaalsContact CZ-NE 3.3Å; R511-E879 IonicContact CZ-OE1 3.15Å; R511-E879 IonicContact NE-OE1 2.61Å; R511-E879 IonicContact NH1-OE1 3.54Å; R511-E879 PolarHBondContact NH1-OE1 3.08Å
512	Q	87	Confident	88.7	Confident	56 Å²	56	31.4 Å²	31.4	26%	0.262	16%	0.164	S	C	.	.	H	α-helix	trans	-96.1	-42.2	169.9	-69	-170.4	20.6	0	0	112.9	I114 P115 P117 G508 I509 W510 H516	I114-Q512 HydrophobicContact CG2-CB 4.18Å; P115-Q512 PolarHBondContact O-NE2 3.34Å; P115-Q512 PolarHBondContact O-OE1 2.9Å; P117-Q512 HydrophobicContact CG-CG 4.22Å; G508-Q512 PolarHBondContact O-N 2.93Å; I509-Q512 PolarHBondContact O-N 3.3Å; I509-Q512 VanDerWaalsContact O-N 3.12Å; W510-Q512 PolarHBondContact O-N 2.94Å; W510-Q512 VanDerWaalsContact O-N 3.17Å; Q512-H516 PolarHBondContact O-CD2 3.35Å
513	L	90.5	Very high	89.6	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-54.8	-178.2	-75.7	175.2	0	0	0	112.8	I114 V126 F132 F133 I188 I509 W510 H516 C517	I114-L513 HydrophobicContact CD1-CD2 3.4Å; I114-L513 VanDerWaalsContact CD1-CD2 3.4Å; I114-L513 HydrophobicContact CD1-CG 3.99Å; V126-L513 HydrophobicContact CG1-CD1 4.42Å; F132-L513 HydrophobicContact CE1-CD2 4.49Å; F133-L513 HydrophobicContact CE1-CD2 3.56Å; F133-L513 HydrophobicContact CZ-CD2 3.54Å; I188-L513 HydrophobicContact CD1-CD1 3.37Å; I188-L513 HydrophobicContact CG1-CD1 4.19Å; I509-L513 HydrophobicContact CG2-CD1 3.68Å; I509-L513 HydrophobicContact CG2-CG 4.06Å; I509-L513 WeakPolarHBondContact O-CG 3.31Å; I509-L513 PolarHBondContact O-N 3.43Å; W510-L513 PolarHBondContact O-N 2.96Å; L513-H516 PolarHBondContact O-N 3.26Å; L513-C517 PolarHBondContact O-N 2.9Å; L513-C517 PolarHBondContact O-SG 3.04Å; L513-C517 VanDerWaalsContact O-SG 3.36Å
514	I	91.7	Very high	90.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-44	-168	-58.1	-62.4	0	0	0	112.8	I141 W510 H516 C517 I522 R883	I141-I514 HydrophobicContact CD1-CD1 3.36Å; W510-I514 HydrophobicContact CD2-CD1 4.15Å; W510-I514 HydrophobicContact CD2-CG1 3.71Å; W510-I514 VanDerWaalsContact CE2-CG1 3.48Å; W510-I514 HydrophobicContact CE3-CD1 4.22Å; W510-I514 HydrophobicContact CE3-CG1 4.28Å; W510-I514 HydrophobicContact CG-CG1 4Å; W510-I514 HydrophobicContact CH2-CD1 4.03Å; W510-I514 HydrophobicContact CH2-CG1 4.39Å; W510-I514 HydrophobicContact CZ2-CD1 3.96Å; W510-I514 HydrophobicContact CZ2-CG1 3.85Å; W510-I514 HydrophobicContact CZ3-CD1 4.17Å; W510-I514 WeakPolarHBondContact O-CG1 3.44Å; W510-I514 PolarHBondContact O-N 3.11Å; I514-H516 PolarHBondContact O-N 2.99Å; I514-H516 VanDerWaalsContact O-N 3.15Å; I514-C517 PolarHBondContact O-N 3.42Å; I514-I522 HydrophobicContact CD1-CD1 3.9Å; I514-I522 HydrophobicContact CG2-CD1 4.13Å; I514-R883 PolarHBondContact O-NH1 3.24Å; I514-R883 PolarHBondContact O-NH2 3.01Å
515	P	89.9	Confident	91.2	Very high	69 Å²	69	27 Å²	27	45%	0.448	14%	0.141	S	C	.	.	H	α-helix	trans	-61.3	-20.4	176.8	-25.4	36.5	0	0	0	115.1
516	H	91.3	Very high	91.8	Very high	118 Å²	118	25.9 Å²	25.9	55%	0.546	14%	0.136	S	C	.	.	H	α-helix	trans	-97.2	-15.8	-179	-65	-42.6	0	0	0	114.2	F133 Q512 L513 I514	F133-H516 HydrophobicContact CD1-CB 3.96Å; F133-H516 HydrophobicContact CE1-CB 4.35Å; Q512-H516 PolarHBondContact O-CD2 3.35Å; L513-H516 PolarHBondContact O-N 3.26Å; I514-H516 PolarHBondContact O-N 2.99Å; I514-H516 VanDerWaalsContact O-N 3.15Å
517	C	93.7	Very high	92	Very high	9 Å²	9	26 Å²	26	6%	0.061	14%	0.136	C	C	.	.			trans	-69.5	134	174.4	-62.7	0	0	0	0	111.8	F132 I139 L513 I514 R883	F132-C517 WeakPolarHBondContact CE1-SG 3.23Å; I139-C517 HydrophobicContact CD1-CB 3.89Å; L513-C517 PolarHBondContact O-N 2.9Å; L513-C517 PolarHBondContact O-SG 3.04Å; L513-C517 VanDerWaalsContact O-SG 3.36Å; I514-C517 PolarHBondContact O-N 3.42Å; C517-R883 PolarHBondContact O-NH2 3.02Å
518	A	95	Very high	91.9	Very high	44 Å²	44	28.5 Å²	28.5	36%	0.364	15%	0.149	S	C	.	.			trans	-79.4	-12.4	175	0	0	0	0	0	114.8	F133 H135	F133-A518 VanDerWaalsContact O-CB 3.31Å; F133-A518 WeakPolarHBondContact O-CB 3.28Å; F133-A518 PolarHBondContact O-N 2.97Å; H135-A518 CarbonylContact O-C 3.53Å
519	S	95.5	Very high	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-82.5	139	-177.2	-177.2	0	0	0	0	113.6	H135 G137 H521 R883	H135-S519 WeakPolarHBondContact O-CB 3.42Å; H135-S519 PolarHBondContact O-N 3.04Å; G137-S519 WeakPolarHBondContact O-CB 3.29Å; G137-S519 PolarHBondContact O-OG 3.33Å; S519-H521 PolarHBondContact OG-N 3.07Å; S519-R883 PolarHBondContact O-NE 3.37Å; S519-R883 PolarHBondContact O-NH2 2.71Å
520	N	92.9	Very high	91.6	Very high	99 Å²	99	31 Å²	31	53%	0.529	16%	0.16	S	C	.	.	S	Bend	trans	-99.6	10	168.4	-69.9	-25.6	0	0	0	113.1	K885	N520-K885 WeakPolarHBondContact O-CE 3.41Å
521	H	94.2	Very high	91.7	Very high	82 Å²	82	30.6 Å²	30.6	38%	0.38	16%	0.159	S	C	.	.			trans	-122	69.4	-175.2	-64.2	-83.8	0	0	0	109.8	P138 I139 S519 L1002	P138-H521 WeakPolarHBondContact CA-O 3.27Å; P138-H521 HydrophobicContact CB-CB 4.27Å; P138-H521 HydrophobicContact CG-CB 4.36Å; I139-H521 PolarHBondContact N-O 2.98Å; S519-H521 PolarHBondContact OG-N 3.07Å; H521-L1002 HydrophobicContact CB-CD2 3.8Å
522	I	97.1	Very high	91.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.9	-176	-49.9	-171.6	0	0	0	109.8	I139 I141 I514 R883 V884 K885	I139-I522 HydrophobicContact CD1-CD1 4.23Å; I139-I522 HydrophobicContact CD1-CG1 3.98Å; I139-I522 HydrophobicContact CG1-CB 4.28Å; I139-I522 HydrophobicContact CG1-CG1 3.93Å; I139-I522 HydrophobicContact CG1-CG2 4.24Å; I141-I522 HydrophobicContact CD1-CG2 3.79Å; I141-I522 HydrophobicContact CG1-CG2 4.26Å; I514-I522 HydrophobicContact CD1-CD1 3.9Å; I514-I522 HydrophobicContact CG2-CD1 4.13Å; I522-R883 WeakPolarHBondContact CB-O 3.28Å; I522-R883 HydrophobicContact CD1-CB 3.93Å; I522-R883 HydrophobicContact CG1-CB 4.18Å; I522-R883 PolarHBondContact N-O 3.38Å; I522-V884 HydrophobicContact CB-CG2 4.12Å; I522-V884 HydrophobicContact CG2-CG2 4.13Å; I522-V884 CarbonylContact O-C 3.58Å; I522-V884 WeakPolarHBondContact O-CA 3.47Å; I522-K885 PolarHBondContact O-N 2.77Å
523	L	97.9	Very high	91.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.8	178.2	-56.9	167.5	0	0	0	107.5	P138 I139 I140 I141 Y183 A886 F998 L1002	P138-L523 HydrophobicContact CB-CD1 4.24Å; I139-L523 WeakPolarHBondContact O-CB 3.47Å; I139-L523 PolarHBondContact O-N 2.9Å; I140-L523 CarbonylContact C-O 3.56Å; I140-L523 WeakPolarHBondContact CA-O 3.39Å; I140-L523 HydrophobicContact CG1-CB 4.13Å; I140-L523 HydrophobicContact CG1-CD1 4.03Å; I141-L523 PolarHBondContact N-O 3.32Å; Y183-L523 HydrophobicContact CD2-CD1 4.12Å; Y183-L523 HydrophobicContact CE2-CD1 3.9Å; L523-A886 HydrophobicContact CD2-CB 3.9Å; L523-F998 HydrophobicContact CB-CD1 4.11Å; L523-F998 HydrophobicContact CB-CD2 4.2Å; L523-F998 HydrophobicContact CB-CE1 3.98Å; L523-F998 HydrophobicContact CB-CE2 4.09Å; L523-F998 HydrophobicContact CB-CG 4.2Å; L523-F998 HydrophobicContact CB-CZ 3.98Å; L523-F998 HydrophobicContact CD1-CB 3.8Å; L523-F998 HydrophobicContact CD1-CD1 4.44Å; L523-F998 HydrophobicContact CD1-CD2 3.88Å; L523-F998 HydrophobicContact CD1-CG 3.82Å; L523-F998 HydrophobicContact CD2-CB 4.01Å; L523-F998 HydrophobicContact CD2-CD1 3.82Å; L523-F998 HydrophobicContact CD2-CE1 4.42Å; L523-F998 HydrophobicContact CD2-CG 3.97Å; L523-F998 HydrophobicContact CG-CB 4.45Å; L523-F998 HydrophobicContact CG-CD1 4.34Å; L523-F998 HydrophobicContact CG-CD2 4.49Å; L523-F998 HydrophobicContact CG-CG 4.22Å; L523-L1002 HydrophobicContact CD1-CD1 4.18Å; L523-L1002 HydrophobicContact CD2-CD2 4.31Å; L523-L1002 HydrophobicContact CD2-CG 4.29Å
524	V	97.5	Very high	91.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.1	179.5	-178.2	0	0	0	0	109.2	L143 W510 A526 F534 V884 A886 V887 V888	L143-V524 HydrophobicContact CD1-CG1 3.87Å; L143-V524 HydrophobicContact CG-CG1 4.31Å; W510-V524 HydrophobicContact CH2-CG2 3.82Å; W510-V524 HydrophobicContact CZ3-CG2 3.87Å; V524-A526 HydrophobicContact CG1-CB 4.46Å; V524-F534 HydrophobicContact CG1-CD2 4.24Å; V524-F534 HydrophobicContact CG1-CE2 4Å; V524-F534 HydrophobicContact CG1-CZ 4.31Å; V524-F534 HydrophobicContact CG2-CE2 4.18Å; V524-F534 HydrophobicContact CG2-CZ 4.4Å; V524-V884 HydrophobicContact CG2-CG1 4.02Å; V524-V884 HydrophobicContact CG2-CG2 4.19Å; V524-A886 PolarHBondContact N-O 3.28Å; V524-V887 HydrophobicContact CB-CG1 4.19Å; V524-V887 HydrophobicContact CB-CG2 4.25Å; V524-V887 HydrophobicContact CG1-CG1 4.25Å; V524-V887 CarbonylContact O-C 3.26Å; V524-V887 WeakPolarHBondContact O-CA 3.32Å; V524-V888 PolarHBondContact O-N 3.33Å
525	W	97	Very high	91.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.3	163.6	-178.5	-2	0	0	0	107.6	I141 L142 L143 W154 L174 V888 T890 P987 L991 I994 F998	I141-W525 PolarHBondContact O-N 2.98Å; L142-W525 CarbonylContact C-O 3.53Å; L142-W525 VanDerWaalsContact CA-O 3.32Å; L142-W525 WeakPolarHBondContact CA-O 3.48Å; L142-W525 HydrophobicContact CD1-CB 4.21Å; L142-W525 HydrophobicContact CD1-CD2 4.12Å; L142-W525 HydrophobicContact CD1-CG 3.93Å; L143-W525 PolarHBondContact N-O 3.47Å; W154-W525 HydrophobicContact CH2-CD2 4.38Å; W154-W525 AromaticContact CH2-CE2 3.96Å; W154-W525 HydrophobicContact CH2-CE3 4.47Å; W154-W525 AromaticContact CH2-CH2 3.76Å; W154-W525 HydrophobicContact CH2-CH2 3.76Å; W154-W525 AromaticContact CH2-CZ2 3.63Å; W154-W525 HydrophobicContact CH2-CZ2 3.63Å; W154-W525 HydrophobicContact CH2-CZ3 4.2Å; W154-W525 AromaticContact CZ2-CH2 3.63Å; W154-W525 HydrophobicContact CZ2-CH2 3.63Å; W154-W525 AromaticContact CZ2-CZ2 3.94Å; W154-W525 HydrophobicContact CZ2-CZ2 3.94Å; W154-W525 HydrophobicContact CZ2-CZ3 4.1Å; W154-W525 HydrophobicContact CZ3-CZ2 4.49Å; L174-W525 HydrophobicContact CD1-CE3 4.18Å; L174-W525 HydrophobicContact CD1-CZ3 3.86Å; L174-W525 HydrophobicContact CD2-CE3 3.92Å; L174-W525 HydrophobicContact CD2-CZ3 3.71Å; L174-W525 HydrophobicContact CG-CZ3 4.29Å; W525-V888 CarbonylContact C-O 3.54Å; W525-V888 WeakPolarHBondContact CA-O 3.25Å; W525-T890 HydrophobicContact CZ2-CG2 4.13Å; W525-T890 VanDerWaalsContact NE1-CG2 3.29Å; W525-T890 PolarHBondContact NE1-OG1 3.15Å; W525-P987 HydrophobicContact CH2-CB 4.06Å; W525-P987 HydrophobicContact CZ2-CB 3.74Å; W525-L991 HydrophobicContact CH2-CD1 4.18Å; W525-L991 HydrophobicContact CZ3-CD1 3.92Å; W525-I994 HydrophobicContact CD2-CD1 3.79Å; W525-I994 HydrophobicContact CE3-CD1 4.03Å; W525-I994 HydrophobicContact CE3-CG2 4.24Å; W525-I994 HydrophobicContact CG-CD1 4.44Å; W525-I994 HydrophobicContact CH2-CD1 3.8Å; W525-I994 HydrophobicContact CZ2-CD1 3.54Å; W525-I994 HydrophobicContact CZ3-CD1 4.02Å; W525-F998 HydrophobicContact CB-CZ 4.37Å
526	A	94.8	Very high	91.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.1	177.4	0	0	0	0	0	111.3	L143 V524 A531 V888 F889 T890	L143-A526 HydrophobicContact CB-CB 4.2Å; L143-A526 HydrophobicContact CD1-CB 4.45Å; V524-A526 HydrophobicContact CG1-CB 4.46Å; A526-A531 HydrophobicContact CB-CB 3.94Å; A526-V888 PolarHBondContact N-O 3.02Å; A526-F889 HydrophobicContact CB-CD1 4.04Å; A526-F889 HydrophobicContact CB-CE1 4.23Å; A526-F889 WeakPolarHBondContact O-CA 3.44Å; A526-T890 PolarHBondContact O-N 3.21Å
527	H	90.8	Very high	91.3	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.6	-174	-176.1	46	0	0	0	111.8	L143 G145 W154 Q529 G530 T890	L143-H527 PolarHBondContact O-N 2.73Å; G145-H527 PolarHBondContact N-O 2.93Å; G145-H527 VanDerWaalsContact N-O 3.07Å; W154-H527 HydrophobicContact CZ3-CB 4.41Å; W154-H527 AromaticContact CZ3-CD2 3.96Å; H527-Q529 PolarHBondContact O-N 2.97Å; H527-G530 PolarHBondContact O-N 2.75Å; H527-T890 WeakPolarHBondContact CB-OG1 3.39Å; H527-T890 PolarHBondContact ND1-O 3.36Å; H527-T890 VanDerWaalsContact ND1-O 3.1Å; H527-T890 PolarHBondContact ND1-OG1 3.4Å
528	Q	83.6	Confident	91.3	Very high	67 Å²	67	20.5 Å²	20.5	31%	0.313	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	-121.1	-179.3	-67.6	178.3	-15.6	0	0	111.8	G530 A531 T890 D891	Q528-G530 PolarHBondContact O-N 3.33Å; Q528-A531 VanDerWaalsContact O-CB 3.27Å; Q528-A531 WeakPolarHBondContact O-CB 3.45Å; Q528-A531 PolarHBondContact O-N 2.74Å; Q528-T890 PolarHBondContact N-O 2.76Å; Q528-D891 HydrophobicContact CG-CB 3.92Å; Q528-D891 PolarHBondContact NE2-OD2 3.38Å
529	Q	78.7	Confident	90.9	Very high	52 Å²	52	20.2 Å²	20.2	24%	0.243	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-22.9	-177.9	-54.4	176	-6	0	0	113.5	G146 H527 A531 N532 A533	G146-Q529 PolarHBondContact O-OE1 3.23Å; H527-Q529 PolarHBondContact O-N 2.97Å; Q529-A531 PolarHBondContact O-N 2.75Å; Q529-N532 PolarHBondContact O-N 3.2Å; Q529-A533 WeakPolarHBondContact O-CB 3.5Å; Q529-A533 PolarHBondContact O-N 2.96Å
530	G	87.6	Confident	90.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.6	-28.2	174.6	0	0	0	0	0	112.6	H527 Q528 F534	H527-G530 PolarHBondContact O-N 2.75Å; Q528-G530 PolarHBondContact O-N 3.33Å; G530-F534 VanDerWaalsContact O-CB 3.31Å; G530-F534 WeakPolarHBondContact O-CB 3.08Å; G530-F534 PolarHBondContact O-N 2.95Å
531	A	90	Very high	89.7	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71.8	-45.3	170.9	0	0	0	0	0	111.6	A526 Q528 Q529 A533 F534 I535 F889 S892	A526-A531 HydrophobicContact CB-CB 3.94Å; Q528-A531 VanDerWaalsContact O-CB 3.27Å; Q528-A531 WeakPolarHBondContact O-CB 3.45Å; Q528-A531 PolarHBondContact O-N 2.74Å; Q529-A531 PolarHBondContact O-N 2.75Å; A531-A533 VanDerWaalsContact C-N 3.27Å; A531-A533 PolarHBondContact O-N 2.81Å; A531-F534 PolarHBondContact O-N 2.88Å; A531-I535 WeakPolarHBondContact O-CG1 3.43Å; A531-I535 PolarHBondContact O-N 2.88Å; A531-F889 HydrophobicContact CB-CD1 3.51Å; A531-F889 HydrophobicContact CB-CE1 3.97Å; A531-S892 WeakPolarHBondContact CB-OG 3.36Å
532	N	84.3	Confident	88.5	Confident	38 Å²	38	15.7 Å²	15.7	20%	0.203	8%	0.081	C	C	.	.	H	α-helix	trans	-59.7	-40.6	178.3	-69	19.4	0	0	0	111.2	Q529 I535 H536 D894	Q529-N532 PolarHBondContact O-N 3.2Å; N532-I535 WeakPolarHBondContact O-CG1 3.39Å; N532-H536 WeakPolarHBondContact O-CB 3.31Å; N532-H536 PolarHBondContact O-N 2.92Å; N532-D894 PolarHBondContact ND2-OD1 2.82Å; N532-D894 PolarHBondContact ND2-OD2 2.85Å; N532-D894 PolarHBondContact OD1-OD1 2.83Å
533	A	86.1	Confident	87.1	Confident	3 Å²	3	20.5 Å²	20.5	3%	0.025	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-42.5	173.3	0	0	0	0	0	113.9	E503 L506 Q529 A531 I535 H536	E503-A533 HydrophobicContact CB-CB 4.19Å; E503-A533 HydrophobicContact CG-CB 3.96Å; L506-A533 HydrophobicContact CB-CB 4.26Å; L506-A533 HydrophobicContact CD1-CB 3.39Å; L506-A533 HydrophobicContact CG-CB 4.4Å; Q529-A533 WeakPolarHBondContact O-CB 3.5Å; Q529-A533 PolarHBondContact O-N 2.96Å; A531-A533 VanDerWaalsContact C-N 3.27Å; A531-A533 PolarHBondContact O-N 2.81Å; A533-I535 VanDerWaalsContact C-N 3.29Å; A533-I535 PolarHBondContact O-N 2.89Å; A533-H536 WeakPolarHBondContact O-CB 3.45Å; A533-H536 PolarHBondContact O-N 3.24Å
534	F	91.4	Very high	85.4	Confident	10 Å²	10	21.9 Å²	21.9	4%	0.044	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-39.3	176.2	178	-103.2	0	0	0	112.4	L143 W510 V524 G530 A531 L880 V887 F889	L143-F534 HydrophobicContact CD1-CB 3.86Å; L143-F534 HydrophobicContact CD1-CD2 3.53Å; L143-F534 HydrophobicContact CD1-CE2 4.42Å; L143-F534 HydrophobicContact CD1-CG 4.01Å; W510-F534 HydrophobicContact CH2-CE2 4.02Å; W510-F534 HydrophobicContact CZ3-CD2 4.47Å; W510-F534 HydrophobicContact CZ3-CE2 4Å; V524-F534 HydrophobicContact CG1-CD2 4.24Å; V524-F534 HydrophobicContact CG1-CE2 4Å; V524-F534 HydrophobicContact CG1-CZ 4.31Å; V524-F534 HydrophobicContact CG2-CE2 4.18Å; V524-F534 HydrophobicContact CG2-CZ 4.4Å; G530-F534 VanDerWaalsContact O-CB 3.31Å; G530-F534 WeakPolarHBondContact O-CB 3.08Å; G530-F534 PolarHBondContact O-N 2.95Å; A531-F534 PolarHBondContact O-N 2.88Å; F534-L880 HydrophobicContact CE2-CD2 3.8Å; F534-L880 HydrophobicContact CZ-CD1 4.05Å; F534-L880 HydrophobicContact CZ-CD2 3.57Å; F534-L880 HydrophobicContact CZ-CG 4.49Å; F534-V887 HydrophobicContact CD1-CG1 4.36Å; F534-V887 HydrophobicContact CE1-CG1 3.77Å; F534-V887 HydrophobicContact CE1-CG2 4.07Å; F534-V887 HydrophobicContact CZ-CG1 4.25Å; F534-V887 HydrophobicContact CZ-CG2 3.97Å; F534-F889 AromaticContact CD1-CE1 3.97Å; F534-F889 HydrophobicContact CD1-CE1 3.97Å; F534-F889 HydrophobicContact CD1-CZ 4.11Å; F534-F889 HydrophobicContact CE1-CE1 4.48Å; F534-F889 HydrophobicContact CE1-CZ 4.25Å
535	I	91.1	Very high	83.7	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-87.4	-8.5	177.9	72.3	-177.5	0	0	0	114.1	A531 N532 A533 F538 F889 D894 V895 V903	A531-I535 WeakPolarHBondContact O-CG1 3.43Å; A531-I535 PolarHBondContact O-N 2.88Å; N532-I535 WeakPolarHBondContact O-CG1 3.39Å; A533-I535 VanDerWaalsContact C-N 3.29Å; A533-I535 PolarHBondContact O-N 2.89Å; I535-F538 WeakPolarHBondContact O-CB 3.44Å; I535-F538 PolarHBondContact O-N 2.8Å; I535-F889 HydrophobicContact CG2-CE1 4.28Å; I535-F889 HydrophobicContact CG2-CZ 4.17Å; I535-D894 HydrophobicContact CD1-CB 3.79Å; I535-V895 HydrophobicContact CD1-CG1 3.9Å; I535-V895 HydrophobicContact CG2-CG1 4.32Å; I535-V903 HydrophobicContact CD1-CG2 3.98Å
536	H	88.5	Confident	81.6	Confident	22 Å²	22	25.8 Å²	25.8	10%	0.102	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-55.8	-45.9	-170.3	179.2	-123.6	0	0	0	114.1	E503 N532 A533 F538 K539 W869	E503-H536 HydrophobicContact CB-CB 3.87Å; E503-H536 WeakPolarHBondContact CB-ND1 3.47Å; E503-H536 HydrophobicContact CG-CB 3.9Å; N532-H536 WeakPolarHBondContact O-CB 3.31Å; N532-H536 PolarHBondContact O-N 2.92Å; A533-H536 WeakPolarHBondContact O-CB 3.45Å; A533-H536 PolarHBondContact O-N 3.24Å; H536-F538 PolarHBondContact O-N 2.9Å; H536-F538 VanDerWaalsContact O-N 3.13Å; H536-K539 WeakPolarHBondContact O-CB 3.24Å; H536-K539 PolarHBondContact O-N 2.96Å; H536-K539 VanDerWaalsContact O-N 3.1Å; H536-W869 AromaticContact CE1-CH2 3.47Å; H536-W869 VanDerWaalsContact CE1-CH2 3.47Å; H536-W869 WeakPolarHBondContact CE1-CH2 3.34Å; H536-W869 AromaticContact NE2-CH2 3.67Å
537	P	89.9	Confident	79.5	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.013	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-62.3	-22.3	178.1	-23.9	36.8	0	0	0	113.9	Y507 W869 K872 A873 L876	Y507-P537 HydrophobicContact CD2-CG 3.85Å; Y507-P537 HydrophobicContact CE2-CG 4.32Å; P537-W869 PolarHBondContact O-NE1 3.38Å; P537-W869 VanDerWaalsContact O-NE1 3.15Å; P537-K872 HydrophobicContact CB-CG 4.47Å; P537-A873 VanDerWaalsContact O-CB 3.28Å; P537-A873 WeakPolarHBondContact O-CB 3.41Å; P537-L876 HydrophobicContact CB-CD2 4.28Å; P537-L876 HydrophobicContact CG-CD2 3.88Å
538	F	92.8	Very high	77.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-87.6	-7.5	179.5	-53.7	-65	0	0	0	113.6	I535 H536 A873 L876 W877 L880 G904 W905 G906 L907 F940	I535-F538 WeakPolarHBondContact O-CB 3.44Å; I535-F538 PolarHBondContact O-N 2.8Å; H536-F538 PolarHBondContact O-N 2.9Å; H536-F538 VanDerWaalsContact O-N 3.13Å; F538-A873 HydrophobicContact CD1-CB 4.13Å; F538-A873 HydrophobicContact CE1-CB 4.44Å; F538-A873 WeakPolarHBondContact CE1-O 3.37Å; F538-L876 HydrophobicContact CD2-CD2 4.39Å; F538-L876 HydrophobicContact CE1-CB 4.25Å; F538-L876 HydrophobicContact CE1-CG 4.49Å; F538-L876 HydrophobicContact CE2-CD2 3.5Å; F538-L876 VanDerWaalsContact CE2-CD2 3.5Å; F538-L876 HydrophobicContact CE2-CG 3.91Å; F538-L876 HydrophobicContact CZ-CB 3.75Å; F538-L876 HydrophobicContact CZ-CD2 3.61Å; F538-L876 HydrophobicContact CZ-CG 3.54Å; F538-W877 HydrophobicContact CE1-CB 4.04Å; F538-L880 HydrophobicContact CE2-CD1 3.79Å; F538-L880 HydrophobicContact CZ-CD1 3.69Å; F538-G904 CarbonylContact O-C 3.23Å; F538-G904 VanDerWaalsContact O-C 3.28Å; F538-G904 WeakPolarHBondContact O-CA 3.35Å; F538-G904 PolarHBondContact O-N 2.86Å; F538-W905 PolarHBondContact O-N 3.45Å; F538-G906 PolarHBondContact O-N 3.14Å; F538-L907 HydrophobicContact CD1-CD1 4.14Å; F538-L907 HydrophobicContact CD1-CD2 4.17Å; F538-L907 HydrophobicContact CD1-CG 4.01Å; F538-L907 HydrophobicContact CE1-CD1 4.46Å; F538-L907 HydrophobicContact CE1-CD2 4.18Å; F538-L907 HydrophobicContact CE1-CG 4.45Å; F538-F940 HydrophobicContact CB-CE1 3.79Å; F538-F940 HydrophobicContact CB-CE2 4.48Å; F538-F940 HydrophobicContact CB-CZ 3.75Å; F538-F940 HydrophobicContact CD1-CD2 4.16Å; F538-F940 HydrophobicContact CD1-CE1 4.36Å; F538-F940 AromaticContact CD1-CE2 3.61Å; F538-F940 HydrophobicContact CD1-CE2 3.61Å; F538-F940 AromaticContact CD1-CZ 3.73Å; F538-F940 HydrophobicContact CD1-CZ 3.73Å; F538-F940 HydrophobicContact CD2-CE1 4.18Å; F538-F940 AromaticContact CD2-CE2 3.75Å; F538-F940 HydrophobicContact CD2-CE2 3.75Å; F538-F940 AromaticContact CD2-CZ 3.28Å; F538-F940 HydrophobicContact CD2-CZ 3.28Å; F538-F940 HydrophobicContact CE1-CD2 4.2Å; F538-F940 AromaticContact CE1-CE2 3.58Å; F538-F940 HydrophobicContact CE1-CE2 3.58Å; F538-F940 HydrophobicContact CE1-CZ 4.1Å; F538-F940 AromaticContact CE2-CE2 3.71Å; F538-F940 HydrophobicContact CE2-CE2 3.71Å; F538-F940 AromaticContact CE2-CZ 3.67Å; F538-F940 HydrophobicContact CE2-CZ 3.67Å; F538-F940 AromaticContact CG-CE1 3.86Å; F538-F940 HydrophobicContact CG-CE1 3.86Å; F538-F940 AromaticContact CG-CE2 3.68Å; F538-F940 HydrophobicContact CG-CE2 3.68Å; F538-F940 AromaticContact CG-CZ 3.29Å; F538-F940 HydrophobicContact CG-CZ 3.29Å; F538-F940 AromaticContact CZ-CE2 3.61Å; F538-F940 HydrophobicContact CZ-CE2 3.61Å; F538-F940 HydrophobicContact CZ-CZ 4.05Å
539	K	88.2	Confident	75.6	Confident	39 Å²	39	34.1 Å²	34.1	17%	0.17	19%	0.193	C	C	.	.	S	Bend	trans	-74.9	163.2	171	-68.4	-175.7	176.7	176.8	0	110.7	H536 W869 D894 V903 G906	H536-K539 WeakPolarHBondContact O-CB 3.24Å; H536-K539 PolarHBondContact O-N 2.96Å; H536-K539 VanDerWaalsContact O-N 3.1Å; K539-W869 PolarHBondContact O-NE1 3.11Å; K539-W869 VanDerWaalsContact O-NE1 3.16Å; K539-D894 IonicContact NZ-OD2 2.96Å; K539-D894 PolarHBondContact NZ-OD2 3.18Å; K539-V903 HydrophobicContact CG-CG2 4.02Å; K539-G906 WeakPolarHBondContact O-CA 3.25Å; K539-G906 PolarHBondContact O-N 2.86Å
540	P	82	Confident	73.5	Confident	17 Å²	17	33.9 Å²	33.9	11%	0.11	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-58.9	146.2	170	-12	27.5	0	0	0	109	P542 F545 F548 G902 W905	P540-P542 WeakPolarHBondContact O-CD 3.38Å; P540-F545 HydrophobicContact CB-CB 3.75Å; P540-F545 HydrophobicContact CB-CD1 3.74Å; P540-F545 HydrophobicContact CB-CE1 4.5Å; P540-F545 HydrophobicContact CB-CG 3.87Å; P540-F545 HydrophobicContact CG-CD1 4.38Å; P540-F548 HydrophobicContact CB-CB 4.43Å; P540-F548 HydrophobicContact CG-CB 3.86Å; P540-F548 HydrophobicContact CG-CD1 4.35Å; P540-F548 HydrophobicContact CG-CD2 4.05Å; P540-F548 HydrophobicContact CG-CG 3.8Å; P540-G902 WeakPolarHBondContact CD-O 3.49Å; P540-W905 HydrophobicContact CB-CB 4.44Å; P540-W905 HydrophobicContact CG-CB 4Å
541	M	79.4	Confident	70.9	Confident	13 Å²	13	37.4 Å²	37.4	6%	0.064	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63.5	127.5	177.8	-172.2	170.1	74.4	0	0	109.6	V544 L865 A866 W869 I909	M541-V544 HydrophobicContact CE-CB 3.55Å; M541-V544 HydrophobicContact CE-CG1 3.65Å; M541-V544 HydrophobicContact CE-CG2 3.63Å; M541-L865 HydrophobicContact CE-CB 3.79Å; M541-L865 HydrophobicContact SD-CB 4.03Å; M541-A866 HydrophobicContact CE-CB 4.13Å; M541-W869 HydrophobicContact CB-CB 4.31Å; M541-W869 HydrophobicContact CB-CD2 3.89Å; M541-W869 HydrophobicContact CB-CE3 4.36Å; M541-W869 HydrophobicContact CB-CG 3.88Å; M541-W869 HydrophobicContact CG-CB 4.23Å; M541-W869 HydrophobicContact CG-CD2 3.71Å; M541-W869 HydrophobicContact CG-CE3 3.67Å; M541-W869 HydrophobicContact CG-CG 3.99Å; M541-W869 HydrophobicContact CG-CZ3 4.22Å; M541-W869 HydrophobicContact SD-CB 3.65Å; M541-W869 HydrophobicContact SD-CD2 4.18Å; M541-W869 HydrophobicContact SD-CE3 4.03Å; M541-W869 HydrophobicContact SD-CG 4.08Å; M541-I909 HydrophobicContact CB-CD1 3.89Å
542	P	70.2	Confident	67.9	Low	56 Å²	56	43 Å²	43	36%	0.364	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	145	-178.7	-28.9	35.7	0	0	0	113.2	P540 V544 W869	P540-P542 WeakPolarHBondContact O-CD 3.38Å; P542-V544 PolarHBondContact O-N 2.91Å; P542-W869 HydrophobicContact CG-CH2 4.22Å
543	D	66.6	Low	65.1	Low	102 Å²	102	43.8 Å²	43.8	55%	0.545	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-9.1	175.7	-56.1	-44.5	0	0	0	117.3
544	V	63	Low	62.3	Low	28 Å²	28	51.3 Å²	51.3	17%	0.17	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-22.6	-179	172.4	0	0	0	0	113.9	M541 P542 P546 Q862 I923	M541-V544 HydrophobicContact CE-CB 3.55Å; M541-V544 HydrophobicContact CE-CG1 3.65Å; M541-V544 HydrophobicContact CE-CG2 3.63Å; P542-V544 PolarHBondContact O-N 2.91Å; V544-P546 WeakPolarHBondContact O-CD 3.37Å; V544-Q862 HydrophobicContact CG1-CB 4.42Å; V544-Q862 HydrophobicContact CG2-CG 4.26Å; V544-I923 HydrophobicContact CG1-CD1 3.86Å; V544-I923 HydrophobicContact CG1-CG2 4.49Å
545	F	62.3	Low	59.1	Low	11 Å²	11	58.5 Å²	58.5	5%	0.048	34%	0.339	C	S	.	.	S	Bend	trans	-101.3	107.8	-176	-153.5	-99	0	0	0	112	P540 F548 W905 I909 Y924 P926	P540-F545 HydrophobicContact CB-CB 3.75Å; P540-F545 HydrophobicContact CB-CD1 3.74Å; P540-F545 HydrophobicContact CB-CE1 4.5Å; P540-F545 HydrophobicContact CB-CG 3.87Å; P540-F545 HydrophobicContact CG-CD1 4.38Å; F545-F548 AromaticContact CD1-CD2 3.84Å; F545-F548 HydrophobicContact CD1-CD2 3.84Å; F545-F548 HydrophobicContact CD1-CE2 4.47Å; F545-F548 AromaticContact CE1-CD2 3.96Å; F545-F548 HydrophobicContact CE1-CD2 3.96Å; F545-F548 HydrophobicContact CE1-CE2 4.14Å; F545-W905 HydrophobicContact CE1-CD2 4.28Å; F545-W905 HydrophobicContact CE1-CE3 4.17Å; F545-W905 HydrophobicContact CE1-CG 4.47Å; F545-W905 HydrophobicContact CZ-CD2 4.34Å; F545-W905 AromaticContact CZ-CE3 3.79Å; F545-W905 HydrophobicContact CZ-CE3 3.79Å; F545-W905 HydrophobicContact CZ-CZ3 4.28Å; F545-I909 HydrophobicContact CD2-CG2 4.11Å; F545-I909 HydrophobicContact CE2-CG2 4.29Å; F545-Y924 HydrophobicContact CE2-CD1 4.42Å; F545-Y924 WeakPolarHBondContact CE2-O 3.29Å; F545-Y924 AromaticContact CZ-CD1 3.91Å; F545-Y924 HydrophobicContact CZ-CD1 3.91Å; F545-Y924 WeakPolarHBondContact CZ-O 3.42Å; F545-P926 HydrophobicContact CD1-CG 4.42Å; F545-P926 HydrophobicContact CE1-CG 3.84Å; F545-P926 HydrophobicContact CZ-CG 4.43Å
546	P	53.3	Low	55.9	Low	72 Å²	72	62.3 Å²	62.3	47%	0.468	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	157.2	-175.5	-20.1	34.2	0	0	0	113.2	V544 F548 P926	V544-P546 WeakPolarHBondContact O-CD 3.37Å; P546-F548 VanDerWaalsContact C-N 3.27Å; P546-F548 PolarHBondContact O-N 3.44Å; P546-P926 WeakPolarHBondContact O-CG 3.34Å
547	G	50.2	Low	53	Low	43 Å²	43	69.5 Å²	69.5	44%	0.443	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-37.8	177.8	0	0	0	0	0	114.2	L549	G547-L549 VanDerWaalsContact C-N 3.32Å; G547-L549 PolarHBondContact O-N 3.02Å; G547-L549 VanDerWaalsContact O-N 3.14Å
548	F	53.6	Low	50	Low	58 Å²	58	78.9 Å²	78.9	25%	0.254	44%	0.44	S	S	.	.			trans	-88	70.3	171.4	-68.1	-84.3	0	0	0	110.9	P540 F545 P546 S550 C899 W905	P540-F548 HydrophobicContact CB-CB 4.43Å; P540-F548 HydrophobicContact CG-CB 3.86Å; P540-F548 HydrophobicContact CG-CD1 4.35Å; P540-F548 HydrophobicContact CG-CD2 4.05Å; P540-F548 HydrophobicContact CG-CG 3.8Å; F545-F548 AromaticContact CD1-CD2 3.84Å; F545-F548 HydrophobicContact CD1-CD2 3.84Å; F545-F548 HydrophobicContact CD1-CE2 4.47Å; F545-F548 AromaticContact CE1-CD2 3.96Å; F545-F548 HydrophobicContact CE1-CD2 3.96Å; F545-F548 HydrophobicContact CE1-CE2 4.14Å; P546-F548 VanDerWaalsContact C-N 3.27Å; P546-F548 PolarHBondContact O-N 3.44Å; F548-S550 PolarHBondContact O-N 3.38Å; F548-C899 WeakPolarHBondContact CE1-O 3.41Å; F548-W905 AromaticContact CE2-CD1 3.82Å; F548-W905 HydrophobicContact CE2-CG 4.35Å; F548-W905 AromaticContact CE2-NE1 3.65Å; F548-W905 AromaticContact CZ-CD1 3.63Å; F548-W905 AromaticContact CZ-NE1 3.34Å; F548-W905 VanDerWaalsContact CZ-NE1 3.34Å
549	L	38.5	Very low	46.8	Very low	149 Å²	149	89 Å²	89	78%	0.78	48%	0.484	S	S	*	.			trans	-56.7	127.6	173.4	-69.1	173.3	0	0	0	110.1	G547	G547-L549 VanDerWaalsContact C-N 3.32Å; G547-L549 PolarHBondContact O-N 3.02Å; G547-L549 VanDerWaalsContact O-N 3.14Å
550	S	35.6	Very low	43.9	Very low	48 Å²	48	96.1 Å²	96.1	34%	0.336	52%	0.52	S	S	.	.			trans	-52	136.5	169.9	-178	0	0	0	0	109.5	F548 V552 V775	F548-S550 PolarHBondContact O-N 3.38Å; S550-V552 PolarHBondContact O-N 3.35Å; S550-V775 PolarHBondContact OG-O 2.86Å
551	P	31.5	Very low	41.3	Very low	74 Å²	74	101 Å²	101	48%	0.481	56%	0.555	S	S	.	*			trans	-53.9	109.3	-174.1	19.8	-33.1	0	0	0	110.8	S553 H774	P551-S553 PolarHBondContact O-N 2.96Å; P551-H774 HydrophobicContact CG-CB 4.31Å; P551-H774 WeakPolarHBondContact CG-ND1 3.05Å
552	V	27.8	Very low	38.8	Very low	118 Å²	118	106.2 Å²	106.2	72%	0.715	59%	0.592	S	S	*	*			trans	-54.9	130.2	-173.6	178.7	0	0	0	0	108.9	S550 I554	S550-V552 PolarHBondContact O-N 3.35Å; V552-I554 WeakPolarHBondContact O-CG1 3.45Å; V552-I554 PolarHBondContact O-N 2.8Å
553	S	26	Very low	36.8	Very low	54 Å²	54	110 Å²	110	38%	0.378	62%	0.615	S	S	.	*			trans	-60	107.4	-177	-72	0	0	0	0	110.6	P551 N555	P551-S553 PolarHBondContact O-N 2.96Å; S553-N555 PolarHBondContact O-N 2.92Å
554	I	26.5	Very low	34.9	Very low	161 Å²	161	110.9 Å²	110.9	83%	0.826	63%	0.626	S	S	*	*			trans	-75	65.4	177.9	-46.5	-179.6	0	0	0	109.5	V552	V552-I554 WeakPolarHBondContact O-CG1 3.45Å; V552-I554 PolarHBondContact O-N 2.8Å
555	N	23.8	Very low	33.2	Very low	160 Å²	160	117.3 Å²	117.3	86%	0.856	66%	0.658	S	S	*	*			trans	-130.8	21.7	178.7	-91.3	-31.1	0	0	0	112.1	S553	S553-N555 PolarHBondContact O-N 2.92Å
556	S	24.8	Very low	31.5	Very low	82 Å²	82	123.5 Å²	123.5	57%	0.573	69%	0.692	S	S	*	*	S	Bend	trans	-148.6	122	168.3	58.8	0	0	0	0	110.6
557	H	27.7	Very low	30.3	Very low	173 Å²	173	127.1 Å²	127.1	80%	0.801	71%	0.713	S	S	*	*	S	Bend	trans	66.3	144.2	175	-43.2	-75.2	0	0	0	115.2
558	K	26.9	Very low	29.2	Very low	198 Å²	198	132 Å²	132	86%	0.861	73%	0.728	S	S	*	*			cis	-124.8	160.3	-11.8	-98	171.3	-179.5	176.2	0	108.3	M560	K558-M560 PolarHBondContact O-N 2.82Å
559	K	24.1	Very low	28.1	Very low	213 Å²	213	138.7 Å²	138.7	93%	0.926	76%	0.757	S	S	*	*			trans	-66.6	129.8	163.7	-90	179.3	174.2	175.7	0	109.3
560	M	27.7	Very low	27.4	Very low	188 Å²	188	142.8 Å²	142.8	93%	0.926	76%	0.763	S	S	*	*			trans	-120.8	133.2	157.2	-70.3	-174.6	76.5	0	0	109.1	K558	K558-M560 PolarHBondContact O-N 2.82Å
561	S	27	Very low	27.1	Very low	120 Å²	120	149.5 Å²	149.5	84%	0.839	79%	0.788	S	S	*	*			trans	-104.5	132	-178.6	47.9	0	0	0	0	110.6
562	S	28.8	Very low	26.9	Very low	122 Å²	122	153.7 Å²	153.7	85%	0.853	80%	0.802	S	S	*	*			trans	-108.4	121.1	178	46.9	0	0	0	0	112.1
563	T	28.2	Very low	26.8	Very low	137 Å²	137	156.4 Å²	156.4	84%	0.84	81%	0.809	S	S	*	*			trans	-101.4	137	168	12.8	0	0	0	0	109.8
564	P	24.9	Very low	27	Very low	120 Å²	120	159.8 Å²	159.8	78%	0.779	83%	0.833	S	S	*	*			trans	-97.2	143.1	-174	36.1	-33.6	0	0	0	113.2
565	I	27.7	Very low	27.1	Very low	162 Å²	162	160.9 Å²	160.9	83%	0.831	83%	0.834	S	S	*	*			trans	-131	139.5	166.3	-69.2	169.8	0	0	0	109.2
566	N	26.5	Very low	27.4	Very low	142 Å²	142	162.4 Å²	162.4	76%	0.759	84%	0.836	S	S	*	*			trans	-85.6	146.9	173.5	-70.8	-33.4	0	0	0	110.9
567	T	28.7	Very low	27.7	Very low	148 Å²	148	163.6 Å²	163.6	91%	0.908	84%	0.842	S	S	*	*			trans	-116.4	108.5	157.2	45.9	0	0	0	0	109.6
568	D	26.3	Very low	27.8	Very low	144 Å²	144	163 Å²	163	77%	0.77	84%	0.843	S	S	*	*			trans	-153.7	101.1	168	-176.6	14	0	0	0	110.1
569	K	30.2	Very low	27.8	Very low	199 Å²	199	160.6 Å²	160.6	87%	0.865	84%	0.838	S	S	*	*			trans	-179.6	153.7	133.4	-100.9	173	-177.4	-170.2	0	112.7
570	R	24.5	Very low	28	Very low	236 Å²	236	155.8 Å²	155.8	89%	0.891	83%	0.829	S	S	*	*			trans	-81.9	156.8	172.4	-49.7	167.6	-178.9	174.5	-3.5	110.6
571	Q	30.3	Very low	28.2	Very low	188 Å²	188	153 Å²	153	88%	0.879	82%	0.824	S	S	*	*			trans	-155.2	171.4	135.7	-135.9	158.6	-16.8	0	0	111.4
572	E	25.5	Very low	28.3	Very low	163 Å²	163	153.4 Å²	153.4	76%	0.762	82%	0.822	S	S	*	*			trans	-114.9	163.3	-155.6	-67.7	146.4	118.9	0	0	114.6
573	M	26.8	Very low	28.3	Very low	174 Å²	174	153.9 Å²	153.9	86%	0.857	81%	0.813	S	S	*	*			trans	44.7	118.8	147.2	-70.3	169.2	57	0	0	121.5
574	S	30	Very low	28.5	Very low	126 Å²	126	155.1 Å²	155.1	88%	0.881	81%	0.81	S	S	*	*				-162.7	167.2	113.7	52.8	0	0	0	0	111
575	E	28.6	Very low	28.8	Very low	183 Å²	183	155.9 Å²	155.9	86%	0.855	81%	0.807	S	S	*	*			trans	-117.7	146.6	-166.5	-59.2	168.6	115.3	0	0	112.4
576	E	29.1	Very low	28.9	Very low	193 Å²	193	154.4 Å²	154.4	90%	0.902	80%	0.801	S	S	*	*				179.9	151.6	120.4	-99.2	-166.1	130.5	0	0	112.4
577	P	31.9	Very low	29.3	Very low	107 Å²	107	152.6 Å²	152.6	70%	0.695	80%	0.799	S	S	*	*			trans	-111.5	164.3	177.9	40.5	-32.7	0	0	0	114
578	I	29.5	Very low	29.4	Very low	160 Å²	160	153 Å²	153	82%	0.821	79%	0.793	S	S	*	*			trans	-169.1	128.2	148.4	-105.8	151.3	0	0	0	115
579	I	28	Very low	29.6	Very low	148 Å²	148	154.1 Å²	154.1	76%	0.759	79%	0.791	S	S	*	*			trans	35.9	127.5	145.2	-48.2	168.3	0	0	0	122.2
580	P	27.8	Very low	29.6	Very low	112 Å²	112	149.8 Å²	149.8	73%	0.727	78%	0.777	S	S	*	*			trans	-109.4	159.7	156.5	39.3	-30.7	0	0	0	114.4
581	P	32.3	Very low	30.1	Very low	128 Å²	128	147.2 Å²	147.2	83%	0.831	77%	0.772	S	S	*	*			trans	-110.4	173.9	174	40	-33.2	0	0	0	115.9
582	T	28.9	Very low	29.9	Very low	130 Å²	130	141.8 Å²	141.8	80%	0.798	77%	0.767	S	S	*	*			trans	-147.1	171	-169.9	-15.1	0	0	0	0	108.3
583	I	28.9	Very low	30.7	Very low	131 Å²	131	140 Å²	140	67%	0.672	77%	0.77	S	S	*	*			cis	-151.8	166.4	13.1	-27.2	155.7	0	0	0	108.1
584	H	32.6	Very low	30.8	Very low	164 Å²	164	141.3 Å²	141.3	76%	0.759	77%	0.774	S	S	*	*				169.2	161.4	120.4	-97	-76.6	0	0	0	114.9
585	N	30.1	Very low	30.7	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	76%	0.763	S	S	*	*			trans	-103.6	-171.2	-179.3	-55.2	-23.8	0	0	0	110.1
586	D	31.4	Very low	30.7	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	76%	0.761	S	S	*	*			cis	-173.1	167.5	47.3	-98.1	-49.9	0	0	0	113.8
587	S	34.2	Very low	30.7	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	75%	0.75	S	S	*	*			trans	74.2	156.4	152.1	82.1	0	0	0	0	120.3
588	M	30.3	Very low	30.6	Very low	157 Å²	157	133.3 Å²	133.3	77%	0.773	75%	0.749	S	S	*	*			cis	-164.8	147.4	-21.9	-110.5	162.9	60.1	0	0	112.5
589	F	31.5	Very low	30.7	Very low	167 Å²	167	132.1 Å²	132.1	73%	0.732	74%	0.744	S	S	*	*			trans	61.4	112.7	144	-83.4	-62.7	0	0	0	126.2
590	D	30.2	Very low	30.9	Very low	109 Å²	109	132.6 Å²	132.6	58%	0.583	74%	0.743	S	S	*	*				106.9	145.8	107.4	-130.2	-2	0	0	0	124.9
591	K	33.7	Very low	31.2	Very low	181 Å²	181	132.9 Å²	132.9	79%	0.787	74%	0.738	S	S	*	*			trans	55.8	121.7	153.5	-82.8	152	-169.5	140.7	0	124.3
592	G	27.6	Very low	31	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	73%	0.734	S	S	*	*				114.3	113.3	107.8	0	0	0	0	0	118.9
593	P	40.6	Very low	31	Very low	124 Å²	124	134.7 Å²	134.7	81%	0.805	74%	0.735	S	S	*	*			trans	-109.2	149.6	168.6	38	-29.2	0	0	0	113.3
594	E	30.7	Very low	30.8	Very low	203 Å²	203	135.3 Å²	135.3	95%	0.949	74%	0.74	S	S	*	*			trans	-157.6	-177.1	154.6	-131.4	165.2	-137.9	0	0	112.6
595	S	27.6	Very low	30.5	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	74%	0.741	S	S	*	*			trans	-118.1	166.9	-160	67.9	0	0	0	0	114.2
596	L	28	Very low	30.3	Very low	156 Å²	156	132.1 Å²	132.1	82%	0.817	74%	0.741	S	S	*	*				173.9	151.8	120.4	-94.1	166	0	0	0	116.8
597	S	29.3	Very low	30.1	Very low	94 Å²	94	133 Å²	133	66%	0.657	75%	0.751	S	S	*	*			trans	61.3	102.8	140	69.1	0	0	0	0	123.8
598	S	29.2	Very low	29.7	Very low	97 Å²	97	135.8 Å²	135.8	68%	0.678	75%	0.753	S	S	*	*				101.4	155.3	100.1	76.5	0	0	0	0	122.9
599	N	32.4	Very low	29.6	Very low	135 Å²	135	136.2 Å²	136.2	72%	0.722	75%	0.753	S	S	*	*			trans	92.1	85.1	152.1	-61.8	-13.9	0	0	0	121.9
600	H	32.5	Very low	29.4	Very low	157 Å²	157	135.2 Å²	135.2	73%	0.727	76%	0.755	S	S	*	*				90.8	139.8	110.7	-94.1	-85.4	0	0	0	123.8
601	D	33	Very low	29.3	Very low	119 Å²	119	134.9 Å²	134.9	64%	0.636	76%	0.761	S	S	*	*			trans	76.8	89.7	149	-59.5	-30.4	0	0	0	123.7
602	N	27.6	Very low	28.9	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	77%	0.767	S	S	*	*				45	109.2	106.8	-65.4	-52.4	0	0	0	119.2
603	L	29.1	Very low	28.8	Very low	156 Å²	156	140.9 Å²	140.9	82%	0.817	77%	0.771	S	S	*	*				-179.6	123.2	102	-97.6	164.7	0	0	0	114.7
604	N	26.1	Very low	28.1	Very low	144 Å²	144	146.2 Å²	146.2	77%	0.77	77%	0.774	S	S	*	*			trans	15.8	136.4	151	-64	-24	0	0	0	123.2
605	S	25.7	Very low	28	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	77%	0.767	S	S	*	*			trans	106.5	148.5	140.8	81.6	0	0	0	0	119.6
606	V	26.3	Very low	27.9	Very low	120 Å²	120	145.7 Å²	145.7	73%	0.727	77%	0.77	S	S	*	*			trans	59.1	81.4	173.6	-163.5	0	0	0	0	116.4	Q608	V606-Q608 VanDerWaalsContact C-N 3.3Å; V606-Q608 HydrophobicContact CG1-CB 4.42Å; V606-Q608 HydrophobicContact CG1-CG 4.28Å; V606-Q608 PolarHBondContact O-N 2.81Å
607	V	25.9	Very low	27.7	Very low	151 Å²	151	147.1 Å²	147.1	92%	0.915	77%	0.769	S	S	*	*			trans	-76.7	82.2	162.8	-175.7	0	0	0	0	109.9
608	Q	25.9	Very low	27.5	Very low	162 Å²	162	151.5 Å²	151.5	76%	0.757	78%	0.779	S	S	*	*			trans	-111.4	100.5	155.5	-80.9	-164.1	-4.1	0	0	108.8	V606	V606-Q608 VanDerWaalsContact C-N 3.3Å; V606-Q608 HydrophobicContact CG1-CB 4.42Å; V606-Q608 HydrophobicContact CG1-CG 4.28Å; V606-Q608 PolarHBondContact O-N 2.81Å
609	H	29.9	Very low	27.3	Very low	166 Å²	166	154.6 Å²	154.6	77%	0.769	79%	0.787	S	S	*	*			trans	-114.1	96.2	171.4	-125.5	-62.1	0	0	0	111.9
610	N	25.4	Very low	26.9	Very low	146 Å²	146	155.6 Å²	155.6	78%	0.781	79%	0.788	S	S	*	*			trans	-70.8	130.1	154.1	-88.3	-76.1	0	0	0	108.5
611	S	29.1	Very low	26.5	Very low	101 Å²	101	157.6 Å²	157.6	71%	0.706	79%	0.789	S	S	*	*			trans	-143.3	87	166.9	41.8	0	0	0	0	109.8	M613	S611-M613 PolarHBondContact O-N 3.02Å; S611-M613 VanDerWaalsContact O-N 3.17Å
612	K	25.2	Very low	26.2	Very low	209 Å²	209	157.7 Å²	157.7	91%	0.909	80%	0.799	S	S	*	*			trans	-63.9	113.3	168.7	-76.8	176.3	177	170	0	109
613	M	26.3	Very low	26.1	Very low	174 Å²	174	154.1 Å²	154.1	86%	0.857	78%	0.782	S	S	*	*			trans	-112.7	112	162.4	-145	171	-169.6	0	0	109.3	S611	S611-M613 PolarHBondContact O-N 3.02Å; S611-M613 VanDerWaalsContact O-N 3.17Å
614	R	24.4	Very low	25.9	Very low	235 Å²	235	150.1 Å²	150.1	89%	0.887	76%	0.762	S	S	*	*			trans	-78.8	123.2	167.1	-82.5	175.7	165.7	153.4	-8.6	107.7
615	I	29.4	Very low	25.9	Very low	154 Å²	154	149.5 Å²	149.5	79%	0.79	77%	0.767	S	S	*	*			trans	-121.5	127.6	153	-62	-177.4	0	0	0	106.9
616	N	24.8	Very low	25.8	Very low	133 Å²	133	151.5 Å²	151.5	71%	0.711	77%	0.768	S	S	*	*			trans	-104.1	132.5	-173.4	-110.2	-25.8	0	0	0	109.6
617	K	24.6	Very low	25.8	Very low	185 Å²	185	150.3 Å²	150.3	80%	0.804	77%	0.765	S	S	*	*			trans	63.2	162.4	157.4	-59.1	-176.6	174.7	-175.4	0	117.4
618	Q	24.3	Very low	25.8	Very low	187 Å²	187	154.2 Å²	154.2	87%	0.874	76%	0.763	S	S	*	*			trans	64.4	134.5	175.4	-65.3	167.8	-23.5	0	0	113.2
619	L	25.2	Very low	25.8	Very low	161 Å²	161	152.2 Å²	152.2	84%	0.843	76%	0.762	S	S	*	*			cis	-134.8	151.5	34.8	-152.1	67.7	0	0	0	112.6
620	E	24.4	Very low	25.6	Very low	157 Å²	157	151.4 Å²	151.4	73%	0.734	76%	0.762	S	S	*	*			trans	-88.1	179.5	167.8	-74.1	-177.9	117	0	0	111.8
621	W	24.9	Very low	25.6	Very low	199 Å²	199	154.7 Å²	154.7	75%	0.754	77%	0.77	S	S	*	*			trans	-15	148.1	179.4	-50.3	-40	0	0	0	120.9
622	S	26.1	Very low	25.4	Very low	120 Å²	120	154.8 Å²	154.8	84%	0.839	77%	0.77	S	S	*	*			trans	-117.5	92.5	149.1	-172.3	0	0	0	0	110
623	T	25.1	Very low	25.6	Very low	64 Å²	64	150.7 Å²	150.7	39%	0.393	77%	0.765	S	S	.	*			trans	-108.6	134.1	151.8	38.1	0	0	0	0	107.2	P754	T623-P754 PolarHBondContact OG1-O 3.25Å
624	D	24.2	Very low	25.7	Very low	73 Å²	73	147.8 Å²	147.8	39%	0.39	76%	0.757	S	S	.	*			trans	64.1	130.3	-178.2	-54.9	-71.4	0	0	0	117.6	K755	D624-K755 WeakPolarHBondContact OD1-CD 3.33Å; D624-K755 IonicContact OD1-NZ 3.57Å; D624-K755 PolarHBondContact OD1-NZ 2.91Å; D624-K755 VanDerWaalsContact OD2-CB 3.28Å; D624-K755 WeakPolarHBondContact OD2-CB 3.44Å; D624-K755 VanDerWaalsContact OD2-CD 3.29Å; D624-K755 WeakPolarHBondContact OD2-CD 3.32Å; D624-K755 WeakPolarHBondContact OD2-CG 3.48Å; D624-K755 IonicContact OD2-NZ 2.96Å; D624-K755 PolarHBondContact OD2-NZ 2.8Å
625	C	27.8	Very low	25.9	Very low	131 Å²	131	143.3 Å²	143.3	89%	0.885	76%	0.755	S	S	*	*				-158.5	165	92.8	-144.8	0	0	0	0	111.9
626	L	23.6	Very low	25.7	Very low	154 Å²	154	142.8 Å²	142.8	81%	0.806	75%	0.754	S	S	*	*			trans	-110.3	144.2	-177.2	-85.1	165	0	0	0	112
627	S	26.1	Very low	25.7	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	75%	0.753	S	S	*	*			trans	80.3	143.7	149.1	85.1	0	0	0	0	120.2
628	R	24.8	Very low	25.9	Very low	233 Å²	233	140.3 Å²	140.3	88%	0.879	75%	0.753	S	S	*	*			trans	72.4	136.9	160.9	-55.4	179.9	-160.9	-144.3	2.2	115.5
629	V	25.4	Very low	25.9	Very low	120 Å²	120	137 Å²	137	73%	0.727	75%	0.751	S	S	*	*			cis	-160.2	152.5	6	102.2	0	0	0	0	113.2
630	L	25.6	Very low	26.1	Very low	150 Å²	150	135.7 Å²	135.7	79%	0.785	75%	0.749	S	S	*	*			trans	45.6	113.8	159.8	-59.2	172	0	0	0	121.4
631	K	27.2	Very low	26.1	Very low	214 Å²	214	132.6 Å²	132.6	93%	0.93	75%	0.745	S	S	*	*				-169.1	143.2	94.1	-98.8	173.6	-176.5	179.6	0	111
632	S	24.9	Very low	26.4	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	75%	0.751	S	S	*	*			trans	-155.2	139	173.8	-176.5	0	0	0	0	109.8
633	P	29.5	Very low	26.3	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	74%	0.744	S	S	*	*			trans	-86	127.6	159.1	9.8	8.8	0	0	0	109.8
634	V	26.6	Very low	26.4	Very low	113 Å²	113	135.9 Å²	135.9	69%	0.685	76%	0.762	S	S	*	*			trans	-90.7	136.2	170.8	169.2	0	0	0	0	109.2	L636	V634-L636 HydrophobicContact CG1-CD1 4Å; V634-L636 HydrophobicContact CG1-CG 3.74Å
635	V	30	Very low	26.4	Very low	141 Å²	141	136.9 Å²	136.9	86%	0.855	78%	0.775	S	S	*	*			trans	-112.6	100.8	160.3	-179.7	0	0	0	0	108.2
636	L	24.7	Very low	26.5	Very low	144 Å²	144	140.1 Å²	140.1	75%	0.754	77%	0.774	S	S	*	*			trans	-86.5	164.5	150.9	-63.1	153.8	0	0	0	106.2	V634	V634-L636 HydrophobicContact CG1-CD1 4Å; V634-L636 HydrophobicContact CG1-CG 3.74Å
637	T	25.3	Very low	26.5	Very low	113 Å²	113	142.1 Å²	142.1	69%	0.693	78%	0.776	S	S	*	*			cis	-139.3	162.5	16.9	47.4	0	0	0	0	110.3
638	D	28.7	Very low	26.5	Very low	152 Å²	152	142.4 Å²	142.4	81%	0.813	78%	0.778	S	S	*	*				179.6	128.3	106.5	-97.1	4.8	0	0	0	112.2
639	S	24.4	Very low	26.6	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	78%	0.781	S	S	*	*			trans	-116.4	116.9	178.7	56.5	0	0	0	0	109.9
640	V	29.3	Very low	26.5	Very low	133 Å²	133	144.8 Å²	144.8	81%	0.806	79%	0.785	S	S	*	*			trans	-119.5	98.9	166.8	-177.7	0	0	0	0	109.4
641	S	23.6	Very low	26.6	Very low	92 Å²	92	143.2 Å²	143.2	64%	0.643	79%	0.787	S	S	*	*			trans	-72.1	143.2	163.5	55.8	0	0	0	0	110.5
642	H	31.2	Very low	26.4	Very low	188 Å²	188	139.5 Å²	139.5	87%	0.87	78%	0.777	S	S	*	*			trans	-138.5	150	149.6	-106.4	-78.2	0	0	0	112.4
643	I	23.9	Very low	26.4	Very low	135 Å²	135	143.1 Å²	143.1	69%	0.692	78%	0.782	S	S	*	*			trans	-121.3	166.5	-159.8	-64.3	162.4	0	0	0	109.5
644	T	28.2	Very low	26.3	Very low	128 Å²	128	142.1 Å²	142.1	79%	0.785	78%	0.777	S	S	*	*			trans	114.3	128.9	162.3	68	0	0	0	0	114.2
645	S	23.6	Very low	26.3	Very low	94 Å²	94	144.4 Å²	144.4	66%	0.657	79%	0.786	S	S	*	*			cis	96.2	104	12.5	89	0	0	0	0	117.7
646	K	29.7	Very low	26.3	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	78%	0.782	S	S	*	*			trans	-171.7	121.3	145.5	-93.8	140	-174	177.1	0	106.1
647	K	24.3	Very low	26.5	Very low	196 Å²	196	142.5 Å²	142.5	85%	0.852	79%	0.789	S	S	*	*				63.9	138.8	72.9	-75.7	-166.6	174.1	-176.4	0	113.8
648	S	26.8	Very low	26.8	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	79%	0.794	S	S	*	*			cis	161.6	122.2	-32.7	47.4	0	0	0	0	107.7
649	R	26	Very low	26.8	Very low	248 Å²	248	142.4 Å²	142.4	94%	0.936	79%	0.791	S	S	*	*			trans	-155.2	133.5	162.9	-135.2	173	-173.1	178	0.3	115.4
650	L	23.4	Very low	26.8	Very low	156 Å²	156	141.3 Å²	141.3	82%	0.817	78%	0.783	S	S	*	*			trans	-60.4	147	173.4	-58.3	130.4	0	0	0	113.3
651	S	26.6	Very low	26.5	Very low	117 Å²	117	140.7 Å²	140.7	82%	0.818	78%	0.78	S	S	*	*				-153.1	146.2	122.7	56.3	0	0	0	0	109.5
652	N	24.1	Very low	26.5	Very low	136 Å²	136	144.4 Å²	144.4	73%	0.727	79%	0.787	S	S	*	*			trans	-69.7	170.6	173.1	-54.3	-19.8	0	0	0	108.8
653	E	25.4	Very low	26.1	Very low	178 Å²	178	142 Å²	142	83%	0.832	79%	0.785	S	S	*	*				-163	158.8	55.9	-77.8	-176.8	145.3	0	0	114.4
654	C	26.6	Very low	26.1	Very low	102 Å²	102	139.2 Å²	139.2	69%	0.689	78%	0.783	S	S	*	*			trans	64.3	112	155	-60.3	0	0	0	0	122.1
655	D	27.7	Very low	26.1	Very low	161 Å²	161	143.8 Å²	143.8	86%	0.861	79%	0.787	S	S	*	*				72.7	88.2	129.7	-53	-20.6	0	0	0	120.5
656	G	29.2	Very low	26.3	Very low	76 Å²	76	146.3 Å²	146.3	78%	0.784	79%	0.792	S	S	*	*			trans	176.8	70.8	166.6	0	0	0	0	0	113.1
657	N	29.3	Very low	26.2	Very low	169 Å²	169	143.8 Å²	143.8	90%	0.904	79%	0.788	S	S	*	*			trans	-73.5	128.9	-171.3	-75.5	-26	0	0	0	114.6
658	D	30.8	Very low	26.4	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	78%	0.782	S	S	*	*			trans	-51.5	158.4	148.4	-114.6	-39.5	0	0	0	110.8
659	P	28.4	Very low	26.5	Very low	114 Å²	114	140.9 Å²	140.9	74%	0.74	78%	0.784	S	S	*	*				-156.8	-173.2	66.2	44.1	-23.2	0	0	0	117.7
660	S	24.2	Very low	26.5	Very low	96 Å²	96	133.4 Å²	133.4	67%	0.671	77%	0.77	S	S	*	*			trans	-64.3	146.1	166.9	58.4	0	0	0	0	114.7
661	T	23.2	Very low	26.6	Very low	121 Å²	121	132 Å²	132	74%	0.742	76%	0.763	S	S	*	*			trans	75.4	138.9	158.7	-21.5	0	0	0	0	117.9
662	Q	23.5	Very low	26.7	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	76%	0.763	S	S	*	*			trans	81.5	114.5	163.6	-50.1	-163.5	27	0	0	120
663	V	23.4	Very low	26.8	Very low	137 Å²	137	137.4 Å²	137.4	83%	0.83	76%	0.763	S	S	*	*				75.3	142.7	125.5	175.5	0	0	0	0	120.8
664	A	24.8	Very low	26.8	Very low	77 Å²	77	134.8 Å²	134.8	64%	0.636	76%	0.755	S	S	*	*			trans	82.7	105.3	163.5	0	0	0	0	0	120.3
665	Y	27.1	Very low	26.8	Very low	225 Å²	225	135.4 Å²	135.4	88%	0.882	75%	0.751	S	S	*	*				13.2	155.8	118.3	-70	-83	0	0	0	120.9
666	I	28.5	Very low	26.7	Very low	146 Å²	146	133.3 Å²	133.3	75%	0.749	74%	0.74	S	S	*	*				-168.9	159.8	115.2	-103.5	159.2	0	0	0	112.8
667	N	27	Very low	26.6	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	73%	0.734	S	S	*	*			trans	74.8	141.1	161.3	-88	-8.4	0	0	0	118.9
668	V	28.1	Very low	26.4	Very low	121 Å²	121	134.4 Å²	134.4	73%	0.733	73%	0.727	S	S	*	*			cis	-152.3	166.9	6.1	-164.9	0	0	0	0	108.5
669	P	29.8	Very low	26.2	Very low	114 Å²	114	134.1 Å²	134.1	74%	0.74	73%	0.725	S	S	*	*			cis	-113.7	-170.9	-42	33.3	-15.8	0	0	0	113.2
670	S	25.3	Very low	26.1	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	73%	0.726	S	S	*	*			trans	-73.4	177.7	159	53	0	0	0	0	111.6
671	D	26.5	Very low	26.3	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	73%	0.728	S	S	*	*				-155.9	-178	51.8	-74.4	-44.4	0	0	0	114.2
672	Y	27.6	Very low	26.4	Very low	208 Å²	208	140.6 Å²	140.6	82%	0.816	74%	0.736	S	S	*	*			trans	75.4	77.9	163.8	-64.6	-72.8	0	0	0	119.7
673	H	27.7	Very low	26.5	Very low	158 Å²	158	135 Å²	135	73%	0.731	72%	0.715	S	S	*	*				27.1	133.5	111.3	-92.7	-52.9	0	0	0	120.1
674	N	25.4	Very low	26.6	Very low	124 Å²	124	138.4 Å²	138.4	66%	0.663	72%	0.719	S	S	*	*				56	137	129.2	-64.5	28.9	0	0	0	119.4
675	N	26	Very low	26.6	Very low	114 Å²	114	141.9 Å²	141.9	61%	0.61	73%	0.726	S	S	*	*			cis	-160.7	166.1	22.1	-129.5	21.9	0	0	0	113.2
676	D	25.8	Very low	26.4	Very low	118 Å²	118	137.8 Å²	137.8	63%	0.631	71%	0.709	S	S	*	*			trans	72.6	124.3	138.1	-72.8	-24.6	0	0	0	124.2
677	I	25.8	Very low	26.1	Very low	128 Å²	128	139.4 Å²	139.4	66%	0.656	71%	0.71	S	S	*	*				84.2	117.2	124.8	-69	172.3	0	0	0	119
678	N	25.9	Very low	26.1	Very low	140 Å²	140	139 Å²	139	75%	0.749	71%	0.713	S	S	*	*			trans	49.9	126.1	152.3	-55.9	-12.1	0	0	0	117.8
679	N	26.8	Very low	25.8	Very low	143 Å²	143	143.3 Å²	143.3	77%	0.765	72%	0.716	S	S	*	*				-161.7	176.7	52.6	-133.2	-21.8	0	0	0	114.7
680	T	25.7	Very low	25.6	Very low	121 Å²	121	147.6 Å²	147.6	74%	0.742	72%	0.718	S	S	*	*			trans	-29.4	137.2	169.3	52.2	0	0	0	0	118.5
681	D	28.5	Very low	25.6	Very low	136 Å²	136	153.3 Å²	153.3	73%	0.727	73%	0.725	S	S	*	*				-151.5	157.7	123.2	-152.5	-7.5	0	0	0	112.6	S683	D681-S683 PolarHBondContact OD1-OG 3.4Å; D681-S683 PolarHBondContact OD2-OG 3.24Å
682	K	24.8	Very low	25.6	Very low	209 Å²	209	154.3 Å²	154.3	91%	0.909	73%	0.726	S	S	*	*			trans	-141.1	63.1	-174.8	-73.1	-177.9	174.1	175.3	0	112.3
683	S	25.5	Very low	25.5	Very low	51 Å²	51	152.3 Å²	152.3	36%	0.357	73%	0.728	S	S	.	*			trans	-144.8	45.2	-160.9	51.2	0	0	0	0	116.5	D681	D681-S683 PolarHBondContact OD1-OG 3.4Å; D681-S683 PolarHBondContact OD2-OG 3.24Å
684	K	26.7	Very low	25.5	Very low	210 Å²	210	149.7 Å²	149.7	91%	0.913	73%	0.728	S	S	*	*			trans	-133.6	57.1	170.8	-70.1	-168.2	178.3	174.9	0	115.5
685	I	23.7	Very low	25.5	Very low	150 Å²	150	149.9 Å²	149.9	77%	0.769	74%	0.739	S	S	*	*			trans	-119.9	90.2	163.9	-56.7	177.1	0	0	0	108.6	F687	I685-F687 HydrophobicContact CG2-CD2 4.43Å; I685-F687 HydrophobicContact CG2-CE2 4.1Å
686	R	23.9	Very low	25.5	Very low	138 Å²	138	147.6 Å²	147.6	52%	0.521	74%	0.742	S	S	.	*			trans	-103.4	111.3	179.6	-143.1	167.5	-166.8	-143	-5	112.2	D232 N233 N234	D232-R686 PolarHBondContact O-NH2 3.08Å; N233-R686 VanDerWaalsContact O-CD 3.23Å; N233-R686 WeakPolarHBondContact O-CD 3.46Å; N233-R686 PolarHBondContact O-NE 2.94Å; N233-R686 PolarHBondContact O-NH1 3.29Å; N233-R686 VanDerWaalsContact O-NH1 3.07Å; N234-R686 VanDerWaalsContact N-NH1 3.11Å; N234-R686 PolarHBondContact O-NH1 3.32Å
687	F	22.6	Very low	25.5	Very low	180 Å²	180	148.5 Å²	148.5	79%	0.789	75%	0.754	S	S	*	*			trans	-69.7	133.1	-177	-73	-110.2	0	0	0	112.2	I685	I685-F687 HydrophobicContact CG2-CD2 4.43Å; I685-F687 HydrophobicContact CG2-CE2 4.1Å
688	T	25.2	Very low	25.4	Very low	137 Å²	137	148.2 Å²	148.2	84%	0.84	75%	0.753	S	S	*	*			trans	-101.7	110.4	155.7	44.6	0	0	0	0	109.8	R690	T688-R690 PolarHBondContact O-N 3.41Å
689	R	23.1	Very low	25.3	Very low	212 Å²	212	149.5 Å²	149.5	80%	0.8	76%	0.759	S	S	*	*			trans	-80.9	82.6	-162.7	-159.7	-177.7	-160.2	-178.4	8.9	112.4	R691	R689-R691 PolarHBondContact O-N 3.07Å
690	R	24.1	Very low	25.1	Very low	204 Å²	204	149.8 Å²	149.8	77%	0.77	76%	0.757	S	S	*	*			trans	-58.7	108	170	-74.9	-173	179	-180	1.4	110.8	T688	T688-R690 PolarHBondContact O-N 3.41Å
691	R	26.2	Very low	25	Very low	212 Å²	212	150.2 Å²	150.2	80%	0.8	76%	0.76	S	S	*	*			trans	-91.3	122	158.1	-86.1	-176.6	166.8	165.5	-5.2	108.7	R689	R689-R691 PolarHBondContact O-N 3.07Å
692	H	26.1	Very low	24.9	Very low	147 Å²	147	151.3 Å²	151.3	68%	0.681	76%	0.76	S	S	*	*			trans	-80.8	141.1	175.3	-79	-119	0	0	0	111
693	L	26.8	Very low	24.9	Very low	166 Å²	166	151 Å²	151	87%	0.869	76%	0.759	S	S	*	*			trans	-138.1	122.8	146.4	-76	178.8	0	0	0	108.7
694	S	26.3	Very low	25	Very low	104 Å²	104	154.9 Å²	154.9	73%	0.727	78%	0.776	S	S	*	*			trans	30	129.8	150.4	53	0	0	0	0	120.6
695	S	26.3	Very low	25	Very low	128 Å²	128	153 Å²	153	90%	0.895	77%	0.771	S	S	*	*			cis	-163.3	155.5	3.6	-78	0	0	0	0	111
696	G	25.6	Very low	25.3	Very low	65 Å²	65	153.7 Å²	153.7	67%	0.67	78%	0.776	S	S	*	*			trans	129.8	134.7	173.1	0	0	0	0	0	112.7
697	P	26.4	Very low	25.4	Very low	137 Å²	137	150.1 Å²	150.1	89%	0.89	78%	0.781	S	S	*	*			trans	-76.2	143.4	-162.6	29.3	-35.7	0	0	0	114.2
698	I	23.2	Very low	25.7	Very low	123 Å²	123	149 Å²	149	63%	0.631	79%	0.79	S	S	*	*			trans	-103.8	127.4	173.3	-60.8	170.7	0	0	0	108	M700	I698-M700 HydrophobicContact CG2-CG 3.84Å
699	L	22.8	Very low	25.7	Very low	166 Å²	166	153.8 Å²	153.8	87%	0.869	79%	0.792	S	S	*	*			trans	-93.1	110.7	160.8	-161.9	79.1	0	0	0	107.9
700	M	22.9	Very low	25.9	Very low	149 Å²	149	153.8 Å²	153.8	73%	0.734	80%	0.798	S	S	*	*			trans	-90.7	127.1	172.2	-80.4	-165.9	167.2	0	0	110.2	I698	I698-M700 HydrophobicContact CG2-CG 3.84Å
701	T	24.7	Very low	25.9	Very low	130 Å²	130	149 Å²	149	80%	0.798	80%	0.796	S	S	*	*			trans	-107.4	100	164.2	51.4	0	0	0	0	109
702	H	25	Very low	25.9	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.736	80%	0.798	S	S	*	*			trans	-70.9	125.4	174.4	-149.1	-93.2	0	0	0	109.1	N704	H702-N704 PolarHBondContact CE1-OD1 3.49Å; H702-N704 PolarHBondContact ND1-OD1 2.94Å; H702-N704 PolarHBondContact O-N 3.09Å
703	K	25.3	Very low	25.7	Very low	202 Å²	202	144.7 Å²	144.7	88%	0.878	80%	0.802	S	S	*	*			trans	-86.2	99.4	163.4	-86.7	-168.3	172	-170.8	0	108
704	N	28.5	Very low	25.6	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	80%	0.799	S	S	*	*			trans	-83.9	138.4	154.9	-84.1	16.9	0	0	0	108.8	H702	H702-N704 PolarHBondContact CE1-OD1 3.49Å; H702-N704 PolarHBondContact ND1-OD1 2.94Å; H702-N704 PolarHBondContact O-N 3.09Å
705	E	26.3	Very low	25.5	Very low	172 Å²	172	147.1 Å²	147.1	80%	0.804	81%	0.805	S	S	*	*			trans	-81.1	167.6	166.2	-64.9	171.3	160.2	0	0	109.2
706	N	29.5	Very low	25.5	Very low	164 Å²	164	149.1 Å²	149.1	88%	0.877	80%	0.801	S	S	*	*			trans	73.5	111.2	-178.6	-51	-36.1	0	0	0	117.3
707	G	27.5	Very low	25.7	Very low	62 Å²	62	152.2 Å²	152.2	64%	0.639	81%	0.809	S	S	*	*				109.8	98.4	101.8	0	0	0	0	0	119.1
708	T	28.6	Very low	25.6	Very low	157 Å²	157	150.8 Å²	150.8	96%	0.963	80%	0.798	S	S	*	*			trans	69.6	154.2	151	68.7	0	0	0	0	119.5
709	R	24.2	Very low	26	Very low	238 Å²	238	151.9 Å²	151.9	90%	0.898	81%	0.805	S	S	*	*			trans	-131.2	134.7	-171	-171.5	-170.7	-164.4	-165.2	6.4	107.4
710	K	27.6	Very low	26.2	Very low	212 Å²	212	150.5 Å²	150.5	92%	0.922	80%	0.798	S	S	*	*			trans	-131.9	135.1	161.1	-78.7	-167.4	174.4	-175	0	109.2
711	S	23.6	Very low	26.6	Very low	103 Å²	103	151 Å²	151	72%	0.72	80%	0.804	S	S	*	*			trans	-103	156.5	176.4	42.9	0	0	0	0	110.6
712	A	25.9	Very low	26.8	Very low	103 Å²	103	152.2 Å²	152.2	85%	0.851	81%	0.805	S	S	*	*			trans	-137.2	138.9	160.9	0	0	0	0	0	107.7
713	H	23.4	Very low	27.1	Very low	166 Å²	166	150 Å²	150	77%	0.769	81%	0.805	S	S	*	*			trans	-102.9	160.9	175.5	-69.1	-107.7	0	0	0	110.2
714	I	24.5	Very low	27.1	Very low	157 Å²	157	147.2 Å²	147.2	81%	0.805	80%	0.799	S	S	*	*			trans	-177.8	97.3	150.8	-93	145	0	0	0	103.5
715	L	23.7	Very low	27.1	Very low	163 Å²	163	149 Å²	149	85%	0.853	81%	0.806	S	S	*	*				88.6	125.5	80	-80.1	166.6	0	0	0	112.5
716	E	27.2	Very low	27.1	Very low	171 Å²	171	146 Å²	146	80%	0.799	80%	0.8	S	S	*	*			trans	-83.5	178.2	176.2	-60.8	178.5	139.5	0	0	111.8
717	P	28.2	Very low	27.1	Very low	130 Å²	130	145.1 Å²	145.1	84%	0.844	80%	0.796	S	S	*	*				-139.5	165.3	108	39.2	-28.8	0	0	0	115.8
718	T	26	Very low	27	Very low	106 Å²	106	148.9 Å²	148.9	65%	0.65	80%	0.801	S	S	*	*			trans	-86.8	170.4	179.1	52.2	0	0	0	0	113.8
719	N	31	Very low	27	Very low	147 Å²	147	152.1 Å²	152.1	79%	0.786	80%	0.797	S	S	*	*				-177.5	157.7	116.5	-90.1	3	0	0	0	113.6
720	D	26.4	Very low	27.3	Very low	136 Å²	136	147.8 Å²	147.8	73%	0.727	79%	0.787	S	S	*	*			trans	-83.8	165.2	-167.2	-44.6	-93.6	0	0	0	115.5
721	N	32.4	Very low	27.3	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	78%	0.779	S	S	*	*				179.4	155.8	112.8	-94.6	-69.5	0	0	0	113.7
722	L	27.3	Very low	27.6	Very low	155 Å²	155	146 Å²	146	81%	0.812	78%	0.783	S	S	*	*			trans	-109.3	-170.6	176.5	-114.6	77.9	0	0	0	109.9
723	P	32.6	Very low	27.8	Very low	114 Å²	114	148.7 Å²	148.7	74%	0.74	78%	0.778	S	S	*	*			cis	-135.1	-160.7	1.7	31	-5.1	0	0	0	115.7
724	L	25	Very low	28	Very low	142 Å²	142	147.9 Å²	147.9	74%	0.743	78%	0.775	S	S	*	*			trans	-61.8	165.2	-175.6	-60.3	67.7	0	0	0	117.8
725	I	29.1	Very low	28.4	Very low	170 Å²	170	146.5 Å²	146.5	87%	0.872	77%	0.769	S	S	*	*				-168.1	165	123.8	-98.1	156.9	0	0	0	110.9
726	T	25.5	Very low	28.8	Very low	110 Å²	110	145.1 Å²	145.1	68%	0.675	76%	0.763	S	S	*	*			trans	-117.7	162.4	-165.5	54.6	0	0	0	0	114.9
727	N	28.7	Very low	28.8	Very low	146 Å²	146	146.4 Å²	146.4	78%	0.781	77%	0.765	S	S	*	*				160.3	165.4	128.2	-80.9	7.3	0	0	0	114.7
728	D	26.6	Very low	28.9	Very low	140 Å²	140	145.4 Å²	145.4	75%	0.749	76%	0.759	S	S	*	*			trans	-86.6	169.2	-166.4	-37.8	-90.6	0	0	0	116
729	Y	29.1	Very low	28.8	Very low	226 Å²	226	148.2 Å²	148.2	89%	0.886	77%	0.769	S	S	*	*				-176.1	173.8	118.1	-116.5	-98.7	0	0	0	113.5
730	E	28.7	Very low	28.5	Very low	146 Å²	146	146.7 Å²	146.7	68%	0.682	77%	0.765	S	S	*	*			trans	-113.4	-179	-162.6	-44.4	-173.4	111.6	0	0	118.2
731	Q	27.7	Very low	28.4	Very low	162 Å²	162	146.1 Å²	146.1	76%	0.757	77%	0.766	S	S	*	*			trans	70.6	119.2	148.8	-69.9	178.5	52.1	0	0	121.5
732	S	30.3	Very low	27.9	Very low	115 Å²	115	144 Å²	144	80%	0.804	76%	0.759	S	S	*	*				172.7	132.5	101	47.6	0	0	0	0	117.3
733	Q	30	Very low	27.7	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.752	76%	0.756	S	S	*	*			trans	32.2	135.8	144.6	-52.2	-154.4	35.6	0	0	126.6
734	Q	28.9	Very low	27.5	Very low	149 Å²	149	144.8 Å²	144.8	70%	0.696	76%	0.763	S	S	*	*			trans	45	132.5	135.4	-54.2	179.5	9.1	0	0	120.7
735	N	31.8	Very low	27.7	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	76%	0.764	S	S	*	*				-170.5	150.5	65.3	-116.7	-54.4	0	0	0	116.5
736	N	31.8	Very low	27.8	Very low	134 Å²	134	142.8 Å²	142.8	72%	0.717	76%	0.76	S	S	*	*			trans	36.4	125.8	147.8	-80.3	-47.9	0	0	0	126.9
737	K	28.2	Very low	27.8	Very low	197 Å²	197	144.3 Å²	144.3	86%	0.857	76%	0.764	S	S	*	*			trans	81.7	152.6	141.7	-72.6	-173.4	176.3	-178.6	0	122.1
738	P	29.2	Very low	27.8	Very low	110 Å²	110	146.8 Å²	146.8	71%	0.714	77%	0.771	S	S	*	*			trans	-128.9	153.5	-161.5	40.3	-23.4	0	0	0	116.9
739	L	25.5	Very low	27.8	Very low	164 Å²	164	148 Å²	148	86%	0.859	78%	0.776	S	S	*	*			trans	-163.4	124.4	150.8	-136.4	69.2	0	0	0	113.8
740	V	24	Very low	27.7	Very low	115 Å²	115	140.8 Å²	140.8	70%	0.697	77%	0.77	S	S	*	*			trans	52.4	122.9	133.2	174.1	0	0	0	0	122.3
741	T	23.3	Very low	27.5	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	78%	0.779	S	S	*	*			trans	80.5	138.1	151.9	42.3	0	0	0	0	125.3
742	V	23.7	Very low	27.3	Very low	117 Å²	117	143.4 Å²	143.4	71%	0.709	78%	0.784	S	S	*	*			trans	81.9	117.8	140.7	166.8	0	0	0	0	121.1
743	N	23.1	Very low	27	Very low	137 Å²	137	145.1 Å²	145.1	73%	0.733	78%	0.784	S	S	*	*			trans	23.8	124.7	145.7	-46.9	-13.4	0	0	0	120.7
744	T	28.3	Very low	27	Very low	147 Å²	147	140.5 Å²	140.5	90%	0.902	77%	0.767	S	S	*	*				-170.9	165.8	101.8	28.5	0	0	0	0	112.4
745	I	28.3	Very low	26.7	Very low	149 Å²	149	139.7 Å²	139.7	76%	0.764	76%	0.762	S	S	*	*			trans	-108.6	158.4	168.9	-31.8	177.6	0	0	0	107.5
746	P	30.2	Very low	26.5	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	77%	0.77	S	S	*	*				-142	174.5	112.2	37.6	-23.6	0	0	0	115
747	D	25.6	Very low	26.3	Very low	143 Å²	143	139.5 Å²	139.5	77%	0.765	78%	0.775	S	S	*	*			trans	-85.2	164.4	-172	-46.9	-98.3	0	0	0	114.8
748	E	30.2	Very low	26.3	Very low	198 Å²	198	137.1 Å²	137.1	93%	0.925	78%	0.777	S	S	*	*				-164.6	162.5	129.5	-111.5	169.1	-159.6	0	0	111.4
749	I	25.4	Very low	26.1	Very low	166 Å²	166	135.3 Å²	135.3	85%	0.851	78%	0.778	S	S	*	*			trans	-136	137.7	-168.9	-62.7	176	0	0	0	110.6
750	G	27.9	Very low	26.1	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	78%	0.777	S	S	*	*			trans	-143.9	140.9	170	0	0	0	0	0	111.2
751	E	24.7	Very low	26.3	Very low	187 Å²	187	139.7 Å²	139.7	87%	0.874	78%	0.781	S	S	*	*			trans	-83.4	154.2	-163.1	-55.3	176.6	112.3	0	0	115.5
752	M	23	Very low	26.5	Very low	176 Å²	176	144.9 Å²	144.9	87%	0.867	79%	0.787	S	S	*	*			trans	-159.5	158.7	139.7	-94.2	-55.7	160.4	0	0	110.5
753	L	23.7	Very low	26.5	Very low	152 Å²	152	146.1 Å²	146.1	80%	0.796	78%	0.783	S	S	*	*			trans	-122.4	176.5	-179.9	-71.8	164.9	0	0	0	108.7
754	P	29.5	Very low	26.6	Very low	63 Å²	63	143.5 Å²	143.5	41%	0.409	77%	0.769	S	S	.	*			cis	-153.8	-168.3	23.8	41.4	-16.1	0	0	0	119.3	T623	T623-P754 PolarHBondContact OG1-O 3.25Å
755	K	24.2	Very low	26.6	Very low	133 Å²	133	145 Å²	145	58%	0.578	76%	0.758	S	S	*	*			trans	60.7	133.8	160.3	-47.9	-161.1	-151.9	82.2	0	122.5	D624	D624-K755 WeakPolarHBondContact OD1-CD 3.33Å; D624-K755 IonicContact OD1-NZ 3.57Å; D624-K755 PolarHBondContact OD1-NZ 2.91Å; D624-K755 VanDerWaalsContact OD2-CB 3.28Å; D624-K755 WeakPolarHBondContact OD2-CB 3.44Å; D624-K755 VanDerWaalsContact OD2-CD 3.29Å; D624-K755 WeakPolarHBondContact OD2-CD 3.32Å; D624-K755 WeakPolarHBondContact OD2-CG 3.48Å; D624-K755 IonicContact OD2-NZ 2.96Å; D624-K755 PolarHBondContact OD2-NZ 2.8Å
756	V	27.1	Very low	26.7	Very low	142 Å²	142	149.1 Å²	149.1	86%	0.861	76%	0.764	S	S	*	*			trans	-147.6	145.9	166.9	177.8	0	0	0	0	109.7
757	S	28.1	Very low	26.8	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	74%	0.744	S	S	*	*			trans	-95.6	161.6	176.6	58.7	0	0	0	0	113.4
758	T	27	Very low	27.1	Very low	146 Å²	146	145.9 Å²	145.9	90%	0.896	73%	0.731	S	S	*	*			trans	-105.6	136.5	-160.5	53.8	0	0	0	0	116
759	G	24.7	Very low	26.8	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	70%	0.704	S	S	*	*			trans	-145.7	131.3	165.6	0	0	0	0	0	110.2
760	R	26.7	Very low	26.8	Very low	223 Å²	223	135.7 Å²	135.7	84%	0.842	70%	0.699	S	S	*	*			trans	-89.2	112.1	-169.7	-67	-173.4	-177	-171.9	2	112.9
761	L	26.9	Very low	26.8	Very low	149 Å²	149	141.3 Å²	141.3	78%	0.78	70%	0.698	S	S	*	*			trans	-87.1	132.2	163.3	-91.3	147.2	0	0	0	110.8
762	W	27.6	Very low	26.9	Very low	233 Å²	233	142.2 Å²	142.2	88%	0.883	69%	0.693	S	S	*	*			trans	-105.2	135.3	166.5	-84.6	76.5	0	0	0	110.2
763	F	24.6	Very low	27.3	Very low	143 Å²	143	138.7 Å²	138.7	63%	0.627	67%	0.674	S	S	*	*			trans	-104.9	104.9	-179.7	-84.4	-76.9	0	0	0	111.8	R765	F763-R765 HydrophobicContact CB-CB 4.46Å; F763-R765 HydrophobicContact CD1-CG 3.97Å; F763-R765 PolarHBondContact O-N 2.92Å
764	D	26	Very low	27.6	Very low	82 Å²	82	136.1 Å²	136.1	44%	0.439	66%	0.658	S	S	.	*			trans	-94.8	69.9	158.9	-168.2	-4.9	0	0	0	110.3	R157 R766	R157-D764 IonicContact NH1-OD2 2.68Å; R157-D764 PolarHBondContact NH1-OD2 3Å; D764-R766 PolarHBondContact O-N 3.1Å
765	R	27.6	Very low	27.6	Very low	179 Å²	179	136 Å²	136	68%	0.675	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	13.2	-163.6	-136.9	-179.2	-137.4	-130.3	5.2	115.4	F763	F763-R765 HydrophobicContact CB-CB 4.46Å; F763-R765 HydrophobicContact CD1-CG 3.97Å; F763-R765 PolarHBondContact O-N 2.92Å
766	R	29.7	Very low	28	Very low	234 Å²	234	131.3 Å²	131.3	88%	0.883	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	-14.1	-169.8	-81	-173.9	-76.4	-155	-4.4	116.6	D764	D764-R766 PolarHBondContact O-N 3.1Å
767	I	33.6	Very low	28	Very low	73 Å²	73	126.3 Å²	126.3	37%	0.374	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	-37.2	159.4	-60.7	178.6	0	0	0	109.1
768	Y	30.1	Very low	28.1	Very low	123 Å²	123	126 Å²	126	48%	0.482	60%	0.595	S	S	.	*	S	Bend	trans	-99.8	89.4	166.8	-67.6	-72.1	0	0	0	110.4	D984	Y768-D984 PolarHBondContact OH-OD1 2.95Å; Y768-D984 PolarHBondContact OH-OD2 2.86Å
769	G	25.2	Very low	28.2	Very low	35 Å²	35	121.4 Å²	121.4	36%	0.361	57%	0.572	S	S	.	*			trans	-63	169.3	159.5	0	0	0	0	0	111.2	W771	G769-W771 VanDerWaalsContact C-N 3.29Å; G769-W771 PolarHBondContact O-N 3.38Å
770	P	25.4	Very low	28.4	Very low	115 Å²	115	119.5 Å²	119.5	75%	0.747	55%	0.547	S	S	*	.	S	Bend	trans	-73.1	74.9	-166.8	31	-37	0	0	0	113.6	H773	P770-H773 PolarHBondContact O-CE1 3.46Å; P770-H773 VanDerWaalsContact O-CE1 3.31Å
771	W	28	Very low	28.4	Very low	192 Å²	192	115.5 Å²	115.5	73%	0.727	53%	0.532	S	S	*	.			trans	-103.8	27.3	168.5	-68.4	87.2	0	0	0	112.5	G769 H773	G769-W771 VanDerWaalsContact C-N 3.29Å; G769-W771 PolarHBondContact O-N 3.38Å; W771-H773 AromaticContact CD2-CE1 3.83Å; W771-H773 AromaticContact CD2-ND1 3.45Å; W771-H773 AromaticContact CE3-CE1 3.68Å; W771-H773 AromaticContact CE3-ND1 3.02Å; W771-H773 AromaticContact CZ3-CE1 3.77Å; W771-H773 AromaticContact CZ3-ND1 3.38Å; W771-H773 WeakPolarHBondContact CZ3-ND1 3.29Å; W771-H773 PolarHBondContact O-N 2.92Å
772	R	25.7	Very low	28.4	Very low	206 Å²	206	116.1 Å²	116.1	78%	0.777	52%	0.524	S	S	*	.			trans	-72.5	55.3	144.4	-71.6	-170.6	-179.5	-120.5	-2	109.4	H774	R772-H774 VanDerWaalsContact C-N 3.25Å; R772-H774 PolarHBondContact O-N 3Å
773	H	31.5	Very low	28.5	Very low	101 Å²	101	106.7 Å²	106.7	47%	0.468	50%	0.495	S	S	.	.			trans	-73	92	165.5	-77.7	109.4	0	0	0	107	P770 W771	P770-H773 PolarHBondContact O-CE1 3.46Å; P770-H773 VanDerWaalsContact O-CE1 3.31Å; W771-H773 AromaticContact CD2-CE1 3.83Å; W771-H773 AromaticContact CD2-ND1 3.45Å; W771-H773 AromaticContact CE3-CE1 3.68Å; W771-H773 AromaticContact CE3-ND1 3.02Å; W771-H773 AromaticContact CZ3-CE1 3.77Å; W771-H773 AromaticContact CZ3-ND1 3.38Å; W771-H773 WeakPolarHBondContact CZ3-ND1 3.29Å; W771-H773 PolarHBondContact O-N 2.92Å
774	H	30.3	Very low	28.7	Very low	99 Å²	99	103.4 Å²	103.4	46%	0.458	48%	0.481	S	S	.	.			trans	-49.3	155.2	143.8	-65.7	-88.5	0	0	0	108.5	P551 R772 T776	P551-H774 HydrophobicContact CG-CB 4.31Å; P551-H774 WeakPolarHBondContact CG-ND1 3.05Å; R772-H774 VanDerWaalsContact C-N 3.25Å; R772-H774 PolarHBondContact O-N 3Å; H774-T776 PolarHBondContact O-N 2.7Å
775	V	30.6	Very low	28.7	Very low	60 Å²	60	107.6 Å²	107.6	36%	0.364	49%	0.491	S	S	.	.			trans	-61.5	91.2	167.3	179.5	0	0	0	0	107.7	S550 S780	S550-V775 PolarHBondContact OG-O 2.86Å; V775-S780 WeakPolarHBondContact CG1-OG 3.45Å
776	T	31.7	Very low	28.7	Very low	34 Å²	34	103.1 Å²	103.1	21%	0.209	48%	0.48	C	S	.	.			trans	-68.6	137.3	172.6	60.8	0	0	0	0	106.8	H774 E778 A779 S780	H774-T776 PolarHBondContact O-N 2.7Å; T776-E778 PolarHBondContact O-N 2.76Å; T776-A779 PolarHBondContact O-N 2.95Å; T776-A779 VanDerWaalsContact OG1-CB 3.23Å; T776-A779 WeakPolarHBondContact OG1-CB 3.49Å; T776-A779 PolarHBondContact OG1-N 2.89Å; T776-S780 PolarHBondContact O-N 2.96Å; T776-S780 VanDerWaalsContact O-N 3.14Å
777	P	27.8	Very low	28.7	Very low	38 Å²	38	97.3 Å²	97.3	25%	0.247	47%	0.472	C	S	.	.	H	α-helix	trans	-57	-17.6	176	-26.7	35.3	0	0	0	113.1	R781	P777-R781 VanDerWaalsContact CB-NH2 3.33Å; P777-R781 WeakPolarHBondContact O-CB 3.4Å; P777-R781 VanDerWaalsContact O-CG 3.29Å; P777-R781 WeakPolarHBondContact O-CG 3.41Å; P777-R781 PolarHBondContact O-N 2.85Å; P777-R781 VanDerWaalsContact O-N 3.13Å; P777-R781 PolarHBondContact O-NE 2.79Å
778	E	28.6	Very low	28.5	Very low	108 Å²	108	100.1 Å²	100.1	51%	0.505	49%	0.488	S	S	.	.	H	α-helix	trans	-83.2	-35.3	173.9	-155.7	-177.5	167.3	0	0	113.7	T776 R781 R782	T776-E778 PolarHBondContact O-N 2.76Å; E778-R781 PolarHBondContact O-N 3.48Å; E778-R782 HydrophobicContact CG-CG 4.48Å; E778-R782 VanDerWaalsContact O-CB 3.29Å; E778-R782 WeakPolarHBondContact O-CB 3.42Å; E778-R782 WeakPolarHBondContact O-CG 3.29Å; E778-R782 PolarHBondContact O-N 3.05Å; E778-R782 IonicContact OE1-CZ 2.83Å; E778-R782 VanDerWaalsContact OE1-CZ 3.31Å; E778-R782 IonicContact OE1-NE 3.31Å; E778-R782 PolarHBondContact OE1-NE 2.93Å; E778-R782 VanDerWaalsContact OE1-NE 3.15Å; E778-R782 IonicContact OE1-NH2 3.27Å; E778-R782 PolarHBondContact OE1-NH2 3.22Å
779	A	29.4	Very low	28.4	Very low	51 Å²	51	99.3 Å²	99.3	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-66.1	-40.3	171.2	0	0	0	0	0	111	T776 A783	T776-A779 PolarHBondContact O-N 2.95Å; T776-A779 VanDerWaalsContact OG1-CB 3.23Å; T776-A779 WeakPolarHBondContact OG1-CB 3.49Å; T776-A779 PolarHBondContact OG1-N 2.89Å; A779-A783 PolarHBondContact O-N 3.01Å; A779-A783 VanDerWaalsContact O-N 3.08Å
780	S	29.2	Very low	28.7	Very low	31 Å²	31	103.4 Å²	103.4	22%	0.217	51%	0.506	C	S	.	.	H	α-helix	trans	-58.7	-54.7	169.5	-59.1	0	0	0	0	111.1	V775 T776 R782 A783 F784	V775-S780 WeakPolarHBondContact CG1-OG 3.45Å; T776-S780 PolarHBondContact O-N 2.96Å; T776-S780 VanDerWaalsContact O-N 3.14Å; S780-R782 PolarHBondContact O-N 2.82Å; S780-A783 WeakPolarHBondContact O-CB 3.1Å; S780-A783 PolarHBondContact O-N 2.98Å; S780-A783 VanDerWaalsContact O-N 3.09Å; S780-F784 WeakPolarHBondContact O-CD2 3.49Å
781	R	26.8	Very low	29	Very low	139 Å²	139	104.4 Å²	104.4	53%	0.525	51%	0.505	S	S	.	.	H	α-helix	trans	-59	-41.4	-179.9	-83.2	174.1	-107.5	-155.2	-16.1	113.5	P777 E778 A783 F784 W785	P777-R781 VanDerWaalsContact CB-NH2 3.33Å; P777-R781 WeakPolarHBondContact O-CB 3.4Å; P777-R781 VanDerWaalsContact O-CG 3.29Å; P777-R781 WeakPolarHBondContact O-CG 3.41Å; P777-R781 PolarHBondContact O-N 2.85Å; P777-R781 VanDerWaalsContact O-N 3.13Å; P777-R781 PolarHBondContact O-NE 2.79Å; E778-R781 PolarHBondContact O-N 3.48Å; R781-A783 VanDerWaalsContact C-N 3.29Å; R781-A783 PolarHBondContact O-N 3.1Å; R781-F784 PolarHBondContact O-N 3.15Å; R781-F784 VanDerWaalsContact O-N 3.07Å; R781-W785 PolarHBondContact O-N 2.91Å
782	R	27.6	Very low	29.3	Very low	163 Å²	163	101.9 Å²	101.9	62%	0.615	51%	0.505	S	S	*	.	H	α-helix	trans	-67.5	-27.8	177	-71.7	173.5	-175.4	-146.5	7.4	112.7	E778 S780 F784	E778-R782 HydrophobicContact CG-CG 4.48Å; E778-R782 VanDerWaalsContact O-CB 3.29Å; E778-R782 WeakPolarHBondContact O-CB 3.42Å; E778-R782 WeakPolarHBondContact O-CG 3.29Å; E778-R782 PolarHBondContact O-N 3.05Å; E778-R782 IonicContact OE1-CZ 2.83Å; E778-R782 VanDerWaalsContact OE1-CZ 3.31Å; E778-R782 IonicContact OE1-NE 3.31Å; E778-R782 PolarHBondContact OE1-NE 2.93Å; E778-R782 VanDerWaalsContact OE1-NE 3.15Å; E778-R782 IonicContact OE1-NH2 3.27Å; E778-R782 PolarHBondContact OE1-NH2 3.22Å; S780-R782 PolarHBondContact O-N 2.82Å; R782-F784 PolarHBondContact O-N 2.99Å
783	A	29.5	Very low	29.5	Very low	34 Å²	34	99.2 Å²	99.2	28%	0.281	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-20.5	171.5	0	0	0	0	0	113	A779 S780 R781 K841	A779-A783 PolarHBondContact O-N 3.01Å; A779-A783 VanDerWaalsContact O-N 3.08Å; S780-A783 WeakPolarHBondContact O-CB 3.1Å; S780-A783 PolarHBondContact O-N 2.98Å; S780-A783 VanDerWaalsContact O-N 3.09Å; R781-A783 VanDerWaalsContact C-N 3.29Å; R781-A783 PolarHBondContact O-N 3.1Å; A783-K841 WeakPolarHBondContact O-CE 3.43Å; A783-K841 PolarHBondContact O-NZ 2.98Å
784	F	28.9	Very low	29.5	Very low	75 Å²	75	97.6 Å²	97.6	33%	0.329	51%	0.509	S	S	.	.	H	α-helix	trans	-94.4	-25	179	-71	-69.7	0	0	0	114.7	S780 R781 R782 K841	S780-F784 WeakPolarHBondContact O-CD2 3.49Å; R781-F784 PolarHBondContact O-N 3.15Å; R781-F784 VanDerWaalsContact O-N 3.07Å; R782-F784 PolarHBondContact O-N 2.99Å; F784-K841 WeakPolarHBondContact O-CE 3.43Å
785	W	25.9	Very low	29.6	Very low	170 Å²	170	101.6 Å²	101.6	64%	0.644	53%	0.525	S	S	*	.			trans	-74.3	152.3	177.4	-87.4	70.2	0	0	0	114	R781 K841	R781-W785 PolarHBondContact O-N 2.91Å; W785-K841 PolarHBondContact O-NZ 3.31Å
786	L	27.4	Very low	29.6	Very low	85 Å²	85	110.5 Å²	110.5	45%	0.445	55%	0.552	S	S	.	*			trans	-129.6	157	163	-79.4	169.8	0	0	0	107.8	K841	L786-K841 HydrophobicContact CD1-CD 4.19Å; L786-K841 HydrophobicContact CG-CD 4.23Å
787	P	30	Very low	29.3	Very low	111 Å²	111	113.6 Å²	113.6	72%	0.721	58%	0.576	S	S	*	*			trans	-63	160.1	161	-15	30.8	0	0	0	110.8	D789	P787-D789 PolarHBondContact O-N 2.71Å; P787-D789 VanDerWaalsContact O-N 3.11Å
788	D	29.1	Very low	29.4	Very low	133 Å²	133	117.1 Å²	117.1	71%	0.711	60%	0.601	S	S	*	*			trans	-66.2	106.5	-172.2	-54.5	-79.9	0	0	0	114	N790	D788-N790 PolarHBondContact O-N 3.4Å
789	D	29	Very low	29.7	Very low	106 Å²	106	122.3 Å²	122.3	57%	0.567	62%	0.622	S	S	*	*			trans	-72.1	40	173.4	-92.1	-43	0	0	0	113.4	P787 D791	P787-D789 PolarHBondContact O-N 2.71Å; P787-D789 VanDerWaalsContact O-N 3.11Å; D789-D791 VanDerWaalsContact C-N 3.31Å; D789-D791 PolarHBondContact O-N 3.45Å
790	N	29.9	Very low	29.7	Very low	120 Å²	120	129 Å²	129	64%	0.642	64%	0.642	S	S	*	*	H	α-helix	trans	-66.7	-26.9	-177.5	-85.7	-45	0	0	0	113.6	D788 L792	D788-N790 PolarHBondContact O-N 3.4Å; N790-L792 PolarHBondContact O-N 3.04Å
791	D	32.8	Very low	29.8	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	67%	0.671	S	S	*	*	H	α-helix	trans	-77	-16.1	-175.6	-81.4	-37.2	0	0	0	115	D789	D789-D791 VanDerWaalsContact C-N 3.31Å; D789-D791 PolarHBondContact O-N 3.45Å
792	L	33.5	Very low	30.1	Very low	139 Å²	139	132.6 Å²	132.6	73%	0.728	68%	0.681	S	S	*	*	H	α-helix	trans	-99.6	-19.9	-176.3	-70.5	177.9	0	0	0	114.5	N790	N790-L792 PolarHBondContact O-N 3.04Å
793	L	31.2	Very low	30.1	Very low	149 Å²	149	129.5 Å²	129.5	78%	0.78	69%	0.685	S	S	*	*	H	α-helix	trans	-84.4	-19.8	174.3	-75.9	167.9	0	0	0	113.3	K795	L793-K795 PolarHBondContact O-N 3.06Å; L793-K795 VanDerWaalsContact O-N 3.12Å
794	A	31.3	Very low	30.2	Very low	67 Å²	67	135.3 Å²	135.3	55%	0.554	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-9	-176.8	0	0	0	0	0	115.7
795	K	31.1	Very low	30.1	Very low	183 Å²	183	141.8 Å²	141.8	80%	0.796	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	18.2	-172	-73.7	179	177.9	168.7	0	115.7	L793	L793-K795 PolarHBondContact O-N 3.06Å; L793-K795 VanDerWaalsContact O-N 3.12Å
796	R	30.2	Very low	30.2	Very low	247 Å²	247	141.9 Å²	141.9	93%	0.932	75%	0.746	S	S	*	*	S	Bend	trans	-132.4	42.8	176.4	-79.9	-169.3	168.5	-172.6	-2.6	114.6
797	S	27.4	Very low	30.3	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	76%	0.761	S	S	*	*			trans	-145	32.6	-174.4	51.1	0	0	0	0	116.2
798	S	29.9	Very low	30.2	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	77%	0.766	S	S	*	*			trans	-144.9	90.7	177.4	54.2	0	0	0	0	116.4
799	K	32.9	Very low	30.2	Very low	217 Å²	217	145.7 Å²	145.7	94%	0.943	77%	0.773	S	S	*	*			trans	179.1	117.3	130.9	-99.3	163.3	-175.4	177.7	0	111.3
800	K	30.3	Very low	30.2	Very low	191 Å²	191	144.6 Å²	144.6	83%	0.83	78%	0.778	S	S	*	*			trans	-84.7	148	162.5	-62.3	177.2	178.5	176.4	0	109
801	N	32.1	Very low	30.2	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	79%	0.789	S	S	*	*				167.4	162.1	116.3	-85.4	-12.8	0	0	0	113.6
802	A	32	Very low	30.1	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	80%	0.797	S	S	*	*			trans	63.9	81.5	156.6	0	0	0	0	0	119.1
803	S	27.2	Very low	29.8	Very low	99 Å²	99	154 Å²	154	69%	0.692	81%	0.806	S	S	*	*				4.8	131.5	129.2	55.2	0	0	0	0	119.6
804	N	31.5	Very low	29.6	Very low	156 Å²	156	154.3 Å²	154.3	83%	0.834	81%	0.807	S	S	*	*				-159.4	160.1	105	-103.2	-26.2	0	0	0	113.1
805	Y	26.6	Very low	29.2	Very low	210 Å²	210	157.5 Å²	157.5	82%	0.824	82%	0.824	S	S	*	*			trans	-81.4	147.3	-176.7	-70.3	-105.9	0	0	0	112.4
806	I	29.9	Very low	29.1	Very low	173 Å²	173	153 Å²	153	89%	0.887	81%	0.812	S	S	*	*				-162.5	142.6	121.4	-98.4	152.8	0	0	0	108.3
807	T	28.8	Very low	29	Very low	123 Å²	123	148.5 Å²	148.5	76%	0.755	81%	0.806	S	S	*	*			trans	-88.3	134.3	-172	48.2	0	0	0	0	113
808	N	28.3	Very low	28.9	Very low	152 Å²	152	151.4 Å²	151.4	81%	0.813	81%	0.814	S	S	*	*			trans	-149.3	112.8	152.8	-142.8	-4.4	0	0	0	110.1	A810	N808-A810 PolarHBondContact O-N 2.81Å; N808-A810 VanDerWaalsContact O-N 3.15Å
809	P	27.7	Very low	28.7	Very low	133 Å²	133	152.9 Å²	152.9	86%	0.864	81%	0.812	S	S	*	*			trans	-91.6	71.2	-166.6	36.1	-35.9	0	0	0	113.1
810	A	29.8	Very low	28.4	Very low	83 Å²	83	147.9 Å²	147.9	69%	0.686	80%	0.802	S	S	*	*			trans	-144.8	155.8	167.2	0	0	0	0	0	110.7	N808	N808-A810 PolarHBondContact O-N 2.81Å; N808-A810 VanDerWaalsContact O-N 3.15Å
811	E	30	Very low	28.2	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	80%	0.802	S	S	*	*			trans	54.7	72	165.4	-55.8	-167.4	153.6	0	0	117.8
812	N	30	Very low	27.9	Very low	171 Å²	171	143.5 Å²	143.5	91%	0.914	80%	0.801	S	S	*	*			trans	-154.2	116.1	135.8	-102.5	-58	0	0	0	110.2
813	R	27	Very low	27.9	Very low	240 Å²	240	144.2 Å²	144.2	91%	0.906	80%	0.8	S	S	*	*			trans	-101.2	162	-177.5	-86.6	-178.5	166.5	175.5	-3.7	111.4
814	L	26.7	Very low	28	Very low	155 Å²	155	143.2 Å²	143.2	81%	0.812	81%	0.806	S	S	*	*			trans	76	44.8	168.1	-64	156.8	0	0	0	117	V816	L814-V816 HydrophobicContact CD2-CG2 3.99Å
815	C	24.5	Very low	28.2	Very low	133 Å²	133	139.4 Å²	139.4	90%	0.899	79%	0.791	S	S	*	*			trans	-84.3	121.7	136.7	-63.3	0	0	0	0	108
816	V	28.9	Very low	28.6	Very low	89 Å²	89	135 Å²	135	54%	0.539	78%	0.782	S	S	.	*			trans	-132.5	64.6	176.8	-167.3	0	0	0	0	110.2	L814 L819	L814-V816 HydrophobicContact CD2-CG2 3.99Å; V816-L819 HydrophobicContact CG1-CD1 4.21Å
817	N	26.9	Very low	28.8	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	77%	0.768	S	S	*	*	S	Bend	trans	-97.1	139.1	148.6	-70.8	-10.4	0	0	0	106.2
818	N	26.1	Very low	29	Very low	161 Å²	161	129.9 Å²	129.9	86%	0.861	75%	0.751	S	S	*	*			trans	65.5	81.3	-175.5	-51.1	-17.9	0	0	0	115.3
819	L	25.9	Very low	29.3	Very low	144 Å²	144	124 Å²	124	75%	0.754	72%	0.723	S	S	*	*			trans	-120.1	135.3	142.9	-108.4	91.2	0	0	0	108.9	V816	V816-L819 HydrophobicContact CG1-CD1 4.21Å
820	P	25.5	Very low	29.4	Very low	111 Å²	111	123.2 Å²	123.2	72%	0.721	71%	0.71	S	S	*	*			trans	-74.8	162.5	178.1	32.2	-35.5	0	0	0	112	L822	P820-L822 PolarHBondContact O-N 3.23Å
821	A	26.6	Very low	29.7	Very low	101 Å²	101	122.8 Å²	122.8	84%	0.835	70%	0.695	S	S	*	*			trans	-68	109.9	-177.7	0	0	0	0	0	112.4
822	L	26.7	Very low	30.1	Very low	154 Å²	154	116 Å²	116	81%	0.806	66%	0.663	S	S	*	*			trans	-152.6	121.8	169.8	-104.2	153.9	0	0	0	109.6	P820	P820-L822 PolarHBondContact O-N 3.23Å
823	S	30.6	Very low	30.4	Very low	105 Å²	105	110.1 Å²	110.1	73%	0.734	64%	0.639	S	S	*	*			trans	60.1	119	-175.6	75.8	0	0	0	0	116.4	S825	S823-S825 PolarHBondContact O-N 3.19Å
824	G	30.4	Very low	31	Very low	78 Å²	78	106.4 Å²	106.4	80%	0.804	63%	0.629	S	S	*	*			trans	-77.1	65.7	168.9	0	0	0	0	0	111.7
825	S	34.7	Very low	31.7	Very low	75 Å²	75	101.7 Å²	101.7	52%	0.524	60%	0.603	S	S	.	*			trans	-60.4	159.2	-175	66	0	0	0	0	113.6	S823 L827	S823-S825 PolarHBondContact O-N 3.19Å; S825-L827 PolarHBondContact O-N 2.98Å
826	D	34.9	Very low	32.4	Very low	118 Å²	118	95.8 Å²	95.8	63%	0.631	57%	0.565	S	S	*	*	H	α-helix	trans	-57.3	-17.3	-170	-76.2	-64.3	0	0	0	115.5	D828 A829 M830	D826-D828 VanDerWaalsContact C-N 3.26Å; D826-D828 PolarHBondContact O-N 2.79Å; D826-A829 CarbonylContact O-C 3.53Å; D826-A829 PolarHBondContact O-N 3.04Å; D826-M830 HydrophobicContact CB-CG 4.4Å; D826-M830 HydrophobicContact CB-SD 4.26Å; D826-M830 WeakPolarHBondContact O-CB 3.31Å; D826-M830 VanDerWaalsContact O-CG 3.26Å; D826-M830 WeakPolarHBondContact O-CG 3.44Å; D826-M830 PolarHBondContact O-N 2.97Å
827	L	34.1	Very low	33.1	Very low	113 Å²	113	91.7 Å²	91.7	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-56	-38.7	-176.6	-167.8	66.1	0	0	0	113	S825 M830 L831	S825-L827 PolarHBondContact O-N 2.98Å; L827-M830 PolarHBondContact O-N 3.05Å; L827-L831 WeakPolarHBondContact O-CB 3.45Å; L827-L831 VanDerWaalsContact O-CG 3.28Å; L827-L831 WeakPolarHBondContact O-CG 3.49Å; L827-L831 PolarHBondContact O-N 3.48Å
828	D	34.1	Very low	34	Very low	75 Å²	75	84.7 Å²	84.7	40%	0.401	50%	0.503	S	S	.	.	H	α-helix	trans	-68.9	-41.5	177	-119.6	14.5	0	0	0	111.6	D826 L831 F832 R864	D826-D828 VanDerWaalsContact C-N 3.26Å; D826-D828 PolarHBondContact O-N 2.79Å; D828-L831 PolarHBondContact O-N 3.09Å; D828-F832 PolarHBondContact O-N 3.18Å; D828-R864 VanDerWaalsContact CG-NH2 3.25Å; D828-R864 IonicContact OD1-NH2 2.91Å; D828-R864 PolarHBondContact OD1-NH2 2.63Å; D828-R864 IonicContact OD2-CZ 3.03Å; D828-R864 IonicContact OD2-NE 2.72Å; D828-R864 PolarHBondContact OD2-NE 3.23Å; D828-R864 IonicContact OD2-NH2 3.18Å; D828-R864 PolarHBondContact OD2-NH2 3Å
829	A	33.4	Very low	35	Very low	28 Å²	28	78.9 Å²	78.9	23%	0.231	47%	0.471	C	S	.	.	H	α-helix	trans	-69.4	-35.3	176.1	0	0	0	0	0	111.7	D826 A833	D826-A829 CarbonylContact O-C 3.53Å; D826-A829 PolarHBondContact O-N 3.04Å; A829-A833 WeakPolarHBondContact O-CB 3.4Å; A829-A833 PolarHBondContact O-N 3.39Å
830	M	30.4	Very low	35.5	Very low	118 Å²	118	73 Å²	73	58%	0.581	44%	0.442	S	S	*	.	H	α-helix	trans	-67.1	-39.4	171.9	-74	173.3	61.8	0	0	111.3	D826 L827 A833 K834	D826-M830 HydrophobicContact CB-CG 4.4Å; D826-M830 HydrophobicContact CB-SD 4.26Å; D826-M830 WeakPolarHBondContact O-CB 3.31Å; D826-M830 VanDerWaalsContact O-CG 3.26Å; D826-M830 WeakPolarHBondContact O-CG 3.44Å; D826-M830 PolarHBondContact O-N 2.97Å; L827-M830 PolarHBondContact O-N 3.05Å; M830-A833 CarbonylContact O-C 3.58Å; M830-A833 PolarHBondContact O-N 2.88Å; M830-K834 WeakPolarHBondContact O-CB 3.36Å; M830-K834 PolarHBondContact O-N 2.98Å
831	L	36	Very low	36.2	Very low	73 Å²	73	70.5 Å²	70.5	38%	0.382	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-51.2	173.2	-77.1	167.1	0	0	0	110.5	L827 D828 A833 K834 H835	L827-L831 WeakPolarHBondContact O-CB 3.45Å; L827-L831 VanDerWaalsContact O-CG 3.28Å; L827-L831 WeakPolarHBondContact O-CG 3.49Å; L827-L831 PolarHBondContact O-N 3.48Å; D828-L831 PolarHBondContact O-N 3.09Å; L831-A833 VanDerWaalsContact C-N 3.27Å; L831-A833 PolarHBondContact O-N 2.76Å; L831-K834 WeakPolarHBondContact O-CB 3.47Å; L831-K834 PolarHBondContact O-N 3.03Å; L831-K834 VanDerWaalsContact O-N 3.08Å; L831-H835 PolarHBondContact O-CD2 3.35Å; L831-H835 PolarHBondContact O-N 3.46Å
832	F	39.5	Very low	36.7	Very low	41 Å²	41	71 Å²	71	18%	0.18	42%	0.417	C	S	.	.	H	α-helix	trans	-57.1	-39.8	174.3	-176.9	-111.2	0	0	0	112.4	D828 H835 G836 G837 I839 A868 K872	D828-F832 PolarHBondContact O-N 3.18Å; F832-H835 CarbonylContact O-C 3.38Å; F832-G836 PolarHBondContact O-N 2.85Å; F832-G837 VanDerWaalsContact CZ-CA 3.47Å; F832-G837 PolarHBondContact O-N 2.88Å; F832-I839 HydrophobicContact CE2-CG1 4.11Å; F832-A868 HydrophobicContact CD1-CB 4.17Å; F832-A868 HydrophobicContact CD2-CB 4.08Å; F832-A868 HydrophobicContact CE1-CB 3.89Å; F832-A868 VanDerWaalsContact CE1-O 3.28Å; F832-A868 WeakPolarHBondContact CE1-O 3.49Å; F832-A868 HydrophobicContact CE2-CB 3.79Å; F832-A868 HydrophobicContact CG-CB 4.25Å; F832-A868 HydrophobicContact CZ-CB 3.68Å; F832-A868 WeakPolarHBondContact CZ-O 3.33Å; F832-K872 HydrophobicContact CZ-CB 4.43Å
833	A	34.8	Very low	37.4	Very low	49 Å²	49	66 Å²	66	41%	0.405	39%	0.393	S	S	.	.	H	α-helix	trans	-72.2	-30	175.8	0	0	0	0	0	114	A829 M830 L831 G836	A829-A833 WeakPolarHBondContact O-CB 3.4Å; A829-A833 PolarHBondContact O-N 3.39Å; M830-A833 CarbonylContact O-C 3.58Å; M830-A833 PolarHBondContact O-N 2.88Å; L831-A833 VanDerWaalsContact C-N 3.27Å; L831-A833 PolarHBondContact O-N 2.76Å; A833-G836 VanDerWaalsContact O-CA 3.26Å; A833-G836 WeakPolarHBondContact O-CA 3.4Å; A833-G836 PolarHBondContact O-N 2.82Å
834	K	39.5	Very low	37.3	Very low	162 Å²	162	63.5 Å²	63.5	70%	0.704	38%	0.384	S	S	*	.	H	α-helix	trans	-73.2	-34.1	174.9	-178.7	-178.7	180	-175.4	0	111.4	M830 L831 G836	M830-K834 WeakPolarHBondContact O-CB 3.36Å; M830-K834 PolarHBondContact O-N 2.98Å; L831-K834 WeakPolarHBondContact O-CB 3.47Å; L831-K834 PolarHBondContact O-N 3.03Å; L831-K834 VanDerWaalsContact O-N 3.08Å; K834-G836 PolarHBondContact O-N 3.1Å
835	H	42.2	Very low	37.9	Very low	55 Å²	55	61.1 Å²	61.1	26%	0.255	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	10	163.2	-60.8	-79.7	0	0	0	112.7	P117 G118 L831 F832 G837 V838 P840	P117-H835 CarbonylContact C-O 3.46Å; G118-H835 WeakPolarHBondContact CA-ND1 3.49Å; L831-H835 PolarHBondContact O-CD2 3.35Å; L831-H835 PolarHBondContact O-N 3.46Å; F832-H835 CarbonylContact O-C 3.38Å; H835-G837 PolarHBondContact O-N 2.93Å; H835-G837 VanDerWaalsContact O-N 3.11Å; H835-V838 PolarHBondContact O-N 3.29Å; H835-P840 HydrophobicContact CB-CG 4.1Å
836	G	40.1	Very low	38	Very low	10 Å²	10	64.2 Å²	64.2	10%	0.103	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	15.8	171.5	0	0	0	0	0	117.3	F832 A833 K834	F832-G836 PolarHBondContact O-N 2.85Å; A833-G836 VanDerWaalsContact O-CA 3.26Å; A833-G836 WeakPolarHBondContact O-CA 3.4Å; A833-G836 PolarHBondContact O-N 2.82Å; K834-G836 PolarHBondContact O-N 3.1Å
837	G	43	Very low	37.8	Very low	2 Å²	2	62.4 Å²	62.4	2%	0.021	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	9.8	-175.1	0	0	0	0	0	114.9	F832 H835 K872	F832-G837 VanDerWaalsContact CZ-CA 3.47Å; F832-G837 PolarHBondContact O-N 2.88Å; H835-G837 PolarHBondContact O-N 2.93Å; H835-G837 VanDerWaalsContact O-N 3.11Å; G837-K872 WeakPolarHBondContact O-CE 3.45Å; G837-K872 PolarHBondContact O-NZ 3.47Å
838	V	45.5	Very low	37.6	Very low	5 Å²	5	64 Å²	64	3%	0.03	36%	0.359	C	S	.	.			trans	-83	134.6	161.8	-172.8	0	0	0	0	107.9	P117 I500 H835 P840	P117-V838 WeakPolarHBondContact O-CG2 3.41Å; I500-V838 HydrophobicContact CG2-CG1 4.15Å; H835-V838 PolarHBondContact O-N 3.29Å; V838-P840 WeakPolarHBondContact O-CD 3.35Å
839	I	46.3	Very low	37.7	Very low	39 Å²	39	65.3 Å²	65.3	20%	0.2	36%	0.364	C	S	.	.			trans	-85.7	113.8	177.6	-61.2	162.7	0	0	0	107.6	F832 I845 L865	F832-I839 HydrophobicContact CE2-CG1 4.11Å; I839-I845 HydrophobicContact CG2-CD1 3.57Å; I839-L865 HydrophobicContact CD1-CD2 4.08Å; I839-L865 HydrophobicContact CG1-CD2 4.44Å; I839-L865 HydrophobicContact CG2-CD2 4.01Å
840	P	37.9	Very low	37.6	Very low	22 Å²	22	71.7 Å²	71.7	14%	0.143	40%	0.395	C	S	.	.			trans	-73.7	146.4	-174.9	-18.2	33.2	0	0	0	112.8	H835 V838 S842 V843	H835-P840 HydrophobicContact CB-CG 4.1Å; V838-P840 WeakPolarHBondContact O-CD 3.35Å; P840-S842 PolarHBondContact O-N 2.85Å; P840-V843 PolarHBondContact O-N 3.42Å
841	K	38.4	Very low	37.8	Very low	57 Å²	57	69.5 Å²	69.5	25%	0.248	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.5	170.6	-80	-166.8	176.2	-176.2	0	114.5	N499 A783 F784 W785 L786 V843	N499-K841 VanDerWaalsContact CG-NZ 3.3Å; N499-K841 PolarHBondContact OD1-NZ 2.96Å; A783-K841 WeakPolarHBondContact O-CE 3.43Å; A783-K841 PolarHBondContact O-NZ 2.98Å; F784-K841 WeakPolarHBondContact O-CE 3.43Å; W785-K841 PolarHBondContact O-NZ 3.31Å; L786-K841 HydrophobicContact CD1-CD 4.19Å; L786-K841 HydrophobicContact CG-CD 4.23Å; K841-V843 PolarHBondContact O-N 2.93Å
842	S	37.1	Very low	38	Very low	112 Å²	112	73.1 Å²	73.1	78%	0.783	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.3	175.5	63.3	0	0	0	0	113.6	P840	P840-S842 PolarHBondContact O-N 2.85Å
843	V	41.4	Very low	38.1	Very low	48 Å²	48	78.2 Å²	78.2	29%	0.291	44%	0.44	S	S	.	.	S	Bend	trans	-81.2	109.8	156.8	-167.4	0	0	0	0	105.2	P840 K841 I845 L861	P840-V843 PolarHBondContact O-N 3.42Å; K841-V843 PolarHBondContact O-N 2.93Å; V843-I845 HydrophobicContact CB-CD1 3.75Å; V843-I845 HydrophobicContact CB-CG1 4.12Å; V843-I845 HydrophobicContact CG1-CD1 3.73Å; V843-I845 HydrophobicContact CG1-CG1 3.81Å; V843-I845 WeakPolarHBondContact O-CG1 3.34Å; V843-I845 PolarHBondContact O-N 3.26Å; V843-L861 HydrophobicContact CG1-CD1 3.82Å
844	G	30.3	Very low	38.5	Very low	54 Å²	54	80.5 Å²	80.5	56%	0.557	45%	0.445	S	S	*	.			trans	-68.4	71.2	-171.1	0	0	0	0	0	113.7
845	I	42	Very low	38.9	Very low	27 Å²	27	79.2 Å²	79.2	14%	0.138	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	105.9	-171.8	-65.3	158.3	0	0	0	108.4	I839 V843 L865	I839-I845 HydrophobicContact CG2-CD1 3.57Å; V843-I845 HydrophobicContact CB-CD1 3.75Å; V843-I845 HydrophobicContact CB-CG1 4.12Å; V843-I845 HydrophobicContact CG1-CD1 3.73Å; V843-I845 HydrophobicContact CG1-CG1 3.81Å; V843-I845 WeakPolarHBondContact O-CG1 3.34Å; V843-I845 PolarHBondContact O-N 3.26Å; I845-L865 HydrophobicContact CD1-CD1 4.41Å; I845-L865 HydrophobicContact CD1-CD2 4.19Å
846	W	37.2	Very low	39.4	Very low	141 Å²	141	83.3 Å²	83.3	53%	0.534	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	34.9	-176.7	-42.3	93.1	0	0	0	117.3	I849	W846-I849 HydrophobicContact CB-CD1 4.24Å; W846-I849 HydrophobicContact CD2-CD1 3.87Å; W846-I849 HydrophobicContact CE3-CD1 3.17Å; W846-I849 HydrophobicContact CG-CD1 4.36Å; W846-I849 HydrophobicContact CZ3-CD1 3.71Å
847	S	30.5	Very low	40.2	Very low	80 Å²	80	85.4 Å²	85.4	56%	0.559	48%	0.483	S	S	*	.	S	Bend	trans	-100.6	140.8	156.4	-47.5	0	0	0	0	109.5	I849	S847-I849 PolarHBondContact O-N 2.88Å
848	D	29.3	Very low	41.2	Very low	147 Å²	147	89 Å²	89	79%	0.786	50%	0.501	S	S	*	.			trans	55.7	42.2	168.8	-57.5	-19.5	0	0	0	119.3	N850	D848-N850 PolarHBondContact O-N 3.43Å
849	I	37.4	Very low	42.4	Very low	101 Å²	101	94.5 Å²	94.5	52%	0.518	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	20	172.5	-72	165.1	0	0	0	113.5	W846 S847	W846-I849 HydrophobicContact CB-CD1 4.24Å; W846-I849 HydrophobicContact CD2-CD1 3.87Å; W846-I849 HydrophobicContact CE3-CD1 3.17Å; W846-I849 HydrophobicContact CG-CD1 4.36Å; W846-I849 HydrophobicContact CZ3-CD1 3.71Å; S847-I849 PolarHBondContact O-N 2.88Å
850	N	30.1	Very low	43.4	Very low	163 Å²	163	97.9 Å²	97.9	87%	0.872	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	16.7	-179.8	-79.5	-16.1	0	0	0	113.9	D848	D848-N850 PolarHBondContact O-N 3.43Å
851	S	36.2	Very low	44.8	Very low	71 Å²	71	98.8 Å²	98.8	50%	0.497	54%	0.544	S	S	.	.			trans	-103.9	120.8	170.3	62.1	0	0	0	0	110.9	D853	S851-D853 VanDerWaalsContact C-N 3.26Å; S851-D853 PolarHBondContact O-N 2.99Å
852	N	38.6	Very low	46.3	Very low	149 Å²	149	100 Å²	100	80%	0.797	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	0.3	-167.5	-81.9	-32.7	0	0	0	115.4
853	D	41.4	Very low	48.2	Very low	149 Å²	149	95.5 Å²	95.5	80%	0.797	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	4	-160	-62.9	-60.3	0	0	0	115.5	S851	S851-D853 VanDerWaalsContact C-N 3.26Å; S851-D853 PolarHBondContact O-N 2.99Å
854	N	44	Very low	49.7	Very low	96 Å²	96	98 Å²	98	51%	0.513	52%	0.522	S	S	.	.			trans	-118	20.6	-164.1	-88.9	-38.1	0	0	0	117.2	N856 S857	N854-N856 PolarHBondContact O-N 3.19Å; N854-S857 PolarHBondContact O-N 3.35Å; N854-S857 PolarHBondContact O-OG 2.94Å
855	N	48.4	Very low	51.9	Low	136 Å²	136	96.8 Å²	96.8	73%	0.727	50%	0.502	S	S	*	.	H	α-helix	trans	-44.5	-33.3	-173.6	-69.8	-37.5	0	0	0	116.7
856	N	51.7	Low	53.7	Low	141 Å²	141	95.5 Å²	95.5	75%	0.754	50%	0.496	S	S	*	.	H	α-helix	trans	-73.7	-24.8	179.2	-76.9	-1.2	0	0	0	114.8	N854 D858 F860	N854-N856 PolarHBondContact O-N 3.19Å; N856-D858 VanDerWaalsContact C-N 3.3Å; N856-F860 WeakPolarHBondContact O-CB 3.47Å; N856-F860 PolarHBondContact O-N 3.06Å
857	S	56.9	Low	55.9	Low	54 Å²	54	92.6 Å²	92.6	38%	0.378	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-36.1	177.3	54.1	0	0	0	0	111.7	N854 F860 L861	N854-S857 PolarHBondContact O-N 3.35Å; N854-S857 PolarHBondContact O-OG 2.94Å; S857-F860 PolarHBondContact O-N 2.89Å; S857-L861 VanDerWaalsContact O-CB 3.31Å; S857-L861 WeakPolarHBondContact O-CB 3.33Å; S857-L861 PolarHBondContact O-N 3.37Å
858	D	65.6	Low	58.2	Low	76 Å²	76	89.5 Å²	89.5	41%	0.406	46%	0.464	S	S	.	.	H	α-helix	trans	-80.3	-39.8	-166.9	-70.5	22.8	0	0	0	111.2	N856 L861 Q862	N856-D858 VanDerWaalsContact C-N 3.3Å; D858-L861 PolarHBondContact O-N 2.93Å; D858-Q862 WeakPolarHBondContact O-CB 3.25Å; D858-Q862 VanDerWaalsContact O-CG 3.22Å; D858-Q862 WeakPolarHBondContact O-CG 3.31Å; D858-Q862 PolarHBondContact O-N 2.84Å
859	E	68.8	Low	60.9	Low	122 Å²	122	83.2 Å²	83.2	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-65.4	-40.4	171.2	-174.9	162.5	-138.2	0	0	111.4	L861 Q862 L863	E859-L861 PolarHBondContact O-N 3.12Å; E859-Q862 PolarHBondContact O-N 3.39Å; E859-L863 VanDerWaalsContact O-CB 3.3Å; E859-L863 WeakPolarHBondContact O-CB 3.19Å; E859-L863 PolarHBondContact O-N 3.09Å
860	F	68	Low	63.4	Low	109 Å²	109	78.6 Å²	78.6	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-37.2	175.3	-175.7	-111.5	0	0	0	112.5	N856 S857 R864	N856-F860 WeakPolarHBondContact O-CB 3.47Å; N856-F860 PolarHBondContact O-N 3.06Å; S857-F860 PolarHBondContact O-N 2.89Å; F860-R864 VanDerWaalsContact CE1-CD 3.43Å; F860-R864 HydrophobicContact CE1-CG 4.48Å; F860-R864 HydrophobicContact CZ-CG 4.46Å; F860-R864 WeakPolarHBondContact O-CG 3.21Å; F860-R864 PolarHBondContact O-N 2.73Å
861	L	67	Low	66.1	Low	42 Å²	42	76.7 Å²	76.7	22%	0.22	39%	0.386	C	S	.	.	H	α-helix	trans	-68.5	-46.4	174	-179.4	59.7	0	0	0	111.5	V843 S857 D858 E859 L863 R864 L865	V843-L861 HydrophobicContact CG1-CD1 3.82Å; S857-L861 VanDerWaalsContact O-CB 3.31Å; S857-L861 WeakPolarHBondContact O-CB 3.33Å; S857-L861 PolarHBondContact O-N 3.37Å; D858-L861 PolarHBondContact O-N 2.93Å; E859-L861 PolarHBondContact O-N 3.12Å; L861-L863 VanDerWaalsContact C-N 3.29Å; L861-L863 PolarHBondContact O-N 3.08Å; L861-R864 PolarHBondContact O-N 3.29Å; L861-L865 HydrophobicContact CD1-CD1 4.27Å; L861-L865 HydrophobicContact CD1-CG 4.28Å; L861-L865 HydrophobicContact CG-CD1 4.07Å; L861-L865 WeakPolarHBondContact O-CB 3.48Å; L861-L865 VanDerWaalsContact O-CG 3.3Å; L861-L865 WeakPolarHBondContact O-CG 3.38Å; L861-L865 PolarHBondContact O-N 3.29Å
862	Q	70.5	Confident	68.6	Low	81 Å²	81	73.4 Å²	73.4	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-57.8	-42.2	174.6	-73.8	173.3	41.6	0	0	111.3	V544 D858 E859 L865 A866 I923	V544-Q862 HydrophobicContact CG1-CB 4.42Å; V544-Q862 HydrophobicContact CG2-CG 4.26Å; D858-Q862 WeakPolarHBondContact O-CB 3.25Å; D858-Q862 VanDerWaalsContact O-CG 3.22Å; D858-Q862 WeakPolarHBondContact O-CG 3.31Å; D858-Q862 PolarHBondContact O-N 2.84Å; E859-Q862 PolarHBondContact O-N 3.39Å; Q862-L865 PolarHBondContact O-N 3.05Å; Q862-A866 WeakPolarHBondContact O-CB 3.26Å; Q862-A866 PolarHBondContact O-N 3.41Å; Q862-I923 HydrophobicContact CB-CD1 3.92Å
863	L	76.7	Confident	71.1	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-41.6	176.1	179.5	55.9	0	0	0	112.6	E859 L861 A866 R867 L910 L920 P921	E859-L863 VanDerWaalsContact O-CB 3.3Å; E859-L863 WeakPolarHBondContact O-CB 3.19Å; E859-L863 PolarHBondContact O-N 3.09Å; L861-L863 VanDerWaalsContact C-N 3.29Å; L861-L863 PolarHBondContact O-N 3.08Å; L863-A866 PolarHBondContact O-N 2.92Å; L863-R867 VanDerWaalsContact O-CB 3.3Å; L863-R867 WeakPolarHBondContact O-CB 3.14Å; L863-R867 PolarHBondContact O-N 2.83Å; L863-L910 HydrophobicContact CD1-CD2 3.56Å; L863-L920 HydrophobicContact CD2-CD2 4.46Å; L863-P921 WeakPolarHBondContact CD1-O 3.47Å
864	R	74	Confident	73.5	Confident	99 Å²	99	61.5 Å²	61.5	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-43.7	173.7	-79.5	169.1	74	-140.9	11.1	111.6	D828 F860 L861 A868	D828-R864 VanDerWaalsContact CG-NH2 3.25Å; D828-R864 IonicContact OD1-NH2 2.91Å; D828-R864 PolarHBondContact OD1-NH2 2.63Å; D828-R864 IonicContact OD2-CZ 3.03Å; D828-R864 IonicContact OD2-NE 2.72Å; D828-R864 PolarHBondContact OD2-NE 3.23Å; D828-R864 IonicContact OD2-NH2 3.18Å; D828-R864 PolarHBondContact OD2-NH2 3Å; F860-R864 VanDerWaalsContact CE1-CD 3.43Å; F860-R864 HydrophobicContact CE1-CG 4.48Å; F860-R864 HydrophobicContact CZ-CG 4.46Å; F860-R864 WeakPolarHBondContact O-CG 3.21Å; F860-R864 PolarHBondContact O-N 2.73Å; L861-R864 PolarHBondContact O-N 3.29Å; R864-A868 VanDerWaalsContact O-CB 3.29Å; R864-A868 WeakPolarHBondContact O-CB 3.49Å; R864-A868 PolarHBondContact O-N 3.18Å
865	L	75.8	Confident	75.7	Confident	29 Å²	29	61.4 Å²	61.4	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-46.1	176.5	-68.6	170.5	0	0	0	111.7	M541 I839 I845 L861 Q862 R867 A868 W869	M541-L865 HydrophobicContact CE-CB 3.79Å; M541-L865 HydrophobicContact SD-CB 4.03Å; I839-L865 HydrophobicContact CD1-CD2 4.08Å; I839-L865 HydrophobicContact CG1-CD2 4.44Å; I839-L865 HydrophobicContact CG2-CD2 4.01Å; I845-L865 HydrophobicContact CD1-CD1 4.41Å; I845-L865 HydrophobicContact CD1-CD2 4.19Å; L861-L865 HydrophobicContact CD1-CD1 4.27Å; L861-L865 HydrophobicContact CD1-CG 4.28Å; L861-L865 HydrophobicContact CG-CD1 4.07Å; L861-L865 WeakPolarHBondContact O-CB 3.48Å; L861-L865 VanDerWaalsContact O-CG 3.3Å; L861-L865 WeakPolarHBondContact O-CG 3.38Å; L861-L865 PolarHBondContact O-N 3.29Å; Q862-L865 PolarHBondContact O-N 3.05Å; L865-R867 PolarHBondContact O-N 3.22Å; L865-A868 WeakPolarHBondContact O-CB 3.25Å; L865-A868 PolarHBondContact O-N 3.15Å; L865-A868 VanDerWaalsContact O-N 3.17Å; L865-W869 PolarHBondContact O-N 3.21Å
866	A	80.5	Confident	77.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-47.3	176.8	0	0	0	0	0	111.9	M541 Q862 L863 A868 W869 Q870 I909 L910 I923	M541-A866 HydrophobicContact CE-CB 4.13Å; Q862-A866 WeakPolarHBondContact O-CB 3.26Å; Q862-A866 PolarHBondContact O-N 3.41Å; L863-A866 PolarHBondContact O-N 2.92Å; A866-A868 VanDerWaalsContact C-N 3.33Å; A866-A868 PolarHBondContact O-N 3.04Å; A866-W869 PolarHBondContact O-N 2.9Å; A866-Q870 PolarHBondContact O-N 3.17Å; A866-I909 HydrophobicContact CB-CG2 3.68Å; A866-L910 HydrophobicContact CB-CD2 3.93Å; A866-I923 HydrophobicContact CB-CD1 4.5Å; A866-I923 HydrophobicContact CB-CG1 4.21Å
867	R	81.9	Confident	79.9	Confident	80 Å²	80	50.5 Å²	50.5	30%	0.302	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-38.7	175.2	-172	178.1	-72.2	-179.4	-3.6	112.2	L863 L865 R871 L910	L863-R867 VanDerWaalsContact O-CB 3.3Å; L863-R867 WeakPolarHBondContact O-CB 3.14Å; L863-R867 PolarHBondContact O-N 2.83Å; L865-R867 PolarHBondContact O-N 3.22Å; R867-R871 WeakPolarHBondContact O-CB 3.31Å; R867-R871 WeakPolarHBondContact O-CD 3.37Å; R867-R871 VanDerWaalsContact O-CG 3.25Å; R867-R871 WeakPolarHBondContact O-CG 3.28Å; R867-R871 PolarHBondContact O-N 2.98Å; R867-R871 VanDerWaalsContact O-N 3.13Å; R867-L910 HydrophobicContact CB-CD1 3.98Å; R867-L910 HydrophobicContact CG-CD1 4.12Å
868	A	80.4	Confident	81.6	Confident	15 Å²	15	55.5 Å²	55.5	12%	0.124	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-40.6	176.9	0	0	0	0	0	112	F832 R864 L865 A866 K872	F832-A868 HydrophobicContact CD1-CB 4.17Å; F832-A868 HydrophobicContact CD2-CB 4.08Å; F832-A868 HydrophobicContact CE1-CB 3.89Å; F832-A868 VanDerWaalsContact CE1-O 3.28Å; F832-A868 WeakPolarHBondContact CE1-O 3.49Å; F832-A868 HydrophobicContact CE2-CB 3.79Å; F832-A868 HydrophobicContact CG-CB 4.25Å; F832-A868 HydrophobicContact CZ-CB 3.68Å; F832-A868 WeakPolarHBondContact CZ-O 3.33Å; R864-A868 VanDerWaalsContact O-CB 3.29Å; R864-A868 WeakPolarHBondContact O-CB 3.49Å; R864-A868 PolarHBondContact O-N 3.18Å; L865-A868 WeakPolarHBondContact O-CB 3.25Å; L865-A868 PolarHBondContact O-N 3.15Å; L865-A868 VanDerWaalsContact O-N 3.17Å; A866-A868 VanDerWaalsContact C-N 3.33Å; A866-A868 PolarHBondContact O-N 3.04Å; A868-K872 WeakPolarHBondContact O-CB 3.38Å; A868-K872 PolarHBondContact O-N 3.08Å
869	W	84.9	Confident	82.7	Confident	15 Å²	15	53.1 Å²	53.1	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-44.2	175.3	-167.8	-77.1	0	0	0	112.4	H536 P537 K539 M541 P542 L865 A866 R871 K872 A873 I909	H536-W869 AromaticContact CE1-CH2 3.47Å; H536-W869 VanDerWaalsContact CE1-CH2 3.47Å; H536-W869 WeakPolarHBondContact CE1-CH2 3.34Å; H536-W869 AromaticContact NE2-CH2 3.67Å; P537-W869 PolarHBondContact O-NE1 3.38Å; P537-W869 VanDerWaalsContact O-NE1 3.15Å; K539-W869 PolarHBondContact O-NE1 3.11Å; K539-W869 VanDerWaalsContact O-NE1 3.16Å; M541-W869 HydrophobicContact CB-CB 4.31Å; M541-W869 HydrophobicContact CB-CD2 3.89Å; M541-W869 HydrophobicContact CB-CE3 4.36Å; M541-W869 HydrophobicContact CB-CG 3.88Å; M541-W869 HydrophobicContact CG-CB 4.23Å; M541-W869 HydrophobicContact CG-CD2 3.71Å; M541-W869 HydrophobicContact CG-CE3 3.67Å; M541-W869 HydrophobicContact CG-CG 3.99Å; M541-W869 HydrophobicContact CG-CZ3 4.22Å; M541-W869 HydrophobicContact SD-CB 3.65Å; M541-W869 HydrophobicContact SD-CD2 4.18Å; M541-W869 HydrophobicContact SD-CE3 4.03Å; M541-W869 HydrophobicContact SD-CG 4.08Å; P542-W869 HydrophobicContact CG-CH2 4.22Å; L865-W869 PolarHBondContact O-N 3.21Å; A866-W869 PolarHBondContact O-N 2.9Å; W869-R871 PolarHBondContact O-N 3.17Å; W869-K872 WeakPolarHBondContact O-CA 3.49Å; W869-K872 VanDerWaalsContact O-CB 3.23Å; W869-K872 WeakPolarHBondContact O-CB 3.46Å; W869-K872 PolarHBondContact O-N 2.72Å; W869-K872 VanDerWaalsContact O-N 3.09Å; W869-A873 PolarHBondContact O-N 2.85Å; W869-I909 HydrophobicContact CB-CD1 4.14Å; W869-I909 HydrophobicContact CG-CD1 3.95Å
870	Q	89.3	Confident	83.8	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.023	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-45.8	177.3	-162.1	-175	-66.7	0	0	111.4	A866 K872 A873 E874 G906 E912	A866-Q870 PolarHBondContact O-N 3.17Å; Q870-K872 PolarHBondContact O-N 3.43Å; Q870-A873 WeakPolarHBondContact O-CB 3.41Å; Q870-A873 PolarHBondContact O-N 3.36Å; Q870-A873 VanDerWaalsContact O-N 3.11Å; Q870-E874 HydrophobicContact CG-CG 4.37Å; Q870-E874 PolarHBondContact NE2-OE1 3.21Å; Q870-E874 WeakPolarHBondContact O-CB 3.26Å; Q870-E874 VanDerWaalsContact O-CG 3.28Å; Q870-E874 WeakPolarHBondContact O-CG 3.41Å; Q870-E874 PolarHBondContact O-N 3.32Å; Q870-G906 WeakPolarHBondContact CA-O 3.45Å; Q870-E912 PolarHBondContact NE2-OE1 3.21Å
871	R	87.8	Confident	84.9	Confident	122 Å²	122	44.9 Å²	44.9	46%	0.46	19%	0.193	S	C	.	.	H	α-helix	trans	-59.9	-31.9	174.2	-73.3	170.9	170.6	-171.9	-7.1	113.2	R867 W869 R875	R867-R871 WeakPolarHBondContact O-CB 3.31Å; R867-R871 WeakPolarHBondContact O-CD 3.37Å; R867-R871 VanDerWaalsContact O-CG 3.25Å; R867-R871 WeakPolarHBondContact O-CG 3.28Å; R867-R871 PolarHBondContact O-N 2.98Å; R867-R871 VanDerWaalsContact O-N 3.13Å; W869-R871 PolarHBondContact O-N 3.17Å; R871-R875 VanDerWaalsContact O-CB 3.27Å; R871-R875 WeakPolarHBondContact O-CB 3.23Å; R871-R875 PolarHBondContact O-N 2.77Å; R871-R875 VanDerWaalsContact O-N 3.09Å
872	K	88.1	Confident	86.1	Confident	3 Å²	3	46 Å²	46	1%	0.013	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-44.9	174.7	-170.6	-177.5	-178.5	159.9	0	111.1	D504 Y507 P537 F832 G837 A868 W869 Q870 L876	D504-K872 IonicContact OD1-NZ 2.66Å; D504-K872 PolarHBondContact OD1-NZ 2.96Å; Y507-K872 HydrophobicContact CD1-CG 4.3Å; Y507-K872 HydrophobicContact CD2-CG 4.47Å; Y507-K872 HydrophobicContact CE1-CD 4.21Å; Y507-K872 HydrophobicContact CE1-CG 3.62Å; Y507-K872 HydrophobicContact CE2-CG 3.82Å; Y507-K872 WeakPolarHBondContact OH-CG 3.35Å; Y507-K872 PolarHBondContact OH-O 3.32Å; P537-K872 HydrophobicContact CB-CG 4.47Å; F832-K872 HydrophobicContact CZ-CB 4.43Å; G837-K872 WeakPolarHBondContact O-CE 3.45Å; G837-K872 PolarHBondContact O-NZ 3.47Å; A868-K872 WeakPolarHBondContact O-CB 3.38Å; A868-K872 PolarHBondContact O-N 3.08Å; W869-K872 WeakPolarHBondContact O-CA 3.49Å; W869-K872 VanDerWaalsContact O-CB 3.23Å; W869-K872 WeakPolarHBondContact O-CB 3.46Å; W869-K872 PolarHBondContact O-N 2.72Å; W869-K872 VanDerWaalsContact O-N 3.09Å; Q870-K872 PolarHBondContact O-N 3.43Å; K872-L876 PolarHBondContact O-N 3.23Å
873	A	91.6	Very high	87.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-50.6	174.8	0	0	0	0	0	112	P537 F538 W869 Q870 R875 L876 W877 G906 L907	P537-A873 VanDerWaalsContact O-CB 3.28Å; P537-A873 WeakPolarHBondContact O-CB 3.41Å; F538-A873 HydrophobicContact CD1-CB 4.13Å; F538-A873 HydrophobicContact CE1-CB 4.44Å; F538-A873 WeakPolarHBondContact CE1-O 3.37Å; W869-A873 PolarHBondContact O-N 2.85Å; Q870-A873 WeakPolarHBondContact O-CB 3.41Å; Q870-A873 PolarHBondContact O-N 3.36Å; Q870-A873 VanDerWaalsContact O-N 3.11Å; A873-R875 PolarHBondContact O-N 3.43Å; A873-L876 PolarHBondContact O-N 3.3Å; A873-L876 VanDerWaalsContact O-N 3.1Å; A873-W877 WeakPolarHBondContact O-CB 3.46Å; A873-W877 PolarHBondContact O-N 2.96Å; A873-G906 WeakPolarHBondContact CB-O 3.33Å; A873-L907 VanDerWaalsContact C-CD2 3.47Å; A873-L907 HydrophobicContact CB-CD2 3.68Å; A873-L907 HydrophobicContact CB-CG 4.19Å
874	E	92.5	Very high	88.1	Confident	48 Å²	48	43.4 Å²	43.4	22%	0.224	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-30.7	179.6	-70.9	168.8	163.5	0	0	113	Q870 R878 L907 K936	Q870-E874 HydrophobicContact CG-CG 4.37Å; Q870-E874 PolarHBondContact NE2-OE1 3.21Å; Q870-E874 WeakPolarHBondContact O-CB 3.26Å; Q870-E874 VanDerWaalsContact O-CG 3.28Å; Q870-E874 WeakPolarHBondContact O-CG 3.41Å; Q870-E874 PolarHBondContact O-N 3.32Å; E874-R878 WeakPolarHBondContact O-CG 3.35Å; E874-R878 PolarHBondContact O-N 3Å; E874-R878 PolarHBondContact O-NE 3.05Å; E874-R878 VanDerWaalsContact O-NE 3.11Å; E874-L907 HydrophobicContact CG-CD2 4.11Å; E874-K936 IonicContact OE1-NZ 2.75Å
875	R	90.3	Very high	89.1	Confident	93 Å²	93	41.7 Å²	41.7	35%	0.351	19%	0.185	S	C	.	.	H	α-helix	trans	-71.2	-45.7	173.8	-170.5	172	-165.8	159.4	6.8	111.6	R511 R871 A873 W877 E879	R511-R875 VanDerWaalsContact CZ-CZ 3.49Å; R511-R875 VanDerWaalsContact CZ-NE 3.3Å; R871-R875 VanDerWaalsContact O-CB 3.27Å; R871-R875 WeakPolarHBondContact O-CB 3.23Å; R871-R875 PolarHBondContact O-N 2.77Å; R871-R875 VanDerWaalsContact O-N 3.09Å; A873-R875 PolarHBondContact O-N 3.43Å; R875-W877 VanDerWaalsContact C-N 3.34Å; R875-E879 WeakPolarHBondContact O-CG 3.37Å; R875-E879 PolarHBondContact O-N 3.45Å
876	L	92	Very high	90.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-43.3	175.5	-170.6	55.7	0	0	0	110.9	Y507 W510 P537 F538 K872 A873 R878 E879 L880	Y507-L876 HydrophobicContact CD2-CD2 4.37Å; Y507-L876 HydrophobicContact CE2-CB 4.23Å; Y507-L876 HydrophobicContact CE2-CD2 4.48Å; W510-L876 HydrophobicContact CD2-CD1 4.3Å; W510-L876 HydrophobicContact CG-CD1 4.32Å; W510-L876 HydrophobicContact CZ2-CD1 4.2Å; P537-L876 HydrophobicContact CB-CD2 4.28Å; P537-L876 HydrophobicContact CG-CD2 3.88Å; F538-L876 HydrophobicContact CD2-CD2 4.39Å; F538-L876 HydrophobicContact CE1-CB 4.25Å; F538-L876 HydrophobicContact CE1-CG 4.49Å; F538-L876 HydrophobicContact CE2-CD2 3.5Å; F538-L876 VanDerWaalsContact CE2-CD2 3.5Å; F538-L876 HydrophobicContact CE2-CG 3.91Å; F538-L876 HydrophobicContact CZ-CB 3.75Å; F538-L876 HydrophobicContact CZ-CD2 3.61Å; F538-L876 HydrophobicContact CZ-CG 3.54Å; K872-L876 PolarHBondContact O-N 3.23Å; A873-L876 PolarHBondContact O-N 3.3Å; A873-L876 VanDerWaalsContact O-N 3.1Å; L876-R878 PolarHBondContact O-N 3.3Å; L876-E879 WeakPolarHBondContact O-CB 3.36Å; L876-E879 PolarHBondContact O-N 2.88Å; L876-L880 HydrophobicContact CG-CG 4.41Å; L876-L880 WeakPolarHBondContact O-CG 3.42Å; L876-L880 PolarHBondContact O-N 3.05Å
877	W	94.4	Very high	90.9	Very high	43 Å²	43	40.3 Å²	40.3	16%	0.163	18%	0.178	C	C	.	.	H	α-helix	trans	-54.7	-47.9	178.8	179.6	-140	0	0	0	112.7	F538 A873 R875 E879 L880 T881 L907 F940 W943	F538-W877 HydrophobicContact CE1-CB 4.04Å; A873-W877 WeakPolarHBondContact O-CB 3.46Å; A873-W877 PolarHBondContact O-N 2.96Å; R875-W877 VanDerWaalsContact C-N 3.34Å; W877-E879 VanDerWaalsContact C-N 3.32Å; W877-E879 PolarHBondContact O-N 3.15Å; W877-L880 PolarHBondContact O-N 2.8Å; W877-T881 HydrophobicContact CD2-CG2 3.78Å; W877-T881 HydrophobicContact CE3-CG2 3.56Å; W877-T881 HydrophobicContact CH2-CG2 3.4Å; W877-T881 HydrophobicContact CZ2-CG2 3.61Å; W877-T881 HydrophobicContact CZ3-CG2 3.37Å; W877-T881 PolarHBondContact O-N 3.13Å; W877-T881 PolarHBondContact O-OG1 3.42Å; W877-L907 HydrophobicContact CB-CD2 3.85Å; W877-L907 HydrophobicContact CG-CD1 4.3Å; W877-L907 HydrophobicContact CG-CD2 4.21Å; W877-F940 HydrophobicContact CD2-CD2 4.02Å; W877-F940 AromaticContact CE3-CD2 3.46Å; W877-F940 HydrophobicContact CE3-CD2 3.46Å; W877-F940 VanDerWaalsContact CE3-CD2 3.46Å; W877-F940 AromaticContact CE3-CE2 3.89Å; W877-F940 HydrophobicContact CE3-CE2 3.89Å; W877-F940 HydrophobicContact CH2-CB 4.49Å; W877-F940 HydrophobicContact CH2-CD2 4.19Å; W877-F940 AromaticContact CZ3-CD2 3.57Å; W877-F940 HydrophobicContact CZ3-CD2 3.57Å; W877-F940 HydrophobicContact CZ3-CE2 4.11Å; W877-W943 HydrophobicContact CH2-CB 3.55Å; W877-W943 HydrophobicContact CH2-CD2 4.25Å; W877-W943 AromaticContact CH2-CG 3.74Å; W877-W943 HydrophobicContact CH2-CG 3.74Å; W877-W943 HydrophobicContact CZ3-CB 3.97Å; W877-W943 AromaticContact CZ3-CD2 3.83Å; W877-W943 HydrophobicContact CZ3-CD2 3.83Å; W877-W943 AromaticContact CZ3-CE3 3.95Å; W877-W943 HydrophobicContact CZ3-CE3 3.95Å; W877-W943 AromaticContact CZ3-CG 3.84Å; W877-W943 HydrophobicContact CZ3-CG 3.84Å
878	R	92.5	Very high	91.6	Very high	159 Å²	159	36.5 Å²	36.5	60%	0.6	16%	0.164	S	C	*	.	H	α-helix	trans	-64.3	-33.7	176.4	-72	178.7	-67.5	150.5	-8.6	113.3	E874 L876 S882	E874-R878 WeakPolarHBondContact O-CG 3.35Å; E874-R878 PolarHBondContact O-N 3Å; E874-R878 PolarHBondContact O-NE 3.05Å; E874-R878 VanDerWaalsContact O-NE 3.11Å; L876-R878 PolarHBondContact O-N 3.3Å; R878-S882 WeakPolarHBondContact O-CB 3.45Å; R878-S882 PolarHBondContact O-N 2.83Å; R878-S882 PolarHBondContact O-OG 3.33Å
879	E	89.5	Confident	92.4	Very high	27 Å²	27	35.8 Å²	35.8	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-71.4	-35.8	175	-69.6	173	-164	0	0	111.6	W510 R511 R875 L876 W877 S882 R883	W510-E879 PolarHBondContact NE1-OE2 3.36Å; R511-E879 IonicContact CZ-OE1 3.15Å; R511-E879 IonicContact NE-OE1 2.61Å; R511-E879 IonicContact NH1-OE1 3.54Å; R511-E879 PolarHBondContact NH1-OE1 3.08Å; R875-E879 WeakPolarHBondContact O-CG 3.37Å; R875-E879 PolarHBondContact O-N 3.45Å; L876-E879 WeakPolarHBondContact O-CB 3.36Å; L876-E879 PolarHBondContact O-N 2.88Å; W877-E879 VanDerWaalsContact C-N 3.32Å; W877-E879 PolarHBondContact O-N 3.15Å; E879-S882 PolarHBondContact O-OG 3.45Å; E879-R883 PolarHBondContact O-N 3.28Å
880	L	92.5	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-58.1	174.2	-65.1	-172.7	0	0	0	111.9	W510 F534 F538 L876 W877 S882 R883 V884 W943	W510-L880 HydrophobicContact CH2-CD2 4.01Å; W510-L880 HydrophobicContact CZ2-CD2 3.8Å; F534-L880 HydrophobicContact CE2-CD2 3.8Å; F534-L880 HydrophobicContact CZ-CD1 4.05Å; F534-L880 HydrophobicContact CZ-CD2 3.57Å; F534-L880 HydrophobicContact CZ-CG 4.49Å; F538-L880 HydrophobicContact CE2-CD1 3.79Å; F538-L880 HydrophobicContact CZ-CD1 3.69Å; L876-L880 HydrophobicContact CG-CG 4.41Å; L876-L880 WeakPolarHBondContact O-CG 3.42Å; L876-L880 PolarHBondContact O-N 3.05Å; W877-L880 PolarHBondContact O-N 2.8Å; L880-S882 VanDerWaalsContact C-N 3.32Å; L880-S882 PolarHBondContact O-N 3.3Å; L880-R883 PolarHBondContact O-N 2.93Å; L880-V884 HydrophobicContact CD2-CB 4.26Å; L880-V884 HydrophobicContact CD2-CG2 3.7Å; L880-V884 WeakPolarHBondContact O-CA 3.45Å; L880-V884 WeakPolarHBondContact O-CB 3.33Å; L880-V884 PolarHBondContact O-N 3.44Å; L880-W943 HydrophobicContact CB-CH2 3.91Å; L880-W943 HydrophobicContact CB-CZ2 4.28Å; L880-W943 HydrophobicContact CB-CZ3 4.33Å; L880-W943 HydrophobicContact CD1-CH2 4.43Å; L880-W943 HydrophobicContact CD1-CZ3 4.17Å
881	T	91.2	Very high	92.7	Very high	58 Å²	58	36.3 Å²	36.3	36%	0.356	16%	0.162	S	C	.	.	H	α-helix	trans	-62.7	-36.4	-173.6	51.5	0	0	0	0	113.3	W877	W877-T881 HydrophobicContact CD2-CG2 3.78Å; W877-T881 HydrophobicContact CE3-CG2 3.56Å; W877-T881 HydrophobicContact CH2-CG2 3.4Å; W877-T881 HydrophobicContact CZ2-CG2 3.61Å; W877-T881 HydrophobicContact CZ3-CG2 3.37Å; W877-T881 PolarHBondContact O-N 3.13Å; W877-T881 PolarHBondContact O-OG1 3.42Å
882	S	91.5	Very high	92.6	Very high	66 Å²	66	30.6 Å²	30.6	46%	0.462	14%	0.141	S	C	.	.	H	α-helix	trans	-72.2	-44.8	-179.8	57.8	0	0	0	0	112.9	R878 E879 L880 K885	R878-S882 WeakPolarHBondContact O-CB 3.45Å; R878-S882 PolarHBondContact O-N 2.83Å; R878-S882 PolarHBondContact O-OG 3.33Å; E879-S882 PolarHBondContact O-OG 3.45Å; L880-S882 VanDerWaalsContact C-N 3.32Å; L880-S882 PolarHBondContact O-N 3.3Å; S882-K885 PolarHBondContact O-NZ 3.35Å
883	R	93.2	Very high	92.3	Very high	40 Å²	40	33.1 Å²	33.1	15%	0.151	16%	0.162	C	C	.	.	H	α-helix	trans	-123.7	-22.6	-163.6	-67	174.7	70.4	-170.6	0.6	115.6	I514 C517 S519 I522 E879 L880	I514-R883 PolarHBondContact O-NH1 3.24Å; I514-R883 PolarHBondContact O-NH2 3.01Å; C517-R883 PolarHBondContact O-NH2 3.02Å; S519-R883 PolarHBondContact O-NE 3.37Å; S519-R883 PolarHBondContact O-NH2 2.71Å; I522-R883 WeakPolarHBondContact CB-O 3.28Å; I522-R883 HydrophobicContact CD1-CB 3.93Å; I522-R883 HydrophobicContact CG1-CB 4.18Å; I522-R883 PolarHBondContact N-O 3.38Å; E879-R883 PolarHBondContact O-N 3.28Å; L880-R883 PolarHBondContact O-N 2.93Å
884	V	95.7	Very high	91.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.6	174.5	-179.6	0	0	0	0	109.7	W510 I522 V524 L880 A886 V887 W943	W510-V884 HydrophobicContact CH2-CG2 3.93Å; W510-V884 HydrophobicContact CZ2-CG2 4.27Å; I522-V884 HydrophobicContact CB-CG2 4.12Å; I522-V884 HydrophobicContact CG2-CG2 4.13Å; I522-V884 CarbonylContact O-C 3.58Å; I522-V884 WeakPolarHBondContact O-CA 3.47Å; V524-V884 HydrophobicContact CG2-CG1 4.02Å; V524-V884 HydrophobicContact CG2-CG2 4.19Å; L880-V884 HydrophobicContact CD2-CB 4.26Å; L880-V884 HydrophobicContact CD2-CG2 3.7Å; L880-V884 WeakPolarHBondContact O-CA 3.45Å; L880-V884 WeakPolarHBondContact O-CB 3.33Å; L880-V884 PolarHBondContact O-N 3.44Å; V884-A886 WeakPolarHBondContact CG1-O 3.3Å; V884-V887 HydrophobicContact CG1-CG2 3.86Å; V884-W943 HydrophobicContact CB-CH2 4.25Å; V884-W943 HydrophobicContact CB-CZ2 4.41Å; V884-W943 HydrophobicContact CG1-CH2 4.07Å
885	K	95.6	Very high	90.9	Very high	63 Å²	63	32.4 Å²	32.4	27%	0.274	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-21.7	-178.2	-50.7	-58.2	162.3	-163	0	113	N520 I522 S882	N520-K885 WeakPolarHBondContact O-CE 3.41Å; I522-K885 PolarHBondContact O-N 2.77Å; S882-K885 PolarHBondContact O-NZ 3.35Å
886	A	96.9	Very high	90.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.7	175.8	0	0	0	0	0	111.5	L523 V524 V884 N947 F997 F998 K1001	L523-A886 HydrophobicContact CD2-CB 3.9Å; V524-A886 PolarHBondContact N-O 3.28Å; V884-A886 WeakPolarHBondContact CG1-O 3.3Å; A886-N947 WeakPolarHBondContact CA-O 3.29Å; A886-F997 HydrophobicContact CB-CD1 4.44Å; A886-F997 HydrophobicContact CB-CE1 3.88Å; A886-F998 HydrophobicContact CB-CD1 3.64Å; A886-F998 HydrophobicContact CB-CE1 3.92Å; A886-K1001 HydrophobicContact CB-CB 3.88Å; A886-K1001 HydrophobicContact CB-CG 4.02Å
887	V	97.2	Very high	89.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.8	169.8	-174.1	0	0	0	0	109.7	V524 F534 V884 F889 W943 N947 S948 V949	V524-V887 HydrophobicContact CB-CG1 4.19Å; V524-V887 HydrophobicContact CB-CG2 4.25Å; V524-V887 HydrophobicContact CG1-CG1 4.25Å; V524-V887 CarbonylContact O-C 3.26Å; V524-V887 WeakPolarHBondContact O-CA 3.32Å; F534-V887 HydrophobicContact CD1-CG1 4.36Å; F534-V887 HydrophobicContact CE1-CG1 3.77Å; F534-V887 HydrophobicContact CE1-CG2 4.07Å; F534-V887 HydrophobicContact CZ-CG1 4.25Å; F534-V887 HydrophobicContact CZ-CG2 3.97Å; V884-V887 HydrophobicContact CG1-CG2 3.86Å; V887-F889 HydrophobicContact CB-CE2 4.44Å; V887-F889 HydrophobicContact CB-CZ 4.48Å; V887-F889 HydrophobicContact CG1-CD1 4.36Å; V887-F889 HydrophobicContact CG1-CD2 4.36Å; V887-F889 HydrophobicContact CG1-CE1 3.8Å; V887-F889 HydrophobicContact CG1-CE2 3.77Å; V887-F889 HydrophobicContact CG1-CZ 3.48Å; V887-F889 VanDerWaalsContact CG1-CZ 3.48Å; V887-W943 HydrophobicContact CG2-CH2 4.15Å; V887-W943 HydrophobicContact CG2-CZ3 4.3Å; V887-N947 PolarHBondContact N-O 3.15Å; V887-S948 WeakPolarHBondContact O-CA 3.18Å; V887-S948 VanDerWaalsContact O-CB 3.29Å; V887-S948 WeakPolarHBondContact O-CB 3.47Å; V887-V949 PolarHBondContact O-N 2.96Å
888	V	97.4	Very high	89.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.5	169.6	175.8	0	0	0	0	109.9	V524 W525 A526 T890 V949 Y951 I994 F997 F998	V524-V888 PolarHBondContact O-N 3.33Å; W525-V888 CarbonylContact C-O 3.54Å; W525-V888 WeakPolarHBondContact CA-O 3.25Å; A526-V888 PolarHBondContact N-O 3.02Å; V888-T890 HydrophobicContact CG1-CG2 4.27Å; V888-V949 HydrophobicContact CG1-CG2 4.35Å; V888-V949 HydrophobicContact CG2-CG2 3.9Å; V888-Y951 HydrophobicContact CG1-CD2 3.81Å; V888-Y951 HydrophobicContact CG1-CE2 3.99Å; V888-I994 HydrophobicContact CB-CD1 4.39Å; V888-I994 HydrophobicContact CG1-CD1 3.61Å; V888-I994 HydrophobicContact CG1-CG1 3.89Å; V888-I994 HydrophobicContact CG2-CG1 4.37Å; V888-I994 HydrophobicContact CG2-CG2 4.27Å; V888-F997 HydrophobicContact CG2-CD1 3.54Å; V888-F997 HydrophobicContact CG2-CE1 3.81Å; V888-F998 HydrophobicContact CB-CE1 4.3Å; V888-F998 HydrophobicContact CB-CZ 4.36Å; V888-F998 HydrophobicContact CG2-CD1 4.26Å; V888-F998 HydrophobicContact CG2-CE1 3.59Å; V888-F998 HydrophobicContact CG2-CZ 4.01Å
889	F	95.7	Very high	88.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138	166.1	-58.6	-69.2	0	0	0	109.9	A526 A531 F534 I535 V887 V895 V949 N950 Y951 I973	A526-F889 HydrophobicContact CB-CD1 4.04Å; A526-F889 HydrophobicContact CB-CE1 4.23Å; A526-F889 WeakPolarHBondContact O-CA 3.44Å; A531-F889 HydrophobicContact CB-CD1 3.51Å; A531-F889 HydrophobicContact CB-CE1 3.97Å; F534-F889 AromaticContact CD1-CE1 3.97Å; F534-F889 HydrophobicContact CD1-CE1 3.97Å; F534-F889 HydrophobicContact CD1-CZ 4.11Å; F534-F889 HydrophobicContact CE1-CE1 4.48Å; F534-F889 HydrophobicContact CE1-CZ 4.25Å; I535-F889 HydrophobicContact CG2-CE1 4.28Å; I535-F889 HydrophobicContact CG2-CZ 4.17Å; V887-F889 HydrophobicContact CB-CE2 4.44Å; V887-F889 HydrophobicContact CB-CZ 4.48Å; V887-F889 HydrophobicContact CG1-CD1 4.36Å; V887-F889 HydrophobicContact CG1-CD2 4.36Å; V887-F889 HydrophobicContact CG1-CE1 3.8Å; V887-F889 HydrophobicContact CG1-CE2 3.77Å; V887-F889 HydrophobicContact CG1-CZ 3.48Å; V887-F889 VanDerWaalsContact CG1-CZ 3.48Å; F889-V895 HydrophobicContact CB-CG2 4.16Å; F889-V895 HydrophobicContact CD1-CG1 4.14Å; F889-V895 HydrophobicContact CD2-CB 4.41Å; F889-V895 HydrophobicContact CD2-CG1 4.2Å; F889-V895 HydrophobicContact CD2-CG2 4.2Å; F889-V895 HydrophobicContact CE1-CG1 4.05Å; F889-V895 HydrophobicContact CE2-CG1 4.13Å; F889-V895 HydrophobicContact CG-CG1 4.19Å; F889-V895 HydrophobicContact CG-CG2 4.11Å; F889-V895 HydrophobicContact CZ-CG1 4.04Å; F889-V949 PolarHBondContact N-O 3.39Å; F889-N950 HydrophobicContact CB-CB 4.03Å; F889-N950 WeakPolarHBondContact CB-OD1 3.4Å; F889-N950 WeakPolarHBondContact O-CA 3.26Å; F889-N950 PolarHBondContact O-OD1 2.91Å; F889-Y951 PolarHBondContact O-N 3.22Å; F889-I973 HydrophobicContact CD2-CD1 4.35Å; F889-I973 HydrophobicContact CE2-CD1 3.92Å
890	T	93.5	Very high	87.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.8	169.1	47.4	0	0	0	0	110.2	W525 A526 H527 Q528 V888 S892 Y951 I986 V990 I994	W525-T890 HydrophobicContact CZ2-CG2 4.13Å; W525-T890 VanDerWaalsContact NE1-CG2 3.29Å; W525-T890 PolarHBondContact NE1-OG1 3.15Å; A526-T890 PolarHBondContact O-N 3.21Å; H527-T890 WeakPolarHBondContact CB-OG1 3.39Å; H527-T890 PolarHBondContact ND1-O 3.36Å; H527-T890 VanDerWaalsContact ND1-O 3.1Å; H527-T890 PolarHBondContact ND1-OG1 3.4Å; Q528-T890 PolarHBondContact N-O 2.76Å; V888-T890 HydrophobicContact CG1-CG2 4.27Å; T890-S892 VanDerWaalsContact C-N 3.27Å; T890-S892 PolarHBondContact O-N 3.41Å; T890-Y951 WeakPolarHBondContact CA-O 3.46Å; T890-I986 HydrophobicContact CG2-CG2 4.08Å; T890-V990 HydrophobicContact CG2-CG2 4.06Å; T890-I994 HydrophobicContact CG2-CD1 4.11Å
891	D	87.3	Confident	87.1	Confident	32 Å²	32	31.4 Å²	31.4	17%	0.171	20%	0.195	C	C	.	.	S	Bend	trans	58.2	35.6	178.9	-156.5	45.7	0	0	0	113.9	Q528 Y951 H983 I986	Q528-D891 HydrophobicContact CG-CB 3.92Å; Q528-D891 PolarHBondContact NE2-OD2 3.38Å; D891-Y951 PolarHBondContact N-O 3.08Å; D891-H983 IonicContact OD1-CE1 3.35Å; D891-H983 PolarHBondContact OD1-CE1 2.94Å; D891-H983 IonicContact OD1-CG 2.82Å; D891-H983 IonicContact OD1-ND1 3.19Å; D891-H983 PolarHBondContact OD1-ND1 3.27Å; D891-H983 IonicContact OD2-CG 2.98Å; D891-H983 IonicContact OD2-ND1 3.93Å; D891-H983 PolarHBondContact OD2-ND1 3.39Å; D891-I986 HydrophobicContact CB-CD1 3.98Å
892	S	86	Confident	86.6	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.014	18%	0.178	C	C	.	.			trans	-90.3	129.3	173.8	179.7	0	0	0	0	110.9	A531 T890 N950	A531-S892 WeakPolarHBondContact CB-OG 3.36Å; T890-S892 VanDerWaalsContact C-N 3.27Å; T890-S892 PolarHBondContact O-N 3.41Å; S892-N950 PolarHBondContact O-ND2 2.92Å
893	A	81.1	Confident	86.4	Confident	55 Å²	55	25.5 Å²	25.5	46%	0.455	16%	0.156	S	C	.	.	S	Bend	trans	-87.2	-41.9	177.6	0	0	0	0	0	112	V895 L896	A893-V895 PolarHBondContact O-N 2.35Å; A893-V895 VanDerWaalsContact O-N 3.13Å; A893-L896 VanDerWaalsContact O-CB 3.28Å; A893-L896 WeakPolarHBondContact O-CB 3.37Å; A893-L896 WeakPolarHBondContact O-CG 3.49Å; A893-L896 PolarHBondContact O-N 2.91Å
894	D	74.9	Confident	86.2	Confident	33 Å²	33	23.6 Å²	23.6	18%	0.176	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.2	-173.4	-61.9	30.4	0	0	0	113.6	N532 I535 K539 A901	N532-D894 PolarHBondContact ND2-OD1 2.82Å; N532-D894 PolarHBondContact ND2-OD2 2.85Å; N532-D894 PolarHBondContact OD1-OD1 2.83Å; I535-D894 HydrophobicContact CD1-CB 3.79Å; K539-D894 IonicContact NZ-OD2 2.96Å; K539-D894 PolarHBondContact NZ-OD2 3.18Å; D894-A901 WeakPolarHBondContact O-CB 3.15Å
895	V	81.7	Confident	85.9	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.9	175.5	-55.6	0	0	0	0	113.6	I535 F889 A893 L898 N950 I973	I535-V895 HydrophobicContact CD1-CG1 3.9Å; I535-V895 HydrophobicContact CG2-CG1 4.32Å; F889-V895 HydrophobicContact CB-CG2 4.16Å; F889-V895 HydrophobicContact CD1-CG1 4.14Å; F889-V895 HydrophobicContact CD2-CB 4.41Å; F889-V895 HydrophobicContact CD2-CG1 4.2Å; F889-V895 HydrophobicContact CD2-CG2 4.2Å; F889-V895 HydrophobicContact CE1-CG1 4.05Å; F889-V895 HydrophobicContact CE2-CG1 4.13Å; F889-V895 HydrophobicContact CG-CG1 4.19Å; F889-V895 HydrophobicContact CG-CG2 4.11Å; F889-V895 HydrophobicContact CZ-CG1 4.04Å; A893-V895 PolarHBondContact O-N 2.35Å; A893-V895 VanDerWaalsContact O-N 3.13Å; V895-L898 HydrophobicContact CB-CD2 4.43Å; V895-N950 HydrophobicContact CG2-CB 4.03Å; V895-N950 VanDerWaalsContact CG2-ND2 3.32Å; V895-N950 WeakPolarHBondContact CG2-ND2 3.48Å; V895-I973 HydrophobicContact CB-CD1 4.05Å
896	L	79.1	Confident	85.6	Confident	77 Å²	77	21.3 Å²	21.3	40%	0.403	14%	0.138	S	C	.	.	S	Bend	trans	-74.5	-29.6	177	-64.1	172.8	0	0	0	112.5	A893 N950 V952 T975	A893-L896 VanDerWaalsContact O-CB 3.28Å; A893-L896 WeakPolarHBondContact O-CB 3.37Å; A893-L896 WeakPolarHBondContact O-CG 3.49Å; A893-L896 PolarHBondContact O-N 2.91Å; L896-N950 WeakPolarHBondContact CD2-ND2 3.3Å; L896-V952 HydrophobicContact CD2-CG1 4.35Å; L896-T975 HydrophobicContact CD2-CG2 3.77Å
897	D	77.7	Confident	85.3	Confident	57 Å²	57	21.4 Å²	21.4	31%	0.305	14%	0.139	S	C	.	.			trans	-139.7	92.5	174.2	-171.5	-23.5	0	0	0	109.6	C899 A900 A901	D897-C899 PolarHBondContact O-N 3.38Å; D897-C899 WeakPolarHBondContact OD1-CA 3.24Å; D897-C899 VanDerWaalsContact OD1-CB 3.26Å; D897-C899 WeakPolarHBondContact OD1-CB 3.32Å; D897-C899 PolarHBondContact OD1-N 3.35Å; D897-A900 HydrophobicContact CB-CB 4.08Å; D897-A900 VanDerWaalsContact CG-CB 3.48Å; D897-A900 PolarHBondContact OD1-N 2.75Å; D897-A900 WeakPolarHBondContact OD2-CB 3.49Å; D897-A901 VanDerWaalsContact O-CB 3.28Å; D897-A901 WeakPolarHBondContact O-CB 3.31Å; D897-A901 PolarHBondContact O-N 2.75Å
898	L	82.6	Confident	84.9	Confident	10 Å²	10	22.3 Å²	22.3	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23	177.1	-58.3	-176.6	0	0	0	112.6	V895 G902 V903 R941 L944 I973	V895-L898 HydrophobicContact CB-CD2 4.43Å; L898-G902 PolarHBondContact O-N 2.91Å; L898-V903 HydrophobicContact CB-CB 4.21Å; L898-V903 HydrophobicContact CD2-CB 4.03Å; L898-V903 HydrophobicContact CD2-CG1 3.9Å; L898-V903 HydrophobicContact CD2-CG2 4.33Å; L898-V903 PolarHBondContact O-N 3.32Å; L898-R941 HydrophobicContact CD1-CG 4.32Å; L898-R941 PolarHBondContact O-NH2 3.23Å; L898-L944 HydrophobicContact CD1-CD1 4.22Å; L898-I973 HydrophobicContact CD1-CD1 4.06Å; L898-I973 HydrophobicContact CD1-CG1 4.16Å; L898-I973 HydrophobicContact CD2-CD1 4.02Å; L898-I973 HydrophobicContact CG-CD1 4.42Å
899	C	77.6	Confident	84.2	Confident	59 Å²	59	22.4 Å²	22.4	40%	0.399	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-54.5	179.2	-67.7	0	0	0	0	110.3	F548 D897 A901 G902 R941	F548-C899 WeakPolarHBondContact CE1-O 3.41Å; D897-C899 PolarHBondContact O-N 3.38Å; D897-C899 WeakPolarHBondContact OD1-CA 3.24Å; D897-C899 VanDerWaalsContact OD1-CB 3.26Å; D897-C899 WeakPolarHBondContact OD1-CB 3.32Å; D897-C899 PolarHBondContact OD1-N 3.35Å; C899-A901 VanDerWaalsContact C-N 3.34Å; C899-A901 PolarHBondContact O-N 3.46Å; C899-G902 PolarHBondContact O-N 2.95Å; C899-G902 VanDerWaalsContact O-N 3.11Å; C899-R941 PolarHBondContact SG-NH1 2.94Å
900	A	75.7	Confident	83.5	Confident	76 Å²	76	22.8 Å²	22.8	63%	0.628	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-36.9	178	0	0	0	0	0	112.6	D897 G902	D897-A900 HydrophobicContact CB-CB 4.08Å; D897-A900 VanDerWaalsContact CG-CB 3.48Å; D897-A900 PolarHBondContact OD1-N 2.75Å; D897-A900 WeakPolarHBondContact OD2-CB 3.49Å; A900-G902 PolarHBondContact O-N 3.04Å
901	A	77.3	Confident	82.6	Confident	27 Å²	27	25.7 Å²	25.7	22%	0.223	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	0.2	175.7	0	0	0	0	0	114.1	D894 D897 C899 V903	D894-A901 WeakPolarHBondContact O-CB 3.15Å; D897-A901 VanDerWaalsContact O-CB 3.28Å; D897-A901 WeakPolarHBondContact O-CB 3.31Å; D897-A901 PolarHBondContact O-N 2.75Å; C899-A901 VanDerWaalsContact C-N 3.34Å; C899-A901 PolarHBondContact O-N 3.46Å; A901-V903 HydrophobicContact CB-CG2 3.76Å; A901-V903 PolarHBondContact O-N 3.36Å; A901-V903 VanDerWaalsContact O-N 3.16Å
902	G	81.2	Confident	81.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	14.6	-178.9	0	0	0	0	0	114.4	P540 L898 C899 A900 G904 W905	P540-G902 WeakPolarHBondContact CD-O 3.49Å; L898-G902 PolarHBondContact O-N 2.91Å; C899-G902 PolarHBondContact O-N 2.95Å; C899-G902 VanDerWaalsContact O-N 3.11Å; A900-G902 PolarHBondContact O-N 3.04Å; G902-G904 PolarHBondContact O-N 3.08Å; G902-W905 WeakPolarHBondContact O-CB 3.41Å; G902-W905 PolarHBondContact O-N 3.33Å; G902-W905 VanDerWaalsContact O-N 3.17Å
903	V	87.8	Confident	79.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	130	-170.3	172.6	0	0	0	0	110.4	I535 K539 L898 A901 F940 R941 L944	I535-V903 HydrophobicContact CD1-CG2 3.98Å; K539-V903 HydrophobicContact CG-CG2 4.02Å; L898-V903 HydrophobicContact CB-CB 4.21Å; L898-V903 HydrophobicContact CD2-CB 4.03Å; L898-V903 HydrophobicContact CD2-CG1 3.9Å; L898-V903 HydrophobicContact CD2-CG2 4.33Å; L898-V903 PolarHBondContact O-N 3.32Å; A901-V903 HydrophobicContact CB-CG2 3.76Å; A901-V903 PolarHBondContact O-N 3.36Å; A901-V903 VanDerWaalsContact O-N 3.16Å; V903-F940 HydrophobicContact CG1-CD1 4.47Å; V903-F940 HydrophobicContact CG1-CE1 3.69Å; V903-R941 VanDerWaalsContact O-CZ 3.28Å; V903-R941 PolarHBondContact O-NE 3.38Å; V903-R941 PolarHBondContact O-NH2 3.18Å; V903-L944 HydrophobicContact CG1-CD1 4.21Å
904	G	89.3	Confident	78	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.7	-30.9	-171.9	0	0	0	0	0	113.8	F538 G902 G906 L907	F538-G904 CarbonylContact O-C 3.23Å; F538-G904 VanDerWaalsContact O-C 3.28Å; F538-G904 WeakPolarHBondContact O-CA 3.35Å; F538-G904 PolarHBondContact O-N 2.86Å; G902-G904 PolarHBondContact O-N 3.08Å; G904-G906 PolarHBondContact O-N 3.36Å; G904-G906 VanDerWaalsContact O-N 3.14Å; G904-L907 WeakPolarHBondContact O-CB 3.36Å; G904-L907 PolarHBondContact O-N 3.19Å
905	W	89	Confident	76.8	Confident	19 Å²	19	43.1 Å²	43.1	7%	0.072	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.6	-20.8	-178.2	-76.7	106	0	0	0	114.3	F538 P540 F545 F548 G902 L907 N908 I909 Y924 P934 V937	F538-W905 PolarHBondContact O-N 3.45Å; P540-W905 HydrophobicContact CB-CB 4.44Å; P540-W905 HydrophobicContact CG-CB 4Å; F545-W905 HydrophobicContact CE1-CD2 4.28Å; F545-W905 HydrophobicContact CE1-CE3 4.17Å; F545-W905 HydrophobicContact CE1-CG 4.47Å; F545-W905 HydrophobicContact CZ-CD2 4.34Å; F545-W905 AromaticContact CZ-CE3 3.79Å; F545-W905 HydrophobicContact CZ-CE3 3.79Å; F545-W905 HydrophobicContact CZ-CZ3 4.28Å; F548-W905 AromaticContact CE2-CD1 3.82Å; F548-W905 HydrophobicContact CE2-CG 4.35Å; F548-W905 AromaticContact CE2-NE1 3.65Å; F548-W905 AromaticContact CZ-CD1 3.63Å; F548-W905 AromaticContact CZ-NE1 3.34Å; F548-W905 VanDerWaalsContact CZ-NE1 3.34Å; G902-W905 WeakPolarHBondContact O-CB 3.41Å; G902-W905 PolarHBondContact O-N 3.33Å; G902-W905 VanDerWaalsContact O-N 3.17Å; W905-L907 PolarHBondContact O-N 3.43Å; W905-L907 VanDerWaalsContact O-N 3.1Å; W905-N908 CarbonylContact O-C 3.39Å; W905-N908 PolarHBondContact O-N 3.35Å; W905-I909 WeakPolarHBondContact O-CG1 3.48Å; W905-Y924 HydrophobicContact CE3-CE1 4.5Å; W905-Y924 HydrophobicContact CH2-CD1 4.47Å; W905-Y924 AromaticContact CH2-CE1 3.67Å; W905-Y924 HydrophobicContact CH2-CE1 3.67Å; W905-Y924 AromaticContact CZ3-CD1 3.79Å; W905-Y924 HydrophobicContact CZ3-CD1 3.79Å; W905-Y924 AromaticContact CZ3-CE1 3.39Å; W905-Y924 HydrophobicContact CZ3-CE1 3.39Å; W905-P934 HydrophobicContact CH2-CG 3.91Å; W905-P934 HydrophobicContact CZ3-CG 3.69Å; W905-V937 HydrophobicContact CD2-CG2 4.33Å; W905-V937 HydrophobicContact CE3-CG2 4.24Å
906	G	88.8	Confident	75.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.7	-20.4	170.8	0	0	0	0	0	114.1	F538 K539 Q870 A873 G904	F538-G906 PolarHBondContact O-N 3.14Å; K539-G906 WeakPolarHBondContact O-CA 3.25Å; K539-G906 PolarHBondContact O-N 2.86Å; Q870-G906 WeakPolarHBondContact CA-O 3.45Å; A873-G906 WeakPolarHBondContact CB-O 3.33Å; G904-G906 PolarHBondContact O-N 3.36Å; G904-G906 VanDerWaalsContact O-N 3.14Å
907	L	90.1	Very high	73.9	Confident	2 Å²	2	53 Å²	53	1%	0.01	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-86.5	-7.2	175.5	-64.6	167.2	0	0	0	114.1	F538 A873 E874 W877 G904 W905 K936 F940	F538-L907 HydrophobicContact CD1-CD1 4.14Å; F538-L907 HydrophobicContact CD1-CD2 4.17Å; F538-L907 HydrophobicContact CD1-CG 4.01Å; F538-L907 HydrophobicContact CE1-CD1 4.46Å; F538-L907 HydrophobicContact CE1-CD2 4.18Å; F538-L907 HydrophobicContact CE1-CG 4.45Å; A873-L907 VanDerWaalsContact C-CD2 3.47Å; A873-L907 HydrophobicContact CB-CD2 3.68Å; A873-L907 HydrophobicContact CB-CG 4.19Å; E874-L907 HydrophobicContact CG-CD2 4.11Å; W877-L907 HydrophobicContact CB-CD2 3.85Å; W877-L907 HydrophobicContact CG-CD1 4.3Å; W877-L907 HydrophobicContact CG-CD2 4.21Å; G904-L907 WeakPolarHBondContact O-CB 3.36Å; G904-L907 PolarHBondContact O-N 3.19Å; W905-L907 PolarHBondContact O-N 3.43Å; W905-L907 VanDerWaalsContact O-N 3.1Å; L907-K936 HydrophobicContact CB-CB 4.45Å; L907-K936 WeakPolarHBondContact O-CD 3.36Å; L907-F940 HydrophobicContact CD1-CB 3.62Å; L907-F940 HydrophobicContact CD1-CD2 3.67Å; L907-F940 HydrophobicContact CD1-CG 3.66Å
908	N	88.3	Confident	72.5	Confident	19 Å²	19	56 Å²	56	10%	0.102	32%	0.321	C	S	.	.			trans	-147.5	61.9	-171.9	-159.2	110.1	0	0	0	110.6	W905 P934 V937	W905-N908 CarbonylContact O-C 3.39Å; W905-N908 PolarHBondContact O-N 3.35Å; N908-P934 HydrophobicContact CB-CB 4.32Å; N908-P934 HydrophobicContact CB-CG 4.49Å; N908-P934 WeakPolarHBondContact OD1-CB 3.39Å; N908-V937 HydrophobicContact CB-CG2 3.91Å
909	I	83.3	Confident	71.2	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	35%	0.346	C	S	.	.			trans	-91.3	-28.6	-179	-60.8	-174.5	0	0	0	111.4	M541 F545 A866 W869 W905 I923 Y924	M541-I909 HydrophobicContact CB-CD1 3.89Å; F545-I909 HydrophobicContact CD2-CG2 4.11Å; F545-I909 HydrophobicContact CE2-CG2 4.29Å; A866-I909 HydrophobicContact CB-CG2 3.68Å; W869-I909 HydrophobicContact CB-CD1 4.14Å; W869-I909 HydrophobicContact CG-CD1 3.95Å; W905-I909 WeakPolarHBondContact O-CG1 3.48Å; I909-I923 HydrophobicContact CG2-CG2 4.49Å; I909-Y924 VanDerWaalsContact O-CB 3.28Å; I909-Y924 WeakPolarHBondContact O-CB 3.35Å; I909-Y924 PolarHBondContact O-N 3.01Å
910	L	81.8	Confident	70.3	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.047	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-97.4	151.3	177.4	-55.6	-175.3	0	0	0	111.3	L863 A866 R867 E912	L863-L910 HydrophobicContact CD1-CD2 3.56Å; A866-L910 HydrophobicContact CB-CD2 3.93Å; R867-L910 HydrophobicContact CB-CD1 3.98Å; R867-L910 HydrophobicContact CG-CD1 4.12Å; L910-E912 HydrophobicContact CB-CG 4.33Å
911	N	74.4	Confident	69.9	Low	60 Å²	60	62.4 Å²	62.4	32%	0.321	34%	0.337	S	S	.	.			trans	-85	107.2	165	-166.7	28.1	0	0	0	109	Q913 S922	N911-Q913 VanDerWaalsContact C-N 3.33Å; N911-Q913 PolarHBondContact O-N 3.44Å; N911-S922 PolarHBondContact N-O 3.29Å
912	E	64	Low	69.5	Low	107 Å²	107	64.3 Å²	64.3	50%	0.5	35%	0.349	S	S	.	.			trans	-96.3	26.2	-171.7	-61.3	178.4	154.6	0	0	112.7	Q870 L910 K936	Q870-E912 PolarHBondContact NE2-OE1 3.21Å; L910-E912 HydrophobicContact CB-CG 4.33Å; E912-K936 VanDerWaalsContact CD-NZ 3.33Å; E912-K936 IonicContact OE1-NZ 3.72Å; E912-K936 PolarHBondContact OE1-NZ 3.04Å; E912-K936 IonicContact OE2-NZ 3.92Å; E912-K936 PolarHBondContact OE2-NZ 3.34Å
913	Q	52.2	Low	69.1	Low	168 Å²	168	65.3 Å²	65.3	79%	0.785	35%	0.354	S	S	*	.			trans	-123	29.2	-157.7	-143.3	168.6	17.6	0	0	114.7	N911	N911-Q913 VanDerWaalsContact C-N 3.33Å; N911-Q913 PolarHBondContact O-N 3.44Å
914	S	42.2	Very low	68.4	Low	44 Å²	44	67.8 Å²	67.8	31%	0.308	36%	0.364	S	S	.	.			trans	-109.9	105.4	169.8	55.3	0	0	0	0	109.8	N916	S914-N916 PolarHBondContact O-N 2.64Å
915	D	48.2	Very low	67.3	Low	170 Å²	170	74.2 Å²	74.2	91%	0.909	39%	0.392	S	S	*	.			trans	-66	-0.6	174.1	-65.1	-53.3	0	0	0	113.4
916	N	47.4	Very low	65.9	Low	107 Å²	107	75.1 Å²	75.1	57%	0.572	40%	0.4	S	S	*	.			trans	-87.4	105	169.9	-64.2	-44.6	0	0	0	110.2	S914 S918 E919	S914-N916 PolarHBondContact O-N 2.64Å; N916-S918 PolarHBondContact O-N 3.2Å; N916-E919 PolarHBondContact O-N 3.5Å; N916-E919 VanDerWaalsContact O-N 3.14Å
917	D	52.8	Low	64.3	Low	177 Å²	177	80.9 Å²	80.9	95%	0.947	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-11.4	170.8	-78	-45.7	0	0	0	114.4
918	S	49.5	Very low	62.1	Low	122 Å²	122	88.2 Å²	88.2	85%	0.853	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.2	-179.4	-55.6	0	0	0	0	114.5	N916	N916-S918 PolarHBondContact O-N 3.2Å
919	E	55.2	Low	60.2	Low	126 Å²	126	95.4 Å²	95.4	59%	0.589	50%	0.5	S	S	*	.	S	Bend	trans	-102.8	133.4	-170.2	-162.4	163.9	-165	0	0	111.9	N916	N916-E919 PolarHBondContact O-N 3.5Å; N916-E919 VanDerWaalsContact O-N 3.14Å
920	L	58.6	Low	58.8	Low	123 Å²	123	104.1 Å²	104.1	64%	0.644	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-73.1	125.3	177.7	-80	167.6	0	0	0	109.5	L863 S922	L863-L920 HydrophobicContact CD2-CD2 4.46Å; L920-S922 PolarHBondContact O-N 3.07Å
921	P	66.4	Low	57.6	Low	30 Å²	30	112 Å²	112	20%	0.195	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-64.7	122.6	-177	25.4	-33.9	0	0	0	110	L863	L863-P921 WeakPolarHBondContact CD1-O 3.47Å
922	S	68.4	Low	57.3	Low	67 Å²	67	116.3 Å²	116.3	47%	0.469	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-74.6	154.1	-177.9	50.8	0	0	0	0	112	N911 L920 Y924	N911-S922 PolarHBondContact N-O 3.29Å; L920-S922 PolarHBondContact O-N 3.07Å; S922-Y924 PolarHBondContact O-N 3.46Å
923	I	73.5	Confident	58	Low	21 Å²	21	114.2 Å²	114.2	11%	0.108	59%	0.592	C	S	.	*	B	Isolated β-bridge	trans	-66.3	123.9	167.5	-62.4	167.6	0	0	0	107.5	V544 Q862 A866 I909 K925	V544-I923 HydrophobicContact CG1-CD1 3.86Å; V544-I923 HydrophobicContact CG1-CG2 4.49Å; Q862-I923 HydrophobicContact CB-CD1 3.92Å; A866-I923 HydrophobicContact CB-CD1 4.5Å; A866-I923 HydrophobicContact CB-CG1 4.21Å; I909-I923 HydrophobicContact CG2-CG2 4.49Å; I923-K925 PolarHBondContact O-N 3.33Å
924	Y	73.2	Confident	59.6	Low	51 Å²	51	107.3 Å²	107.3	20%	0.2	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-62.1	116.6	-179.4	-174.3	-82.7	0	0	0	109.8	F545 W905 I909 S922 P926	F545-Y924 HydrophobicContact CE2-CD1 4.42Å; F545-Y924 WeakPolarHBondContact CE2-O 3.29Å; F545-Y924 AromaticContact CZ-CD1 3.91Å; F545-Y924 HydrophobicContact CZ-CD1 3.91Å; F545-Y924 WeakPolarHBondContact CZ-O 3.42Å; W905-Y924 HydrophobicContact CE3-CE1 4.5Å; W905-Y924 HydrophobicContact CH2-CD1 4.47Å; W905-Y924 AromaticContact CH2-CE1 3.67Å; W905-Y924 HydrophobicContact CH2-CE1 3.67Å; W905-Y924 AromaticContact CZ3-CD1 3.79Å; W905-Y924 HydrophobicContact CZ3-CD1 3.79Å; W905-Y924 AromaticContact CZ3-CE1 3.39Å; W905-Y924 HydrophobicContact CZ3-CE1 3.39Å; I909-Y924 VanDerWaalsContact O-CB 3.28Å; I909-Y924 WeakPolarHBondContact O-CB 3.35Å; I909-Y924 PolarHBondContact O-N 3.01Å; S922-Y924 PolarHBondContact O-N 3.46Å; Y924-P926 HydrophobicContact CD1-CB 4.47Å; Y924-P926 HydrophobicContact CE1-CB 4.04Å
925	K	65.7	Low	61.8	Low	135 Å²	135	110.6 Å²	110.6	59%	0.587	57%	0.572	S	S	*	*			trans	-101.2	108.6	176.9	-71	165.3	-172.8	169.6	0	107.4	I923 T927	I923-K925 PolarHBondContact O-N 3.33Å; K925-T927 PolarHBondContact O-N 2.88Å
926	P	60.8	Low	63.7	Low	39 Å²	39	105.6 Å²	105.6	25%	0.253	54%	0.542	S	S	.	.			trans	-69	94.2	-175.6	27.7	-35	0	0	0	111.2	F545 P546 Y924 I928	F545-P926 HydrophobicContact CD1-CG 4.42Å; F545-P926 HydrophobicContact CE1-CG 3.84Å; F545-P926 HydrophobicContact CZ-CG 4.43Å; P546-P926 WeakPolarHBondContact O-CG 3.34Å; Y924-P926 HydrophobicContact CD1-CB 4.47Å; Y924-P926 HydrophobicContact CE1-CB 4.04Å; P926-I928 PolarHBondContact O-N 3.48Å
927	T	53.8	Low	65.7	Low	120 Å²	120	100.5 Å²	100.5	74%	0.736	52%	0.515	S	S	*	.			trans	-76.9	108.5	176.3	47.9	0	0	0	0	110.9	K925	K925-T927 PolarHBondContact O-N 2.88Å
928	I	45.4	Very low	67.4	Low	156 Å²	156	94.3 Å²	94.3	80%	0.8	48%	0.481	S	S	*	.	S	Bend	trans	71.9	135	173.5	-50.2	175.6	0	0	0	113.5	P926	P926-I928 PolarHBondContact O-N 3.48Å
929	Y	47.7	Very low	69.5	Low	171 Å²	171	92.9 Å²	92.9	67%	0.671	46%	0.461	S	S	*	.	S	Bend	trans	-68.4	154.6	179.8	-67.9	-95.9	0	0	0	112.1	Q931	Y929-Q931 PolarHBondContact O-N 2.88Å
930	Q	53.4	Low	71.3	Confident	183 Å²	183	87 Å²	87	86%	0.855	43%	0.434	S	S	*	.	S	Bend	trans	79.6	-35.2	164.4	-55.6	177.1	-4.8	0	0	120
931	Q	56.1	Low	72.9	Confident	176 Å²	176	81.7 Å²	81.7	82%	0.822	41%	0.405	S	S	*	.	S	Bend	trans	-84.4	-34.1	-161.4	-70.7	-165.6	-11	0	0	117.9	Y929	Y929-Q931 PolarHBondContact O-N 2.88Å
932	N	68.7	Low	74.1	Confident	149 Å²	149	84.2 Å²	84.2	80%	0.797	41%	0.414	S	S	*	.			trans	-137.1	113.9	174.9	-82.4	-46.8	0	0	0	110.7
933	I	79.3	Confident	75.3	Confident	63 Å²	63	82.6 Å²	82.6	32%	0.323	40%	0.398	S	S	.	.			trans	-104.1	130.3	174.7	-58.8	176.8	0	0	0	107.8	V937 L938	I933-V937 HydrophobicContact CG2-CB 3.91Å; I933-V937 HydrophobicContact CG2-CG1 3.85Å; I933-L938 HydrophobicContact CB-CD2 3.97Å; I933-L938 HydrophobicContact CB-CG 4.17Å; I933-L938 HydrophobicContact CD1-CD2 4.24Å; I933-L938 HydrophobicContact CG2-CD2 3.76Å; I933-L938 HydrophobicContact CG2-CG 3.9Å
934	P	86	Confident	76.3	Confident	23 Å²	23	81.7 Å²	81.7	15%	0.149	39%	0.393	C	S	.	.			trans	-60.7	141.6	-179.8	-23.7	33	0	0	0	113	W905 N908 K936 V937 L938	W905-P934 HydrophobicContact CH2-CG 3.91Å; W905-P934 HydrophobicContact CZ3-CG 3.69Å; N908-P934 HydrophobicContact CB-CB 4.32Å; N908-P934 HydrophobicContact CB-CG 4.49Å; N908-P934 WeakPolarHBondContact OD1-CB 3.39Å; P934-K936 VanDerWaalsContact C-N 3.3Å; P934-K936 PolarHBondContact O-N 3.02Å; P934-V937 HydrophobicContact CB-CG2 4.19Å; P934-V937 HydrophobicContact CG-CG2 4.41Å; P934-V937 WeakPolarHBondContact O-CA 3.36Å; P934-V937 VanDerWaalsContact O-CB 3.3Å; P934-V937 WeakPolarHBondContact O-CB 3.38Å; P934-V937 PolarHBondContact O-N 3.01Å; P934-L938 PolarHBondContact O-N 2.96Å
935	E	87	Confident	77.1	Confident	113 Å²	113	80.7 Å²	80.7	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-56.7	-40.2	-175.3	179.3	58.4	-165.7	0	0	113	V937 L938 Q939	E935-V937 PolarHBondContact O-N 3.47Å; E935-V937 VanDerWaalsContact O-N 3.15Å; E935-L938 PolarHBondContact O-N 3.39Å; E935-L938 VanDerWaalsContact O-N 3.11Å; E935-Q939 HydrophobicContact CG-CG 4.27Å; E935-Q939 WeakPolarHBondContact O-CG 3.46Å; E935-Q939 PolarHBondContact O-N 3.1Å; E935-Q939 VanDerWaalsContact OE1-CG 3.25Å; E935-Q939 WeakPolarHBondContact OE1-CG 3.32Å; E935-Q939 PolarHBondContact OE1-NE2 3.22Å
936	K	88.5	Confident	78.4	Confident	66 Å²	66	79.4 Å²	79.4	29%	0.287	39%	0.39	S	S	.	.	H	α-helix	trans	-52.2	-36.3	172.4	-70	-177.6	175.4	180	0	112.8	E874 L907 E912 P934 F940	E874-K936 IonicContact OE1-NZ 2.75Å; L907-K936 HydrophobicContact CB-CB 4.45Å; L907-K936 WeakPolarHBondContact O-CD 3.36Å; E912-K936 VanDerWaalsContact CD-NZ 3.33Å; E912-K936 IonicContact OE1-NZ 3.72Å; E912-K936 PolarHBondContact OE1-NZ 3.04Å; E912-K936 IonicContact OE2-NZ 3.92Å; E912-K936 PolarHBondContact OE2-NZ 3.34Å; P934-K936 VanDerWaalsContact C-N 3.3Å; P934-K936 PolarHBondContact O-N 3.02Å; K936-F940 WeakPolarHBondContact O-CB 3.45Å; K936-F940 PolarHBondContact O-N 3.44Å
937	V	89.6	Confident	80	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-79.5	-37.4	-178.7	-178.7	0	0	0	0	110.9	W905 N908 I933 P934 E935 R941	W905-V937 HydrophobicContact CD2-CG2 4.33Å; W905-V937 HydrophobicContact CE3-CG2 4.24Å; N908-V937 HydrophobicContact CB-CG2 3.91Å; I933-V937 HydrophobicContact CG2-CB 3.91Å; I933-V937 HydrophobicContact CG2-CG1 3.85Å; P934-V937 HydrophobicContact CB-CG2 4.19Å; P934-V937 HydrophobicContact CG-CG2 4.41Å; P934-V937 WeakPolarHBondContact O-CA 3.36Å; P934-V937 VanDerWaalsContact O-CB 3.3Å; P934-V937 WeakPolarHBondContact O-CB 3.38Å; P934-V937 PolarHBondContact O-N 3.01Å; E935-V937 PolarHBondContact O-N 3.47Å; E935-V937 VanDerWaalsContact O-N 3.15Å; V937-R941 VanDerWaalsContact O-CG 3.29Å; V937-R941 WeakPolarHBondContact O-CG 3.43Å; V937-R941 PolarHBondContact O-N 3.46Å
938	L	89.3	Confident	82	Confident	46 Å²	46	73.1 Å²	73.1	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-52.2	176.2	-66.9	177.6	0	0	0	111.5	I933 P934 E935 F940 R941 E942	I933-L938 HydrophobicContact CB-CD2 3.97Å; I933-L938 HydrophobicContact CB-CG 4.17Å; I933-L938 HydrophobicContact CD1-CD2 4.24Å; I933-L938 HydrophobicContact CG2-CD2 3.76Å; I933-L938 HydrophobicContact CG2-CG 3.9Å; P934-L938 PolarHBondContact O-N 2.96Å; E935-L938 PolarHBondContact O-N 3.39Å; E935-L938 VanDerWaalsContact O-N 3.11Å; L938-F940 VanDerWaalsContact C-N 3.26Å; L938-F940 PolarHBondContact O-N 3.02Å; L938-R941 PolarHBondContact O-N 3.18Å; L938-R941 VanDerWaalsContact O-N 3.11Å; L938-E942 WeakPolarHBondContact O-CB 3.39Å; L938-E942 PolarHBondContact O-N 3.42Å
939	Q	91.9	Very high	84.4	Confident	93 Å²	93	66.2 Å²	66.2	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-55.4	-41	178.2	-68.4	179.3	1.2	0	0	112.5	E935 E942 W943	E935-Q939 HydrophobicContact CG-CG 4.27Å; E935-Q939 WeakPolarHBondContact O-CG 3.46Å; E935-Q939 PolarHBondContact O-N 3.1Å; E935-Q939 VanDerWaalsContact OE1-CG 3.25Å; E935-Q939 WeakPolarHBondContact OE1-CG 3.32Å; E935-Q939 PolarHBondContact OE1-NE2 3.22Å; Q939-E942 PolarHBondContact O-N 3.25Å; Q939-W943 WeakPolarHBondContact O-CB 3.48Å; Q939-W943 PolarHBondContact O-N 3.45Å
940	F	93.5	Very high	86.6	Confident	1 Å²	1	58 Å²	58	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-47.1	176.8	179.1	-99.6	0	0	0	112.7	F538 W877 V903 L907 K936 L938 W943 L944	F538-F940 HydrophobicContact CB-CE1 3.79Å; F538-F940 HydrophobicContact CB-CE2 4.48Å; F538-F940 HydrophobicContact CB-CZ 3.75Å; F538-F940 HydrophobicContact CD1-CD2 4.16Å; F538-F940 HydrophobicContact CD1-CE1 4.36Å; F538-F940 AromaticContact CD1-CE2 3.61Å; F538-F940 HydrophobicContact CD1-CE2 3.61Å; F538-F940 AromaticContact CD1-CZ 3.73Å; F538-F940 HydrophobicContact CD1-CZ 3.73Å; F538-F940 HydrophobicContact CD2-CE1 4.18Å; F538-F940 AromaticContact CD2-CE2 3.75Å; F538-F940 HydrophobicContact CD2-CE2 3.75Å; F538-F940 AromaticContact CD2-CZ 3.28Å; F538-F940 HydrophobicContact CD2-CZ 3.28Å; F538-F940 HydrophobicContact CE1-CD2 4.2Å; F538-F940 AromaticContact CE1-CE2 3.58Å; F538-F940 HydrophobicContact CE1-CE2 3.58Å; F538-F940 HydrophobicContact CE1-CZ 4.1Å; F538-F940 AromaticContact CE2-CE2 3.71Å; F538-F940 HydrophobicContact CE2-CE2 3.71Å; F538-F940 AromaticContact CE2-CZ 3.67Å; F538-F940 HydrophobicContact CE2-CZ 3.67Å; F538-F940 AromaticContact CG-CE1 3.86Å; F538-F940 HydrophobicContact CG-CE1 3.86Å; F538-F940 AromaticContact CG-CE2 3.68Å; F538-F940 HydrophobicContact CG-CE2 3.68Å; F538-F940 AromaticContact CG-CZ 3.29Å; F538-F940 HydrophobicContact CG-CZ 3.29Å; F538-F940 AromaticContact CZ-CE2 3.61Å; F538-F940 HydrophobicContact CZ-CE2 3.61Å; F538-F940 HydrophobicContact CZ-CZ 4.05Å; W877-F940 HydrophobicContact CD2-CD2 4.02Å; W877-F940 AromaticContact CE3-CD2 3.46Å; W877-F940 HydrophobicContact CE3-CD2 3.46Å; W877-F940 VanDerWaalsContact CE3-CD2 3.46Å; W877-F940 AromaticContact CE3-CE2 3.89Å; W877-F940 HydrophobicContact CE3-CE2 3.89Å; W877-F940 HydrophobicContact CH2-CB 4.49Å; W877-F940 HydrophobicContact CH2-CD2 4.19Å; W877-F940 AromaticContact CZ3-CD2 3.57Å; W877-F940 HydrophobicContact CZ3-CD2 3.57Å; W877-F940 HydrophobicContact CZ3-CE2 4.11Å; V903-F940 HydrophobicContact CG1-CD1 4.47Å; V903-F940 HydrophobicContact CG1-CE1 3.69Å; L907-F940 HydrophobicContact CD1-CB 3.62Å; L907-F940 HydrophobicContact CD1-CD2 3.67Å; L907-F940 HydrophobicContact CD1-CG 3.66Å; K936-F940 WeakPolarHBondContact O-CB 3.45Å; K936-F940 PolarHBondContact O-N 3.44Å; L938-F940 VanDerWaalsContact C-N 3.26Å; L938-F940 PolarHBondContact O-N 3.02Å; F940-W943 PolarHBondContact O-N 3.22Å; F940-L944 HydrophobicContact CD1-CD1 4.07Å; F940-L944 HydrophobicContact CE1-CD1 3.33Å; F940-L944 HydrophobicContact CE1-CG 4.13Å; F940-L944 HydrophobicContact CZ-CD1 3.59Å; F940-L944 HydrophobicContact CZ-CG 4.05Å; F940-L944 PolarHBondContact O-N 3.42Å; F940-L944 VanDerWaalsContact O-N 3.08Å
941	R	92.1	Very high	88.6	Confident	13 Å²	13	49.8 Å²	49.8	5%	0.049	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-40.2	177.8	-71.4	171.9	176	-167.2	-4.2	111.4	L898 C899 V903 V937 L938 L944 S945 H971	L898-R941 HydrophobicContact CD1-CG 4.32Å; L898-R941 PolarHBondContact O-NH2 3.23Å; C899-R941 PolarHBondContact SG-NH1 2.94Å; V903-R941 VanDerWaalsContact O-CZ 3.28Å; V903-R941 PolarHBondContact O-NE 3.38Å; V903-R941 PolarHBondContact O-NH2 3.18Å; V937-R941 VanDerWaalsContact O-CG 3.29Å; V937-R941 WeakPolarHBondContact O-CG 3.43Å; V937-R941 PolarHBondContact O-N 3.46Å; L938-R941 PolarHBondContact O-N 3.18Å; L938-R941 VanDerWaalsContact O-N 3.11Å; R941-L944 PolarHBondContact O-N 2.95Å; R941-S945 WeakPolarHBondContact O-CB 3.23Å; R941-S945 PolarHBondContact O-N 3Å; R941-H971 HydrophobicContact CB-CB 3.74Å
942	E	92.3	Very high	90.3	Very high	82 Å²	82	42.4 Å²	42.4	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-49.2	176.6	-174.5	162.1	-176.4	0	0	111.6	L938 Q939 L944 S945 Q946 H971	L938-E942 WeakPolarHBondContact O-CB 3.39Å; L938-E942 PolarHBondContact O-N 3.42Å; Q939-E942 PolarHBondContact O-N 3.25Å; E942-L944 VanDerWaalsContact C-N 3.27Å; E942-L944 PolarHBondContact O-N 3.31Å; E942-S945 WeakPolarHBondContact O-CB 3.3Å; E942-S945 PolarHBondContact O-N 3.02Å; E942-S945 VanDerWaalsContact O-N 3.08Å; E942-Q946 HydrophobicContact CG-CG 4.14Å; E942-Q946 WeakPolarHBondContact O-CB 3.28Å; E942-Q946 WeakPolarHBondContact O-CG 3.42Å; E942-Q946 PolarHBondContact O-N 2.94Å; E942-Q946 PolarHBondContact OE1-NE2 2.86Å; E942-H971 WeakPolarHBondContact CB-ND1 3.41Å; E942-H971 IonicContact OE2-CE1 2.61Å; E942-H971 IonicContact OE2-ND1 3.43Å
943	W	94.2	Very high	91.5	Very high	34 Å²	34	36.7 Å²	36.7	13%	0.129	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-39.6	177.4	-177.9	94.5	0	0	0	112.1	W877 L880 V884 V887 Q939 F940 N947	W877-W943 HydrophobicContact CH2-CB 3.55Å; W877-W943 HydrophobicContact CH2-CD2 4.25Å; W877-W943 AromaticContact CH2-CG 3.74Å; W877-W943 HydrophobicContact CH2-CG 3.74Å; W877-W943 HydrophobicContact CZ3-CB 3.97Å; W877-W943 AromaticContact CZ3-CD2 3.83Å; W877-W943 HydrophobicContact CZ3-CD2 3.83Å; W877-W943 AromaticContact CZ3-CE3 3.95Å; W877-W943 HydrophobicContact CZ3-CE3 3.95Å; W877-W943 AromaticContact CZ3-CG 3.84Å; W877-W943 HydrophobicContact CZ3-CG 3.84Å; L880-W943 HydrophobicContact CB-CH2 3.91Å; L880-W943 HydrophobicContact CB-CZ2 4.28Å; L880-W943 HydrophobicContact CB-CZ3 4.33Å; L880-W943 HydrophobicContact CD1-CH2 4.43Å; L880-W943 HydrophobicContact CD1-CZ3 4.17Å; V884-W943 HydrophobicContact CB-CH2 4.25Å; V884-W943 HydrophobicContact CB-CZ2 4.41Å; V884-W943 HydrophobicContact CG1-CH2 4.07Å; V887-W943 HydrophobicContact CG2-CH2 4.15Å; V887-W943 HydrophobicContact CG2-CZ3 4.3Å; Q939-W943 WeakPolarHBondContact O-CB 3.48Å; Q939-W943 PolarHBondContact O-N 3.45Å; F940-W943 PolarHBondContact O-N 3.22Å; W943-N947 VanDerWaalsContact O-CB 3.29Å; W943-N947 WeakPolarHBondContact O-CB 3.41Å; W943-N947 PolarHBondContact O-N 3.08Å; W943-N947 PolarHBondContact O-ND2 3.44Å
944	L	93.2	Very high	92.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-47.9	172.1	-80.9	179	0	0	0	112	L898 V903 F940 R941 E942 Q946 N947 S948 I973	L898-L944 HydrophobicContact CD1-CD1 4.22Å; V903-L944 HydrophobicContact CG1-CD1 4.21Å; F940-L944 HydrophobicContact CD1-CD1 4.07Å; F940-L944 HydrophobicContact CE1-CD1 3.33Å; F940-L944 HydrophobicContact CE1-CG 4.13Å; F940-L944 HydrophobicContact CZ-CD1 3.59Å; F940-L944 HydrophobicContact CZ-CG 4.05Å; F940-L944 PolarHBondContact O-N 3.42Å; F940-L944 VanDerWaalsContact O-N 3.08Å; R941-L944 PolarHBondContact O-N 2.95Å; E942-L944 VanDerWaalsContact C-N 3.27Å; E942-L944 PolarHBondContact O-N 3.31Å; L944-Q946 VanDerWaalsContact C-N 3.35Å; L944-Q946 PolarHBondContact O-N 3.14Å; L944-N947 PolarHBondContact O-N 3.46Å; L944-S948 WeakPolarHBondContact O-CA 3.39Å; L944-S948 WeakPolarHBondContact O-CB 3.3Å; L944-S948 PolarHBondContact O-N 2.89Å; L944-S948 PolarHBondContact O-OG 3.08Å; L944-I973 HydrophobicContact CB-CD1 4.16Å; L944-I973 HydrophobicContact CB-CG1 4.24Å; L944-I973 HydrophobicContact CD1-CD1 4.49Å
945	S	91.5	Very high	92.3	Very high	30 Å²	30	39.8 Å²	39.8	21%	0.21	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-43.1	178.1	-173.1	0	0	0	0	112.6	R941 E942 H971 A972 P974	R941-S945 WeakPolarHBondContact O-CB 3.23Å; R941-S945 PolarHBondContact O-N 3Å; E942-S945 WeakPolarHBondContact O-CB 3.3Å; E942-S945 PolarHBondContact O-N 3.02Å; E942-S945 VanDerWaalsContact O-N 3.08Å; S945-H971 WeakPolarHBondContact CB-O 3.37Å; S945-A972 WeakPolarHBondContact CB-O 3.41Å; S945-A972 PolarHBondContact OG-O 3.16Å; S945-P974 WeakPolarHBondContact O-CD 3.43Å
946	Q	91.9	Very high	92.6	Very high	109 Å²	109	38.7 Å²	38.7	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-72.2	-37.7	178.9	-68	-178.7	6.1	0	0	113	E942 L944 K1001	E942-Q946 HydrophobicContact CG-CG 4.14Å; E942-Q946 WeakPolarHBondContact O-CB 3.28Å; E942-Q946 WeakPolarHBondContact O-CG 3.42Å; E942-Q946 PolarHBondContact O-N 2.94Å; E942-Q946 PolarHBondContact OE1-NE2 2.86Å; L944-Q946 VanDerWaalsContact C-N 3.35Å; L944-Q946 PolarHBondContact O-N 3.14Å; Q946-K1001 WeakPolarHBondContact O-CE 3.18Å; Q946-K1001 PolarHBondContact O-NZ 2.68Å
947	N	94.6	Very high	92.8	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	22%	0.222	C	C	.	.	H	α-helix	trans	-110.9	5.1	-168.3	-59.8	-63.4	0	0	0	115.2	A886 V887 W943 L944 K1001	A886-N947 WeakPolarHBondContact CA-O 3.29Å; V887-N947 PolarHBondContact N-O 3.15Å; W943-N947 VanDerWaalsContact O-CB 3.29Å; W943-N947 WeakPolarHBondContact O-CB 3.41Å; W943-N947 PolarHBondContact O-N 3.08Å; W943-N947 PolarHBondContact O-ND2 3.44Å; L944-N947 PolarHBondContact O-N 3.46Å; N947-K1001 PolarHBondContact OD1-NZ 2.89Å
948	S	95.5	Very high	93	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.3	-179.4	-33.1	0	0	0	0	113.9	V887 L944 P974	V887-S948 WeakPolarHBondContact O-CA 3.18Å; V887-S948 VanDerWaalsContact O-CB 3.29Å; V887-S948 WeakPolarHBondContact O-CB 3.47Å; L944-S948 WeakPolarHBondContact O-CA 3.39Å; L944-S948 WeakPolarHBondContact O-CB 3.3Å; L944-S948 PolarHBondContact O-N 2.89Å; L944-S948 PolarHBondContact O-OG 3.08Å; S948-P974 WeakPolarHBondContact O-CD 3.4Å
949	V	95.2	Very high	93.1	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.4	166.8	-64.6	0	0	0	0	109.8	V887 V888 F889 Y951 P974 L976 F997	V887-V949 PolarHBondContact O-N 2.96Å; V888-V949 HydrophobicContact CG1-CG2 4.35Å; V888-V949 HydrophobicContact CG2-CG2 3.9Å; F889-V949 PolarHBondContact N-O 3.39Å; V949-Y951 HydrophobicContact CG2-CD2 4.28Å; V949-Y951 HydrophobicContact CG2-CE2 3.66Å; V949-P974 WeakPolarHBondContact CA-O 3.28Å; V949-P974 HydrophobicContact CG1-CB 4.31Å; V949-L976 HydrophobicContact CB-CD1 4.08Å; V949-L976 HydrophobicContact CG1-CD1 4.15Å; V949-F997 HydrophobicContact CG1-CD2 4.19Å; V949-F997 HydrophobicContact CG1-CE1 4.46Å; V949-F997 HydrophobicContact CG1-CE2 3.71Å; V949-F997 HydrophobicContact CG1-CZ 3.86Å; V949-F997 HydrophobicContact CG2-CD1 3.98Å; V949-F997 HydrophobicContact CG2-CE1 3.87Å; V949-F997 HydrophobicContact CG2-CE2 4.43Å; V949-F997 HydrophobicContact CG2-CG 4.3Å; V949-F997 HydrophobicContact CG2-CZ 4.11Å
950	N	95	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.3	175.6	-172.6	26.2	0	0	0	110.8	F889 S892 V895 L896 V952 I973 P974 T975 L976	F889-N950 HydrophobicContact CB-CB 4.03Å; F889-N950 WeakPolarHBondContact CB-OD1 3.4Å; F889-N950 WeakPolarHBondContact O-CA 3.26Å; F889-N950 PolarHBondContact O-OD1 2.91Å; S892-N950 PolarHBondContact O-ND2 2.92Å; V895-N950 HydrophobicContact CG2-CB 4.03Å; V895-N950 VanDerWaalsContact CG2-ND2 3.32Å; V895-N950 WeakPolarHBondContact CG2-ND2 3.48Å; L896-N950 WeakPolarHBondContact CD2-ND2 3.3Å; N950-V952 WeakPolarHBondContact ND2-CG1 3.14Å; N950-I973 HydrophobicContact CB-CG2 4.28Å; N950-P974 PolarHBondContact N-O 3.39Å; N950-T975 CarbonylContact O-C 3.55Å; N950-T975 WeakPolarHBondContact O-CA 3.34Å; N950-L976 PolarHBondContact O-N 3.14Å
951	Y	95.3	Very high	93	Very high	9 Å²	9	49 Å²	49	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.3	173.1	-65.7	-88.4	0	0	0	110.5	V888 F889 T890 D891 V949 L976 V990 H993 I994	V888-Y951 HydrophobicContact CG1-CD2 3.81Å; V888-Y951 HydrophobicContact CG1-CE2 3.99Å; F889-Y951 PolarHBondContact O-N 3.22Å; T890-Y951 WeakPolarHBondContact CA-O 3.46Å; D891-Y951 PolarHBondContact N-O 3.08Å; V949-Y951 HydrophobicContact CG2-CD2 4.28Å; V949-Y951 HydrophobicContact CG2-CE2 3.66Å; Y951-L976 WeakPolarHBondContact CA-O 3.44Å; Y951-L976 HydrophobicContact CD1-CB 3.87Å; Y951-L976 HydrophobicContact CD1-CD1 4.43Å; Y951-L976 HydrophobicContact CE1-CB 3.98Å; Y951-L976 HydrophobicContact CE1-CD1 3.79Å; Y951-V990 HydrophobicContact CD1-CB 4.12Å; Y951-V990 HydrophobicContact CD1-CG1 3.71Å; Y951-V990 HydrophobicContact CD2-CB 4.43Å; Y951-V990 HydrophobicContact CD2-CG2 4.4Å; Y951-V990 HydrophobicContact CE1-CB 4.41Å; Y951-V990 HydrophobicContact CE1-CG1 4.39Å; Y951-V990 HydrophobicContact CG-CB 4.13Å; Y951-V990 HydrophobicContact CG-CG1 3.84Å; Y951-V990 HydrophobicContact CG-CG2 4.38Å; Y951-H993 HydrophobicContact CE1-CB 4.49Å; Y951-I994 HydrophobicContact CD2-CG1 4.37Å; Y951-I994 HydrophobicContact CE2-CG1 3.95Å
952	V	92.7	Very high	92.7	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.4	-177	-61.2	0	0	0	0	112	L896 N950 A954 L962 T975 L976 S978	L896-V952 HydrophobicContact CD2-CG1 4.35Å; N950-V952 WeakPolarHBondContact ND2-CG1 3.14Å; V952-A954 PolarHBondContact O-N 3.14Å; V952-A954 VanDerWaalsContact O-N 3.1Å; V952-L962 HydrophobicContact CG2-CD1 3.37Å; V952-T975 HydrophobicContact CG1-CG2 4.12Å; V952-T975 HydrophobicContact CG2-CG2 3.63Å; V952-L976 PolarHBondContact N-O 2.71Å; V952-S978 WeakPolarHBondContact O-CB 3.18Å; V952-S978 PolarHBondContact O-N 2.77Å; V952-S978 VanDerWaalsContact O-N 3.15Å; V952-S978 PolarHBondContact O-OG 3.47Å
953	A	92.5	Very high	91.9	Very high	30 Å²	30	51.3 Å²	51.3	25%	0.248	27%	0.268	C	S	.	.			trans	-58.8	110.3	178.4	0	0	0	0	0	111.7	T980 I986	A953-T980 CarbonylContact C-O 3.43Å; A953-T980 VanDerWaalsContact CA-O 3.25Å; A953-T980 WeakPolarHBondContact CA-O 3.38Å; A953-I986 HydrophobicContact CB-CD1 4.08Å
954	A	92.1	Very high	90.5	Very high	15 Å²	15	54.3 Å²	54.3	12%	0.124	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-155.8	144.2	176.7	0	0	0	0	0	111.4	V952 L956 L962 S977 S979 T980	V952-A954 PolarHBondContact O-N 3.14Å; V952-A954 VanDerWaalsContact O-N 3.1Å; A954-L956 VanDerWaalsContact C-N 3.27Å; A954-L956 PolarHBondContact O-N 3.29Å; A954-L962 HydrophobicContact CB-CD1 3.81Å; A954-L962 HydrophobicContact CB-CD2 4.02Å; A954-S977 PolarHBondContact O-OG 3.45Å; A954-S979 CarbonylContact O-C 3.57Å; A954-S979 WeakPolarHBondContact O-CA 3.38Å; A954-S979 PolarHBondContact O-N 3.07Å; A954-T980 PolarHBondContact N-O 2.86Å; A954-T980 PolarHBondContact O-N 3.16Å; A954-T980 VanDerWaalsContact O-N 3.11Å
955	N	90.9	Very high	89	Confident	136 Å²	136	62.7 Å²	62.7	73%	0.727	33%	0.331	S	S	*	.	S	Bend	trans	-91.4	32.5	179.8	-156	23.5	0	0	0	113.1	T981	N955-T981 HydrophobicContact CB-CG2 3.92Å
956	L	92.9	Very high	87.4	Confident	90 Å²	90	64.1 Å²	64.1	47%	0.471	34%	0.338	S	S	.	.	S	Bend	trans	-101.4	163.4	171.8	-56.7	-173.1	0	0	0	109.8	A954 L958 T960 L962 S977 S979	A954-L956 VanDerWaalsContact C-N 3.27Å; A954-L956 PolarHBondContact O-N 3.29Å; L956-L958 PolarHBondContact O-N 3.28Å; L956-T960 HydrophobicContact CB-CG2 4.25Å; L956-T960 HydrophobicContact CD1-CG2 3.84Å; L956-L962 HydrophobicContact CD1-CD2 3.64Å; L956-L962 HydrophobicContact CG-CD2 4.36Å; L956-S977 PolarHBondContact N-OG 3.08Å; L956-S977 PolarHBondContact O-OG 2.94Å; L956-S979 VanDerWaalsContact O-CA 3.28Å; L956-S979 WeakPolarHBondContact O-CA 3.39Å; L956-S979 WeakPolarHBondContact O-CB 3.34Å
957	K	93.1	Very high	85.8	Confident	174 Å²	174	59.8 Å²	59.8	76%	0.757	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-48.6	140.1	175.9	-176.6	177.6	178.4	-179.3	0	111.2	G959 T960 S977	K957-G959 PolarHBondContact O-N 3.08Å; K957-T960 VanDerWaalsContact O-CB 3.28Å; K957-T960 WeakPolarHBondContact O-CB 3.28Å; K957-T960 PolarHBondContact O-N 3.13Å; K957-T960 PolarHBondContact O-OG1 3.19Å; K957-T960 VanDerWaalsContact O-OG1 3.07Å; K957-S977 WeakPolarHBondContact O-CB 3.3Å
958	L	93.8	Very high	83.8	Confident	38 Å²	38	62.4 Å²	62.4	20%	0.199	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	126.7	-178.3	-175.2	50.8	0	0	0	110.6	L956 T989 V990 H993	L956-L958 PolarHBondContact O-N 3.28Å; L958-T989 WeakPolarHBondContact CD2-O 3.45Å; L958-V990 HydrophobicContact CD1-CB 4.46Å; L958-V990 HydrophobicContact CD1-CG1 3.92Å; L958-H993 WeakPolarHBondContact CD2-CD2 3.23Å; L958-H993 WeakPolarHBondContact CD2-NE2 3.45Å
959	G	91.9	Very high	82.4	Confident	28 Å²	28	66.4 Å²	66.4	29%	0.289	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-1	-176.5	0	0	0	0	0	116.1	K957 R961 S977	K957-G959 PolarHBondContact O-N 3.08Å; G959-R961 PolarHBondContact O-N 2.91Å; G959-S977 PolarHBondContact N-O 3.47Å
960	T	92.6	Very high	81.1	Confident	56 Å²	56	76.7 Å²	76.7	34%	0.344	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61.8	125.4	171.6	-66.5	0	0	0	0	110.4	L956 K957 L962 S977	L956-T960 HydrophobicContact CB-CG2 4.25Å; L956-T960 HydrophobicContact CD1-CG2 3.84Å; K957-T960 VanDerWaalsContact O-CB 3.28Å; K957-T960 WeakPolarHBondContact O-CB 3.28Å; K957-T960 PolarHBondContact O-N 3.13Å; K957-T960 PolarHBondContact O-OG1 3.19Å; K957-T960 VanDerWaalsContact O-OG1 3.07Å; T960-L962 PolarHBondContact O-N 2.68Å; T960-S977 PolarHBondContact O-N 3.41Å
961	R	90.2	Very high	80.4	Confident	127 Å²	127	79 Å²	79	48%	0.479	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-68.6	125.5	178	-166.3	175.4	-171.2	-171.6	0.5	110.5	G959 N967 L976	G959-R961 PolarHBondContact O-N 2.91Å; R961-N967 PolarHBondContact NE-ND2 3.18Å; R961-N967 PolarHBondContact NE-OD1 3.4Å; R961-N967 PolarHBondContact NH2-O 3.07Å; R961-N967 PolarHBondContact NH2-OD1 3.32Å; R961-L976 HydrophobicContact CB-CD2 4.14Å; R961-L976 HydrophobicContact CG-CD2 4.31Å
962	L	86.3	Confident	79.9	Confident	28 Å²	28	79.2 Å²	79.2	15%	0.147	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-90.9	157.7	-178.1	-65.5	166.6	0	0	0	110.8	V952 A954 L956 T960 N967 T975	V952-L962 HydrophobicContact CG2-CD1 3.37Å; A954-L962 HydrophobicContact CB-CD1 3.81Å; A954-L962 HydrophobicContact CB-CD2 4.02Å; L956-L962 HydrophobicContact CD1-CD2 3.64Å; L956-L962 HydrophobicContact CG-CD2 4.36Å; T960-L962 PolarHBondContact O-N 2.68Å; L962-N967 PolarHBondContact O-ND2 3.09Å; L962-T975 HydrophobicContact CB-CG2 4.4Å; L962-T975 HydrophobicContact CD1-CG2 4.3Å; L962-T975 PolarHBondContact N-O 2.86Å
963	N	73.8	Confident	79.7	Confident	115 Å²	115	78.4 Å²	78.4	62%	0.615	41%	0.409	S	S	*	.			trans	39.2	64	174.3	-65.1	-4.1	0	0	0	114.7	Q965 V966 N967	N963-Q965 PolarHBondContact O-N 3.17Å; N963-V966 HydrophobicContact CB-CB 4.16Å; N963-V966 HydrophobicContact CB-CG2 4.1Å; N963-V966 PolarHBondContact O-N 3.22Å; N963-N967 WeakPolarHBondContact O-CB 3.41Å; N963-N967 PolarHBondContact O-N 3.05Å
964	P	66.1	Low	79.7	Confident	97 Å²	97	78.4 Å²	78.4	63%	0.63	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.5	-177.1	21.5	-33.3	0	0	0	113.8	N967 A968	P964-N967 CarbonylContact O-C 3.55Å; P964-A968 WeakPolarHBondContact O-CB 3.44Å; P964-A968 PolarHBondContact O-N 2.96Å
965	Q	60.4	Low	79.7	Confident	176 Å²	176	78.5 Å²	78.5	82%	0.822	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-42.5	175.1	-68.2	173.2	-19.6	0	0	113.3	N963 A968	N963-Q965 PolarHBondContact O-N 3.17Å; Q965-A968 WeakPolarHBondContact O-CB 3.26Å; Q965-A968 PolarHBondContact O-N 3.32Å
966	V	59.2	Low	79.8	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.37	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-70	-40	174	-177.8	0	0	0	0	109.6	N963 A968 Q969	N963-V966 HydrophobicContact CB-CB 4.16Å; N963-V966 HydrophobicContact CB-CG2 4.1Å; N963-V966 PolarHBondContact O-N 3.22Å; V966-A968 PolarHBondContact O-N 3.08Å; V966-A968 VanDerWaalsContact O-N 3.11Å; V966-Q969 WeakPolarHBondContact O-CB 3.49Å; V966-Q969 WeakPolarHBondContact O-CG 3.27Å; V966-Q969 PolarHBondContact O-N 3.47Å
967	N	58.2	Low	79.9	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.091	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-65.3	-4.6	172	-98.6	-54.8	0	0	0	114.9	R961 L962 N963 P964 I973 P974	R961-N967 PolarHBondContact NE-ND2 3.18Å; R961-N967 PolarHBondContact NE-OD1 3.4Å; R961-N967 PolarHBondContact NH2-O 3.07Å; R961-N967 PolarHBondContact NH2-OD1 3.32Å; L962-N967 PolarHBondContact O-ND2 3.09Å; N963-N967 WeakPolarHBondContact O-CB 3.41Å; N963-N967 PolarHBondContact O-N 3.05Å; P964-N967 CarbonylContact O-C 3.55Å; N967-I973 PolarHBondContact OD1-O 3.11Å; N967-P974 WeakPolarHBondContact OD1-CA 3.33Å
968	A	52.8	Low	80	Confident	79 Å²	79	60.5 Å²	60.5	65%	0.653	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-96.3	-5.4	172.4	0	0	0	0	0	112.8	P964 Q965 V966 R970	P964-A968 WeakPolarHBondContact O-CB 3.44Å; P964-A968 PolarHBondContact O-N 2.96Å; Q965-A968 WeakPolarHBondContact O-CB 3.26Å; Q965-A968 PolarHBondContact O-N 3.32Å; V966-A968 PolarHBondContact O-N 3.08Å; V966-A968 VanDerWaalsContact O-N 3.11Å; A968-R970 PolarHBondContact O-N 3.04Å
969	Q	65	Low	80	Confident	87 Å²	87	61 Å²	61	41%	0.407	33%	0.325	S	S	.	.	S	Bend	trans	-60.8	135.6	163.3	-65	178.1	-4.4	0	0	109.1	V966 H971 A972	V966-Q969 WeakPolarHBondContact O-CB 3.49Å; V966-Q969 WeakPolarHBondContact O-CG 3.27Å; V966-Q969 PolarHBondContact O-N 3.47Å; Q969-H971 PolarHBondContact O-N 3.34Å; Q969-A972 HydrophobicContact CB-CB 4.35Å; Q969-A972 WeakPolarHBondContact O-CB 3.28Å; Q969-A972 PolarHBondContact O-N 3.11Å
970	R	68.9	Low	80	Confident	226 Å²	226	60.5 Å²	60.5	85%	0.853	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	131.9	176.9	-69.4	-174.9	176.5	175	-1.4	109.6	A968 A972	A968-R970 PolarHBondContact O-N 3.04Å; R970-A972 VanDerWaalsContact C-N 3.33Å; R970-A972 PolarHBondContact O-N 3.06Å
971	H	79.9	Confident	80	Confident	49 Å²	49	62.2 Å²	62.2	23%	0.227	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	23.7	178.3	-33.2	-77.9	0	0	0	116	R941 E942 S945 Q969	R941-H971 HydrophobicContact CB-CB 3.74Å; E942-H971 WeakPolarHBondContact CB-ND1 3.41Å; E942-H971 IonicContact OE2-CE1 2.61Å; E942-H971 IonicContact OE2-ND1 3.43Å; S945-H971 WeakPolarHBondContact CB-O 3.37Å; Q969-H971 PolarHBondContact O-N 3.34Å
972	A	84	Confident	79.9	Confident	14 Å²	14	59.7 Å²	59.7	12%	0.116	32%	0.32	C	S	.	.			trans	-68.6	145	170.2	0	0	0	0	0	112.2	S945 Q969 R970	S945-A972 WeakPolarHBondContact CB-O 3.41Å; S945-A972 PolarHBondContact OG-O 3.16Å; Q969-A972 HydrophobicContact CB-CB 4.35Å; Q969-A972 WeakPolarHBondContact O-CB 3.28Å; Q969-A972 PolarHBondContact O-N 3.11Å; R970-A972 VanDerWaalsContact C-N 3.33Å; R970-A972 PolarHBondContact O-N 3.06Å
973	I	90.1	Very high	79.9	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	33%	0.329	C	S	.	.			trans	-78.3	127.8	174.7	-69.1	165	0	0	0	109.8	F889 V895 L898 L944 N950 N967 T975	F889-I973 HydrophobicContact CD2-CD1 4.35Å; F889-I973 HydrophobicContact CE2-CD1 3.92Å; V895-I973 HydrophobicContact CB-CD1 4.05Å; L898-I973 HydrophobicContact CD1-CD1 4.06Å; L898-I973 HydrophobicContact CD1-CG1 4.16Å; L898-I973 HydrophobicContact CD2-CD1 4.02Å; L898-I973 HydrophobicContact CG-CD1 4.42Å; L944-I973 HydrophobicContact CB-CD1 4.16Å; L944-I973 HydrophobicContact CB-CG1 4.24Å; L944-I973 HydrophobicContact CD1-CD1 4.49Å; N950-I973 HydrophobicContact CB-CG2 4.28Å; N967-I973 PolarHBondContact OD1-O 3.11Å; I973-T975 PolarHBondContact O-N 3Å; I973-T975 PolarHBondContact O-OG1 3.3Å
974	P	90.9	Very high	80.6	Confident	29 Å²	29	57.1 Å²	57.1	19%	0.188	30%	0.304	C	S	.	.			trans	-54.3	105.1	175.9	-26.7	34.2	0	0	0	113.1	S945 S948 V949 N950 N967	S945-P974 WeakPolarHBondContact O-CD 3.43Å; S948-P974 WeakPolarHBondContact O-CD 3.4Å; V949-P974 WeakPolarHBondContact CA-O 3.28Å; V949-P974 HydrophobicContact CG1-CB 4.31Å; N950-P974 PolarHBondContact N-O 3.39Å; N967-P974 WeakPolarHBondContact OD1-CA 3.33Å
975	T	92.3	Very high	81.8	Confident	17 Å²	17	53.6 Å²	53.6	10%	0.104	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.8	175.9	-61.2	0	0	0	0	110.7	L896 N950 V952 L962 I973	L896-T975 HydrophobicContact CD2-CG2 3.77Å; N950-T975 CarbonylContact O-C 3.55Å; N950-T975 WeakPolarHBondContact O-CA 3.34Å; V952-T975 HydrophobicContact CG1-CG2 4.12Å; V952-T975 HydrophobicContact CG2-CG2 3.63Å; L962-T975 HydrophobicContact CB-CG2 4.4Å; L962-T975 HydrophobicContact CD1-CG2 4.3Å; L962-T975 PolarHBondContact N-O 2.86Å; I973-T975 PolarHBondContact O-N 3Å; I973-T975 PolarHBondContact O-OG1 3.3Å
976	L	94.4	Very high	83.4	Confident	23 Å²	23	45.2 Å²	45.2	12%	0.12	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.5	-168.1	-53.5	-178.8	0	0	0	111.9	V949 N950 Y951 V952 R961	V949-L976 HydrophobicContact CB-CD1 4.08Å; V949-L976 HydrophobicContact CG1-CD1 4.15Å; N950-L976 PolarHBondContact O-N 3.14Å; Y951-L976 WeakPolarHBondContact CA-O 3.44Å; Y951-L976 HydrophobicContact CD1-CB 3.87Å; Y951-L976 HydrophobicContact CD1-CD1 4.43Å; Y951-L976 HydrophobicContact CE1-CB 3.98Å; Y951-L976 HydrophobicContact CE1-CD1 3.79Å; V952-L976 PolarHBondContact N-O 2.71Å; R961-L976 HydrophobicContact CB-CD2 4.14Å; R961-L976 HydrophobicContact CG-CD2 4.31Å
977	S	94.5	Very high	85	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.5	173	-176.7	0	0	0	0	112.3	A954 L956 K957 G959 T960 S979	A954-S977 PolarHBondContact O-OG 3.45Å; L956-S977 PolarHBondContact N-OG 3.08Å; L956-S977 PolarHBondContact O-OG 2.94Å; K957-S977 WeakPolarHBondContact O-CB 3.3Å; G959-S977 PolarHBondContact N-O 3.47Å; T960-S977 PolarHBondContact O-N 3.41Å; S977-S979 PolarHBondContact OG-N 3.35Å
978	S	94.6	Very high	86.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.			trans	-86	-0.6	171.3	66.4	0	0	0	0	114.8	V952 T980 T989	V952-S978 WeakPolarHBondContact O-CB 3.18Å; V952-S978 PolarHBondContact O-N 2.77Å; V952-S978 VanDerWaalsContact O-N 3.15Å; V952-S978 PolarHBondContact O-OG 3.47Å; S978-T980 PolarHBondContact O-N 3.41Å; S978-T980 WeakPolarHBondContact OG-CG2 3.49Å; S978-T980 PolarHBondContact OG-N 3.27Å; S978-T980 PolarHBondContact OG-O 3.36Å; S978-T980 VanDerWaalsContact OG-O 3.08Å; S978-T989 WeakPolarHBondContact O-CB 3.49Å; S978-T989 PolarHBondContact O-OG1 3.38Å
979	S	94.1	Very high	88.6	Confident	49 Å²	49	41.6 Å²	41.6	34%	0.343	21%	0.212	S	C	.	.	S	Bend	trans	52.9	24.2	-169.5	63.2	0	0	0	0	115.7	A954 L956 S977	A954-S979 CarbonylContact O-C 3.57Å; A954-S979 WeakPolarHBondContact O-CA 3.38Å; A954-S979 PolarHBondContact O-N 3.07Å; L956-S979 VanDerWaalsContact O-CA 3.28Å; L956-S979 WeakPolarHBondContact O-CA 3.39Å; L956-S979 WeakPolarHBondContact O-CB 3.34Å; S977-S979 PolarHBondContact OG-N 3.35Å
980	T	92.5	Very high	90.1	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.098	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-142.5	146.8	171.5	-179.7	0	0	0	0	110.5	A953 A954 S978 E982 L985 I986 T989	A953-T980 CarbonylContact C-O 3.43Å; A953-T980 VanDerWaalsContact CA-O 3.25Å; A953-T980 WeakPolarHBondContact CA-O 3.38Å; A954-T980 PolarHBondContact N-O 2.86Å; A954-T980 PolarHBondContact O-N 3.16Å; A954-T980 VanDerWaalsContact O-N 3.11Å; S978-T980 PolarHBondContact O-N 3.41Å; S978-T980 WeakPolarHBondContact OG-CG2 3.49Å; S978-T980 PolarHBondContact OG-N 3.27Å; S978-T980 PolarHBondContact OG-O 3.36Å; S978-T980 VanDerWaalsContact OG-O 3.08Å; T980-E982 PolarHBondContact OG1-N 3.19Å; T980-L985 HydrophobicContact CG2-CB 4.15Å; T980-I986 HydrophobicContact CG2-CG1 3.86Å; T980-T989 HydrophobicContact CG2-CG2 4.04Å
981	T	91.4	Very high	91.4	Very high	92 Å²	92	27.4 Å²	27.4	56%	0.564	16%	0.156	S	C	*	.	S	Bend	trans	-91.3	-6.2	168.9	53.4	0	0	0	0	113	N955	N955-T981 HydrophobicContact CB-CG2 3.92Å
982	E	88.2	Confident	92.2	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	17%	0.171	S	C	.	.			trans	-92.1	109.7	175.4	-68.1	-163.3	-126.4	0	0	110.1	R157 T980 D984 L985	R157-E982 IonicContact CZ-OE2 2.65Å; R157-E982 IonicContact NH2-OE2 2.63Å; R157-E982 PolarHBondContact NH2-OE2 3.25Å; T980-E982 PolarHBondContact OG1-N 3.19Å; E982-D984 VanDerWaalsContact C-N 3.27Å; E982-D984 PolarHBondContact O-N 2.83Å; E982-L985 HydrophobicContact CB-CB 4.27Å; E982-L985 HydrophobicContact CB-CD1 4.07Å; E982-L985 HydrophobicContact CB-CG 4.26Å; E982-L985 PolarHBondContact O-N 2.9Å
983	H	87	Confident	92.8	Very high	72 Å²	72	33.5 Å²	33.5	33%	0.333	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-51.2	-45.3	179.8	-63.4	-92.9	0	0	0	112.3	D891 L985 I986	D891-H983 IonicContact OD1-CE1 3.35Å; D891-H983 PolarHBondContact OD1-CE1 2.94Å; D891-H983 IonicContact OD1-CG 2.82Å; D891-H983 IonicContact OD1-ND1 3.19Å; D891-H983 PolarHBondContact OD1-ND1 3.27Å; D891-H983 IonicContact OD2-CG 2.98Å; D891-H983 IonicContact OD2-ND1 3.93Å; D891-H983 PolarHBondContact OD2-ND1 3.39Å; H983-L985 PolarHBondContact O-N 2.82Å; H983-I986 WeakPolarHBondContact O-CB 3.32Å; H983-I986 WeakPolarHBondContact O-CG1 3.26Å; H983-I986 PolarHBondContact O-N 2.91Å
984	D	87.9	Confident	93.1	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.091	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.6	177.7	-61	23.7	0	0	0	113.1	A155 L158 Y768 E982 P987	A155-D984 HydrophobicContact CB-CB 3.81Å; L158-D984 HydrophobicContact CD1-CB 3.73Å; L158-D984 VanDerWaalsContact CD1-O 3.23Å; L158-D984 WeakPolarHBondContact CD1-O 3.4Å; L158-D984 HydrophobicContact CD2-CB 4.14Å; L158-D984 HydrophobicContact CG-CB 3.87Å; Y768-D984 PolarHBondContact OH-OD1 2.95Å; Y768-D984 PolarHBondContact OH-OD2 2.86Å; E982-D984 VanDerWaalsContact C-N 3.27Å; E982-D984 PolarHBondContact O-N 2.83Å; D984-P987 WeakPolarHBondContact O-CD 3.41Å
985	L	91.5	Very high	93.4	Very high	22 Å²	22	32 Å²	32	12%	0.115	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-82.1	-18.1	-177	-78.4	175.5	0	0	0	113.3	L158 T980 E982 H983 P987 S988 T989	L158-L985 HydrophobicContact CD1-CD2 3.73Å; L158-L985 HydrophobicContact CD1-CG 4.15Å; L158-L985 HydrophobicContact CD2-CD2 3.93Å; L158-L985 HydrophobicContact CD2-CG 4.05Å; L158-L985 HydrophobicContact CG-CD2 4.48Å; T980-L985 HydrophobicContact CG2-CB 4.15Å; E982-L985 HydrophobicContact CB-CB 4.27Å; E982-L985 HydrophobicContact CB-CD1 4.07Å; E982-L985 HydrophobicContact CB-CG 4.26Å; E982-L985 PolarHBondContact O-N 2.9Å; H983-L985 PolarHBondContact O-N 2.82Å; L985-P987 VanDerWaalsContact C-CD 3.49Å; L985-S988 PolarHBondContact O-N 3.28Å; L985-S988 PolarHBondContact O-OG 2.86Å; L985-T989 PolarHBondContact O-N 2.68Å; L985-T989 VanDerWaalsContact O-N 3.14Å
986	I	93.6	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-48.5	-50.3	-175.1	-64.2	173.6	0	0	0	112	T890 D891 A953 T980 H983 S988 T989 V990	T890-I986 HydrophobicContact CG2-CG2 4.08Å; D891-I986 HydrophobicContact CB-CD1 3.98Å; A953-I986 HydrophobicContact CB-CD1 4.08Å; T980-I986 HydrophobicContact CG2-CG1 3.86Å; H983-I986 WeakPolarHBondContact O-CB 3.32Å; H983-I986 WeakPolarHBondContact O-CG1 3.26Å; H983-I986 PolarHBondContact O-N 2.91Å; I986-S988 PolarHBondContact O-N 2.85Å; I986-S988 VanDerWaalsContact O-N 3.08Å; I986-T989 PolarHBondContact O-N 2.99Å; I986-T989 VanDerWaalsContact O-N 3.15Å; I986-T989 PolarHBondContact O-OG1 2.8Å; I986-V990 HydrophobicContact CG2-CG1 3.98Å; I986-V990 HydrophobicContact CG2-CG2 4.34Å; I986-V990 WeakPolarHBondContact O-CG2 3.18Å; I986-V990 PolarHBondContact O-N 2.78Å
987	P	93.2	Very high	93.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-24.5	-177.9	-24.2	36.2	0	0	0	114.6	W154 W525 D984 L985	W154-P987 HydrophobicContact CD2-CB 3.54Å; W154-P987 HydrophobicContact CD2-CG 3.87Å; W154-P987 VanDerWaalsContact CE2-CB 3.41Å; W154-P987 HydrophobicContact CE3-CB 3.79Å; W154-P987 HydrophobicContact CE3-CG 3.74Å; W154-P987 HydrophobicContact CG-CB 4.11Å; W154-P987 HydrophobicContact CG-CG 4.38Å; W154-P987 HydrophobicContact CH2-CB 3.83Å; W154-P987 HydrophobicContact CH2-CG 4.4Å; W154-P987 HydrophobicContact CZ2-CB 3.58Å; W154-P987 HydrophobicContact CZ3-CB 3.93Å; W154-P987 HydrophobicContact CZ3-CG 4.02Å; W525-P987 HydrophobicContact CH2-CB 4.06Å; W525-P987 HydrophobicContact CZ2-CB 3.74Å; D984-P987 WeakPolarHBondContact O-CD 3.41Å; L985-P987 VanDerWaalsContact C-CD 3.49Å
988	S	92.9	Very high	93.8	Very high	37 Å²	37	35.2 Å²	35.2	26%	0.259	19%	0.187	S	C	.	.	H	α-helix	trans	-85.4	-36.9	176.9	71.8	0	0	0	0	113	S168 L985 I986	S168-S988 VanDerWaalsContact CB-CB 3.4Å; S168-S988 VanDerWaalsContact CB-OG 3.3Å; S168-S988 WeakPolarHBondContact CB-OG 3.26Å; L985-S988 PolarHBondContact O-N 3.28Å; L985-S988 PolarHBondContact O-OG 2.86Å; I986-S988 PolarHBondContact O-N 2.85Å; I986-S988 VanDerWaalsContact O-N 3.08Å
989	T	94.7	Very high	93.8	Very high	43 Å²	43	39.9 Å²	39.9	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-75.3	-38.5	-179.6	62.7	0	0	0	0	112.2	L958 S978 T980 L985 I986	L958-T989 WeakPolarHBondContact CD2-O 3.45Å; S978-T989 WeakPolarHBondContact O-CB 3.49Å; S978-T989 PolarHBondContact O-OG1 3.38Å; T980-T989 HydrophobicContact CG2-CG2 4.04Å; L985-T989 PolarHBondContact O-N 2.68Å; L985-T989 VanDerWaalsContact O-N 3.14Å; I986-T989 PolarHBondContact O-N 2.99Å; I986-T989 VanDerWaalsContact O-N 3.15Å; I986-T989 PolarHBondContact O-OG1 2.8Å
990	V	96	Very high	93.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-85.1	-6.6	-175.9	-48.4	0	0	0	0	114	T890 Y951 L958 I986 H992 H993 I994	T890-V990 HydrophobicContact CG2-CG2 4.06Å; Y951-V990 HydrophobicContact CD1-CB 4.12Å; Y951-V990 HydrophobicContact CD1-CG1 3.71Å; Y951-V990 HydrophobicContact CD2-CB 4.43Å; Y951-V990 HydrophobicContact CD2-CG2 4.4Å; Y951-V990 HydrophobicContact CE1-CB 4.41Å; Y951-V990 HydrophobicContact CE1-CG1 4.39Å; Y951-V990 HydrophobicContact CG-CB 4.13Å; Y951-V990 HydrophobicContact CG-CG1 3.84Å; Y951-V990 HydrophobicContact CG-CG2 4.38Å; L958-V990 HydrophobicContact CD1-CB 4.46Å; L958-V990 HydrophobicContact CD1-CG1 3.92Å; I986-V990 HydrophobicContact CG2-CG1 3.98Å; I986-V990 HydrophobicContact CG2-CG2 4.34Å; I986-V990 WeakPolarHBondContact O-CG2 3.18Å; I986-V990 PolarHBondContact O-N 2.78Å; V990-H992 VanDerWaalsContact C-N 3.34Å; V990-H992 PolarHBondContact O-N 3.26Å; V990-H992 VanDerWaalsContact O-N 3.16Å; V990-H993 PolarHBondContact O-N 2.77Å; V990-I994 HydrophobicContact CB-CG1 4.38Å; V990-I994 HydrophobicContact CG2-CD1 3.44Å; V990-I994 VanDerWaalsContact CG2-CD1 3.44Å; V990-I994 HydrophobicContact CG2-CG1 3.78Å; V990-I994 PolarHBondContact O-N 3.16Å
991	L	96.4	Very high	94	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-48.4	-49.9	-168.1	-177.4	63.4	0	0	0	113.4	L174 W525 I994 F995	L174-L991 HydrophobicContact CB-CD1 4.1Å; L174-L991 HydrophobicContact CD1-CD1 4.09Å; W525-L991 HydrophobicContact CH2-CD1 4.18Å; W525-L991 HydrophobicContact CZ3-CD1 3.92Å; L991-I994 PolarHBondContact O-N 3.27Å; L991-F995 HydrophobicContact CD1-CD2 4.21Å; L991-F995 HydrophobicContact CD1-CE2 3.89Å; L991-F995 WeakPolarHBondContact O-CD2 3.48Å; L991-F995 PolarHBondContact O-N 2.97Å
992	H	95.7	Very high	94	Very high	114 Å²	114	40.5 Å²	40.5	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-65.5	-46	-180	-72.5	-95.4	0	0	0	112.2	V990 I994 F995 D996	V990-H992 VanDerWaalsContact C-N 3.34Å; V990-H992 PolarHBondContact O-N 3.26Å; V990-H992 VanDerWaalsContact O-N 3.16Å; H992-I994 VanDerWaalsContact C-N 3.28Å; H992-I994 PolarHBondContact O-N 3.1Å; H992-F995 PolarHBondContact O-N 3.32Å; H992-F995 VanDerWaalsContact O-N 3.07Å; H992-D996 PolarHBondContact O-N 2.85Å
993	H	96.2	Very high	93.8	Very high	76 Å²	76	43.1 Å²	43.1	35%	0.352	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-32.5	178.8	-76.9	-108.3	0	0	0	112.7	Y951 L958 V990 D996 F997	Y951-H993 HydrophobicContact CE1-CB 4.49Å; L958-H993 WeakPolarHBondContact CD2-CD2 3.23Å; L958-H993 WeakPolarHBondContact CD2-NE2 3.45Å; V990-H993 PolarHBondContact O-N 2.77Å; H993-D996 PolarHBondContact O-N 2.93Å; H993-F997 WeakPolarHBondContact O-CB 3.43Å; H993-F997 PolarHBondContact O-N 3.37Å
994	I	97.2	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-47.9	171.3	-72	-171.4	0	0	0	111	W525 V888 T890 Y951 V990 L991 H992 D996 F997 F998	W525-I994 HydrophobicContact CD2-CD1 3.79Å; W525-I994 HydrophobicContact CE3-CD1 4.03Å; W525-I994 HydrophobicContact CE3-CG2 4.24Å; W525-I994 HydrophobicContact CG-CD1 4.44Å; W525-I994 HydrophobicContact CH2-CD1 3.8Å; W525-I994 HydrophobicContact CZ2-CD1 3.54Å; W525-I994 HydrophobicContact CZ3-CD1 4.02Å; V888-I994 HydrophobicContact CB-CD1 4.39Å; V888-I994 HydrophobicContact CG1-CD1 3.61Å; V888-I994 HydrophobicContact CG1-CG1 3.89Å; V888-I994 HydrophobicContact CG2-CG1 4.37Å; V888-I994 HydrophobicContact CG2-CG2 4.27Å; T890-I994 HydrophobicContact CG2-CD1 4.11Å; Y951-I994 HydrophobicContact CD2-CG1 4.37Å; Y951-I994 HydrophobicContact CE2-CG1 3.95Å; V990-I994 HydrophobicContact CB-CG1 4.38Å; V990-I994 HydrophobicContact CG2-CD1 3.44Å; V990-I994 VanDerWaalsContact CG2-CD1 3.44Å; V990-I994 HydrophobicContact CG2-CG1 3.78Å; V990-I994 PolarHBondContact O-N 3.16Å; L991-I994 PolarHBondContact O-N 3.27Å; H992-I994 VanDerWaalsContact C-N 3.28Å; H992-I994 PolarHBondContact O-N 3.1Å; I994-D996 VanDerWaalsContact C-N 3.33Å; I994-D996 PolarHBondContact O-N 3.33Å; I994-F997 PolarHBondContact O-N 3.38Å; I994-F998 HydrophobicContact CG2-CD2 3.77Å; I994-F998 HydrophobicContact CG2-CE1 4.48Å; I994-F998 HydrophobicContact CG2-CE2 3.4Å; I994-F998 VanDerWaalsContact CG2-CE2 3.4Å; I994-F998 HydrophobicContact CG2-CG 4.45Å; I994-F998 HydrophobicContact CG2-CZ 3.82Å; I994-F998 WeakPolarHBondContact O-CB 3.41Å; I994-F998 VanDerWaalsContact O-CG 3.28Å; I994-F998 WeakPolarHBondContact O-CG 3.42Å; I994-F998 PolarHBondContact O-N 3.33Å
995	F	97.3	Very high	91.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-35.1	178.4	-86.8	-78.8	0	0	0	112.9	I140 L174 K177 A178 Q181 Y183 L991 H992 F998 R999	I140-F995 HydrophobicContact CD1-CD1 4.43Å; I140-F995 HydrophobicContact CD1-CE1 3.53Å; I140-F995 HydrophobicContact CD1-CZ 3.62Å; L174-F995 HydrophobicContact CD1-CE2 3.77Å; L174-F995 HydrophobicContact CD1-CZ 3.87Å; K177-F995 HydrophobicContact CB-CD2 4.4Å; K177-F995 HydrophobicContact CB-CE2 3.81Å; K177-F995 HydrophobicContact CB-CZ 4.14Å; K177-F995 HydrophobicContact CG-CD2 3.86Å; K177-F995 HydrophobicContact CG-CE2 3.79Å; K177-F995 HydrophobicContact CG-CG 4.44Å; K177-F995 HydrophobicContact CG-CZ 4.28Å; A178-F995 HydrophobicContact CB-CE1 4.37Å; A178-F995 HydrophobicContact CB-CZ 3.99Å; Q181-F995 VanDerWaalsContact NE2-CG 3.28Å; Y183-F995 HydrophobicContact CD2-CD1 4.17Å; Y183-F995 AromaticContact CD2-CE1 3.72Å; Y183-F995 HydrophobicContact CD2-CE1 3.72Å; Y183-F995 AromaticContact CE2-CD1 3.79Å; Y183-F995 HydrophobicContact CE2-CD1 3.79Å; Y183-F995 AromaticContact CE2-CE1 3.84Å; Y183-F995 HydrophobicContact CE2-CE1 3.84Å; L991-F995 HydrophobicContact CD1-CD2 4.21Å; L991-F995 HydrophobicContact CD1-CE2 3.89Å; L991-F995 WeakPolarHBondContact O-CD2 3.48Å; L991-F995 PolarHBondContact O-N 2.97Å; H992-F995 PolarHBondContact O-N 3.32Å; H992-F995 VanDerWaalsContact O-N 3.07Å; F995-F998 PolarHBondContact O-N 3.21Å; F995-R999 WeakPolarHBondContact O-CB 3.09Å; F995-R999 PolarHBondContact O-N 3.14Å
996	D	96.1	Very high	88.5	Confident	72 Å²	72	57.3 Å²	57.3	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-72.1	-37.1	177	-62.4	-32.8	0	0	0	112.1	H992 H993 I994 R999 S1000	H992-D996 PolarHBondContact O-N 2.85Å; H993-D996 PolarHBondContact O-N 2.93Å; I994-D996 VanDerWaalsContact C-N 3.33Å; I994-D996 PolarHBondContact O-N 3.33Å; D996-R999 PolarHBondContact O-N 3.4Å; D996-R999 IonicContact OD1-CZ 3.67Å; D996-R999 IonicContact OD1-NH1 3.91Å; D996-R999 PolarHBondContact OD1-NH1 2.83Å; D996-R999 IonicContact OD1-NH2 2.69Å; D996-R999 PolarHBondContact OD1-NH2 2.84Å; D996-S1000 PolarHBondContact O-N 2.81Å
997	F	96.2	Very high	86	Confident	35 Å²	35	62.8 Å²	62.8	15%	0.154	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-42.7	169.8	174.1	-106.8	0	0	0	112.3	A886 V888 V949 H993 I994 R999 S1000 K1001	A886-F997 HydrophobicContact CB-CD1 4.44Å; A886-F997 HydrophobicContact CB-CE1 3.88Å; V888-F997 HydrophobicContact CG2-CD1 3.54Å; V888-F997 HydrophobicContact CG2-CE1 3.81Å; V949-F997 HydrophobicContact CG1-CD2 4.19Å; V949-F997 HydrophobicContact CG1-CE1 4.46Å; V949-F997 HydrophobicContact CG1-CE2 3.71Å; V949-F997 HydrophobicContact CG1-CZ 3.86Å; V949-F997 HydrophobicContact CG2-CD1 3.98Å; V949-F997 HydrophobicContact CG2-CE1 3.87Å; V949-F997 HydrophobicContact CG2-CE2 4.43Å; V949-F997 HydrophobicContact CG2-CG 4.3Å; V949-F997 HydrophobicContact CG2-CZ 4.11Å; H993-F997 WeakPolarHBondContact O-CB 3.43Å; H993-F997 PolarHBondContact O-N 3.37Å; I994-F997 PolarHBondContact O-N 3.38Å; F997-R999 VanDerWaalsContact C-N 3.32Å; F997-R999 PolarHBondContact O-N 3.3Å; F997-S1000 PolarHBondContact O-N 3.07Å; F997-S1000 PolarHBondContact O-OG 3.34Å; F997-K1001 HydrophobicContact CE2-CG 4.13Å; F997-K1001 HydrophobicContact CZ-CG 4.12Å; F997-K1001 WeakPolarHBondContact O-CB 3.38Å; F997-K1001 PolarHBondContact O-N 2.88Å; F997-K1001 VanDerWaalsContact O-N 3.1Å
998	F	97.2	Very high	83.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.5	-40	172.7	-72.5	-20.5	0	0	0	111.8	I140 L523 W525 A886 V888 I994 F995 K1001 L1002	I140-F998 HydrophobicContact CD1-CD2 4.09Å; I140-F998 HydrophobicContact CD1-CE2 3.96Å; I140-F998 HydrophobicContact CG1-CD2 4.34Å; I140-F998 HydrophobicContact CG1-CE2 4.07Å; L523-F998 HydrophobicContact CB-CD1 4.11Å; L523-F998 HydrophobicContact CB-CD2 4.2Å; L523-F998 HydrophobicContact CB-CE1 3.98Å; L523-F998 HydrophobicContact CB-CE2 4.09Å; L523-F998 HydrophobicContact CB-CG 4.2Å; L523-F998 HydrophobicContact CB-CZ 3.98Å; L523-F998 HydrophobicContact CD1-CB 3.8Å; L523-F998 HydrophobicContact CD1-CD1 4.44Å; L523-F998 HydrophobicContact CD1-CD2 3.88Å; L523-F998 HydrophobicContact CD1-CG 3.82Å; L523-F998 HydrophobicContact CD2-CB 4.01Å; L523-F998 HydrophobicContact CD2-CD1 3.82Å; L523-F998 HydrophobicContact CD2-CE1 4.42Å; L523-F998 HydrophobicContact CD2-CG 3.97Å; L523-F998 HydrophobicContact CG-CB 4.45Å; L523-F998 HydrophobicContact CG-CD1 4.34Å; L523-F998 HydrophobicContact CG-CD2 4.49Å; L523-F998 HydrophobicContact CG-CG 4.22Å; W525-F998 HydrophobicContact CB-CZ 4.37Å; A886-F998 HydrophobicContact CB-CD1 3.64Å; A886-F998 HydrophobicContact CB-CE1 3.92Å; V888-F998 HydrophobicContact CB-CE1 4.3Å; V888-F998 HydrophobicContact CB-CZ 4.36Å; V888-F998 HydrophobicContact CG2-CD1 4.26Å; V888-F998 HydrophobicContact CG2-CE1 3.59Å; V888-F998 HydrophobicContact CG2-CZ 4.01Å; I994-F998 HydrophobicContact CG2-CD2 3.77Å; I994-F998 HydrophobicContact CG2-CE1 4.48Å; I994-F998 HydrophobicContact CG2-CE2 3.4Å; I994-F998 VanDerWaalsContact CG2-CE2 3.4Å; I994-F998 HydrophobicContact CG2-CG 4.45Å; I994-F998 HydrophobicContact CG2-CZ 3.82Å; I994-F998 WeakPolarHBondContact O-CB 3.41Å; I994-F998 VanDerWaalsContact O-CG 3.28Å; I994-F998 WeakPolarHBondContact O-CG 3.42Å; I994-F998 PolarHBondContact O-N 3.33Å; F995-F998 PolarHBondContact O-N 3.21Å; F998-K1001 PolarHBondContact O-N 2.68Å; F998-L1002 VanDerWaalsContact O-CG 3.29Å; F998-L1002 WeakPolarHBondContact O-CG 3.4Å; F998-L1002 PolarHBondContact O-N 3.02Å; F998-L1002 VanDerWaalsContact O-N 3.14Å
999	R	95.4	Very high	80.9	Confident	98 Å²	98	78.6 Å²	78.6	37%	0.37	40%	0.396	S	S	.	.	H	α-helix	trans	-65.4	-42.8	178	-160.4	-178	-49.5	107.5	14.8	112.2	F995 D996 F997 K1001 L1002 Q1003	F995-R999 WeakPolarHBondContact O-CB 3.09Å; F995-R999 PolarHBondContact O-N 3.14Å; D996-R999 PolarHBondContact O-N 3.4Å; D996-R999 IonicContact OD1-CZ 3.67Å; D996-R999 IonicContact OD1-NH1 3.91Å; D996-R999 PolarHBondContact OD1-NH1 2.83Å; D996-R999 IonicContact OD1-NH2 2.69Å; D996-R999 PolarHBondContact OD1-NH2 2.84Å; F997-R999 VanDerWaalsContact C-N 3.32Å; F997-R999 PolarHBondContact O-N 3.3Å; R999-K1001 VanDerWaalsContact C-N 3.29Å; R999-K1001 PolarHBondContact O-N 3.16Å; R999-L1002 PolarHBondContact O-N 2.78Å; R999-Q1003 PolarHBondContact O-N 2.94Å
1000	S	95.1	Very high	78.2	Confident	66 Å²	66	83.7 Å²	83.7	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-66.7	-30.5	176.8	67.9	0	0	0	0	112.7	D996 F997 L1002	D996-S1000 PolarHBondContact O-N 2.81Å; F997-S1000 PolarHBondContact O-N 3.07Å; F997-S1000 PolarHBondContact O-OG 3.34Å; S1000-L1002 VanDerWaalsContact C-N 3.34Å
1001	K	94.5	Very high	75.2	Confident	63 Å²	63	89.5 Å²	89.5	27%	0.274	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.5	173.5	-74.6	-67.9	-173.2	175.9	0	115.5	A886 Q946 N947 F997 F998 R999	A886-K1001 HydrophobicContact CB-CB 3.88Å; A886-K1001 HydrophobicContact CB-CG 4.02Å; Q946-K1001 WeakPolarHBondContact O-CE 3.18Å; Q946-K1001 PolarHBondContact O-NZ 2.68Å; N947-K1001 PolarHBondContact OD1-NZ 2.89Å; F997-K1001 HydrophobicContact CE2-CG 4.13Å; F997-K1001 HydrophobicContact CZ-CG 4.12Å; F997-K1001 WeakPolarHBondContact O-CB 3.38Å; F997-K1001 PolarHBondContact O-N 2.88Å; F997-K1001 VanDerWaalsContact O-N 3.1Å; F998-K1001 PolarHBondContact O-N 2.68Å; R999-K1001 VanDerWaalsContact C-N 3.29Å; R999-K1001 PolarHBondContact O-N 3.16Å
1002	L	92.9	Very high	72.3	Confident	41 Å²	41	97 Å²	97	22%	0.215	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-16.1	172.9	-72.6	170.8	0	0	0	113.4	P138 Y183 H521 L523 F998 R999 S1000	P138-L1002 HydrophobicContact CB-CD1 3.77Å; P138-L1002 HydrophobicContact CB-CD2 4.3Å; P138-L1002 HydrophobicContact CG-CD1 3.55Å; P138-L1002 HydrophobicContact CG-CD2 4.16Å; P138-L1002 HydrophobicContact CG-CG 4.5Å; Y183-L1002 HydrophobicContact CE1-CD1 4.27Å; H521-L1002 HydrophobicContact CB-CD2 3.8Å; L523-L1002 HydrophobicContact CD1-CD1 4.18Å; L523-L1002 HydrophobicContact CD2-CD2 4.31Å; L523-L1002 HydrophobicContact CD2-CG 4.29Å; F998-L1002 VanDerWaalsContact O-CG 3.29Å; F998-L1002 WeakPolarHBondContact O-CG 3.4Å; F998-L1002 PolarHBondContact O-N 3.02Å; F998-L1002 VanDerWaalsContact O-N 3.14Å; R999-L1002 PolarHBondContact O-N 2.78Å; S1000-L1002 VanDerWaalsContact C-N 3.34Å
1003	Q	83.3	Confident	69.4	Low	131 Å²	131	100.8 Å²	100.8	61%	0.612	52%	0.515	S	S	*	.	S	Bend	trans	-74.7	141.3	175.9	-72.8	173.6	-19.1	0	0	110.4	R999 S1005	R999-Q1003 PolarHBondContact O-N 2.94Å; Q1003-S1005 PolarHBondContact O-N 2.57Å
1004	P	66.9	Low	66.4	Low	93 Å²	93	103.4 Å²	103.4	60%	0.604	54%	0.536	S	S	*	.			trans	-65	127.7	172.4	28.1	-33.3	0	0	0	109.4	Y1006	P1004-Y1006 HydrophobicContact CG-CE2 4.17Å; P1004-Y1006 PolarHBondContact O-N 3.31Å
1005	S	51.3	Low	63.6	Low	117 Å²	117	109.2 Å²	109.2	82%	0.818	57%	0.572	S	S	*	*			trans	-72.4	93.5	169.5	54.1	0	0	0	0	109.1	Q1003	Q1003-S1005 PolarHBondContact O-N 2.57Å
1006	Y	37.5	Very low	60.5	Low	199 Å²	199	116.1 Å²	116.1	78%	0.78	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.1	133.4	159.8	-64.2	-80.9	0	0	0	108.2	P1004 K1008	P1004-Y1006 HydrophobicContact CG-CE2 4.17Å; P1004-Y1006 PolarHBondContact O-N 3.31Å; Y1006-K1008 PolarHBondContact O-N 2.74Å
1007	P	40.1	Very low	57.6	Low	115 Å²	115	117.7 Å²	117.7	75%	0.747	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-52.9	138.7	165.7	-22.5	33.5	0	0	0	108.9	E1009	P1007-E1009 PolarHBondContact O-N 3.43Å
1008	K	40.5	Very low	54.8	Low	186 Å²	186	124.6 Å²	124.6	81%	0.809	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-71.7	123.7	155.4	-68.2	-179.2	177.6	-177.6	0	105.3	Y1006 D1010	Y1006-K1008 PolarHBondContact O-N 2.74Å; K1008-D1010 PolarHBondContact O-N 2.94Å
1009	E	37.8	Very low	51.9	Low	184 Å²	184	130 Å²	130	86%	0.86	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-66.6	117.2	165.2	-66.8	-179.7	156.8	0	0	106.8	P1007 S1011	P1007-E1009 PolarHBondContact O-N 3.43Å; E1009-S1011 PolarHBondContact O-N 3.23Å; E1009-S1011 VanDerWaalsContact O-N 3.14Å
1010	D	38.3	Very low	48.9	Very low	149 Å²	149	131.3 Å²	131.3	80%	0.797	72%	0.718	S	S	*	*			trans	-68.3	111.5	179.5	-69.8	-52.8	0	0	0	108.7	K1008 E1012	K1008-D1010 PolarHBondContact O-N 2.94Å; D1010-E1012 PolarHBondContact O-N 3.3Å
1011	S	33.9	Very low	46.1	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	74%	0.735	S	S	*	*			trans	-80.2	56.6	-171	65.4	0	0	0	0	112.5	E1009	E1009-S1011 PolarHBondContact O-N 3.23Å; E1009-S1011 VanDerWaalsContact O-N 3.14Å
1012	E	34.5	Very low	43.1	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	76%	0.763	S	S	*	*			trans	-109.3	73.5	175.6	-68.8	-159	154	0	0	111.7	D1010	D1010-E1012 PolarHBondContact O-N 3.3Å
1013	H	36.2	Very low	40.5	Very low	193 Å²	193	142.1 Å²	142.1	89%	0.894	79%	0.793	S	S	*	*			trans	-139.5	72.7	162.6	-98.6	-51.5	0	0	0	112.5	T1015	H1013-T1015 PolarHBondContact O-N 3.37Å
1014	T	32.9	Very low	38	Very low	131 Å²	131	143.8 Å²	143.8	80%	0.804	80%	0.802	S	S	*	*			trans	-77.9	106.3	157.5	43.9	0	0	0	0	110.1
1015	T	37.3	Very low	36.6	Very low	121 Å²	121	148.5 Å²	148.5	74%	0.742	82%	0.816	S	S	*	*				171.7	110.2	123.7	40.7	0	0	0	0	112.3	H1013	H1013-T1015 PolarHBondContact O-N 3.37Å
1016	N	33.5	Very low	35.7	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	81%	0.813	S	S	*	*			trans	53	142.6	134.9	-56.9	-7.4	0	0	0	123.8
1017	S	34.7	Very low	35.7	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	82%	0.815	S	S	*	*			trans	74.4	107.2	149.4	39.2	0	0	0	0	121.6
1018	E	37.5	Very low	35.3	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	82%	0.816	S	S	*	*				83.8	82.5	125.1	-63.2	-175.5	164.1	0	0	122
1019	S	36.2	Very low	34.9	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	82%	0.815	S	S	*	*				88.9	139.6	124	77.4	0	0	0	0	120
1020	P	32.3	Very low	34.7	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	81%	0.806	S	S	*	*			trans	-100.4	153.8	-179	38.5	-34.1	0	0	0	113.6
1021	S	35.9	Very low	34.7	Very low	120 Å²	120	139.4 Å²	139.4	84%	0.839	81%	0.808	S	S	*	*			trans	-137.1	99.6	163.6	47.6	0	0	0	0	111.5
1022	T	31.4	Very low	34.7	Very low	139 Å²	139	141.2 Å²	141.2	85%	0.853	81%	0.807	S	S	*	*			trans	-83.7	123	169.9	46.5	0	0	0	0	110.7
1023	V	37.9	Very low	34.9	Very low	138 Å²	138	137.9 Å²	137.9	84%	0.836	80%	0.801	S	S	*	*			trans	-129.9	129.4	160.6	-178.2	0	0	0	0	107.8
1024	M	31.9	Very low	34.7	Very low	165 Å²	165	133.9 Å²	133.9	81%	0.813	80%	0.795	S	S	*	*			trans	-85.9	154.2	174.6	-55.7	177	-68	0	0	109.7
1025	E	36.2	Very low	34.9	Very low	192 Å²	192	133.2 Å²	133.2	90%	0.897	79%	0.79	S	S	*	*				-160.9	169.6	127.6	-114.6	165.2	-150.1	0	0	112.5
1026	N	33.1	Very low	34.8	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	79%	0.789	S	S	*	*			trans	-108.3	153.8	-159.9	-53.4	-78.1	0	0	0	112.7
1027	S	37	Very low	35.4	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	81%	0.807	S	S	*	*				-174.8	111.3	127.1	-83.8	0	0	0	0	115
1028	T	32.4	Very low	35.4	Very low	125 Å²	125	138 Å²	138	77%	0.767	81%	0.811	S	S	*	*			trans	1	126.6	140.5	-37.6	0	0	0	0	119.6
1029	C	32.9	Very low	35.3	Very low	117 Å²	117	135.8 Å²	135.8	79%	0.791	81%	0.809	S	S	*	*				179.9	87.5	120.1	-91.1	0	0	0	0	114.6
1030	S	32	Very low	35.3	Very low	97 Å²	97	137 Å²	137	68%	0.678	81%	0.81	S	S	*	*			trans	14.4	156.4	131.5	60	0	0	0	0	124.5
1031	I	38.1	Very low	35.5	Very low	163 Å²	163	137.7 Å²	137.7	84%	0.836	81%	0.81	S	S	*	*			trans	115	100.4	150.1	-57.8	-172.7	0	0	0	116.5
1032	L	34	Very low	35.4	Very low	161 Å²	161	138.8 Å²	138.8	84%	0.843	81%	0.808	S	S	*	*			trans	-85.2	-164.7	155.9	-71.7	161.5	0	0	0	109
1033	P	38.8	Very low	35.7	Very low	104 Å²	104	138.8 Å²	138.8	68%	0.675	81%	0.805	S	S	*	*			cis	-137	173.2	-7.9	41.2	-23.8	0	0	0	116.4
1034	S	33.4	Very low	35.5	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	80%	0.802	S	S	*	*			trans	54.4	175.7	148.4	66.7	0	0	0	0	118.7
1035	V	36	Very low	35.8	Very low	116 Å²	116	136.8 Å²	136.8	70%	0.703	80%	0.802	S	S	*	*			cis	-122.2	-166.7	-6	53.7	0	0	0	0	107.7
1036	H	35.3	Very low	35.8	Very low	157 Å²	157	132.3 Å²	132.3	73%	0.727	79%	0.794	S	S	*	*			cis	-159.7	-172.2	-4	-122.8	-40.3	0	0	0	105.1
1037	P	46.5	Very low	36	Very low	180 Å²	180	131.5 Å²	131.5	100%	1.169	80%	0.798	S	S	*	*			cis	-88.7	0	-2.7	35.2	-31.6	0	0	0	113.5

Retrieved 1,037 of 1,037 residues in 951.2 ms (Link to these results)

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