A0A3Q0KSS9_SCHMA Loading...

cysteine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KSS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 880 aa.

						>A0A3Q0KSS9_SCHMA|A0A3Q0KSS9
MLCYLGRSHFLNTPILRPYQSLLLPYYRKMEKRTQPKWVTPVQNVQNGQLPNLYLYNSLTSQKDLFIPQDGRHVKWYTCGPTVYDVSHLGHARTYVAFDVIRRVLMDYFNFKVTYVLNITDIDDKIIKRARQNHLISDYQLKNPDLATVIGDITKGIQRIKSKIPSETDPDKKAHLNSEVDRLTSLLSTVPLDEENPANYLILNARDAIADTLDAAYGASISDHQIFEALARHFEKEYLVDMECLNIIPPSVLVRVTEYIDPIIKYVKQIIDNGFAYVVPSGSVYFDTNRFASSPMHFYAKLVPTAYGDTSQLESGEGELCITGEKKSSNDFALWKASKPGEPSWPSPWGKGRPGWHIECSVMASDILGDTLDIHSGGVDLKFPHHDNELAQSEAYFGHSHWVNYFLHSGHLTISGCKMSKSLKNFITIRDALKTHTSRQIRLIFLLHSWRDTMDYSVDTLAEAVGFEKQLIDFLYTCSNIQFLAKQSLSNKQYLEETEDSDFKQTLVDIQHKVYDALCDSCDTRSVLDCIKVLMSEADSRIFSRIEPNKRISNLADDAFATGRFILQLLRIFGVADHTAVAAGSPVPSGATIAGGKVPEHHENIPLREADESAFGFRSWLSLDRLTEERLISSVHKSLEASSIFIQAIIHEGDTFKEIVDTFACEMQKQYGIDLFNVESDGRQSLECILKTTNQTSLSESTCIPHGLEINVWPVVLNFLHILVSVRNTIRKILSSGSITDSSCKKRLYEACDRFRDIDLVNSGIRLQDRATAIDLSRGLDISPFIGLVDKKFLISEHSESKTKRVETKVIKEIVKQETGHIPPWELFLSEVDKYSKFDSKGMPTHDASGNELTKSALKKLQKLYIAQEKRHAAFLKSKE
					

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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	22.2	Very low	27.1	Very low	232 Å²	232	162.5 Å²	162.5	100%	1.143	82%	0.821	S	S	*	*				0	126.5	0	-135.8	-175	-179	0	0	107.4
2	L	28.1	Very low	27	Very low	143 Å²	143	161.5 Å²	161.5	75%	0.749	82%	0.82	S	S	*	*			trans	73.9	98.4	164.3	-60.3	157.8	0	0	0	116
3	C	23.6	Very low	27.4	Very low	110 Å²	110	158.9 Å²	158.9	74%	0.743	82%	0.818	S	S	*	*				56.7	107.4	78.4	-67	0	0	0	0	112.3
4	Y	35.7	Very low	27.5	Very low	235 Å²	235	156.4 Å²	156.4	92%	0.922	82%	0.817	S	S	*	*			trans	-145.9	106.7	143.7	-105.3	-80.5	0	0	0	110.6
5	L	26.6	Very low	27.9	Very low	175 Å²	175	156.2 Å²	156.2	92%	0.916	82%	0.815	S	S	*	*			trans	-66.9	139.4	158.5	-74	150.1	0	0	0	109.3
6	G	29.2	Very low	27.9	Very low	65 Å²	65	156.9 Å²	156.9	67%	0.67	82%	0.818	S	S	*	*			trans	176.8	88.3	169.2	0	0	0	0	0	109.6
7	R	25.7	Very low	27.9	Very low	244 Å²	244	161 Å²	161	92%	0.921	82%	0.821	S	S	*	*				92.6	134.6	86.8	-89.5	-170.2	-174.6	-154.6	2.1	112.7
8	S	24.7	Very low	28.2	Very low	99 Å²	99	158.2 Å²	158.2	69%	0.692	82%	0.815	S	S	*	*			trans	77.5	109.5	148.3	58.4	0	0	0	0	120.8
9	H	24.5	Very low	28.4	Very low	163 Å²	163	161.9 Å²	161.9	76%	0.755	82%	0.819	S	S	*	*				54.3	122.9	123.2	-66.8	-72.3	0	0	0	119.2
10	F	27.8	Very low	28.6	Very low	182 Å²	182	163.2 Å²	163.2	80%	0.798	82%	0.822	S	S	*	*				174.9	138.6	93.7	-96.7	-75.1	0	0	0	112.2
11	L	29.7	Very low	28.8	Very low	139 Å²	139	159.6 Å²	159.6	73%	0.728	81%	0.812	S	S	*	*			trans	76.4	98.9	144.6	-60.9	162.2	0	0	0	121.9
12	N	25.9	Very low	29.4	Very low	151 Å²	151	156.9 Å²	156.9	81%	0.807	80%	0.802	S	S	*	*				32.5	106.3	115.6	-72.3	-9.8	0	0	0	118.8
13	T	32	Very low	29.5	Very low	128 Å²	128	157 Å²	157	79%	0.785	80%	0.802	S	S	*	*				-151	138	127.7	26.5	0	0	0	0	109	I15	T13-I15 PolarHBondContact O-N 2.73Å
14	P	29	Very low	30	Very low	124 Å²	124	159.8 Å²	159.8	81%	0.805	81%	0.809	S	S	*	*			trans	-80.2	104.9	-170.8	31.4	-31	0	0	0	110.1	L16	P14-L16 PolarHBondContact O-N 2.87Å
15	I	33.3	Very low	30.1	Very low	153 Å²	153	152.8 Å²	152.8	79%	0.785	79%	0.792	S	S	*	*			trans	-78.2	107.9	165.2	-61.8	174.1	0	0	0	106.7	T13 R17	T13-I15 PolarHBondContact O-N 2.73Å; I15-R17 PolarHBondContact O-N 2.75Å
16	L	28.7	Very low	30.5	Very low	167 Å²	167	154.7 Å²	154.7	87%	0.874	79%	0.788	S	S	*	*			trans	-43.9	99.1	164.9	-78	151.3	0	0	0	109.4	P14	P14-L16 PolarHBondContact O-N 2.87Å
17	R	28.4	Very low	30.8	Very low	227 Å²	227	161.6 Å²	161.6	86%	0.857	80%	0.796	S	S	*	*			trans	-78.1	120.9	166	-79.9	-169.7	178.4	-171.1	0.4	107.3	I15 Y19	I15-R17 PolarHBondContact O-N 2.75Å; R17-Y19 PolarHBondContact O-N 3.5Å
18	P	33.2	Very low	31.1	Very low	111 Å²	111	159.7 Å²	159.7	72%	0.721	79%	0.789	S	S	*	*			trans	-64.7	135.2	177.8	28.5	-32.3	0	0	0	107.9	Q20	P18-Q20 PolarHBondContact O-N 3.12Å
19	Y	31.3	Very low	31.7	Very low	228 Å²	228	164.1 Å²	164.1	89%	0.894	80%	0.795	S	S	*	*			trans	-48.2	104.3	163.4	-93.9	-106.6	0	0	0	107.8	R17 S21	R17-Y19 PolarHBondContact O-N 3.5Å; Y19-S21 PolarHBondContact O-N 3.09Å
20	Q	31.5	Very low	32.6	Very low	188 Å²	188	165 Å²	165	88%	0.879	80%	0.802	S	S	*	*			trans	-66.3	86.4	158.6	-80.2	-179.4	-29.8	0	0	105.7	P18 L22	P18-Q20 PolarHBondContact O-N 3.12Å; Q20-L22 PolarHBondContact O-N 3.48Å
21	S	34.2	Very low	33.6	Very low	88 Å²	88	165.1 Å²	165.1	62%	0.615	81%	0.805	S	S	*	*			trans	-57.6	118.4	168.9	55.4	0	0	0	0	107.9	Y19 L23	Y19-S21 PolarHBondContact O-N 3.09Å; S21-L23 PolarHBondContact O-N 3.03Å
22	L	33.4	Very low	35.2	Very low	175 Å²	175	167.1 Å²	167.1	92%	0.916	81%	0.808	S	S	*	*	S	Bend	trans	-60.8	48.6	169.3	-89.1	145.5	0	0	0	113	Q20	Q20-L22 PolarHBondContact O-N 3.48Å
23	L	32.1	Very low	37.7	Very low	144 Å²	144	163.6 Å²	163.6	75%	0.754	78%	0.783	S	S	*	*			trans	-127.3	66.1	175.6	-67.1	170.6	0	0	0	108.1	S21 P25	S21-L23 PolarHBondContact O-N 3.03Å; L23-P25 VanDerWaalsContact O-CD 3.29Å; L23-P25 WeakPolarHBondContact O-CD 3.49Å
24	L	33.5	Very low	39.9	Very low	169 Å²	169	162.8 Å²	162.8	89%	0.885	78%	0.778	S	S	*	*			trans	-64.4	114.5	149.7	-86	160.6	0	0	0	105	Y26	L24-Y26 PolarHBondContact O-N 3.27Å; L24-Y26 VanDerWaalsContact O-N 3.13Å
25	P	38.3	Very low	42.4	Very low	88 Å²	88	159.6 Å²	159.6	57%	0.571	75%	0.753	S	S	*	*			trans	-57.2	128.5	170.9	5.3	2.7	0	0	0	105.4	L23 Y27	L23-P25 VanDerWaalsContact O-CD 3.29Å; L23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-Y27 HydrophobicContact CG-CD2 4.41Å; P25-Y27 HydrophobicContact CG-CE2 4.2Å; P25-Y27 PolarHBondContact O-N 3.07Å
26	Y	33.4	Very low	44.7	Very low	215 Å²	215	154.2 Å²	154.2	84%	0.843	73%	0.727	S	S	*	*			trans	-55.3	87.2	163.9	-148.1	-96.1	0	0	0	105.5	L24 R28	L24-Y26 PolarHBondContact O-N 3.27Å; L24-Y26 VanDerWaalsContact O-N 3.13Å; Y26-R28 HydrophobicContact CD1-CB 4.14Å; Y26-R28 HydrophobicContact CD1-CG 4.29Å; Y26-R28 HydrophobicContact CE1-CG 4.38Å; Y26-R28 PolarHBondContact O-N 3.38Å
27	Y	35.6	Very low	47.4	Very low	210 Å²	210	155.5 Å²	155.5	82%	0.824	73%	0.726	S	S	*	*			trans	-65.4	77.5	160.6	-88.8	-86.3	0	0	0	103.7	P25 K29	P25-Y27 HydrophobicContact CG-CD2 4.41Å; P25-Y27 HydrophobicContact CG-CE2 4.2Å; P25-Y27 PolarHBondContact O-N 3.07Å; Y27-K29 PolarHBondContact O-N 2.93Å
28	R	32.8	Very low	50.3	Low	205 Å²	205	146.8 Å²	146.8	77%	0.774	69%	0.693	S	S	*	*			trans	-55.4	99	156.5	-146.6	178.5	-172.6	-175.9	1.2	101.5	Y26 M30	Y26-R28 HydrophobicContact CD1-CB 4.14Å; Y26-R28 HydrophobicContact CD1-CG 4.29Å; Y26-R28 HydrophobicContact CE1-CG 4.38Å; Y26-R28 PolarHBondContact O-N 3.38Å; R28-M30 PolarHBondContact O-N 3.16Å
29	K	37.2	Very low	52.8	Low	191 Å²	191	146.4 Å²	146.4	83%	0.83	69%	0.689	S	S	*	*			trans	-47.5	104.9	159.2	-90.9	179.6	172.4	177.1	0	102.5	Y27 E31	Y27-K29 PolarHBondContact O-N 2.93Å; K29-E31 VanDerWaalsContact C-N 3.35Å; K29-E31 PolarHBondContact O-N 2.84Å
30	M	43.4	Very low	55.4	Low	183 Å²	183	138.4 Å²	138.4	90%	0.901	66%	0.663	S	S	*	*			trans	-53.5	115.8	165.2	-76.3	-176.1	172.4	0	0	103	R28 K32	R28-M30 PolarHBondContact O-N 3.16Å; M30-K32 PolarHBondContact O-N 3.39Å; M30-K32 VanDerWaalsContact O-N 3.12Å
31	E	49.1	Very low	58.1	Low	183 Å²	183	130.1 Å²	130.1	86%	0.855	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-49	127.4	170.9	-76.9	177	159.6	0	0	105.9	K29 R33	K29-E31 VanDerWaalsContact C-N 3.35Å; K29-E31 PolarHBondContact O-N 2.84Å; E31-R33 PolarHBondContact O-N 3.27Å
32	K	64.3	Low	60.3	Low	181 Å²	181	131.4 Å²	131.4	79%	0.787	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-51.6	122.9	178.4	-73.6	-175.7	175.6	-175	0	106.2	M30 T34	M30-K32 PolarHBondContact O-N 3.39Å; M30-K32 VanDerWaalsContact O-N 3.12Å; K32-T34 PolarHBondContact O-N 2.97Å
33	R	76.9	Confident	62.1	Low	77 Å²	77	127.2 Å²	127.2	29%	0.291	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-51.3	118.1	177.6	-70.9	176.9	74.6	103.9	-0.8	107.2	E31 F298 Y299 P304 Y307	E31-R33 PolarHBondContact O-N 3.27Å; R33-F298 HydrophobicContact CB-CZ 4.37Å; R33-Y299 PolarHBondContact NH2-O 3.2Å; R33-Y299 VanDerWaalsContact NH2-O 3.14Å; R33-P304 HydrophobicContact CB-CB 4.03Å; R33-P304 WeakPolarHBondContact O-CB 3.35Å; R33-Y307 VanDerWaalsContact CD-CD1 3.49Å
34	T	79.7	Confident	63.8	Low	111 Å²	111	126.3 Å²	126.3	68%	0.681	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-94	150.3	174.3	53.9	0	0	0	0	108.6	K32 F298	K32-T34 PolarHBondContact O-N 2.97Å; T34-F298 WeakPolarHBondContact O-CZ 3.31Å
35	Q	80.1	Confident	65	Low	58 Å²	58	120.3 Å²	120.3	27%	0.271	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-56.8	140.2	174.6	-171.1	-165.3	-11.1	0	0	110.6	L59 P304	Q35-L59 PolarHBondContact NE2-O 3Å; Q35-L59 PolarHBondContact OE1-O 3.37Å; Q35-P304 HydrophobicContact CB-CG 4.1Å
36	P	81.8	Confident	65.7	Low	39 Å²	39	125 Å²	125	25%	0.253	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-62.8	157.7	171.9	27	-34.6	0	0	0	111.2	W38 F298 K301	P36-W38 PolarHBondContact O-N 3.35Å; P36-F298 HydrophobicContact CG-CB 4.39Å; P36-F298 HydrophobicContact CG-CD1 4.29Å; P36-F298 HydrophobicContact CG-CG 4.2Å; P36-K301 HydrophobicContact CG-CD 4.06Å; P36-K301 HydrophobicContact CG-CG 3.56Å
37	K	85.1	Confident	66.6	Low	195 Å²	195	122.2 Å²	122.2	85%	0.848	59%	0.586	S	S	*	*			trans	-59.3	113.5	178.8	-174.3	179.2	-179.9	-177.2	0	110.1
38	W	89.3	Confident	68.2	Low	43 Å²	43	113.5 Å²	113.5	16%	0.163	56%	0.56	C	S	.	*			trans	-74.4	142.6	169.3	-177.4	80.5	0	0	0	110	P36 T40 T60 D64 N404 Y405	P36-W38 PolarHBondContact O-N 3.35Å; W38-T40 HydrophobicContact CH2-CG2 4.05Å; W38-T40 HydrophobicContact CZ3-CG2 4.41Å; W38-T40 WeakPolarHBondContact CZ3-OG1 3.11Å; W38-T60 HydrophobicContact CB-CG2 3.5Å; W38-T60 HydrophobicContact CD2-CG2 3.63Å; W38-T60 HydrophobicContact CE3-CG2 3.88Å; W38-T60 HydrophobicContact CG-CG2 3.46Å; W38-T60 VanDerWaalsContact CG-CG2 3.46Å; W38-D64 HydrophobicContact CH2-CB 3.58Å; W38-D64 HydrophobicContact CZ2-CB 4.36Å; W38-D64 HydrophobicContact CZ3-CB 3.74Å; W38-D64 VanDerWaalsContact CZ3-CG 3.47Å; W38-N404 PolarHBondContact NE1-O 3.34Å; W38-Y405 AromaticContact CH2-CE1 3.89Å; W38-Y405 HydrophobicContact CH2-CE1 3.89Å; W38-Y405 HydrophobicContact CZ2-CD1 4.24Å; W38-Y405 AromaticContact CZ2-CE1 3.66Å; W38-Y405 HydrophobicContact CZ2-CE1 3.66Å; W38-Y405 AromaticContact CZ2-CZ 3.99Å
39	V	87	Confident	70.6	Confident	103 Å²	103	108.1 Å²	108.1	62%	0.624	54%	0.544	S	S	*	.			trans	-121.2	125	179.3	-179.1	0	0	0	0	107.5
40	T	86.2	Confident	73.2	Confident	60 Å²	60	100 Å²	100	37%	0.368	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-62	133.6	175.3	-49.1	0	0	0	0	109.8	W38 I67	W38-T40 HydrophobicContact CH2-CG2 4.05Å; W38-T40 HydrophobicContact CZ3-CG2 4.41Å; W38-T40 WeakPolarHBondContact CZ3-OG1 3.11Å; T40-I67 HydrophobicContact CG2-CD1 3.87Å; T40-I67 HydrophobicContact CG2-CG1 4.41Å
41	P	86.7	Confident	75.6	Confident	14 Å²	14	91.5 Å²	91.5	9%	0.091	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-54.5	143.9	176.2	-26.5	36	0	0	0	112.3	I67 N404 Y405	P41-I67 HydrophobicContact CB-CB 4.4Å; P41-I67 HydrophobicContact CB-CG2 4.46Å; P41-N404 HydrophobicContact CG-CB 3.89Å; P41-N404 VanDerWaalsContact CG-CG 3.5Å; P41-N404 WeakPolarHBondContact CG-OD1 3.37Å; P41-Y405 VanDerWaalsContact CD-OH 3.3Å; P41-Y405 WeakPolarHBondContact CD-OH 3.49Å; P41-Y405 HydrophobicContact CG-CE2 4.16Å
42	V	81.9	Confident	77.8	Confident	115 Å²	115	87.4 Å²	87.4	70%	0.697	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-79.5	128.7	175.8	-177.5	0	0	0	0	109	N44	V42-N44 PolarHBondContact O-N 3.14Å
43	Q	69.8	Low	79.3	Confident	88 Å²	88	78.8 Å²	78.8	41%	0.411	41%	0.414	S	S	.	.			trans	-69.5	101.2	177.8	-173.8	178.4	2.7	0	0	110.7	V45 G48 L50 I67	Q43-V45 HydrophobicContact CG-CB 3.97Å; Q43-V45 HydrophobicContact CG-CG2 3.4Å; Q43-V45 VanDerWaalsContact CG-CG2 3.4Å; Q43-V45 PolarHBondContact O-N 2.92Å; Q43-V45 VanDerWaalsContact O-N 3.12Å; Q43-G48 PolarHBondContact NE2-O 2.82Å; Q43-L50 HydrophobicContact CG-CD1 4.15Å; Q43-I67 HydrophobicContact CB-CG2 3.99Å; Q43-I67 HydrophobicContact CG-CG2 4.44Å
44	N	68.4	Low	80.4	Confident	124 Å²	124	79.1 Å²	79.1	66%	0.663	42%	0.416	S	S	*	.			trans	-83.5	44.2	174.4	-84.8	-23	0	0	0	112.7	V42	V42-N44 PolarHBondContact O-N 3.14Å
45	V	57.4	Low	81.2	Confident	43 Å²	43	73.9 Å²	73.9	26%	0.261	38%	0.384	S	S	.	.			trans	-97.5	107.2	-177.3	-166.2	0	0	0	0	110	Q43 N47 G48 L50	Q43-V45 HydrophobicContact CG-CB 3.97Å; Q43-V45 HydrophobicContact CG-CG2 3.4Å; Q43-V45 VanDerWaalsContact CG-CG2 3.4Å; Q43-V45 PolarHBondContact O-N 2.92Å; Q43-V45 VanDerWaalsContact O-N 3.12Å; V45-N47 VanDerWaalsContact C-N 3.28Å; V45-N47 PolarHBondContact O-N 3.44Å; V45-G48 VanDerWaalsContact CG1-O 3.28Å; V45-G48 WeakPolarHBondContact CG1-O 3.44Å; V45-L50 HydrophobicContact CG2-CD1 4.48Å
46	Q	54.2	Low	82.1	Confident	186 Å²	186	73.5 Å²	73.5	87%	0.869	38%	0.38	S	S	*	.	S	Bend	trans	-67.2	-25.4	172.5	-74.5	-174	-3.7	0	0	112.9
47	N	53	Low	82.8	Confident	157 Å²	157	71.7 Å²	71.7	84%	0.84	37%	0.368	S	S	*	.	S	Bend	trans	-154.7	50.5	-171.4	-79.3	-43.6	0	0	0	116.1	V45	V45-N47 VanDerWaalsContact C-N 3.28Å; V45-N47 PolarHBondContact O-N 3.44Å
48	G	68	Low	83.3	Confident	27 Å²	27	62.5 Å²	62.5	28%	0.278	33%	0.328	S	S	.	.			trans	-170.6	136.9	-179.5	0	0	0	0	0	115.8	Q43 V45	Q43-G48 PolarHBondContact NE2-O 2.82Å; V45-G48 VanDerWaalsContact CG1-O 3.28Å; V45-G48 WeakPolarHBondContact CG1-O 3.44Å
49	Q	84	Confident	83.4	Confident	93 Å²	93	60.7 Å²	60.7	44%	0.435	32%	0.322	S	S	.	.			trans	-79.4	142.8	170.9	-157.1	-176.4	-23	0	0	109.5	T592 I593 G595	Q49-T592 HydrophobicContact CB-CG2 3.93Å; Q49-T592 HydrophobicContact CG-CG2 3.63Å; Q49-T592 PolarHBondContact NE2-OG1 3.39Å; Q49-I593 VanDerWaalsContact O-O 3.13Å; Q49-G595 PolarHBondContact O-N 3.41Å
50	L	91.2	Very high	83.8	Confident	20 Å²	20	56.7 Å²	56.7	11%	0.105	30%	0.298	C	S	.	.			trans	-104.9	150.1	172.1	-67.7	179.3	0	0	0	109.7	Q43 V45 I67 F111 T592 A594	Q43-L50 HydrophobicContact CG-CD1 4.15Å; V45-L50 HydrophobicContact CG2-CD1 4.48Å; L50-I67 HydrophobicContact CD1-CG2 4.24Å; L50-F111 HydrophobicContact CD2-CE1 3.91Å; L50-F111 HydrophobicContact CD2-CZ 4.37Å; L50-T592 WeakPolarHBondContact O-CG2 3.32Å; L50-A594 HydrophobicContact CD2-CB 4.25Å
51	P	94	Very high	84.1	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.026	30%	0.304	C	S	.	.			trans	-61.5	153.4	172.3	26.9	-34	0	0	0	110.5	L53 F109 F111 T592	P51-L53 HydrophobicContact CB-CB 4.23Å; P51-L53 HydrophobicContact CG-CB 4.05Å; P51-L53 PolarHBondContact O-N 3.21Å; P51-F109 HydrophobicContact CB-CD1 3.81Å; P51-F109 HydrophobicContact CB-CE1 4.01Å; P51-F109 HydrophobicContact CG-CB 4.45Å; P51-F109 HydrophobicContact CG-CD1 3.9Å; P51-F109 HydrophobicContact CG-CE1 4.49Å; P51-F109 HydrophobicContact CG-CG 4.33Å; P51-F111 HydrophobicContact CG-CE2 3.87Å; P51-F111 HydrophobicContact CG-CZ 3.84Å; P51-T592 WeakPolarHBondContact CB-O 3.32Å
52	N	94.5	Very high	84.5	Confident	97 Å²	97	61.7 Å²	61.7	52%	0.519	32%	0.324	S	S	.	.			trans	-77.8	55.3	169.5	-164.8	33.1	0	0	0	110.5	Y54 L65	N52-Y54 WeakPolarHBondContact O-CD2 3.34Å; N52-Y54 VanDerWaalsContact OD1-CE2 3.3Å; N52-Y54 WeakPolarHBondContact OD1-CE2 3.49Å; N52-L65 WeakPolarHBondContact OD1-CD1 3.47Å
53	L	97.2	Very high	85.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.			trans	-86.1	122.4	-176.1	171.8	62.3	0	0	0	109.4	P51 L55 F66 L105 F109 F111 L518	P51-L53 HydrophobicContact CB-CB 4.23Å; P51-L53 HydrophobicContact CG-CB 4.05Å; P51-L53 PolarHBondContact O-N 3.21Å; L53-L55 HydrophobicContact CD1-CD2 4.33Å; L53-F66 HydrophobicContact CD2-CD1 3.95Å; L53-F66 HydrophobicContact CG-CB 4.28Å; L53-F66 WeakPolarHBondContact O-CB 3.47Å; L53-F66 PolarHBondContact O-N 3.46Å; L53-L105 HydrophobicContact CD2-CD2 3.41Å; L53-L105 VanDerWaalsContact CD2-CD2 3.41Å; L53-F109 HydrophobicContact CD1-CD2 4.5Å; L53-F109 HydrophobicContact CD1-CE2 3.85Å; L53-F109 HydrophobicContact CD1-CZ 4.21Å; L53-F109 HydrophobicContact CD2-CD2 4.03Å; L53-F109 HydrophobicContact CD2-CE2 4.2Å; L53-F111 HydrophobicContact CD2-CE2 4.02Å; L53-L518 VanDerWaalsContact CD1-O 3.3Å; L53-L518 WeakPolarHBondContact CD1-O 3.41Å
54	Y	98.2	Very high	86.5	Confident	85 Å²	85	56 Å²	56	33%	0.333	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.2	171.9	-69.6	-102	0	0	0	109.7	N52 D64 L65 C519 S521	N52-Y54 WeakPolarHBondContact O-CD2 3.34Å; N52-Y54 VanDerWaalsContact OD1-CE2 3.3Å; N52-Y54 WeakPolarHBondContact OD1-CE2 3.49Å; Y54-D64 CarbonylContact C-O 3.59Å; Y54-D64 WeakPolarHBondContact CA-O 3.4Å; Y54-D64 VanDerWaalsContact CD1-C 3.45Å; Y54-L65 HydrophobicContact CD1-CB 4.33Å; Y54-L65 HydrophobicContact CE1-CB 3.97Å; Y54-L65 HydrophobicContact CE2-CD1 4.26Å; Y54-C519 PolarHBondContact N-O 3.1Å; Y54-S521 WeakPolarHBondContact O-CA 3.38Å; Y54-S521 PolarHBondContact O-N 3.11Å
55	L	98.2	Very high	87.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.9	170.7	-64.6	178.5	0	0	0	109.3	L53 N57 K63 D64 F66 I374 L407	L53-L55 HydrophobicContact CD1-CD2 4.33Å; L55-N57 PolarHBondContact O-N 3.35Å; L55-K63 WeakPolarHBondContact O-CA 3.4Å; L55-D64 PolarHBondContact N-O 2.77Å; L55-D64 PolarHBondContact O-N 3.47Å; L55-F66 HydrophobicContact CD1-CB 4.03Å; L55-F66 HydrophobicContact CD1-CD1 4.34Å; L55-F66 HydrophobicContact CD1-CD2 3.46Å; L55-F66 VanDerWaalsContact CD1-CD2 3.46Å; L55-F66 HydrophobicContact CD1-CE2 3.94Å; L55-F66 HydrophobicContact CD1-CG 3.67Å; L55-F66 HydrophobicContact CG-CB 4.01Å; L55-F66 HydrophobicContact CG-CD2 4.33Å; L55-F66 HydrophobicContact CG-CG 4.2Å; L55-I374 HydrophobicContact CD1-CD1 4.21Å; L55-L407 HydrophobicContact CB-CD2 4.08Å; L55-L407 HydrophobicContact CD1-CD1 4.32Å; L55-L407 HydrophobicContact CD1-CD2 4.4Å
56	Y	97.8	Very high	89.7	Confident	51 Å²	51	50.7 Å²	50.7	20%	0.2	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	105.1	170.8	-173.6	-93.3	0	0	0	109.8	S61 K63 L407 S521	Y56-S61 WeakPolarHBondContact CE2-O 3.49Å; Y56-S61 WeakPolarHBondContact OH-CA 3.37Å; Y56-S61 PolarHBondContact OH-O 2.93Å; Y56-K63 HydrophobicContact CD2-CG 4.21Å; Y56-L407 WeakPolarHBondContact O-CD2 3.25Å; Y56-S521 PolarHBondContact N-OG 3.1Å
57	N	97	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.1	-178.2	-175.4	6.1	0	0	0	108.9	L55 L59 T60 S61 Q62 D64 N404 Y405 F406	L55-N57 PolarHBondContact O-N 3.35Å; N57-L59 PolarHBondContact O-N 3.45Å; N57-L59 WeakPolarHBondContact OD1-CB 3.41Å; N57-L59 PolarHBondContact OD1-N 3.35Å; N57-L59 VanDerWaalsContact OD1-N 3.09Å; N57-T60 PolarHBondContact O-N 3.28Å; N57-T60 PolarHBondContact O-OG1 2.89Å; N57-S61 WeakPolarHBondContact O-CA 3.36Å; N57-S61 PolarHBondContact O-N 3.47Å; N57-Q62 PolarHBondContact N-O 3.05Å; N57-D64 HydrophobicContact CB-CB 4.38Å; N57-D64 WeakPolarHBondContact CB-OD2 3.24Å; N57-D64 PolarHBondContact ND2-OD2 3.46Å; N57-N404 PolarHBondContact ND2-O 2.86Å; N57-Y405 HydrophobicContact CB-CD1 4.3Å; N57-Y405 WeakPolarHBondContact OD1-CA 3.34Å; N57-F406 PolarHBondContact OD1-N 3.49Å
58	S	95.3	Very high	93.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.5	178	-64	0	0	0	0	112.8	L302 K382 F406 H408	S58-L302 VanDerWaalsContact C-CD1 3.46Å; S58-L302 WeakPolarHBondContact O-CD1 3.2Å; S58-K382 WeakPolarHBondContact OG-CE 3.45Å; S58-F406 WeakPolarHBondContact CB-O 3.26Å; S58-F406 PolarHBondContact N-O 2.98Å; S58-F406 PolarHBondContact OG-O 3.42Å; S58-H408 WeakPolarHBondContact CB-ND1 3.47Å; S58-H408 PolarHBondContact OG-ND1 2.97Å
59	L	92.5	Very high	94.7	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-57.8	174	-166.4	52.8	0	0	0	108.5	Q35 N57 K301 L302 F406	Q35-L59 PolarHBondContact NE2-O 3Å; Q35-L59 PolarHBondContact OE1-O 3.37Å; N57-L59 PolarHBondContact O-N 3.45Å; N57-L59 WeakPolarHBondContact OD1-CB 3.41Å; N57-L59 PolarHBondContact OD1-N 3.35Å; N57-L59 VanDerWaalsContact OD1-N 3.09Å; L59-K301 HydrophobicContact CD1-CG 4.1Å; L59-L302 HydrophobicContact CB-CD1 4.33Å; L59-L302 HydrophobicContact CD1-CD1 4.2Å; L59-F406 HydrophobicContact CB-CD2 4.23Å; L59-F406 HydrophobicContact CD1-CD2 4.44Å; L59-F406 HydrophobicContact CD2-CD2 4.47Å
60	T	93.6	Very high	95	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.117	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.1	-178.1	61.1	0	0	0	0	114.8	W38 N57 Q62 D64	W38-T60 HydrophobicContact CB-CG2 3.5Å; W38-T60 HydrophobicContact CD2-CG2 3.63Å; W38-T60 HydrophobicContact CE3-CG2 3.88Å; W38-T60 HydrophobicContact CG-CG2 3.46Å; W38-T60 VanDerWaalsContact CG-CG2 3.46Å; N57-T60 PolarHBondContact O-N 3.28Å; N57-T60 PolarHBondContact O-OG1 2.89Å; T60-Q62 PolarHBondContact O-N 3.46Å; T60-Q62 VanDerWaalsContact OG1-CG 3.28Å; T60-Q62 WeakPolarHBondContact OG1-CG 3.5Å; T60-D64 WeakPolarHBondContact CB-OD2 3.27Å; T60-D64 WeakPolarHBondContact CG2-OD2 3.2Å; T60-D64 PolarHBondContact OG1-OD2 3.28Å
61	S	92.9	Very high	94.8	Very high	71 Å²	71	35.8 Å²	35.8	50%	0.497	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	24.3	-173.4	-60.6	0	0	0	0	114.7	Y56 N57	Y56-S61 WeakPolarHBondContact CE2-O 3.49Å; Y56-S61 WeakPolarHBondContact OH-CA 3.37Å; Y56-S61 PolarHBondContact OH-O 2.93Å; N57-S61 WeakPolarHBondContact O-CA 3.36Å; N57-S61 PolarHBondContact O-N 3.47Å
62	Q	95.2	Very high	94.7	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.509	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	175.1	178.8	62.7	-178.2	6	0	0	110.7	N57 T60 D64	N57-Q62 PolarHBondContact N-O 3.05Å; T60-Q62 PolarHBondContact O-N 3.46Å; T60-Q62 VanDerWaalsContact OG1-CG 3.28Å; T60-Q62 WeakPolarHBondContact OG1-CG 3.5Å; Q62-D64 PolarHBondContact NE2-OD1 2.98Å
63	K	97	Very high	94.8	Very high	72 Å²	72	38 Å²	38	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114	172.5	-64.8	178.6	178.5	172.5	0	108.7	L55 Y56 D520	L55-K63 WeakPolarHBondContact O-CA 3.4Å; Y56-K63 HydrophobicContact CD2-CG 4.21Å; K63-D520 WeakPolarHBondContact CD-OD1 3.44Å; K63-D520 VanDerWaalsContact CE-OD1 3.3Å; K63-D520 WeakPolarHBondContact CE-OD1 3.39Å; K63-D520 IonicContact NZ-OD1 3.71Å; K63-D520 PolarHBondContact NZ-OD1 3.43Å; K63-D520 IonicContact NZ-OD2 2.96Å; K63-D520 PolarHBondContact NZ-OD2 3.46Å
64	D	97	Very high	94.8	Very high	11 Å²	11	38 Å²	38	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	149	176.9	-65	-47.2	0	0	0	110.6	W38 Y54 L55 N57 T60 Q62 F66 Y405	W38-D64 HydrophobicContact CH2-CB 3.58Å; W38-D64 HydrophobicContact CZ2-CB 4.36Å; W38-D64 HydrophobicContact CZ3-CB 3.74Å; W38-D64 VanDerWaalsContact CZ3-CG 3.47Å; Y54-D64 CarbonylContact C-O 3.59Å; Y54-D64 WeakPolarHBondContact CA-O 3.4Å; Y54-D64 VanDerWaalsContact CD1-C 3.45Å; L55-D64 PolarHBondContact N-O 2.77Å; L55-D64 PolarHBondContact O-N 3.47Å; N57-D64 HydrophobicContact CB-CB 4.38Å; N57-D64 WeakPolarHBondContact CB-OD2 3.24Å; N57-D64 PolarHBondContact ND2-OD2 3.46Å; T60-D64 WeakPolarHBondContact CB-OD2 3.27Å; T60-D64 WeakPolarHBondContact CG2-OD2 3.2Å; T60-D64 PolarHBondContact OG1-OD2 3.28Å; Q62-D64 PolarHBondContact NE2-OD1 2.98Å; D64-F66 PolarHBondContact O-N 3.31Å; D64-Y405 HydrophobicContact CB-CE1 4.23Å
65	L	96.5	Very high	94.8	Very high	54 Å²	54	36.2 Å²	36.2	28%	0.283	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.9	173.2	178.3	64.6	0	0	0	109.5	N52 Y54 I67 Y405	N52-L65 WeakPolarHBondContact OD1-CD1 3.47Å; Y54-L65 HydrophobicContact CD1-CB 4.33Å; Y54-L65 HydrophobicContact CE1-CB 3.97Å; Y54-L65 HydrophobicContact CE2-CD1 4.26Å; L65-I67 HydrophobicContact CD2-CD1 3.96Å; L65-I67 HydrophobicContact CD2-CG1 4.26Å; L65-I67 HydrophobicContact CG-CD1 4.32Å; L65-I67 HydrophobicContact CG-CG1 4.08Å; L65-Y405 PolarHBondContact O-OH 3.06Å
66	F	96.6	Very high	94.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.178	C	C	.	.			trans	-86.5	113.6	-178	179.8	-110.4	0	0	0	111.5	L53 L55 D64 P68 V74 L105 F111 I374 Y405	L53-F66 HydrophobicContact CD2-CD1 3.95Å; L53-F66 HydrophobicContact CG-CB 4.28Å; L53-F66 WeakPolarHBondContact O-CB 3.47Å; L53-F66 PolarHBondContact O-N 3.46Å; L55-F66 HydrophobicContact CD1-CB 4.03Å; L55-F66 HydrophobicContact CD1-CD1 4.34Å; L55-F66 HydrophobicContact CD1-CD2 3.46Å; L55-F66 VanDerWaalsContact CD1-CD2 3.46Å; L55-F66 HydrophobicContact CD1-CE2 3.94Å; L55-F66 HydrophobicContact CD1-CG 3.67Å; L55-F66 HydrophobicContact CG-CB 4.01Å; L55-F66 HydrophobicContact CG-CD2 4.33Å; L55-F66 HydrophobicContact CG-CG 4.2Å; D64-F66 PolarHBondContact O-N 3.31Å; F66-P68 HydrophobicContact CD1-CG 4.41Å; F66-P68 HydrophobicContact CE1-CG 3.71Å; F66-P68 HydrophobicContact CZ-CG 3.93Å; F66-V74 HydrophobicContact CE1-CG2 3.99Å; F66-V74 HydrophobicContact CZ-CG1 3.95Å; F66-V74 HydrophobicContact CZ-CG2 3.83Å; F66-L105 HydrophobicContact CE1-CD2 4.28Å; F66-F111 HydrophobicContact CD1-CE2 4.5Å; F66-F111 HydrophobicContact CD1-CZ 4.15Å; F66-F111 HydrophobicContact CE1-CE1 4.24Å; F66-F111 HydrophobicContact CE1-CE2 4.4Å; F66-F111 HydrophobicContact CE1-CZ 4.11Å; F66-I374 HydrophobicContact CE2-CD1 3.6Å; F66-I374 HydrophobicContact CE2-CG1 3.77Å; F66-I374 HydrophobicContact CZ-CD1 3.74Å; F66-I374 HydrophobicContact CZ-CG1 4.29Å; F66-Y405 HydrophobicContact CD2-CD1 4.36Å; F66-Y405 AromaticContact CD2-CD2 3.7Å; F66-Y405 HydrophobicContact CD2-CD2 3.7Å; F66-Y405 HydrophobicContact CD2-CE1 4.27Å; F66-Y405 AromaticContact CD2-CE2 3.62Å; F66-Y405 HydrophobicContact CD2-CE2 3.62Å; F66-Y405 HydrophobicContact CD2-CG 4.12Å; F66-Y405 AromaticContact CD2-CZ 3.94Å; F66-Y405 AromaticContact CE2-CD2 3.79Å; F66-Y405 HydrophobicContact CE2-CD2 3.79Å; F66-Y405 AromaticContact CE2-CE2 3.94Å; F66-Y405 HydrophobicContact CE2-CE2 3.94Å; F66-Y405 HydrophobicContact CE2-CG 4.46Å
67	I	94.8	Very high	94.9	Very high	18 Å²	18	33.8 Å²	33.8	9%	0.092	17%	0.169	C	C	.	.			trans	-127.9	112	177.4	-55.1	-175.6	0	0	0	108.4	T40 P41 Q43 L50 L65 Y405	T40-I67 HydrophobicContact CG2-CD1 3.87Å; T40-I67 HydrophobicContact CG2-CG1 4.41Å; P41-I67 HydrophobicContact CB-CB 4.4Å; P41-I67 HydrophobicContact CB-CG2 4.46Å; Q43-I67 HydrophobicContact CB-CG2 3.99Å; Q43-I67 HydrophobicContact CG-CG2 4.44Å; L50-I67 HydrophobicContact CD1-CG2 4.24Å; L65-I67 HydrophobicContact CD2-CD1 3.96Å; L65-I67 HydrophobicContact CD2-CG1 4.26Å; L65-I67 HydrophobicContact CG-CD1 4.32Å; L65-I67 HydrophobicContact CG-CG1 4.08Å; I67-Y405 PolarHBondContact N-OH 2.76Å
68	P	94.3	Very high	95	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.169	C	C	.	.			trans	-70.3	147.6	171.2	-15.5	29.9	0	0	0	111.7	F66 H73 V74 F111 D373	F66-P68 HydrophobicContact CD1-CG 4.41Å; F66-P68 HydrophobicContact CE1-CG 3.71Å; F66-P68 HydrophobicContact CZ-CG 3.93Å; P68-H73 WeakPolarHBondContact CB-O 3.37Å; P68-V74 HydrophobicContact CB-CG2 4.2Å; P68-V74 HydrophobicContact CG-CG2 3.82Å; P68-F111 HydrophobicContact CG-CD1 4.03Å; P68-F111 HydrophobicContact CG-CE1 3.65Å; P68-D373 WeakPolarHBondContact CA-OD1 3.26Å
69	Q	91	Very high	95.1	Very high	42 Å²	42	33.9 Å²	33.9	20%	0.196	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.9	-179.7	-70.1	174.4	-23.5	0	0	113.2	T371 D373 N404	Q69-T371 PolarHBondContact OE1-OG1 2.89Å; Q69-D373 WeakPolarHBondContact CG-OD1 3.39Å; Q69-D373 PolarHBondContact N-OD1 3.41Å; Q69-N404 VanDerWaalsContact CG-ND2 3.33Å; Q69-N404 WeakPolarHBondContact CG-ND2 3.45Å; Q69-N404 PolarHBondContact NE2-ND2 3.49Å
70	D	89.7	Confident	95.3	Very high	99 Å²	99	34.2 Å²	34.2	53%	0.529	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-108.1	57.3	-178.1	-170.6	20.7	0	0	0	111.8	R72 H73	D70-R72 PolarHBondContact O-N 3.2Å; D70-H73 HydrophobicContact CB-CB 4.21Å; D70-H73 WeakPolarHBondContact O-CB 3.27Å; D70-H73 PolarHBondContact O-N 3.24Å; D70-H73 IonicContact OD2-ND1 2.74Å
71	G	88.1	Confident	95.4	Very high	9 Å²	9	33.8 Å²	33.8	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-99.4	176.9	0	0	0	0	0	114.4
72	R	92.4	Very high	95.5	Very high	109 Å²	109	31.8 Å²	31.8	41%	0.411	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-5	178.3	-54.8	-165.4	-64.3	156.7	-0.2	113.2	D70 N110 K112 A594 G595	D70-R72 PolarHBondContact O-N 3.2Å; R72-N110 PolarHBondContact NH1-ND2 2.89Å; R72-K112 PolarHBondContact O-N 3.5Å; R72-A594 HydrophobicContact CB-CB 4.3Å; R72-A594 VanDerWaalsContact CD-O 3.26Å; R72-A594 WeakPolarHBondContact CD-O 3.33Å; R72-A594 HydrophobicContact CG-CB 3.94Å; R72-A594 PolarHBondContact NH1-O 3Å; R72-G595 VanDerWaalsContact CD-N 3.32Å
73	H	95.3	Very high	95.6	Very high	38 Å²	38	26.8 Å²	26.8	18%	0.176	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.4	178.7	-173.5	-168.9	0	0	0	109.2	P68 D70 K112 T114	P68-H73 WeakPolarHBondContact CB-O 3.37Å; D70-H73 HydrophobicContact CB-CB 4.21Å; D70-H73 WeakPolarHBondContact O-CB 3.27Å; D70-H73 PolarHBondContact O-N 3.24Å; D70-H73 IonicContact OD2-ND1 2.74Å; H73-K112 CarbonylContact C-O 3.6Å; H73-K112 VanDerWaalsContact CA-O 3.28Å; H73-K112 WeakPolarHBondContact CA-O 3.37Å; H73-K112 PolarHBondContact CD2-O 3.17Å; H73-T114 WeakPolarHBondContact NE2-CB 3.45Å; H73-T114 PolarHBondContact NE2-OG1 3.41Å
74	V	97.5	Very high	95.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.9	177	179.4	0	0	0	0	109	F66 P68 W76 F111 K112 V113 T114 D373 I374	F66-V74 HydrophobicContact CE1-CG2 3.99Å; F66-V74 HydrophobicContact CZ-CG1 3.95Å; F66-V74 HydrophobicContact CZ-CG2 3.83Å; P68-V74 HydrophobicContact CB-CG2 4.2Å; P68-V74 HydrophobicContact CG-CG2 3.82Å; V74-W76 HydrophobicContact CG1-CB 4.4Å; V74-F111 HydrophobicContact CG2-CB 3.98Å; V74-F111 HydrophobicContact CG2-CD1 3.84Å; V74-F111 HydrophobicContact CG2-CG 4.06Å; V74-K112 PolarHBondContact N-O 2.96Å; V74-V113 HydrophobicContact CB-CG2 4.13Å; V74-V113 HydrophobicContact CG2-CG2 4.47Å; V74-T114 PolarHBondContact O-N 2.95Å; V74-D373 WeakPolarHBondContact CA-OD2 3.45Å; V74-D373 HydrophobicContact CG1-CB 4.25Å; V74-I374 HydrophobicContact CG1-CD1 3.93Å; V74-I374 HydrophobicContact CG1-CG1 4.45Å
75	K	98.3	Very high	95.3	Very high	48 Å²	48	27.1 Å²	27.1	21%	0.209	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.1	170.4	-66.3	179	-178.5	-175.4	0	109.4	L368 L372 D373 I374	K75-L368 HydrophobicContact CB-CB 4.45Å; K75-L368 HydrophobicContact CB-CD1 4.36Å; K75-L368 HydrophobicContact CB-CD2 3.99Å; K75-L368 HydrophobicContact CD-CB 4.39Å; K75-L368 WeakPolarHBondContact CD-O 3.43Å; K75-L368 WeakPolarHBondContact CE-O 3.05Å; K75-L368 HydrophobicContact CG-CD2 4.23Å; K75-L368 PolarHBondContact NZ-O 3.25Å; K75-L372 HydrophobicContact CB-CB 4.22Å; K75-D373 PolarHBondContact N-OD2 3.07Å; K75-D373 WeakPolarHBondContact O-CB 3.41Å; K75-D373 PolarHBondContact O-N 2.81Å; K75-I374 PolarHBondContact O-N 3.27Å
76	W	98.7	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.9	-174.3	-173.1	-14.5	0	0	0	111	V74 T78 F98 I101 R102 L105 V113 T114 Y115 V116 I374 S376 L407	V74-W76 HydrophobicContact CG1-CB 4.4Å; W76-T78 PolarHBondContact NE1-OG1 2.87Å; W76-T78 VanDerWaalsContact NE1-OG1 3.14Å; W76-F98 HydrophobicContact CH2-CB 4.4Å; W76-F98 HydrophobicContact CZ2-CB 3.96Å; W76-F98 AromaticContact CZ2-CD1 3.99Å; W76-F98 HydrophobicContact CZ2-CD1 3.99Å; W76-F98 HydrophobicContact CZ2-CG 4.16Å; W76-I101 HydrophobicContact CH2-CB 3.94Å; W76-I101 HydrophobicContact CH2-CG2 3.61Å; W76-I101 HydrophobicContact CZ3-CG2 3.97Å; W76-R102 HydrophobicContact CH2-CB 4.29Å; W76-R102 HydrophobicContact CZ3-CB 3.91Å; W76-L105 HydrophobicContact CE3-CD1 4.18Å; W76-L105 HydrophobicContact CZ3-CD1 3.82Å; W76-V113 HydrophobicContact CB-CG1 4.26Å; W76-V113 HydrophobicContact CE3-CG1 4.13Å; W76-T114 PolarHBondContact N-O 3.43Å; W76-Y115 HydrophobicContact CB-CD2 4.13Å; W76-Y115 AromaticContact CD1-CD2 3.98Å; W76-Y115 AromaticContact CD1-CE2 3.93Å; W76-Y115 AromaticContact CD2-CD2 3.66Å; W76-Y115 HydrophobicContact CD2-CD2 3.66Å; W76-Y115 AromaticContact CD2-CE2 3.84Å; W76-Y115 HydrophobicContact CD2-CE2 3.84Å; W76-Y115 AromaticContact CE2-CD2 3.98Å; W76-Y115 AromaticContact CE2-CE2 3.63Å; W76-Y115 HydrophobicContact CE3-CD2 4.15Å; W76-Y115 AromaticContact CG-CD2 3.65Å; W76-Y115 HydrophobicContact CG-CD2 3.65Å; W76-Y115 HydrophobicContact CG-CE2 4.01Å; W76-Y115 HydrophobicContact CZ2-CE2 4.11Å; W76-Y115 AromaticContact NE1-CE2 3.65Å; W76-Y115 CarbonylContact O-C 3.6Å; W76-Y115 WeakPolarHBondContact O-CA 3.35Å; W76-V116 PolarHBondContact O-N 3.42Å; W76-I374 CarbonylContact C-O 3.54Å; W76-I374 VanDerWaalsContact CA-O 3.29Å; W76-I374 WeakPolarHBondContact CA-O 3.36Å; W76-I374 HydrophobicContact CB-CB 4.2Å; W76-I374 HydrophobicContact CD2-CB 4.04Å; W76-I374 HydrophobicContact CD2-CD1 4.19Å; W76-I374 HydrophobicContact CD2-CG2 3.86Å; W76-I374 HydrophobicContact CE3-CD1 3.96Å; W76-I374 HydrophobicContact CG-CB 3.79Å; W76-I374 HydrophobicContact CG-CG2 3.9Å; W76-I374 HydrophobicContact CZ2-CG2 4.23Å; W76-I374 HydrophobicContact CZ3-CD1 4.34Å; W76-S376 PolarHBondContact NE1-OG 3.24Å; W76-L407 HydrophobicContact CH2-CD1 4.4Å; W76-L407 HydrophobicContact CZ2-CD1 4.28Å
77	Y	98.8	Very high	95.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.7	167.4	-171.4	-94.5	0	0	0	112.7	V116 N118 C360 M363 A364 I374 H375 S376	Y77-V116 WeakPolarHBondContact CA-O 3.42Å; Y77-V116 HydrophobicContact CD2-CB 3.82Å; Y77-V116 HydrophobicContact CD2-CG1 3.62Å; Y77-V116 HydrophobicContact CE2-CB 4.48Å; Y77-V116 HydrophobicContact CE2-CG1 3.81Å; Y77-N118 VanDerWaalsContact OH-CB 3.29Å; Y77-N118 WeakPolarHBondContact OH-CB 3.37Å; Y77-N118 PolarHBondContact OH-OD1 3.21Å; Y77-C360 HydrophobicContact CE1-CB 3.96Å; Y77-C360 WeakPolarHBondContact OH-CA 3.19Å; Y77-M363 HydrophobicContact CE2-CB 4.28Å; Y77-A364 HydrophobicContact CD1-CB 3.99Å; Y77-A364 HydrophobicContact CD2-CB 3.42Å; Y77-A364 VanDerWaalsContact CD2-CB 3.42Å; Y77-A364 HydrophobicContact CE1-CB 4.23Å; Y77-A364 HydrophobicContact CE2-CB 3.7Å; Y77-A364 HydrophobicContact CG-CB 3.57Å; Y77-I374 PolarHBondContact N-O 3.23Å; Y77-H375 AromaticContact CD1-CE1 3.53Å; Y77-H375 AromaticContact CD1-NE2 3.46Å; Y77-H375 WeakPolarHBondContact CD1-NE2 3.22Å; Y77-H375 AromaticContact CE1-CE1 3.94Å; Y77-H375 AromaticContact CE1-NE2 3.94Å; Y77-H375 CarbonylContact O-C 3.53Å; Y77-H375 VanDerWaalsContact O-CA 3.31Å; Y77-H375 WeakPolarHBondContact O-CA 3.31Å; Y77-S376 PolarHBondContact O-N 3.47Å
78	T	98.6	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.5	173.1	-59.3	0	0	0	0	110.7	W76 G80 Y95 F98 Y115 V116 L117 N118 S376	W76-T78 PolarHBondContact NE1-OG1 2.87Å; W76-T78 VanDerWaalsContact NE1-OG1 3.14Å; T78-G80 PolarHBondContact O-N 3.35Å; T78-Y95 HydrophobicContact CG2-CE1 4.4Å; T78-F98 HydrophobicContact CG2-CD2 3.99Å; T78-F98 HydrophobicContact CG2-CE2 4.3Å; T78-Y115 WeakPolarHBondContact CB-OH 3.19Å; T78-Y115 WeakPolarHBondContact CG2-OH 3.43Å; T78-Y115 WeakPolarHBondContact OG1-CE2 3.5Å; T78-Y115 PolarHBondContact OG1-OH 3.5Å; T78-V116 PolarHBondContact N-O 2.98Å; T78-L117 HydrophobicContact CG2-CD1 3.92Å; T78-N118 PolarHBondContact O-OD1 2.95Å; T78-S376 WeakPolarHBondContact CA-O 3.45Å; T78-S376 PolarHBondContact OG1-OG 3.32Å
79	C	98	Very high	95	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.027	14%	0.135	C	C	.	.			trans	-66.8	115.9	169.2	-67.5	0	0	0	0	110.2	N118 C360 H375 S376 L381 H385 H386	C79-N118 VanDerWaalsContact CA-OD1 3.3Å; C79-N118 WeakPolarHBondContact CA-OD1 3.17Å; C79-C360 VanDerWaalsContact SG-SG 3.66Å; C79-H375 VanDerWaalsContact SG-CE1 3.56Å; C79-S376 PolarHBondContact N-O 2.74Å; C79-L381 HydrophobicContact CB-CD1 3.58Å; C79-H385 PolarHBondContact SG-NE2 2.97Å; C79-H385 VanDerWaalsContact SG-NE2 3.44Å; C79-H386 PolarHBondContact SG-NE2 3.39Å; C79-H386 VanDerWaalsContact SG-NE2 3.37Å
80	G	96.3	Very high	95	Very high	12 Å²	12	25.4 Å²	25.4	12%	0.124	13%	0.132	C	C	.	.			trans	-88.7	-174	175.6	0	0	0	0	0	113.5	T78 Y95 N118	T78-G80 PolarHBondContact O-N 3.35Å; G80-Y95 VanDerWaalsContact CA-OH 3.31Å; G80-Y95 WeakPolarHBondContact CA-OH 3.42Å; G80-N118 WeakPolarHBondContact CA-O 3.47Å; G80-N118 PolarHBondContact N-OD1 3.33Å
81	P	96.2	Very high	95.2	Very high	10 Å²	10	23 Å²	23	7%	0.065	12%	0.118	C	C	.	.			trans	-76.8	149.9	-168.9	32.1	-38.6	0	0	0	112.7	V83 Y95 I119 T120 Y238	P81-V83 HydrophobicContact CG-CG1 4.1Å; P81-Y95 VanDerWaalsContact CD-OH 3.32Å; P81-Y95 WeakPolarHBondContact CD-OH 3.33Å; P81-Y95 VanDerWaalsContact N-OH 3.14Å; P81-I119 HydrophobicContact CG-CD1 3.92Å; P81-T120 PolarHBondContact O-N 3.2Å; P81-Y238 HydrophobicContact CB-CD2 4.38Å; P81-Y238 HydrophobicContact CB-CE2 4.36Å; P81-Y238 HydrophobicContact CG-CD1 3.89Å; P81-Y238 HydrophobicContact CG-CD2 3.79Å; P81-Y238 HydrophobicContact CG-CE1 3.82Å; P81-Y238 HydrophobicContact CG-CE2 3.7Å; P81-Y238 HydrophobicContact CG-CG 3.88Å
82	T	95.8	Very high	95.6	Very high	30 Å²	30	22.6 Å²	22.6	18%	0.184	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-79.3	112.3	157.5	-46	0	0	0	0	109.1	Y84 T120 D123 I126	T82-Y84 VanDerWaalsContact C-N 3.33Å; T82-Y84 HydrophobicContact CG2-CD1 3.9Å; T82-Y84 WeakPolarHBondContact O-CD1 3.45Å; T82-Y84 PolarHBondContact O-N 3.14Å; T82-T120 WeakPolarHBondContact CA-O 3.25Å; T82-T120 HydrophobicContact CG2-CG2 3.98Å; T82-D123 HydrophobicContact CG2-CB 3.6Å; T82-I126 HydrophobicContact CG2-CD1 3.91Å; T82-I126 HydrophobicContact CG2-CG1 4.07Å
83	V	96.5	Very high	95.8	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	9%	0.094	C	C	.	.			trans	-86.7	62.5	-170.1	-70.4	0	0	0	0	113	P81 I119 T120 D121 I126 A231 F234 E235	P81-V83 HydrophobicContact CG-CG1 4.1Å; V83-I119 HydrophobicContact CB-CG2 4.33Å; V83-I119 HydrophobicContact CG1-CG2 3.7Å; V83-I119 HydrophobicContact CG2-CG2 3.62Å; V83-T120 WeakPolarHBondContact CG2-O 3.28Å; V83-T120 PolarHBondContact N-O 2.93Å; V83-T120 VanDerWaalsContact N-O 3.15Å; V83-D121 HydrophobicContact CG2-CB 4.18Å; V83-I126 HydrophobicContact CG2-CD1 4.27Å; V83-A231 HydrophobicContact CG2-CB 3.8Å; V83-A231 WeakPolarHBondContact CG2-O 3.27Å; V83-F234 HydrophobicContact CB-CB 4.04Å; V83-E235 HydrophobicContact CG1-CB 4.16Å
84	Y	94	Very high	95.8	Very high	54 Å²	54	16.6 Å²	16.6	21%	0.212	9%	0.091	C	C	.	.	S	Bend	trans	-99.9	-16.8	177.8	67.9	-84.3	0	0	0	114.2	T82 K125 R129 F234 K421	T82-Y84 VanDerWaalsContact C-N 3.33Å; T82-Y84 HydrophobicContact CG2-CD1 3.9Å; T82-Y84 WeakPolarHBondContact O-CD1 3.45Å; T82-Y84 PolarHBondContact O-N 3.14Å; Y84-K125 HydrophobicContact CD1-CB 3.98Å; Y84-K125 HydrophobicContact CD1-CD 4.1Å; Y84-K125 HydrophobicContact CD2-CB 4.21Å; Y84-K125 HydrophobicContact CE1-CB 4.47Å; Y84-K125 HydrophobicContact CE1-CD 3.79Å; Y84-K125 HydrophobicContact CG-CB 3.85Å; Y84-R129 WeakPolarHBondContact O-CG 3.47Å; Y84-F234 WeakPolarHBondContact O-CD2 3.26Å; Y84-F234 WeakPolarHBondContact O-CE2 3.33Å; Y84-K421 HydrophobicContact CE2-CD 4.21Å
85	D	93.3	Very high	95.9	Very high	37 Å²	37	17.3 Å²	17.3	20%	0.198	9%	0.094	C	C	.	.	S	Bend	trans	-169	172	-175	179.3	40.1	0	0	0	111.3	F234 K421	D85-F234 VanDerWaalsContact C-CD1 3.42Å; D85-F234 HydrophobicContact CB-CZ 4.48Å; D85-K421 VanDerWaalsContact C-NZ 3.26Å; D85-K421 VanDerWaalsContact CG-NZ 3.29Å; D85-K421 PolarHBondContact O-NZ 2.82Å; D85-K421 WeakPolarHBondContact OD2-CD 3.49Å; D85-K421 WeakPolarHBondContact OD2-CE 3.2Å; D85-K421 IonicContact OD2-NZ 3.98Å; D85-K421 PolarHBondContact OD2-NZ 3.08Å
86	V	94.2	Very high	95.9	Very high	40 Å²	40	15.1 Å²	15.1	24%	0.242	9%	0.085	C	C	.	.			trans	-55.1	150	-173.3	-62.5	0	0	0	0	115.1	F234 K421 F426 T428	V86-F234 HydrophobicContact CG1-CD1 4.41Å; V86-F234 HydrophobicContact CG1-CE1 3.93Å; V86-K421 WeakPolarHBondContact O-CE 3.27Å; V86-K421 PolarHBondContact O-NZ 3.35Å; V86-F426 HydrophobicContact CG2-CE2 4.48Å; V86-T428 HydrophobicContact CG2-CG2 3.72Å
87	S	95.3	Very high	95.8	Very high	8 Å²	8	15.4 Å²	15.4	6%	0.056	9%	0.087	C	C	.	.			trans	-81.8	146.1	178.3	-73.4	0	0	0	0	113.2	T428 I429	S87-T428 WeakPolarHBondContact O-CA 3.49Å; S87-I429 PolarHBondContact O-N 2.87Å
88	H	93.4	Very high	95.8	Very high	18 Å²	18	15.4 Å²	15.4	8%	0.083	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-121	169.6	-178.6	60.1	56.6	0	0	0	112.7	G90 H91 A92 M419 F426 I427	H88-G90 WeakPolarHBondContact ND1-CA 3.35Å; H88-G90 PolarHBondContact ND1-N 2.86Å; H88-G90 VanDerWaalsContact ND1-N 3.13Å; H88-G90 PolarHBondContact O-N 3.43Å; H88-G90 VanDerWaalsContact O-N 3.1Å; H88-H91 AromaticContact CD2-CE1 3.87Å; H88-H91 AromaticContact CE1-CD2 3.74Å; H88-H91 AromaticContact CE1-CE1 3.84Å; H88-H91 AromaticContact CE1-CG 3.96Å; H88-H91 AromaticContact CE1-NE2 3.64Å; H88-H91 PolarHBondContact N-ND1 2.99Å; H88-H91 PolarHBondContact ND1-N 3.44Å; H88-H91 AromaticContact NE2-CE1 3.62Å; H88-H91 AromaticContact NE2-NE2 3.61Å; H88-H91 WeakPolarHBondContact O-CB 3.43Å; H88-H91 PolarHBondContact O-N 3.21Å; H88-A92 PolarHBondContact O-N 3.18Å; H88-M419 HydrophobicContact CB-SD 4.38Å; H88-F426 HydrophobicContact CB-CB 4.25Å; H88-F426 HydrophobicContact CB-CD2 3.78Å; H88-F426 HydrophobicContact CB-CG 4.42Å; H88-I427 WeakPolarHBondContact CA-O 3.4Å; H88-I427 VanDerWaalsContact CB-O 3.3Å; H88-I427 WeakPolarHBondContact CB-O 3.27Å
89	L	93.4	Very high	95.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-56.3	-29.7	-177.9	-76.3	-177.8	0	0	0	114	H91 A92 R93 L412 M419 I427 A432 I441 Y456	L89-H91 PolarHBondContact O-N 3.27Å; L89-A92 HydrophobicContact CD2-CB 4.26Å; L89-A92 WeakPolarHBondContact O-CA 3.5Å; L89-A92 VanDerWaalsContact O-CB 3.26Å; L89-A92 WeakPolarHBondContact O-CB 3.24Å; L89-A92 PolarHBondContact O-N 3.2Å; L89-A92 VanDerWaalsContact O-N 3.17Å; L89-R93 PolarHBondContact O-N 2.99Å; L89-L412 HydrophobicContact CB-CD2 3.61Å; L89-M419 HydrophobicContact CB-CE 3.89Å; L89-M419 HydrophobicContact CB-SD 3.92Å; L89-I427 HydrophobicContact CD1-CB 4.07Å; L89-I427 HydrophobicContact CD1-CG2 4.13Å; L89-I427 HydrophobicContact CG-CB 4.44Å; L89-I427 HydrophobicContact CG-CG2 4.5Å; L89-I427 PolarHBondContact N-O 2.99Å; L89-A432 HydrophobicContact CD1-CB 3.93Å; L89-A432 HydrophobicContact CD2-CB 3.73Å; L89-A432 HydrophobicContact CG-CB 4.01Å; L89-I441 HydrophobicContact CD2-CD1 4.38Å; L89-I441 HydrophobicContact CD2-CG2 4.39Å; L89-Y456 HydrophobicContact CD1-CD1 4.4Å; L89-Y456 HydrophobicContact CD1-CD2 3.99Å; L89-Y456 HydrophobicContact CD1-CE1 3.97Å; L89-Y456 HydrophobicContact CD1-CE2 3.51Å; L89-Y456 HydrophobicContact CD1-CG 4.4Å; L89-Y456 VanDerWaalsContact CD1-CZ 3.47Å
90	G	92.2	Very high	95.9	Very high	14 Å²	14	15.9 Å²	15.9	14%	0.144	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-41.2	169.6	0	0	0	0	0	114.2	H88 R93 T94 M419	H88-G90 WeakPolarHBondContact ND1-CA 3.35Å; H88-G90 PolarHBondContact ND1-N 2.86Å; H88-G90 VanDerWaalsContact ND1-N 3.13Å; H88-G90 PolarHBondContact O-N 3.43Å; H88-G90 VanDerWaalsContact O-N 3.1Å; G90-R93 PolarHBondContact O-N 3.49Å; G90-T94 PolarHBondContact O-N 2.96Å; G90-M419 PolarHBondContact N-SD 3.33Å
91	H	94.1	Very high	96	Very high	48 Å²	48	15.4 Å²	15.4	22%	0.222	9%	0.085	C	C	.	.	H	α-helix	trans	-67.3	-41.4	172.9	-58.5	146	0	0	0	110.8	H88 L89 R93 T94 Y95	H88-H91 AromaticContact CD2-CE1 3.87Å; H88-H91 AromaticContact CE1-CD2 3.74Å; H88-H91 AromaticContact CE1-CE1 3.84Å; H88-H91 AromaticContact CE1-CG 3.96Å; H88-H91 AromaticContact CE1-NE2 3.64Å; H88-H91 PolarHBondContact N-ND1 2.99Å; H88-H91 PolarHBondContact ND1-N 3.44Å; H88-H91 AromaticContact NE2-CE1 3.62Å; H88-H91 AromaticContact NE2-NE2 3.61Å; H88-H91 WeakPolarHBondContact O-CB 3.43Å; H88-H91 PolarHBondContact O-N 3.21Å; L89-H91 PolarHBondContact O-N 3.27Å; H91-R93 VanDerWaalsContact C-N 3.27Å; H91-R93 PolarHBondContact O-N 3.01Å; H91-T94 PolarHBondContact O-N 2.98Å; H91-T94 VanDerWaalsContact O-N 3.16Å; H91-Y95 HydrophobicContact CB-CD2 4.16Å; H91-Y95 HydrophobicContact CB-CE2 4.02Å; H91-Y95 WeakPolarHBondContact O-CD2 3.46Å; H91-Y95 PolarHBondContact O-N 3.38Å
92	A	95.9	Very high	96.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.3	-43.6	176.7	0	0	0	0	0	111.5	H88 L89 T94 Y95 V96 L245 I429 F445	H88-A92 PolarHBondContact O-N 3.18Å; L89-A92 HydrophobicContact CD2-CB 4.26Å; L89-A92 WeakPolarHBondContact O-CA 3.5Å; L89-A92 VanDerWaalsContact O-CB 3.26Å; L89-A92 WeakPolarHBondContact O-CB 3.24Å; L89-A92 PolarHBondContact O-N 3.2Å; L89-A92 VanDerWaalsContact O-N 3.17Å; A92-T94 PolarHBondContact O-N 3.22Å; A92-Y95 PolarHBondContact O-N 3.06Å; A92-V96 WeakPolarHBondContact O-CB 3.47Å; A92-V96 WeakPolarHBondContact O-CG2 3.38Å; A92-V96 PolarHBondContact O-N 3.28Å; A92-L245 HydrophobicContact CB-CD1 3.69Å; A92-I429 HydrophobicContact CB-CD1 4.03Å; A92-I429 HydrophobicContact CB-CG1 4.01Å; A92-F445 HydrophobicContact CB-CE2 4.02Å; A92-F445 HydrophobicContact CB-CZ 4.2Å
93	R	95.8	Very high	96.2	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-56.4	-48.9	176.6	175	57.1	173.9	178.8	-6.8	111.7	L89 G90 H91 A97 L412 F445 H448 S449	L89-R93 PolarHBondContact O-N 2.99Å; G90-R93 PolarHBondContact O-N 3.49Å; H91-R93 VanDerWaalsContact C-N 3.27Å; H91-R93 PolarHBondContact O-N 3.01Å; R93-A97 VanDerWaalsContact O-CB 3.22Å; R93-A97 WeakPolarHBondContact O-CB 3.49Å; R93-A97 PolarHBondContact O-N 3.29Å; R93-A97 VanDerWaalsContact O-N 3.13Å; R93-L412 HydrophobicContact CB-CB 4.47Å; R93-F445 HydrophobicContact CB-CE1 4.03Å; R93-F445 HydrophobicContact CB-CE2 4.48Å; R93-F445 HydrophobicContact CB-CZ 4Å; R93-F445 VanDerWaalsContact NH1-CB 3.27Å; R93-F445 PolarHBondContact NH1-O 3.47Å; R93-H448 PolarHBondContact NH2-O 3.25Å; R93-S449 VanDerWaalsContact NH2-C 3.28Å; R93-S449 PolarHBondContact NH2-O 2.87Å
94	T	96.8	Very high	96.3	Very high	20 Å²	20	14.7 Å²	14.7	12%	0.123	8%	0.077	C	C	.	.	H	α-helix	trans	-64.1	-52.8	-179.9	-62.9	0	0	0	0	111.8	G90 H91 A92 A97 F98 S409	G90-T94 PolarHBondContact O-N 2.96Å; H91-T94 PolarHBondContact O-N 2.98Å; H91-T94 VanDerWaalsContact O-N 3.16Å; A92-T94 PolarHBondContact O-N 3.22Å; T94-A97 PolarHBondContact O-N 3.42Å; T94-F98 HydrophobicContact CG2-CD2 3.91Å; T94-F98 HydrophobicContact CG2-CE2 3.46Å; T94-F98 VanDerWaalsContact CG2-CE2 3.46Å; T94-F98 HydrophobicContact CG2-CZ 4.38Å; T94-F98 VanDerWaalsContact O-CD2 3.3Å; T94-F98 WeakPolarHBondContact O-CD2 2.85Å; T94-F98 PolarHBondContact O-N 3.47Å; T94-S409 WeakPolarHBondContact CA-OG 3.22Å; T94-S409 WeakPolarHBondContact CB-OG 3.46Å; T94-S409 WeakPolarHBondContact CG2-OG 3.31Å; T94-S409 PolarHBondContact OG1-OG 2.98Å
95	Y	98.1	Very high	96.5	Very high	15 Å²	15	12.1 Å²	12.1	6%	0.059	7%	0.067	C	C	.	.	H	α-helix	trans	-74.6	-33.1	-173.6	-61.3	-59	0	0	0	113.2	T78 G80 P81 H91 A92 D99 L117 Y238 M242	T78-Y95 HydrophobicContact CG2-CE1 4.4Å; G80-Y95 VanDerWaalsContact CA-OH 3.31Å; G80-Y95 WeakPolarHBondContact CA-OH 3.42Å; P81-Y95 VanDerWaalsContact CD-OH 3.32Å; P81-Y95 WeakPolarHBondContact CD-OH 3.33Å; P81-Y95 VanDerWaalsContact N-OH 3.14Å; H91-Y95 HydrophobicContact CB-CD2 4.16Å; H91-Y95 HydrophobicContact CB-CE2 4.02Å; H91-Y95 WeakPolarHBondContact O-CD2 3.46Å; H91-Y95 PolarHBondContact O-N 3.38Å; A92-Y95 PolarHBondContact O-N 3.06Å; Y95-D99 WeakPolarHBondContact O-CB 3.46Å; Y95-D99 PolarHBondContact O-N 2.63Å; Y95-L117 HydrophobicContact CE1-CD1 4.08Å; Y95-Y238 AromaticContact CD2-CE2 3.9Å; Y95-Y238 HydrophobicContact CD2-CE2 3.9Å; Y95-Y238 AromaticContact CE2-CE2 3.62Å; Y95-Y238 HydrophobicContact CE2-CE2 3.62Å; Y95-M242 HydrophobicContact CD2-CE 4.28Å; Y95-M242 HydrophobicContact CD2-SD 3.7Å; Y95-M242 HydrophobicContact CG-SD 3.95Å
96	V	98.3	Very high	96.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-39.8	171.8	174.9	0	0	0	0	111	A92 F98 D99 V100 L245 I247 R442 F445	A92-V96 WeakPolarHBondContact O-CB 3.47Å; A92-V96 WeakPolarHBondContact O-CG2 3.38Å; A92-V96 PolarHBondContact O-N 3.28Å; V96-F98 PolarHBondContact O-N 3.27Å; V96-D99 PolarHBondContact O-N 3.33Å; V96-V100 HydrophobicContact CG1-CG2 4.2Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.27Å; V96-V100 WeakPolarHBondContact O-CG2 3.16Å; V96-V100 PolarHBondContact O-N 3.42Å; V96-L245 HydrophobicContact CG2-CB 4.45Å; V96-I247 HydrophobicContact CG2-CD1 3.99Å; V96-I247 HydrophobicContact CG2-CG1 4.25Å; V96-R442 HydrophobicContact CG1-CG 4.13Å; V96-F445 HydrophobicContact CB-CD2 3.76Å; V96-F445 HydrophobicContact CB-CE2 4.25Å; V96-F445 HydrophobicContact CG1-CB 4.45Å; V96-F445 HydrophobicContact CG1-CD2 3.83Å; V96-F445 HydrophobicContact CG2-CD2 4.09Å; V96-F445 HydrophobicContact CG2-CE2 4.19Å
97	A	98.1	Very high	96.8	Very high	7 Å²	7	14.2 Å²	14.2	6%	0.058	8%	0.076	C	C	.	.	H	α-helix	trans	-58.5	-48.1	176.5	0	0	0	0	0	111.9	R93 T94 V100 I101 W450	R93-A97 VanDerWaalsContact O-CB 3.22Å; R93-A97 WeakPolarHBondContact O-CB 3.49Å; R93-A97 PolarHBondContact O-N 3.29Å; R93-A97 VanDerWaalsContact O-N 3.13Å; T94-A97 PolarHBondContact O-N 3.42Å; A97-V100 PolarHBondContact O-N 2.79Å; A97-I101 WeakPolarHBondContact O-CG1 3.3Å; A97-I101 PolarHBondContact O-N 3.39Å; A97-W450 HydrophobicContact CB-CB 4.01Å
98	F	98.5	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.2	-32.8	178.9	-60.6	-39.5	0	0	0	113.2	W76 T78 T94 V96 I101 R102 G377 L407 W450	W76-F98 HydrophobicContact CH2-CB 4.4Å; W76-F98 HydrophobicContact CZ2-CB 3.96Å; W76-F98 AromaticContact CZ2-CD1 3.99Å; W76-F98 HydrophobicContact CZ2-CD1 3.99Å; W76-F98 HydrophobicContact CZ2-CG 4.16Å; T78-F98 HydrophobicContact CG2-CD2 3.99Å; T78-F98 HydrophobicContact CG2-CE2 4.3Å; T94-F98 HydrophobicContact CG2-CD2 3.91Å; T94-F98 HydrophobicContact CG2-CE2 3.46Å; T94-F98 VanDerWaalsContact CG2-CE2 3.46Å; T94-F98 HydrophobicContact CG2-CZ 4.38Å; T94-F98 VanDerWaalsContact O-CD2 3.3Å; T94-F98 WeakPolarHBondContact O-CD2 2.85Å; T94-F98 PolarHBondContact O-N 3.47Å; V96-F98 PolarHBondContact O-N 3.27Å; F98-I101 HydrophobicContact CD1-CD1 4.35Å; F98-I101 PolarHBondContact O-N 3Å; F98-R102 WeakPolarHBondContact O-CB 3.48Å; F98-R102 PolarHBondContact O-N 2.86Å; F98-G377 WeakPolarHBondContact CZ-O 3.46Å; F98-L407 HydrophobicContact CE1-CB 4.02Å; F98-L407 WeakPolarHBondContact CZ-O 3.47Å; F98-W450 HydrophobicContact CE1-CZ3 4.49Å
99	D	98.6	Very high	97.1	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.027	7%	0.07	C	C	.	.	H	α-helix	trans	-60.8	-45.5	170.9	178.5	70.6	0	0	0	111.6	Y95 V96 R102 R103 I247 I248 R442	Y95-D99 WeakPolarHBondContact O-CB 3.46Å; Y95-D99 PolarHBondContact O-N 2.63Å; V96-D99 PolarHBondContact O-N 3.33Å; D99-R102 PolarHBondContact O-N 3.43Å; D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 VanDerWaalsContact O-CG 3.24Å; D99-R103 WeakPolarHBondContact O-CG 3.31Å; D99-R103 PolarHBondContact O-N 3.49Å; D99-R103 IonicContact OD1-NE 3.12Å; D99-R103 PolarHBondContact OD1-NE 2.86Å; D99-R103 WeakPolarHBondContact OD2-CD 3.45Å; D99-R103 IonicContact OD2-CZ 3.41Å; D99-R103 IonicContact OD2-NE 2.7Å; D99-R103 PolarHBondContact OD2-NE 3.43Å; D99-R103 IonicContact OD2-NH2 2.68Å; D99-I247 HydrophobicContact CB-CB 4.5Å; D99-I247 HydrophobicContact CB-CG1 4.16Å; D99-I247 HydrophobicContact CB-CG2 4.14Å; D99-I248 PolarHBondContact OD1-N 3.22Å; D99-R442 IonicContact OD2-CZ 3.97Å; D99-R442 VanDerWaalsContact OD2-CZ 3.29Å; D99-R442 IonicContact OD2-NH1 3.92Å; D99-R442 PolarHBondContact OD2-NH1 2.9Å; D99-R442 IonicContact OD2-NH2 3.5Å; D99-R442 PolarHBondContact OD2-NH2 2.89Å
100	V	98.6	Very high	97.2	Very high	9 Å²	9	16.8 Å²	16.8	6%	0.055	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-48.2	176.8	169.3	0	0	0	0	111.1	V96 A97 R102 R103 V104 L446 T524 F573	V96-V100 HydrophobicContact CG1-CG2 4.2Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.27Å; V96-V100 WeakPolarHBondContact O-CG2 3.16Å; V96-V100 PolarHBondContact O-N 3.42Å; A97-V100 PolarHBondContact O-N 2.79Å; V100-R102 VanDerWaalsContact C-N 3.33Å; V100-R102 PolarHBondContact O-N 3.37Å; V100-R103 PolarHBondContact O-N 3.44Å; V100-V104 WeakPolarHBondContact O-CG2 3.4Å; V100-V104 PolarHBondContact O-N 3.13Å; V100-L446 HydrophobicContact CB-CD2 4.42Å; V100-L446 HydrophobicContact CG1-CD2 3.73Å; V100-L446 HydrophobicContact CG2-CD2 3.84Å; V100-T524 HydrophobicContact CG1-CG2 3.84Å; V100-F573 HydrophobicContact CG1-CD1 4.15Å
101	I	98.7	Very high	97.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-44.6	177.4	-66.3	166.3	0	0	0	110.1	W76 A97 F98 R103 V104 L105 L407 W450 C522	W76-I101 HydrophobicContact CH2-CB 3.94Å; W76-I101 HydrophobicContact CH2-CG2 3.61Å; W76-I101 HydrophobicContact CZ3-CG2 3.97Å; A97-I101 WeakPolarHBondContact O-CG1 3.3Å; A97-I101 PolarHBondContact O-N 3.39Å; F98-I101 HydrophobicContact CD1-CD1 4.35Å; F98-I101 PolarHBondContact O-N 3Å; I101-R103 PolarHBondContact O-N 2.95Å; I101-V104 PolarHBondContact O-N 3.19Å; I101-L105 HydrophobicContact CG2-CD1 4.45Å; I101-L105 HydrophobicContact CG2-CG 4.46Å; I101-L105 WeakPolarHBondContact O-CG 3.47Å; I101-L105 PolarHBondContact O-N 3.22Å; I101-L407 HydrophobicContact CG2-CD1 4.37Å; I101-W450 HydrophobicContact CD1-CD2 3.79Å; I101-W450 HydrophobicContact CD1-CE3 4.04Å; I101-W450 HydrophobicContact CD1-CG 4.19Å; I101-W450 HydrophobicContact CD1-CH2 4.46Å; I101-W450 HydrophobicContact CD1-CZ2 4.21Å; I101-W450 HydrophobicContact CD1-CZ3 4.37Å; I101-C522 HydrophobicContact CG1-CB 4.13Å
102	R	98.6	Very high	97.5	Very high	12 Å²	12	20.7 Å²	20.7	5%	0.045	10%	0.101	C	C	.	.	H	α-helix	trans	-58.1	-45.8	176.8	176.9	178.2	173	-164.8	-4.4	111.7	W76 F98 D99 V100 L105 M106 V113 I248 P249	W76-R102 HydrophobicContact CH2-CB 4.29Å; W76-R102 HydrophobicContact CZ3-CB 3.91Å; F98-R102 WeakPolarHBondContact O-CB 3.48Å; F98-R102 PolarHBondContact O-N 2.86Å; D99-R102 PolarHBondContact O-N 3.43Å; V100-R102 VanDerWaalsContact C-N 3.33Å; V100-R102 PolarHBondContact O-N 3.37Å; R102-L105 PolarHBondContact O-N 3.29Å; R102-M106 HydrophobicContact CG-CG 4.43Å; R102-M106 HydrophobicContact CG-SD 3.58Å; R102-M106 VanDerWaalsContact CG-SD 3.58Å; R102-M106 WeakPolarHBondContact O-CB 3.21Å; R102-M106 VanDerWaalsContact O-CG 3.27Å; R102-M106 WeakPolarHBondContact O-CG 3.47Å; R102-M106 PolarHBondContact O-N 3.35Å; R102-V113 HydrophobicContact CG-CG1 4.43Å; R102-I248 PolarHBondContact NH1-O 3.17Å; R102-P249 PolarHBondContact NH1-O 2.8Å; R102-P249 PolarHBondContact NH2-O 3.16Å
103	R	98.3	Very high	97.7	Very high	15 Å²	15	21.3 Å²	21.3	6%	0.057	11%	0.105	C	C	.	.	H	α-helix	trans	-65.1	-39.2	176.1	-70.1	165.6	175.9	-88.1	11.7	112.2	D99 V100 I101 M106 D107 N246 I248 I572	D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 VanDerWaalsContact O-CG 3.24Å; D99-R103 WeakPolarHBondContact O-CG 3.31Å; D99-R103 PolarHBondContact O-N 3.49Å; D99-R103 IonicContact OD1-NE 3.12Å; D99-R103 PolarHBondContact OD1-NE 2.86Å; D99-R103 WeakPolarHBondContact OD2-CD 3.45Å; D99-R103 IonicContact OD2-CZ 3.41Å; D99-R103 IonicContact OD2-NE 2.7Å; D99-R103 PolarHBondContact OD2-NE 3.43Å; D99-R103 IonicContact OD2-NH2 2.68Å; V100-R103 PolarHBondContact O-N 3.44Å; I101-R103 PolarHBondContact O-N 2.95Å; R103-M106 PolarHBondContact O-N 3.4Å; R103-D107 WeakPolarHBondContact O-CA 3.2Å; R103-D107 WeakPolarHBondContact O-CB 3.45Å; R103-D107 PolarHBondContact O-N 3.34Å; R103-N246 PolarHBondContact NH2-O 3.43Å; R103-N246 PolarHBondContact NH2-OD1 2.95Å; R103-I248 HydrophobicContact CG-CD1 3.66Å; R103-I248 VanDerWaalsContact CZ-CG1 3.4Å; R103-I248 VanDerWaalsContact NH2-CG1 3.32Å; R103-I572 HydrophobicContact CB-CG2 4.38Å; R103-I572 WeakPolarHBondContact CB-O 3.23Å; R103-I572 WeakPolarHBondContact CD-O 3.44Å
104	V	98.6	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-61.9	-44.8	173.8	168.6	0	0	0	0	111	V100 I101 Y108 F109 L518 I572 F573	V100-V104 WeakPolarHBondContact O-CG2 3.4Å; V100-V104 PolarHBondContact O-N 3.13Å; I101-V104 PolarHBondContact O-N 3.19Å; V104-Y108 VanDerWaalsContact O-CB 3.26Å; V104-Y108 WeakPolarHBondContact O-CB 3.47Å; V104-Y108 PolarHBondContact O-N 2.86Å; V104-F109 HydrophobicContact CG1-CD2 3.64Å; V104-F109 HydrophobicContact CG1-CE2 3.54Å; V104-F109 PolarHBondContact O-N 3.32Å; V104-L518 HydrophobicContact CG1-CD2 4.18Å; V104-L518 HydrophobicContact CG2-CD2 4.06Å; V104-I572 HydrophobicContact CG2-CG2 4.43Å; V104-F573 HydrophobicContact CG2-CD1 4.06Å; V104-F573 HydrophobicContact CG2-CE1 3.62Å
105	L	98.4	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-62	-47.9	175.5	-66.3	-176.5	0	0	0	111.6	L53 F66 W76 I101 R102 F109 N110 F111 V113 I374	L53-L105 HydrophobicContact CD2-CD2 3.41Å; L53-L105 VanDerWaalsContact CD2-CD2 3.41Å; F66-L105 HydrophobicContact CE1-CD2 4.28Å; W76-L105 HydrophobicContact CE3-CD1 4.18Å; W76-L105 HydrophobicContact CZ3-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CD1 4.45Å; I101-L105 HydrophobicContact CG2-CG 4.46Å; I101-L105 WeakPolarHBondContact O-CG 3.47Å; I101-L105 PolarHBondContact O-N 3.22Å; R102-L105 PolarHBondContact O-N 3.29Å; L105-F109 CarbonylContact O-C 3.47Å; L105-N110 PolarHBondContact O-N 3.12Å; L105-N110 VanDerWaalsContact O-N 3.12Å; L105-F111 HydrophobicContact CB-CB 4.28Å; L105-F111 HydrophobicContact CB-CD2 4.13Å; L105-F111 HydrophobicContact CD2-CD2 3.9Å; L105-F111 HydrophobicContact CD2-CE2 4.09Å; L105-F111 WeakPolarHBondContact O-CB 3.42Å; L105-F111 WeakPolarHBondContact O-CD2 3.43Å; L105-F111 PolarHBondContact O-N 3.39Å; L105-V113 HydrophobicContact CB-CG2 4.1Å; L105-I374 HydrophobicContact CD1-CD1 4.11Å
106	M	97.8	Very high	97.9	Very high	51 Å²	51	21.7 Å²	21.7	25%	0.251	11%	0.108	S	C	.	.	I	π-helix	trans	-73.1	-54.9	-174.9	-70.1	173.2	52.9	0	0	113.1	R102 R103 N110 F111 V113	R102-M106 HydrophobicContact CG-CG 4.43Å; R102-M106 HydrophobicContact CG-SD 3.58Å; R102-M106 VanDerWaalsContact CG-SD 3.58Å; R102-M106 WeakPolarHBondContact O-CB 3.21Å; R102-M106 VanDerWaalsContact O-CG 3.27Å; R102-M106 WeakPolarHBondContact O-CG 3.47Å; R102-M106 PolarHBondContact O-N 3.35Å; R103-M106 PolarHBondContact O-N 3.4Å; M106-N110 VanDerWaalsContact O-CA 3.25Å; M106-N110 WeakPolarHBondContact O-CA 3.39Å; M106-N110 PolarHBondContact O-N 3.4Å; M106-F111 WeakPolarHBondContact CA-O 3.3Å; M106-V113 HydrophobicContact CG-CB 3.83Å; M106-V113 HydrophobicContact CG-CG2 3.48Å; M106-V113 VanDerWaalsContact CG-CG2 3.48Å; M106-V113 HydrophobicContact SD-CB 3.98Å; M106-V113 HydrophobicContact SD-CG2 4.25Å
107	D	96.2	Very high	97.9	Very high	71 Å²	71	22 Å²	22	38%	0.38	11%	0.109	S	C	.	.	I	π-helix	trans	-98.1	-22.8	-164.3	-56.2	-39.6	0	0	0	113.1	R103 I572	R103-D107 WeakPolarHBondContact O-CA 3.2Å; R103-D107 WeakPolarHBondContact O-CB 3.45Å; R103-D107 PolarHBondContact O-N 3.34Å; D107-I572 HydrophobicContact CB-CD1 4.38Å; D107-I572 HydrophobicContact CB-CG1 3.93Å; D107-I572 HydrophobicContact CB-CG2 4.26Å
108	Y	97.2	Very high	97.9	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.012	11%	0.107	C	C	.	.	I	π-helix	trans	-97	-51.5	174.4	-166.2	-91	0	0	0	111.5	V104 Y515 L518 L569 I572 P586 V587	V104-Y108 VanDerWaalsContact O-CB 3.26Å; V104-Y108 WeakPolarHBondContact O-CB 3.47Å; V104-Y108 PolarHBondContact O-N 2.86Å; Y108-Y515 AromaticContact CE1-CD2 3.87Å; Y108-Y515 HydrophobicContact CE1-CD2 3.87Å; Y108-Y515 WeakPolarHBondContact OH-CA 3.46Å; Y108-Y515 WeakPolarHBondContact OH-CB 3.25Å; Y108-L518 HydrophobicContact CD1-CD1 3.77Å; Y108-L518 HydrophobicContact CD2-CD1 3.82Å; Y108-L518 HydrophobicContact CE1-CB 4.38Å; Y108-L518 HydrophobicContact CE1-CD1 3.64Å; Y108-L518 HydrophobicContact CE2-CD1 3.7Å; Y108-L518 HydrophobicContact CG-CD1 3.86Å; Y108-L569 HydrophobicContact CE2-CD1 4.4Å; Y108-I572 HydrophobicContact CD2-CD1 3.96Å; Y108-P586 HydrophobicContact CD2-CG 3.95Å; Y108-P586 HydrophobicContact CE2-CG 3.92Å; Y108-V587 HydrophobicContact CD1-CG2 3.99Å; Y108-V587 HydrophobicContact CD2-CG2 3.81Å; Y108-V587 HydrophobicContact CE1-CG2 3.9Å; Y108-V587 HydrophobicContact CE2-CG2 3.7Å; Y108-V587 HydrophobicContact CG-CG2 3.94Å; Y108-V587 VanDerWaalsContact O-CG2 3.31Å; Y108-V587 WeakPolarHBondContact O-CG2 3.37Å
109	F	97.1	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-93.6	-0.6	-177.6	-68.3	-63.8	0	0	0	114.8	P51 L53 V104 L105 F111 Y515 L518 I593 A594	P51-F109 HydrophobicContact CB-CD1 3.81Å; P51-F109 HydrophobicContact CB-CE1 4.01Å; P51-F109 HydrophobicContact CG-CB 4.45Å; P51-F109 HydrophobicContact CG-CD1 3.9Å; P51-F109 HydrophobicContact CG-CE1 4.49Å; P51-F109 HydrophobicContact CG-CG 4.33Å; L53-F109 HydrophobicContact CD1-CD2 4.5Å; L53-F109 HydrophobicContact CD1-CE2 3.85Å; L53-F109 HydrophobicContact CD1-CZ 4.21Å; L53-F109 HydrophobicContact CD2-CD2 4.03Å; L53-F109 HydrophobicContact CD2-CE2 4.2Å; V104-F109 HydrophobicContact CG1-CD2 3.64Å; V104-F109 HydrophobicContact CG1-CE2 3.54Å; V104-F109 PolarHBondContact O-N 3.32Å; L105-F109 CarbonylContact O-C 3.47Å; F109-F111 VanDerWaalsContact C-N 3.31Å; F109-F111 HydrophobicContact CB-CD2 3.62Å; F109-F111 HydrophobicContact CB-CE2 3.64Å; F109-F111 HydrophobicContact CG-CE2 4.42Å; F109-F111 PolarHBondContact O-N 3.41Å; F109-Y515 HydrophobicContact CE1-CD2 4.3Å; F109-Y515 AromaticContact CE1-CE2 3.82Å; F109-Y515 HydrophobicContact CE1-CE2 3.82Å; F109-L518 HydrophobicContact CE2-CB 4.05Å; F109-L518 HydrophobicContact CZ-CB 3.9Å; F109-I593 HydrophobicContact CD1-CG2 4.49Å; F109-A594 WeakPolarHBondContact O-CA 3.33Å; F109-A594 WeakPolarHBondContact O-CB 3.49Å; F109-A594 PolarHBondContact O-N 3.11Å
110	N	95.4	Very high	97.9	Very high	77 Å²	77	21.5 Å²	21.5	41%	0.412	11%	0.106	S	C	.	.			trans	62.4	30.2	173.7	-163.4	33.3	0	0	0	115	R72 L105 M106 I593 A594	R72-N110 PolarHBondContact NH1-ND2 2.89Å; L105-N110 PolarHBondContact O-N 3.12Å; L105-N110 VanDerWaalsContact O-N 3.12Å; M106-N110 VanDerWaalsContact O-CA 3.25Å; M106-N110 WeakPolarHBondContact O-CA 3.39Å; M106-N110 PolarHBondContact O-N 3.4Å; N110-I593 HydrophobicContact CB-CD1 4Å; N110-A594 PolarHBondContact ND2-O 2.89Å
111	F	96.7	Very high	97.8	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.031	11%	0.105	C	C	.	.			trans	-77.3	144.5	169.8	-71	-79.3	0	0	0	111	L50 P51 L53 F66 P68 V74 L105 M106 F109 V113 A594	L50-F111 HydrophobicContact CD2-CE1 3.91Å; L50-F111 HydrophobicContact CD2-CZ 4.37Å; P51-F111 HydrophobicContact CG-CE2 3.87Å; P51-F111 HydrophobicContact CG-CZ 3.84Å; L53-F111 HydrophobicContact CD2-CE2 4.02Å; F66-F111 HydrophobicContact CD1-CE2 4.5Å; F66-F111 HydrophobicContact CD1-CZ 4.15Å; F66-F111 HydrophobicContact CE1-CE1 4.24Å; F66-F111 HydrophobicContact CE1-CE2 4.4Å; F66-F111 HydrophobicContact CE1-CZ 4.11Å; P68-F111 HydrophobicContact CG-CD1 4.03Å; P68-F111 HydrophobicContact CG-CE1 3.65Å; V74-F111 HydrophobicContact CG2-CB 3.98Å; V74-F111 HydrophobicContact CG2-CD1 3.84Å; V74-F111 HydrophobicContact CG2-CG 4.06Å; L105-F111 HydrophobicContact CB-CB 4.28Å; L105-F111 HydrophobicContact CB-CD2 4.13Å; L105-F111 HydrophobicContact CD2-CD2 3.9Å; L105-F111 HydrophobicContact CD2-CE2 4.09Å; L105-F111 WeakPolarHBondContact O-CB 3.42Å; L105-F111 WeakPolarHBondContact O-CD2 3.43Å; L105-F111 PolarHBondContact O-N 3.39Å; M106-F111 WeakPolarHBondContact CA-O 3.3Å; F109-F111 VanDerWaalsContact C-N 3.31Å; F109-F111 HydrophobicContact CB-CD2 3.62Å; F109-F111 HydrophobicContact CB-CE2 3.64Å; F109-F111 HydrophobicContact CG-CE2 4.42Å; F109-F111 PolarHBondContact O-N 3.41Å; F111-V113 HydrophobicContact CB-CG2 4.37Å; F111-A594 HydrophobicContact CD1-CB 3.74Å; F111-A594 HydrophobicContact CD2-CB 4.23Å; F111-A594 HydrophobicContact CE1-CB 3.76Å; F111-A594 HydrophobicContact CE2-CB 4.26Å; F111-A594 HydrophobicContact CG-CB 3.98Å; F111-A594 HydrophobicContact CZ-CB 4.04Å
112	K	96.8	Very high	97.7	Very high	137 Å²	137	21.5 Å²	21.5	60%	0.596	11%	0.106	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.4	167.6	179.5	-173.9	176.5	-169.1	0	107.8	R72 H73 V74	R72-K112 PolarHBondContact O-N 3.5Å; H73-K112 CarbonylContact C-O 3.6Å; H73-K112 VanDerWaalsContact CA-O 3.28Å; H73-K112 WeakPolarHBondContact CA-O 3.37Å; H73-K112 PolarHBondContact CD2-O 3.17Å; V74-K112 PolarHBondContact N-O 2.96Å
113	V	98.4	Very high	97.4	Very high	13 Å²	13	21.6 Å²	21.6	8%	0.079	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.3	-178.8	-176.6	0	0	0	0	110.5	V74 W76 R102 L105 M106 F111	V74-V113 HydrophobicContact CB-CG2 4.13Å; V74-V113 HydrophobicContact CG2-CG2 4.47Å; W76-V113 HydrophobicContact CB-CG1 4.26Å; W76-V113 HydrophobicContact CE3-CG1 4.13Å; R102-V113 HydrophobicContact CG-CG1 4.43Å; L105-V113 HydrophobicContact CB-CG2 4.1Å; M106-V113 HydrophobicContact CG-CB 3.83Å; M106-V113 HydrophobicContact CG-CG2 3.48Å; M106-V113 VanDerWaalsContact CG-CG2 3.48Å; M106-V113 HydrophobicContact SD-CB 3.98Å; M106-V113 HydrophobicContact SD-CG2 4.25Å; F111-V113 HydrophobicContact CB-CG2 4.37Å
114	T	98.6	Very high	97.1	Very high	33 Å²	33	21.3 Å²	21.3	20%	0.202	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	104.6	162	-63.9	0	0	0	0	107.9	H73 V74 W76 V116 L368	H73-T114 WeakPolarHBondContact NE2-CB 3.45Å; H73-T114 PolarHBondContact NE2-OG1 3.41Å; V74-T114 PolarHBondContact O-N 2.95Å; W76-T114 PolarHBondContact N-O 3.43Å; T114-V116 HydrophobicContact CG2-CG2 4.46Å; T114-L368 HydrophobicContact CG2-CD2 4.19Å
115	Y	98.7	Very high	96.9	Very high	13 Å²	13	26.7 Å²	26.7	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.4	-174.6	-174.5	-95	0	0	0	110.2	W76 T78 L117 P250 S251 V252	W76-Y115 HydrophobicContact CB-CD2 4.13Å; W76-Y115 AromaticContact CD1-CD2 3.98Å; W76-Y115 AromaticContact CD1-CE2 3.93Å; W76-Y115 AromaticContact CD2-CD2 3.66Å; W76-Y115 HydrophobicContact CD2-CD2 3.66Å; W76-Y115 AromaticContact CD2-CE2 3.84Å; W76-Y115 HydrophobicContact CD2-CE2 3.84Å; W76-Y115 AromaticContact CE2-CD2 3.98Å; W76-Y115 AromaticContact CE2-CE2 3.63Å; W76-Y115 HydrophobicContact CE3-CD2 4.15Å; W76-Y115 AromaticContact CG-CD2 3.65Å; W76-Y115 HydrophobicContact CG-CD2 3.65Å; W76-Y115 HydrophobicContact CG-CE2 4.01Å; W76-Y115 HydrophobicContact CZ2-CE2 4.11Å; W76-Y115 AromaticContact NE1-CE2 3.65Å; W76-Y115 CarbonylContact O-C 3.6Å; W76-Y115 WeakPolarHBondContact O-CA 3.35Å; T78-Y115 WeakPolarHBondContact CB-OH 3.19Å; T78-Y115 WeakPolarHBondContact CG2-OH 3.43Å; T78-Y115 WeakPolarHBondContact OG1-CE2 3.5Å; T78-Y115 PolarHBondContact OG1-OH 3.5Å; Y115-L117 HydrophobicContact CE1-CB 4.24Å; Y115-P250 HydrophobicContact CD1-CB 3.68Å; Y115-P250 HydrophobicContact CE1-CB 4.12Å; Y115-S251 PolarHBondContact N-OG 3.17Å; Y115-S251 WeakPolarHBondContact O-CA 3.37Å; Y115-S251 VanDerWaalsContact O-CB 3.29Å; Y115-S251 WeakPolarHBondContact O-CB 3.45Å; Y115-S251 PolarHBondContact O-N 2.89Å; Y115-V252 PolarHBondContact O-N 2.89Å
116	V	98.8	Very high	96.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.7	-179.8	-176.3	0	0	0	0	108.8	W76 Y77 T78 T114 V252 V254 I367 L368	W76-V116 PolarHBondContact O-N 3.42Å; Y77-V116 WeakPolarHBondContact CA-O 3.42Å; Y77-V116 HydrophobicContact CD2-CB 3.82Å; Y77-V116 HydrophobicContact CD2-CG1 3.62Å; Y77-V116 HydrophobicContact CE2-CB 4.48Å; Y77-V116 HydrophobicContact CE2-CG1 3.81Å; T78-V116 PolarHBondContact N-O 2.98Å; T114-V116 HydrophobicContact CG2-CG2 4.46Å; V116-V252 WeakPolarHBondContact CA-O 3.48Å; V116-V252 HydrophobicContact CG1-CB 4.45Å; V116-V252 HydrophobicContact CG2-CB 4.26Å; V116-V252 HydrophobicContact CG2-CG2 4.45Å; V116-V254 HydrophobicContact CG1-CG2 4.22Å; V116-I367 HydrophobicContact CG1-CD1 3.7Å; V116-I367 HydrophobicContact CG2-CB 4.37Å; V116-I367 HydrophobicContact CG2-CD1 4.48Å; V116-I367 HydrophobicContact CG2-CG2 3.7Å; V116-L368 HydrophobicContact CG2-CD1 4.22Å; V116-L368 HydrophobicContact CG2-CD2 3.83Å; V116-L368 HydrophobicContact CG2-CG 4.07Å
117	L	98.5	Very high	96.6	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.1	176.7	-177.2	77.9	0	0	0	108.4	T78 Y95 Y115 Y238 P250 V252 L253 V254	T78-L117 HydrophobicContact CG2-CD1 3.92Å; Y95-L117 HydrophobicContact CE1-CD1 4.08Å; Y115-L117 HydrophobicContact CE1-CB 4.24Å; L117-Y238 HydrophobicContact CD2-CE1 4.38Å; L117-P250 HydrophobicContact CB-CB 3.77Å; L117-P250 HydrophobicContact CB-CG 4.02Å; L117-P250 HydrophobicContact CD2-CG 4.3Å; L117-V252 PolarHBondContact N-O 3.15Å; L117-L253 HydrophobicContact CB-CD1 4.21Å; L117-L253 HydrophobicContact CD2-CD1 3.85Å; L117-L253 HydrophobicContact CG-CD1 4.23Å; L117-L253 WeakPolarHBondContact O-CA 3.41Å; L117-V254 PolarHBondContact O-N 3.17Å
118	N	98.3	Very high	96.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	162	170.2	68.3	-50.4	0	0	0	112.8	Y77 T78 C79 G80 V254 M363	Y77-N118 VanDerWaalsContact OH-CB 3.29Å; Y77-N118 WeakPolarHBondContact OH-CB 3.37Å; Y77-N118 PolarHBondContact OH-OD1 3.21Å; T78-N118 PolarHBondContact O-OD1 2.95Å; C79-N118 VanDerWaalsContact CA-OD1 3.3Å; C79-N118 WeakPolarHBondContact CA-OD1 3.17Å; G80-N118 WeakPolarHBondContact CA-O 3.47Å; G80-N118 PolarHBondContact N-OD1 3.33Å; N118-V254 CarbonylContact C-O 3.52Å; N118-V254 VanDerWaalsContact CA-O 3.24Å; N118-V254 WeakPolarHBondContact CA-O 3.41Å; N118-V254 HydrophobicContact CB-CG2 3.91Å; N118-M363 HydrophobicContact CB-CE 3.42Å; N118-M363 VanDerWaalsContact CB-CE 3.42Å; N118-M363 HydrophobicContact CB-SD 3.75Å
119	I	98.4	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.5	163.1	-60	-63.9	0	0	0	106.2	P81 V83 D121 E235 Y238 L253 V254 R255 V256	P81-I119 HydrophobicContact CG-CD1 3.92Å; V83-I119 HydrophobicContact CB-CG2 4.33Å; V83-I119 HydrophobicContact CG1-CG2 3.7Å; V83-I119 HydrophobicContact CG2-CG2 3.62Å; I119-D121 HydrophobicContact CG2-CB 4.24Å; I119-D121 PolarHBondContact O-N 3.07Å; I119-D121 VanDerWaalsContact O-N 3.12Å; I119-E235 HydrophobicContact CD1-CG 4.46Å; I119-E235 HydrophobicContact CG1-CG 4.28Å; I119-E235 HydrophobicContact CG2-CG 4.25Å; I119-Y238 HydrophobicContact CD1-CD1 4.11Å; I119-Y238 HydrophobicContact CD1-CE1 3.99Å; I119-L253 HydrophobicContact CD1-CD1 4.04Å; I119-L253 HydrophobicContact CG1-CD1 3.84Å; I119-L253 HydrophobicContact CG1-CD2 4.38Å; I119-L253 HydrophobicContact CG1-CG 4.18Å; I119-V254 PolarHBondContact N-O 3.19Å; I119-R255 HydrophobicContact CB-CG 4.01Å; I119-V256 PolarHBondContact O-N 3.17Å
120	T	97.6	Very high	96.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-80.1	93.5	169.5	-63.1	0	0	0	0	107.5	P81 T82 V83 I122 D123 I126 E359	P81-T120 PolarHBondContact O-N 3.2Å; T82-T120 WeakPolarHBondContact CA-O 3.25Å; T82-T120 HydrophobicContact CG2-CG2 3.98Å; V83-T120 WeakPolarHBondContact CG2-O 3.28Å; V83-T120 PolarHBondContact N-O 2.93Å; V83-T120 VanDerWaalsContact N-O 3.15Å; T120-I122 VanDerWaalsContact CG2-O 3.28Å; T120-I122 WeakPolarHBondContact CG2-O 3.36Å; T120-D123 HydrophobicContact CG2-CB 4.01Å; T120-I126 WeakPolarHBondContact O-CD1 3.39Å; T120-E359 WeakPolarHBondContact CG2-OE2 3.45Å; T120-E359 PolarHBondContact OG1-OE2 3.31Å
121	D	97.3	Very high	96.3	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.032	10%	0.103	C	C	.	.			trans	-95.5	3.1	179.7	64.4	-26.2	0	0	0	113.3	V83 I119 A231 V256 T257	V83-D121 HydrophobicContact CG2-CB 4.18Å; I119-D121 HydrophobicContact CG2-CB 4.24Å; I119-D121 PolarHBondContact O-N 3.07Å; I119-D121 VanDerWaalsContact O-N 3.12Å; D121-A231 HydrophobicContact CB-CB 3.84Å; D121-A231 WeakPolarHBondContact O-CB 3.49Å; D121-V256 WeakPolarHBondContact OD1-CA 3.44Å; D121-V256 WeakPolarHBondContact OD1-CB 3.42Å; D121-V256 PolarHBondContact OD1-N 3.38Å; D121-T257 PolarHBondContact OD1-N 3.48Å; D121-T257 WeakPolarHBondContact OD2-CB 3.16Å; D121-T257 WeakPolarHBondContact OD2-CG2 3.23Å; D121-T257 PolarHBondContact OD2-OG1 3.08Å
122	I	95.4	Very high	96.2	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	11%	0.106	C	C	.	.			trans	-137.9	123.6	167.1	-179.1	60	0	0	0	110.4	T120 I127 V256 T257 P343 W345 P354	T120-I122 VanDerWaalsContact CG2-O 3.28Å; T120-I122 WeakPolarHBondContact CG2-O 3.36Å; I122-I127 HydrophobicContact CD1-CD1 3.94Å; I122-I127 HydrophobicContact CD1-CG1 3.77Å; I122-V256 HydrophobicContact CG2-CB 3.85Å; I122-V256 HydrophobicContact CG2-CG1 3.42Å; I122-V256 VanDerWaalsContact CG2-CG1 3.42Å; I122-T257 HydrophobicContact CB-CG2 4.17Å; I122-T257 HydrophobicContact CG2-CG2 4.11Å; I122-P343 HydrophobicContact CD1-CB 4.44Å; I122-P343 HydrophobicContact CD1-CG 3.32Å; I122-P343 HydrophobicContact CG1-CG 4.43Å; I122-W345 HydrophobicContact CB-CH2 4.46Å; I122-W345 HydrophobicContact CD1-CH2 4.43Å; I122-W345 HydrophobicContact CG1-CH2 4.07Å; I122-W345 HydrophobicContact CG1-CZ3 4.17Å; I122-P354 HydrophobicContact CG2-CG 4.29Å
123	D	93.9	Very high	96.1	Very high	15 Å²	15	18.3 Å²	18.3	8%	0.08	9%	0.085	C	C	.	.	S	Bend	trans	-162.9	163.1	177	177.4	56	0	0	0	109.6	T82 T120 K125 I126 I127	T82-D123 HydrophobicContact CG2-CB 3.6Å; T120-D123 HydrophobicContact CG2-CB 4.01Å; D123-K125 PolarHBondContact O-N 3.42Å; D123-K125 VanDerWaalsContact OD2-CB 3.31Å; D123-K125 WeakPolarHBondContact OD2-CB 3.35Å; D123-K125 WeakPolarHBondContact OD2-CG 3.24Å; D123-K125 PolarHBondContact OD2-N 3.2Å; D123-I126 HydrophobicContact CB-CD1 4.38Å; D123-I126 HydrophobicContact CB-CG1 4.41Å; D123-I126 WeakPolarHBondContact O-CB 3.37Å; D123-I126 PolarHBondContact O-N 2.92Å; D123-I127 VanDerWaalsContact O-CG1 3.3Å; D123-I127 WeakPolarHBondContact O-CG1 3.45Å; D123-I127 PolarHBondContact O-N 3.21Å
124	D	92.2	Very high	96	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.043	9%	0.094	C	C	.	.	H	α-helix	trans	-51.9	-39.2	174.9	-69	19.2	0	0	0	112	K128 G318 E319 L320 K336 R353	D124-K128 WeakPolarHBondContact O-CB 3.07Å; D124-K128 PolarHBondContact O-N 2.87Å; D124-G318 WeakPolarHBondContact OD2-CA 3.4Å; D124-E319 PolarHBondContact OD2-N 3.23Å; D124-L320 HydrophobicContact CB-CD1 4.15Å; D124-L320 HydrophobicContact CB-CG 4.16Å; D124-L320 WeakPolarHBondContact OD2-CB 3.44Å; D124-L320 PolarHBondContact OD2-N 3.02Å; D124-K336 IonicContact OD1-NZ 3.49Å; D124-K336 PolarHBondContact OD1-NZ 2.86Å; D124-K336 IonicContact OD2-NZ 3.66Å; D124-R353 IonicContact OD1-CZ 3.15Å; D124-R353 IonicContact OD1-NH1 3.81Å; D124-R353 PolarHBondContact OD1-NH1 3.16Å; D124-R353 IonicContact OD1-NH2 3.88Å; D124-R353 PolarHBondContact OD1-NH2 3.41Å
125	K	92.5	Very high	95.9	Very high	114 Å²	114	19.5 Å²	19.5	50%	0.496	9%	0.088	S	C	.	.	H	α-helix	trans	-66.6	-39.7	177.5	-65.5	172.5	-174.1	164.4	0	112.2	Y84 D123 R129	Y84-K125 HydrophobicContact CD1-CB 3.98Å; Y84-K125 HydrophobicContact CD1-CD 4.1Å; Y84-K125 HydrophobicContact CD2-CB 4.21Å; Y84-K125 HydrophobicContact CE1-CB 4.47Å; Y84-K125 HydrophobicContact CE1-CD 3.79Å; Y84-K125 HydrophobicContact CG-CB 3.85Å; D123-K125 PolarHBondContact O-N 3.42Å; D123-K125 VanDerWaalsContact OD2-CB 3.31Å; D123-K125 WeakPolarHBondContact OD2-CB 3.35Å; D123-K125 WeakPolarHBondContact OD2-CG 3.24Å; D123-K125 PolarHBondContact OD2-N 3.2Å; K125-R129 WeakPolarHBondContact O-CB 3.02Å; K125-R129 PolarHBondContact O-N 3.23Å
126	I	95	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-48.1	177.7	-66.6	175.2	0	0	0	109.5	T82 V83 T120 D123 K128 R129 A130 L230 A231	T82-I126 HydrophobicContact CG2-CD1 3.91Å; T82-I126 HydrophobicContact CG2-CG1 4.07Å; V83-I126 HydrophobicContact CG2-CD1 4.27Å; T120-I126 WeakPolarHBondContact O-CD1 3.39Å; D123-I126 HydrophobicContact CB-CD1 4.38Å; D123-I126 HydrophobicContact CB-CG1 4.41Å; D123-I126 WeakPolarHBondContact O-CB 3.37Å; D123-I126 PolarHBondContact O-N 2.92Å; I126-K128 PolarHBondContact O-N 3.38Å; I126-R129 PolarHBondContact O-N 2.61Å; I126-A130 WeakPolarHBondContact O-CB 3.48Å; I126-A130 PolarHBondContact O-N 3.15Å; I126-L230 HydrophobicContact CG2-CD2 4.17Å; I126-A231 HydrophobicContact CG2-CB 4.43Å
127	I	95	Very high	95.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.2	-54.2	179.8	-64.9	167.2	0	0	0	110	I122 D123 R129 A130 R131 F227 L320 E342 P343	I122-I127 HydrophobicContact CD1-CD1 3.94Å; I122-I127 HydrophobicContact CD1-CG1 3.77Å; D123-I127 VanDerWaalsContact O-CG1 3.3Å; D123-I127 WeakPolarHBondContact O-CG1 3.45Å; D123-I127 PolarHBondContact O-N 3.21Å; I127-R129 PolarHBondContact O-N 3.45Å; I127-A130 PolarHBondContact O-N 3.04Å; I127-R131 WeakPolarHBondContact O-CG 3.17Å; I127-R131 PolarHBondContact O-N 3.33Å; I127-R131 VanDerWaalsContact O-N 3.12Å; I127-F227 HydrophobicContact CB-CD1 4.41Å; I127-F227 HydrophobicContact CB-CE1 4.27Å; I127-F227 HydrophobicContact CG1-CD1 4.4Å; I127-F227 HydrophobicContact CG2-CD1 4.43Å; I127-F227 HydrophobicContact CG2-CE1 3.81Å; I127-L320 HydrophobicContact CB-CD1 4.17Å; I127-L320 HydrophobicContact CD1-CD1 4.2Å; I127-L320 HydrophobicContact CG2-CD1 3.94Å; I127-E342 HydrophobicContact CD1-CB 4.49Å; I127-E342 HydrophobicContact CG2-CG 4.17Å; I127-P343 HydrophobicContact CD1-CG 4.19Å; I127-P343 HydrophobicContact CG1-CG 4.01Å
128	K	93.6	Very high	95.3	Very high	42 Å²	42	23.8 Å²	23.8	18%	0.183	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-47.8	-179.5	-171.7	178.1	-173.5	176.9	0	111.5	D124 I126 A130 R131 Q132 E319	D124-K128 WeakPolarHBondContact O-CB 3.07Å; D124-K128 PolarHBondContact O-N 2.87Å; I126-K128 PolarHBondContact O-N 3.38Å; K128-A130 PolarHBondContact O-N 3.48Å; K128-R131 PolarHBondContact O-N 3.36Å; K128-Q132 WeakPolarHBondContact O-CB 3.11Å; K128-Q132 WeakPolarHBondContact O-CG 3.37Å; K128-Q132 PolarHBondContact O-N 3.42Å; K128-E319 IonicContact NZ-OE1 2.76Å; K128-E319 IonicContact NZ-OE2 2.82Å; K128-E319 PolarHBondContact NZ-OE2 2.98Å
129	R	94.4	Very high	95.1	Very high	54 Å²	54	24.6 Å²	24.6	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-37.9	-177.7	-173.5	56.7	166.4	178.5	-1.9	112.6	Y84 K125 I126 I127 Q132 N133 D207 L230	Y84-R129 WeakPolarHBondContact O-CG 3.47Å; K125-R129 WeakPolarHBondContact O-CB 3.02Å; K125-R129 PolarHBondContact O-N 3.23Å; I126-R129 PolarHBondContact O-N 2.61Å; I127-R129 PolarHBondContact O-N 3.45Å; R129-Q132 PolarHBondContact O-N 3.09Å; R129-N133 WeakPolarHBondContact O-CB 3.41Å; R129-N133 PolarHBondContact O-N 3.06Å; R129-D207 IonicContact NH1-OD1 3.57Å; R129-L230 HydrophobicContact CB-CD2 3.89Å; R129-L230 HydrophobicContact CG-CD1 4.25Å; R129-L230 HydrophobicContact CG-CD2 3.94Å
130	A	96.2	Very high	94.8	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-48.4	177.9	0	0	0	0	0	111	I126 I127 K128 N133 H134 I226 F227 L230	I126-A130 WeakPolarHBondContact O-CB 3.48Å; I126-A130 PolarHBondContact O-N 3.15Å; I127-A130 PolarHBondContact O-N 3.04Å; K128-A130 PolarHBondContact O-N 3.48Å; A130-N133 PolarHBondContact O-N 2.89Å; A130-H134 WeakPolarHBondContact O-CB 3.08Å; A130-H134 PolarHBondContact O-N 3.14Å; A130-I226 HydrophobicContact CB-CG2 4.23Å; A130-F227 HydrophobicContact CB-CD1 3.63Å; A130-F227 HydrophobicContact CB-CE1 4.24Å; A130-F227 HydrophobicContact CB-CG 4.42Å; A130-L230 HydrophobicContact CB-CB 4.13Å; A130-L230 HydrophobicContact CB-CD2 4.03Å
131	R	96.2	Very high	94.6	Very high	20 Å²	20	34.6 Å²	34.6	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-48.7	175.2	-67.4	-169	-52.8	-147.4	7.2	111.9	I127 K128 N133 H134 L135 D214 G218 I221 F227 G341	I127-R131 WeakPolarHBondContact O-CG 3.17Å; I127-R131 PolarHBondContact O-N 3.33Å; I127-R131 VanDerWaalsContact O-N 3.12Å; K128-R131 PolarHBondContact O-N 3.36Å; R131-N133 VanDerWaalsContact C-N 3.32Å; R131-N133 PolarHBondContact O-N 3.28Å; R131-H134 PolarHBondContact O-N 2.82Å; R131-L135 HydrophobicContact CB-CD1 4.5Å; R131-L135 VanDerWaalsContact O-CB 3.3Å; R131-L135 WeakPolarHBondContact O-CB 3.49Å; R131-L135 VanDerWaalsContact O-CG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 3.46Å; R131-L135 PolarHBondContact O-N 3.23Å; R131-D214 WeakPolarHBondContact CB-OD1 3.12Å; R131-D214 IonicContact CZ-OD1 3.12Å; R131-D214 IonicContact CZ-OD2 3.33Å; R131-D214 IonicContact NE-OD1 3.04Å; R131-D214 PolarHBondContact NE-OD1 3.44Å; R131-D214 IonicContact NE-OD2 2.95Å; R131-D214 IonicContact NH2-OD1 3.73Å; R131-D214 PolarHBondContact NH2-OD1 3.37Å; R131-D214 IonicContact NH2-OD2 2.87Å; R131-D214 PolarHBondContact NH2-OD2 3.34Å; R131-G218 VanDerWaalsContact CD-O 3.27Å; R131-G218 WeakPolarHBondContact CD-O 3.36Å; R131-I221 HydrophobicContact CG-CB 4.06Å; R131-I221 HydrophobicContact CG-CG1 4.21Å; R131-I221 HydrophobicContact CG-CG2 4.17Å; R131-F227 HydrophobicContact CG-CE1 3.87Å; R131-F227 HydrophobicContact CG-CZ 4.22Å; R131-G341 WeakPolarHBondContact CD-O 3.5Å; R131-G341 PolarHBondContact NH1-O 3.04Å
132	Q	95.2	Very high	94.4	Very high	21 Å²	21	42 Å²	42	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-44.8	179	-76.1	177.7	-16.3	0	0	112.1	K128 R129 I136 A210 D214	K128-Q132 WeakPolarHBondContact O-CB 3.11Å; K128-Q132 WeakPolarHBondContact O-CG 3.37Å; K128-Q132 PolarHBondContact O-N 3.42Å; R129-Q132 PolarHBondContact O-N 3.09Å; Q132-I136 WeakPolarHBondContact O-CB 3.24Å; Q132-I136 WeakPolarHBondContact O-CG1 3.42Å; Q132-I136 PolarHBondContact O-N 2.9Å; Q132-A210 HydrophobicContact CB-CB 3.79Å; Q132-A210 HydrophobicContact CG-CB 3.83Å; Q132-D214 HydrophobicContact CG-CB 3.89Å
133	N	94.7	Very high	94.1	Very high	29 Å²	29	47.1 Å²	47.1	16%	0.155	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-42.1	178.8	-78.3	-16.3	0	0	0	112.4	R129 A130 R131 S137 R206 L230	R129-N133 WeakPolarHBondContact O-CB 3.41Å; R129-N133 PolarHBondContact O-N 3.06Å; A130-N133 PolarHBondContact O-N 2.89Å; R131-N133 VanDerWaalsContact C-N 3.32Å; R131-N133 PolarHBondContact O-N 3.28Å; N133-S137 WeakPolarHBondContact O-CB 3.35Å; N133-S137 PolarHBondContact O-N 3.08Å; N133-S137 PolarHBondContact O-OG 3.01Å; N133-R206 PolarHBondContact OD1-NH2 3.45Å; N133-L230 WeakPolarHBondContact ND2-CD1 3.37Å
134	H	95.6	Very high	94	Very high	58 Å²	58	47.4 Å²	47.4	27%	0.269	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-51.3	176.4	179.8	75	0	0	0	111.3	A130 R131 I136 S137 D138 I221 I226	A130-H134 WeakPolarHBondContact O-CB 3.08Å; A130-H134 PolarHBondContact O-N 3.14Å; R131-H134 PolarHBondContact O-N 2.82Å; H134-I136 VanDerWaalsContact C-N 3.33Å; H134-I136 PolarHBondContact O-N 3.24Å; H134-S137 WeakPolarHBondContact O-CB 3.37Å; H134-S137 PolarHBondContact O-N 3.37Å; H134-S137 VanDerWaalsContact O-N 3.12Å; H134-D138 IonicContact NE2-OD2 3.74Å; H134-D138 PolarHBondContact O-N 3.49Å; H134-I221 VanDerWaalsContact CD2-CD1 3.48Å; H134-I221 WeakPolarHBondContact CD2-CD1 3.26Å; H134-I226 HydrophobicContact CB-CG2 3.86Å
135	L	96.4	Very high	94.1	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-37.3	-179.7	-70.4	169.9	0	0	0	112.8	R131 Y139 L213 D214 I221	R131-L135 HydrophobicContact CB-CD1 4.5Å; R131-L135 VanDerWaalsContact O-CB 3.3Å; R131-L135 WeakPolarHBondContact O-CB 3.49Å; R131-L135 VanDerWaalsContact O-CG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 3.46Å; R131-L135 PolarHBondContact O-N 3.23Å; L135-Y139 VanDerWaalsContact O-CB 3.24Å; L135-Y139 WeakPolarHBondContact O-CB 3.43Å; L135-Y139 PolarHBondContact O-N 3.5Å; L135-L213 HydrophobicContact CB-CB 4.09Å; L135-L213 HydrophobicContact CB-CD1 4.4Å; L135-L213 HydrophobicContact CD1-CB 4.29Å; L135-D214 HydrophobicContact CD1-CB 4.44Å; L135-I221 HydrophobicContact CD2-CD1 4.03Å; L135-I221 HydrophobicContact CD2-CG1 4.44Å; L135-I221 HydrophobicContact CG-CD1 4.46Å; L135-I221 HydrophobicContact CG-CG1 4.47Å
136	I	94.7	Very high	93.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-39.2	174.4	-80	-160.8	0	0	0	112.3	Q132 H134 D138 Y139 Q140 R206 A210 L213	Q132-I136 WeakPolarHBondContact O-CB 3.24Å; Q132-I136 WeakPolarHBondContact O-CG1 3.42Å; Q132-I136 PolarHBondContact O-N 2.9Å; H134-I136 VanDerWaalsContact C-N 3.33Å; H134-I136 PolarHBondContact O-N 3.24Å; I136-D138 VanDerWaalsContact C-N 3.32Å; I136-Y139 WeakPolarHBondContact O-CB 3.37Å; I136-Y139 PolarHBondContact O-N 3.27Å; I136-Q140 HydrophobicContact CG2-CG 4.49Å; I136-Q140 WeakPolarHBondContact O-CG 3.26Å; I136-Q140 PolarHBondContact O-N 3.06Å; I136-R206 HydrophobicContact CD1-CB 4.33Å; I136-R206 HydrophobicContact CD1-CG 3.33Å; I136-R206 WeakPolarHBondContact CD1-O 3.4Å; I136-R206 HydrophobicContact CG2-CG 4.39Å; I136-A210 HydrophobicContact CD1-CB 3.44Å; I136-A210 VanDerWaalsContact CD1-CB 3.44Å; I136-A210 HydrophobicContact CG1-CB 3.93Å; I136-L213 HydrophobicContact CG1-CD1 4.18Å
137	S	94.1	Very high	93.8	Very high	55 Å²	55	51.9 Å²	51.9	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-45.5	177	-55.9	0	0	0	0	110.1	N133 H134 Y139 Q140 L141	N133-S137 WeakPolarHBondContact O-CB 3.35Å; N133-S137 PolarHBondContact O-N 3.08Å; N133-S137 PolarHBondContact O-OG 3.01Å; H134-S137 WeakPolarHBondContact O-CB 3.37Å; H134-S137 PolarHBondContact O-N 3.37Å; H134-S137 VanDerWaalsContact O-N 3.12Å; S137-Y139 VanDerWaalsContact C-N 3.35Å; S137-Y139 PolarHBondContact O-N 2.94Å; S137-Q140 PolarHBondContact O-N 3.45Å; S137-L141 VanDerWaalsContact O-CG 3.29Å; S137-L141 WeakPolarHBondContact O-CG 3.18Å; S137-L141 PolarHBondContact O-N 3.43Å
138	D	94.5	Very high	93.8	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-40.6	173.7	-80.1	8	0	0	0	112.8	H134 I136 L141 K142	H134-D138 IonicContact NE2-OD2 3.74Å; H134-D138 PolarHBondContact O-N 3.49Å; I136-D138 VanDerWaalsContact C-N 3.32Å; D138-L141 PolarHBondContact O-N 2.86Å; D138-K142 WeakPolarHBondContact O-CB 3.43Å; D138-K142 VanDerWaalsContact O-CG 3.26Å; D138-K142 WeakPolarHBondContact O-CG 3.46Å; D138-K142 PolarHBondContact O-N 3.4Å
139	Y	94.6	Very high	93.8	Very high	18 Å²	18	52.7 Å²	52.7	7%	0.071	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-45.1	177	-169.2	-100.6	0	0	0	110.9	L135 I136 S137 K142 N143 P144 V149 D152 I202 I209 L213	L135-Y139 VanDerWaalsContact O-CB 3.24Å; L135-Y139 WeakPolarHBondContact O-CB 3.43Å; L135-Y139 PolarHBondContact O-N 3.5Å; I136-Y139 WeakPolarHBondContact O-CB 3.37Å; I136-Y139 PolarHBondContact O-N 3.27Å; S137-Y139 VanDerWaalsContact C-N 3.35Å; S137-Y139 PolarHBondContact O-N 2.94Å; Y139-K142 PolarHBondContact O-N 3.45Å; Y139-N143 PolarHBondContact O-N 3.4Å; Y139-P144 HydrophobicContact CD1-CG 3.77Å; Y139-P144 HydrophobicContact CD2-CG 4.34Å; Y139-P144 HydrophobicContact CE1-CB 4.38Å; Y139-P144 HydrophobicContact CE1-CG 3.4Å; Y139-P144 HydrophobicContact CE2-CB 4.33Å; Y139-P144 HydrophobicContact CE2-CG 4.04Å; Y139-P144 HydrophobicContact CG-CG 4.24Å; Y139-P144 WeakPolarHBondContact O-CD 3.49Å; Y139-V149 HydrophobicContact CE1-CG2 4.07Å; Y139-V149 WeakPolarHBondContact OH-CA 3.44Å; Y139-D152 WeakPolarHBondContact CE2-OD2 3.46Å; Y139-D152 PolarHBondContact OH-OD2 2.75Å; Y139-I202 HydrophobicContact CD1-CD1 4.09Å; Y139-I202 HydrophobicContact CD1-CG1 4.29Å; Y139-I202 HydrophobicContact CE1-CD1 3.96Å; Y139-I202 HydrophobicContact CE1-CG1 3.96Å; Y139-I209 HydrophobicContact CD1-CG2 4.14Å; Y139-I209 HydrophobicContact CE1-CG2 3.93Å; Y139-L213 HydrophobicContact CD1-CD1 4.48Å; Y139-L213 HydrophobicContact CD2-CD1 3.73Å; Y139-L213 HydrophobicContact CD2-CD2 3.74Å; Y139-L213 HydrophobicContact CD2-CG 4.32Å; Y139-L213 HydrophobicContact CE2-CD1 4.42Å; Y139-L213 HydrophobicContact CE2-CD2 3.97Å; Y139-L213 HydrophobicContact CG-CD1 3.75Å
140	Q	91.7	Very high	93.8	Very high	67 Å²	67	52.9 Å²	52.9	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.7	-74.6	178.4	-42.1	0	0	112.1	I136 S137 K142 N143 I202	I136-Q140 HydrophobicContact CG2-CG 4.49Å; I136-Q140 WeakPolarHBondContact O-CG 3.26Å; I136-Q140 PolarHBondContact O-N 3.06Å; S137-Q140 PolarHBondContact O-N 3.45Å; Q140-K142 VanDerWaalsContact C-N 3.31Å; Q140-K142 PolarHBondContact O-N 3.16Å; Q140-N143 PolarHBondContact O-N 2.88Å; Q140-N143 VanDerWaalsContact O-N 3.11Å; Q140-I202 HydrophobicContact CG-CG2 3.72Å
141	L	93.4	Very high	93.7	Very high	145 Å²	145	54.1 Å²	54.1	76%	0.759	30%	0.296	S	S	*	.	H	α-helix	trans	-64.8	-33.8	178.4	-72.6	171.9	0	0	0	113.1	S137 D138 N143	S137-L141 VanDerWaalsContact O-CG 3.29Å; S137-L141 WeakPolarHBondContact O-CG 3.18Å; S137-L141 PolarHBondContact O-N 3.43Å; D138-L141 PolarHBondContact O-N 2.86Å; L141-N143 PolarHBondContact O-N 3.24Å
142	K	93.2	Very high	93.7	Very high	161 Å²	161	53.8 Å²	53.8	70%	0.7	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.4	175.6	-73.9	168.2	-173.8	167.4	0	113.4	D138 Y139 Q140	D138-K142 WeakPolarHBondContact O-CB 3.43Å; D138-K142 VanDerWaalsContact O-CG 3.26Å; D138-K142 WeakPolarHBondContact O-CG 3.46Å; D138-K142 PolarHBondContact O-N 3.4Å; Y139-K142 PolarHBondContact O-N 3.45Å; Q140-K142 VanDerWaalsContact C-N 3.31Å; Q140-K142 PolarHBondContact O-N 3.16Å
143	N	90.1	Very high	93.8	Very high	112 Å²	112	52.8 Å²	52.8	60%	0.599	29%	0.292	S	S	*	.			trans	47.4	62.5	179.5	-166.8	33.8	0	0	0	113.2	Y139 Q140 L141	Y139-N143 PolarHBondContact O-N 3.4Å; Q140-N143 PolarHBondContact O-N 2.88Å; Q140-N143 VanDerWaalsContact O-N 3.11Å; L141-N143 PolarHBondContact O-N 3.24Å
144	P	91.8	Very high	93.8	Very high	20 Å²	20	54 Å²	54	13%	0.13	30%	0.3	C	S	.	.			trans	-64.1	149.1	-176.4	26	-34.5	0	0	0	111.3	Y139 T148 V149 I202	Y139-P144 HydrophobicContact CD1-CG 3.77Å; Y139-P144 HydrophobicContact CD2-CG 4.34Å; Y139-P144 HydrophobicContact CE1-CB 4.38Å; Y139-P144 HydrophobicContact CE1-CG 3.4Å; Y139-P144 HydrophobicContact CE2-CB 4.33Å; Y139-P144 HydrophobicContact CE2-CG 4.04Å; Y139-P144 HydrophobicContact CG-CG 4.24Å; Y139-P144 WeakPolarHBondContact O-CD 3.49Å; P144-T148 HydrophobicContact CB-CG2 4.11Å; P144-V149 HydrophobicContact CB-CG2 4.3Å; P144-V149 HydrophobicContact CG-CG2 3.91Å; P144-I202 HydrophobicContact CG-CD1 4.17Å
145	D	92.3	Very high	93.9	Very high	91 Å²	91	56.2 Å²	56.2	49%	0.487	31%	0.309	S	S	.	.			trans	-67.9	159.6	175.2	70.3	83.4	0	0	0	111.8	A147 T148 V149	D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.45Å; D145-A147 WeakPolarHBondContact OD1-CA 3.5Å; D145-A147 VanDerWaalsContact OD1-CB 3.26Å; D145-A147 WeakPolarHBondContact OD1-CB 3.41Å; D145-A147 PolarHBondContact OD1-N 2.87Å; D145-T148 WeakPolarHBondContact O-CB 3.36Å; D145-T148 PolarHBondContact O-N 3.16Å; D145-T148 VanDerWaalsContact O-N 3.16Å; D145-T148 PolarHBondContact OD1-N 3.06Å; D145-T148 PolarHBondContact OD1-OG1 3.06Å; D145-T148 PolarHBondContact OD2-OG1 2.87Å; D145-V149 PolarHBondContact O-N 3.36Å; D145-V149 VanDerWaalsContact O-N 3.14Å
146	L	90.2	Very high	93.8	Very high	56 Å²	56	55.6 Å²	55.6	29%	0.293	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-36.3	-177.4	-178.9	61.3	0	0	0	113.4	V149 I150 P197 A198 L201	L146-V149 PolarHBondContact O-N 3.29Å; L146-I150 HydrophobicContact CD1-CD1 4.05Å; L146-I150 HydrophobicContact CD1-CG1 4.25Å; L146-I150 HydrophobicContact CD2-CD1 4.49Å; L146-I150 HydrophobicContact CG-CD1 3.85Å; L146-I150 HydrophobicContact CG-CG1 4.45Å; L146-I150 VanDerWaalsContact O-CG1 3.28Å; L146-I150 WeakPolarHBondContact O-CG1 3.03Å; L146-I150 PolarHBondContact O-N 2.81Å; L146-P197 HydrophobicContact CD1-CB 4.17Å; L146-P197 HydrophobicContact CD2-CB 4.35Å; L146-A198 HydrophobicContact CB-CB 4.47Å; L146-A198 HydrophobicContact CD1-CB 4.41Å; L146-L201 HydrophobicContact CD1-CD1 3.6Å
147	A	92.7	Very high	93.8	Very high	70 Å²	70	56 Å²	56	58%	0.579	31%	0.308	S	S	*	.	H	α-helix	trans	-69.7	-38.7	-178.5	0	0	0	0	0	111.2	D145 G151	D145-A147 VanDerWaalsContact C-N 3.26Å; D145-A147 PolarHBondContact O-N 3.45Å; D145-A147 WeakPolarHBondContact OD1-CA 3.5Å; D145-A147 VanDerWaalsContact OD1-CB 3.26Å; D145-A147 WeakPolarHBondContact OD1-CB 3.41Å; D145-A147 PolarHBondContact OD1-N 2.87Å; A147-G151 PolarHBondContact O-N 3.31Å
148	T	93.9	Very high	93.9	Very high	58 Å²	58	59.3 Å²	59.3	36%	0.356	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-47.7	172.7	-62	0	0	0	0	111	P144 D145 I150 G151 D152	P144-T148 HydrophobicContact CB-CG2 4.11Å; D145-T148 WeakPolarHBondContact O-CB 3.36Å; D145-T148 PolarHBondContact O-N 3.16Å; D145-T148 VanDerWaalsContact O-N 3.16Å; D145-T148 PolarHBondContact OD1-N 3.06Å; D145-T148 PolarHBondContact OD1-OG1 3.06Å; D145-T148 PolarHBondContact OD2-OG1 2.87Å; T148-I150 PolarHBondContact O-N 3.09Å; T148-G151 PolarHBondContact O-N 3.07Å; T148-D152 PolarHBondContact O-N 3.31Å
149	V	94.1	Very high	93.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-48	178.4	178.3	0	0	0	0	111.8	Y139 P144 D145 L146 G151 D152 I153 A198 L201 I202 I209	Y139-V149 HydrophobicContact CE1-CG2 4.07Å; Y139-V149 WeakPolarHBondContact OH-CA 3.44Å; P144-V149 HydrophobicContact CB-CG2 4.3Å; P144-V149 HydrophobicContact CG-CG2 3.91Å; D145-V149 PolarHBondContact O-N 3.36Å; D145-V149 VanDerWaalsContact O-N 3.14Å; L146-V149 PolarHBondContact O-N 3.29Å; V149-G151 VanDerWaalsContact C-N 3.29Å; V149-G151 PolarHBondContact O-N 3.22Å; V149-D152 PolarHBondContact O-N 3.06Å; V149-I153 HydrophobicContact CG1-CD1 3.86Å; V149-I153 HydrophobicContact CG1-CG1 4.46Å; V149-I153 VanDerWaalsContact O-CG1 3.3Å; V149-I153 WeakPolarHBondContact O-CG1 3.4Å; V149-I153 PolarHBondContact O-N 2.98Å; V149-A198 HydrophobicContact CG2-CB 4.21Å; V149-L201 HydrophobicContact CG1-CB 3.62Å; V149-L201 HydrophobicContact CG1-CD1 4.21Å; V149-I202 HydrophobicContact CG1-CG1 4.02Å; V149-I202 HydrophobicContact CG2-CD1 4.04Å; V149-I202 HydrophobicContact CG2-CG1 3.99Å; V149-I209 HydrophobicContact CG1-CD1 4.2Å
150	I	94.1	Very high	93.7	Very high	59 Å²	59	61.7 Å²	61.7	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-42.8	176.9	-70.4	169.3	0	0	0	110.9	L146 T148 D152 I153 T154 L187 L201	L146-I150 HydrophobicContact CD1-CD1 4.05Å; L146-I150 HydrophobicContact CD1-CG1 4.25Å; L146-I150 HydrophobicContact CD2-CD1 4.49Å; L146-I150 HydrophobicContact CG-CD1 3.85Å; L146-I150 HydrophobicContact CG-CG1 4.45Å; L146-I150 VanDerWaalsContact O-CG1 3.28Å; L146-I150 WeakPolarHBondContact O-CG1 3.03Å; L146-I150 PolarHBondContact O-N 2.81Å; T148-I150 PolarHBondContact O-N 3.09Å; I150-D152 PolarHBondContact O-N 2.74Å; I150-I153 PolarHBondContact O-N 2.95Å; I150-T154 WeakPolarHBondContact O-CB 3.44Å; I150-T154 PolarHBondContact O-N 3.3Å; I150-T154 PolarHBondContact O-OG1 3.36Å; I150-L187 HydrophobicContact CB-CD2 4.4Å; I150-L187 HydrophobicContact CG1-CD2 4.12Å; I150-L187 HydrophobicContact CG2-CD2 4.21Å; I150-L201 HydrophobicContact CG1-CD1 3.86Å
151	G	95.2	Very high	93.8	Very high	28 Å²	28	63.8 Å²	63.8	29%	0.289	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-43.6	177.8	0	0	0	0	0	112.6	A147 T148 V149 T154 K155	A147-G151 PolarHBondContact O-N 3.31Å; T148-G151 PolarHBondContact O-N 3.07Å; V149-G151 VanDerWaalsContact C-N 3.29Å; V149-G151 PolarHBondContact O-N 3.22Å; G151-T154 PolarHBondContact O-N 2.96Å; G151-K155 WeakPolarHBondContact O-CG 3.4Å; G151-K155 PolarHBondContact O-N 3.08Å
152	D	95.6	Very high	93.7	Very high	14 Å²	14	60.8 Å²	60.8	8%	0.075	32%	0.323	C	S	.	.	H	α-helix	trans	-72.6	-37.4	-179.7	-67.3	-29.3	0	0	0	112.7	Y139 T148 V149 I150 T154 K155 G156 T212	Y139-D152 WeakPolarHBondContact CE2-OD2 3.46Å; Y139-D152 PolarHBondContact OH-OD2 2.75Å; T148-D152 PolarHBondContact O-N 3.31Å; V149-D152 PolarHBondContact O-N 3.06Å; I150-D152 PolarHBondContact O-N 2.74Å; D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 PolarHBondContact O-N 3.43Å; D152-K155 PolarHBondContact O-N 3.21Å; D152-K155 IonicContact OD1-NZ 3.48Å; D152-K155 PolarHBondContact OD1-NZ 3.1Å; D152-G156 PolarHBondContact O-N 2.97Å; D152-T212 HydrophobicContact CB-CG2 4.16Å; D152-T212 PolarHBondContact O-OG1 3.46Å; D152-T212 VanDerWaalsContact O-OG1 3.13Å
153	I	96.1	Very high	93.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-43.1	171.2	-63.4	168.7	0	0	0	110.3	V149 I150 K155 G156 I157 L183 L187 L201 A205 I209	V149-I153 HydrophobicContact CG1-CD1 3.86Å; V149-I153 HydrophobicContact CG1-CG1 4.46Å; V149-I153 VanDerWaalsContact O-CG1 3.3Å; V149-I153 WeakPolarHBondContact O-CG1 3.4Å; V149-I153 PolarHBondContact O-N 2.98Å; I150-I153 PolarHBondContact O-N 2.95Å; I153-K155 VanDerWaalsContact C-N 3.34Å; I153-K155 PolarHBondContact O-N 2.61Å; I153-G156 CarbonylContact O-C 3.54Å; I153-G156 WeakPolarHBondContact O-CA 3.44Å; I153-G156 PolarHBondContact O-N 3.01Å; I153-G156 VanDerWaalsContact O-N 3.09Å; I153-I157 HydrophobicContact CG2-CD1 4.16Å; I153-I157 HydrophobicContact CG2-CG1 4.46Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.07Å; I153-L183 HydrophobicContact CG2-CD2 4.41Å; I153-L187 HydrophobicContact CB-CD1 4.36Å; I153-L187 HydrophobicContact CB-CD2 4.08Å; I153-L187 HydrophobicContact CD1-CD2 3.92Å; I153-L187 HydrophobicContact CG2-CD1 3.81Å; I153-L187 HydrophobicContact CG2-CD2 3.92Å; I153-L187 HydrophobicContact CG2-CG 3.9Å; I153-L201 HydrophobicContact CD1-CB 3.9Å; I153-L201 HydrophobicContact CD1-CD1 4.3Å; I153-L201 HydrophobicContact CD1-CD2 4.2Å; I153-L201 HydrophobicContact CD1-CG 4.38Å; I153-A205 HydrophobicContact CD1-CB 3.51Å; I153-A205 HydrophobicContact CG1-CB 3.59Å; I153-A205 HydrophobicContact CG2-CB 4.13Å; I153-I209 HydrophobicContact CD1-CD1 4.25Å; I153-I209 HydrophobicContact CG1-CD1 3.85Å; I153-I209 HydrophobicContact CG1-CG1 3.66Å
154	T	96.2	Very high	93.5	Very high	55 Å²	55	52.8 Å²	52.8	34%	0.337	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-42.9	178.8	-58.5	0	0	0	0	111.6	I150 G151 D152 G156 I157 Q158	I150-T154 WeakPolarHBondContact O-CB 3.44Å; I150-T154 PolarHBondContact O-N 3.3Å; I150-T154 PolarHBondContact O-OG1 3.36Å; G151-T154 PolarHBondContact O-N 2.96Å; D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 PolarHBondContact O-N 3.43Å; T154-G156 VanDerWaalsContact C-N 3.33Å; T154-I157 PolarHBondContact O-N 3.49Å; T154-Q158 WeakPolarHBondContact O-CG 3.43Å; T154-Q158 PolarHBondContact O-N 2.69Å
155	K	96.2	Very high	93.4	Very high	103 Å²	103	56.8 Å²	56.8	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-41.8	172.7	-68.1	169.5	-161.6	157.1	0	111.4	G151 D152 I153 I157 Q158 R159 T212	G151-K155 WeakPolarHBondContact O-CG 3.4Å; G151-K155 PolarHBondContact O-N 3.08Å; D152-K155 PolarHBondContact O-N 3.21Å; D152-K155 IonicContact OD1-NZ 3.48Å; D152-K155 PolarHBondContact OD1-NZ 3.1Å; I153-K155 VanDerWaalsContact C-N 3.34Å; I153-K155 PolarHBondContact O-N 2.61Å; K155-I157 PolarHBondContact O-N 3.36Å; K155-Q158 WeakPolarHBondContact O-CB 3.43Å; K155-Q158 PolarHBondContact O-N 3.46Å; K155-R159 WeakPolarHBondContact O-CG 3.36Å; K155-R159 PolarHBondContact O-N 3.38Å; K155-T212 HydrophobicContact CB-CG2 3.74Å; K155-T212 HydrophobicContact CD-CG2 3.71Å; K155-T212 HydrophobicContact CG-CG2 4.41Å
156	G	94.2	Very high	93.1	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-45.5	175.1	0	0	0	0	0	112.5	D152 I153 T154 Q158 R159 I160 T212	D152-G156 PolarHBondContact O-N 2.97Å; I153-G156 CarbonylContact O-C 3.54Å; I153-G156 WeakPolarHBondContact O-CA 3.44Å; I153-G156 PolarHBondContact O-N 3.01Å; I153-G156 VanDerWaalsContact O-N 3.09Å; T154-G156 VanDerWaalsContact C-N 3.33Å; G156-Q158 VanDerWaalsContact C-N 3.33Å; G156-Q158 PolarHBondContact O-N 2.95Å; G156-R159 WeakPolarHBondContact O-CB 3.35Å; G156-R159 PolarHBondContact O-N 3.24Å; G156-I160 WeakPolarHBondContact O-CG1 3.24Å; G156-I160 PolarHBondContact O-N 2.89Å; G156-T212 WeakPolarHBondContact CA-OG1 3.42Å; G156-T212 PolarHBondContact N-OG1 3.12Å; G156-T212 VanDerWaalsContact N-OG1 3.12Å
157	I	95.7	Very high	92.8	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-45	174.5	-67.3	168.2	0	0	0	111	I153 T154 K155 R159 I160 K161 V180 L183 L187	I153-I157 HydrophobicContact CG2-CD1 4.16Å; I153-I157 HydrophobicContact CG2-CG1 4.46Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.07Å; T154-I157 PolarHBondContact O-N 3.49Å; K155-I157 PolarHBondContact O-N 3.36Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 3.27Å; I157-I160 PolarHBondContact O-N 3.06Å; I157-K161 HydrophobicContact CG2-CD 4.17Å; I157-K161 HydrophobicContact CG2-CG 4.44Å; I157-K161 WeakPolarHBondContact O-CG 3.33Å; I157-K161 PolarHBondContact O-N 2.97Å; I157-V180 HydrophobicContact CG2-CG1 4.15Å; I157-L183 HydrophobicContact CD1-CB 3.77Å; I157-L183 HydrophobicContact CG1-CB 3.69Å; I157-L183 HydrophobicContact CG1-CD1 3.98Å; I157-L183 HydrophobicContact CG1-CG 4.5Å; I157-L187 HydrophobicContact CD1-CD1 3.74Å
158	Q	95.2	Very high	92.3	Very high	124 Å²	124	59.4 Å²	59.4	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-39.6	177.9	-70.8	173.9	-7.8	0	0	111.9	T154 K155 G156 K161 S162	T154-Q158 WeakPolarHBondContact O-CG 3.43Å; T154-Q158 PolarHBondContact O-N 2.69Å; K155-Q158 WeakPolarHBondContact O-CB 3.43Å; K155-Q158 PolarHBondContact O-N 3.46Å; G156-Q158 VanDerWaalsContact C-N 3.33Å; G156-Q158 PolarHBondContact O-N 2.95Å; Q158-K161 PolarHBondContact O-N 3.05Å; Q158-S162 PolarHBondContact O-N 3.47Å
159	R	92.1	Very high	91.7	Very high	97 Å²	97	59 Å²	59	37%	0.366	32%	0.321	S	S	.	.	H	α-helix	trans	-66.5	-37	176.2	-72.7	174.2	139.6	-86.7	-16.7	113.1	K155 G156 I157 S162 K163 D211	K155-R159 WeakPolarHBondContact O-CG 3.36Å; K155-R159 PolarHBondContact O-N 3.38Å; G156-R159 WeakPolarHBondContact O-CB 3.35Å; G156-R159 PolarHBondContact O-N 3.24Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 3.27Å; R159-S162 PolarHBondContact O-OG 2.73Å; R159-K163 WeakPolarHBondContact O-CG 3.41Å; R159-D211 WeakPolarHBondContact CD-OD2 3.47Å; R159-D211 IonicContact CZ-OD2 3.05Å; R159-D211 IonicContact NH1-OD2 3.54Å; R159-D211 PolarHBondContact NH1-OD2 3.3Å
160	I	92.6	Very high	91.2	Very high	24 Å²	24	63.6 Å²	63.6	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-48.3	172.9	-62.9	166.5	0	0	0	109.3	G156 I157 S162 K163 I164 L176 E179 V180 L183	G156-I160 WeakPolarHBondContact O-CG1 3.24Å; G156-I160 PolarHBondContact O-N 2.89Å; I157-I160 PolarHBondContact O-N 3.06Å; I160-S162 VanDerWaalsContact C-N 3.26Å; I160-S162 PolarHBondContact O-N 3.06Å; I160-K163 PolarHBondContact O-N 2.98Å; I160-I164 PolarHBondContact O-N 3.41Å; I160-L176 HydrophobicContact CG2-CB 4.14Å; I160-L176 HydrophobicContact CG2-CD2 3.94Å; I160-E179 HydrophobicContact CD1-CG 4.06Å; I160-V180 HydrophobicContact CB-CG2 3.93Å; I160-V180 HydrophobicContact CG2-CG2 3.5Å; I160-V180 VanDerWaalsContact CG2-CG2 3.5Å; I160-L183 HydrophobicContact CD1-CD1 3.74Å
161	K	94	Very high	90.5	Very high	110 Å²	110	64.5 Å²	64.5	48%	0.478	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-36	178	-75.6	-178.2	177.9	-179.6	0	113.2	I157 Q158 K163 I164 P165 V180	I157-K161 HydrophobicContact CG2-CD 4.17Å; I157-K161 HydrophobicContact CG2-CG 4.44Å; I157-K161 WeakPolarHBondContact O-CG 3.33Å; I157-K161 PolarHBondContact O-N 2.97Å; Q158-K161 PolarHBondContact O-N 3.05Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.25Å; K161-I164 PolarHBondContact O-N 3.22Å; K161-P165 VanDerWaalsContact O-CD 3.3Å; K161-P165 WeakPolarHBondContact O-CD 3.37Å; K161-V180 HydrophobicContact CD-CG1 4.37Å; K161-V180 HydrophobicContact CG-CG1 4.16Å; K161-V180 HydrophobicContact CG-CG2 3.92Å
162	S	92.3	Very high	89.9	Confident	82 Å²	82	66.8 Å²	66.8	57%	0.573	36%	0.358	S	S	*	.	H	α-helix	trans	-69.3	-21.3	177.8	61.6	0	0	0	0	114.1	Q158 R159 I160	Q158-S162 PolarHBondContact O-N 3.47Å; R159-S162 PolarHBondContact O-OG 2.73Å; I160-S162 VanDerWaalsContact C-N 3.26Å; I160-S162 PolarHBondContact O-N 3.06Å
163	K	88.9	Confident	89.5	Confident	85 Å²	85	70 Å²	70	37%	0.37	37%	0.371	S	S	.	.	H	α-helix	trans	-86	-25.7	179.3	-65.8	172.9	-173.7	174	0	113.1	R159 I160 K161 P165 S166 E167 D211	R159-K163 WeakPolarHBondContact O-CG 3.41Å; I160-K163 PolarHBondContact O-N 2.98Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.25Å; K163-P165 VanDerWaalsContact C-CD 3.5Å; K163-S166 PolarHBondContact O-N 3.02Å; K163-S166 PolarHBondContact O-OG 3.22Å; K163-E167 PolarHBondContact O-N 3.01Å; K163-D211 IonicContact NZ-OD1 3.1Å
164	I	90.3	Very high	89	Confident	21 Å²	21	72.9 Å²	72.9	11%	0.108	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-39.9	-176.7	-65.5	172.9	0	0	0	113.8	I160 K161 S166 E167 K173 L176 V180	I160-I164 PolarHBondContact O-N 3.41Å; K161-I164 PolarHBondContact O-N 3.22Å; I164-S166 VanDerWaalsContact C-N 3.32Å; I164-S166 PolarHBondContact O-N 2.89Å; I164-E167 PolarHBondContact O-N 3.44Å; I164-K173 HydrophobicContact CG2-CG 4.09Å; I164-K173 WeakPolarHBondContact O-CE 3.29Å; I164-L176 HydrophobicContact CD1-CB 4.17Å; I164-L176 HydrophobicContact CG1-CB 3.74Å; I164-L176 HydrophobicContact CG1-CD1 4.17Å; I164-V180 HydrophobicContact CD1-CG2 4.3Å
165	P	89.3	Confident	88.5	Confident	103 Å²	103	72.5 Å²	72.5	67%	0.669	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-30.7	-180	-23.7	35.2	0	0	0	114.1	K161 K163	K161-P165 VanDerWaalsContact O-CD 3.3Å; K161-P165 WeakPolarHBondContact O-CD 3.37Å; K163-P165 VanDerWaalsContact C-CD 3.5Å
166	S	85.6	Confident	88.2	Confident	93 Å²	93	69.3 Å²	69.3	65%	0.65	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-11.6	-179.1	50.3	0	0	0	0	114	K163 I164 T168	K163-S166 PolarHBondContact O-N 3.02Å; K163-S166 PolarHBondContact O-OG 3.22Å; I164-S166 VanDerWaalsContact C-N 3.32Å; I164-S166 PolarHBondContact O-N 2.89Å; S166-T168 PolarHBondContact O-N 3.43Å
167	E	84.1	Confident	88.2	Confident	46 Å²	46	72.5 Å²	72.5	22%	0.215	39%	0.394	C	S	.	.			trans	-75.5	123.1	-179.8	-176.6	57.1	-96.9	0	0	111	K163 I164 D169 K172 K173 L176	K163-E167 PolarHBondContact O-N 3.01Å; I164-E167 PolarHBondContact O-N 3.44Å; E167-D169 WeakPolarHBondContact OE1-CB 3.34Å; E167-D169 PolarHBondContact OE1-N 3.4Å; E167-K172 HydrophobicContact CG-CB 3.8Å; E167-K172 WeakPolarHBondContact OE2-CD 3.43Å; E167-K173 HydrophobicContact CB-CB 4.49Å; E167-K173 HydrophobicContact CG-CB 4.08Å; E167-L176 HydrophobicContact CB-CD1 4.38Å; E167-L176 HydrophobicContact CG-CD1 4.38Å
168	T	82.8	Confident	87.9	Confident	134 Å²	134	75.5 Å²	75.5	82%	0.822	42%	0.416	S	S	*	.			trans	-94.2	-25.4	-177.9	53.7	0	0	0	0	112.2	S166	S166-T168 PolarHBondContact O-N 3.43Å
169	D	82	Confident	87.8	Confident	50 Å²	50	70.6 Å²	70.6	27%	0.267	39%	0.393	S	S	.	.			trans	-77.6	118.3	179.1	-178.5	-36.6	0	0	0	110.1	E167 D171 K172 K173	E167-D169 WeakPolarHBondContact OE1-CB 3.34Å; E167-D169 PolarHBondContact OE1-N 3.4Å; D169-D171 VanDerWaalsContact C-N 3.29Å; D169-D171 PolarHBondContact O-N 3.21Å; D169-D171 WeakPolarHBondContact OD1-CA 3.12Å; D169-D171 WeakPolarHBondContact OD1-CB 3.32Å; D169-D171 PolarHBondContact OD1-N 2.93Å; D169-K172 HydrophobicContact CB-CB 4Å; D169-K172 HydrophobicContact CB-CD 3.91Å; D169-K172 HydrophobicContact CB-CG 3.97Å; D169-K172 PolarHBondContact O-N 2.83Å; D169-K172 PolarHBondContact OD1-N 3.3Å; D169-K172 VanDerWaalsContact OD1-N 3.11Å; D169-K173 VanDerWaalsContact O-CB 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.44Å; D169-K173 PolarHBondContact O-N 3.45Å
170	P	82.5	Confident	87.9	Confident	95 Å²	95	66.2 Å²	66.2	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-62.9	-34.1	-177.5	26	-33.7	0	0	0	112.9	K173 A174	P170-K173 PolarHBondContact O-N 3.03Å; P170-A174 WeakPolarHBondContact O-CB 3.28Å; P170-A174 PolarHBondContact O-N 3.44Å
171	D	79.2	Confident	88	Confident	78 Å²	78	70.3 Å²	70.3	42%	0.417	40%	0.399	S	S	.	.	H	α-helix	trans	-72.9	-43.8	-178.5	-65.3	-24.4	0	0	0	110.3	D169 K173 A174 H175 L423	D169-D171 VanDerWaalsContact C-N 3.29Å; D169-D171 PolarHBondContact O-N 3.21Å; D169-D171 WeakPolarHBondContact OD1-CA 3.12Å; D169-D171 WeakPolarHBondContact OD1-CB 3.32Å; D169-D171 PolarHBondContact OD1-N 2.93Å; D171-K173 VanDerWaalsContact C-N 3.33Å; D171-K173 PolarHBondContact O-N 2.77Å; D171-A174 PolarHBondContact O-N 2.9Å; D171-H175 WeakPolarHBondContact O-CB 3.37Å; D171-H175 PolarHBondContact O-N 3.25Å; D171-L423 HydrophobicContact CB-CD2 3.82Å
172	K	83	Confident	88	Confident	76 Å²	76	69.6 Å²	69.6	33%	0.33	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-41.5	173.2	-67.6	-177.5	-168.5	168.1	0	111.4	E167 D169 A174 H175 L176 L423	E167-K172 HydrophobicContact CG-CB 3.8Å; E167-K172 WeakPolarHBondContact OE2-CD 3.43Å; D169-K172 HydrophobicContact CB-CB 4Å; D169-K172 HydrophobicContact CB-CD 3.91Å; D169-K172 HydrophobicContact CB-CG 3.97Å; D169-K172 PolarHBondContact O-N 2.83Å; D169-K172 PolarHBondContact OD1-N 3.3Å; D169-K172 VanDerWaalsContact OD1-N 3.11Å; K172-A174 PolarHBondContact O-N 3.19Å; K172-H175 WeakPolarHBondContact O-CB 3.36Å; K172-H175 PolarHBondContact O-N 2.68Å; K172-L176 VanDerWaalsContact O-CG 3.31Å; K172-L176 WeakPolarHBondContact O-CG 3.49Å; K172-L176 PolarHBondContact O-N 2.91Å; K172-L423 HydrophobicContact CG-CD2 4Å
173	K	87.1	Confident	88.1	Confident	82 Å²	82	65.7 Å²	65.7	36%	0.357	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.8	-167.6	173.2	-171.5	164.4	0	111.6	I164 E167 D169 P170 D171 H175 L176 N177	I164-K173 HydrophobicContact CG2-CG 4.09Å; I164-K173 WeakPolarHBondContact O-CE 3.29Å; E167-K173 HydrophobicContact CB-CB 4.49Å; E167-K173 HydrophobicContact CG-CB 4.08Å; D169-K173 VanDerWaalsContact O-CB 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.44Å; D169-K173 PolarHBondContact O-N 3.45Å; P170-K173 PolarHBondContact O-N 3.03Å; D171-K173 VanDerWaalsContact C-N 3.33Å; D171-K173 PolarHBondContact O-N 2.77Å; K173-H175 VanDerWaalsContact C-N 3.34Å; K173-L176 PolarHBondContact O-N 3.28Å; K173-N177 PolarHBondContact O-N 3.13Å; K173-N177 VanDerWaalsContact O-N 3.15Å; K173-N177 PolarHBondContact O-ND2 2.84Å
174	A	86.3	Confident	88.4	Confident	60 Å²	60	64.5 Å²	64.5	50%	0.496	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-42.9	174.2	0	0	0	0	0	111.5	P170 D171 K172 N177 S178	P170-A174 WeakPolarHBondContact O-CB 3.28Å; P170-A174 PolarHBondContact O-N 3.44Å; D171-A174 PolarHBondContact O-N 2.9Å; K172-A174 PolarHBondContact O-N 3.19Å; A174-N177 PolarHBondContact O-N 3.12Å; A174-S178 WeakPolarHBondContact O-CB 3.32Å; A174-S178 PolarHBondContact O-N 2.85Å
175	H	85	Confident	88.5	Confident	48 Å²	48	66.6 Å²	66.6	22%	0.222	38%	0.382	C	S	.	.	H	α-helix	trans	-60	-47.3	176.2	-176.4	72.4	0	0	0	112.7	D171 K172 K173 N177 S178 E179 S422	D171-H175 WeakPolarHBondContact O-CB 3.37Å; D171-H175 PolarHBondContact O-N 3.25Å; K172-H175 WeakPolarHBondContact O-CB 3.36Å; K172-H175 PolarHBondContact O-N 2.68Å; K173-H175 VanDerWaalsContact C-N 3.34Å; H175-N177 VanDerWaalsContact C-N 3.34Å; H175-N177 PolarHBondContact O-N 3.22Å; H175-S178 PolarHBondContact O-N 2.61Å; H175-E179 PolarHBondContact O-N 3.48Å; H175-S422 PolarHBondContact CD2-O 3.3Å
176	L	90.9	Very high	88.6	Confident	36 Å²	36	62.3 Å²	62.3	19%	0.188	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-39.7	179.2	-67	171.3	0	0	0	112.2	I160 I164 E167 K172 K173 E179 V180	I160-L176 HydrophobicContact CG2-CB 4.14Å; I160-L176 HydrophobicContact CG2-CD2 3.94Å; I164-L176 HydrophobicContact CD1-CB 4.17Å; I164-L176 HydrophobicContact CG1-CB 3.74Å; I164-L176 HydrophobicContact CG1-CD1 4.17Å; E167-L176 HydrophobicContact CB-CD1 4.38Å; E167-L176 HydrophobicContact CG-CD1 4.38Å; K172-L176 VanDerWaalsContact O-CG 3.31Å; K172-L176 WeakPolarHBondContact O-CG 3.49Å; K172-L176 PolarHBondContact O-N 2.91Å; K173-L176 PolarHBondContact O-N 3.28Å; L176-E179 PolarHBondContact O-N 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.49Å; L176-V180 PolarHBondContact O-N 3.15Å; L176-V180 VanDerWaalsContact O-N 3.08Å
177	N	92.5	Very high	88.9	Confident	68 Å²	68	59.7 Å²	59.7	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-46.9	174.6	-75.9	-67.2	0	0	0	111.4	K173 A174 H175 E179 V180 D181	K173-N177 PolarHBondContact O-N 3.13Å; K173-N177 VanDerWaalsContact O-N 3.15Å; K173-N177 PolarHBondContact O-ND2 2.84Å; A174-N177 PolarHBondContact O-N 3.12Å; H175-N177 VanDerWaalsContact C-N 3.34Å; H175-N177 PolarHBondContact O-N 3.22Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.32Å; N177-V180 WeakPolarHBondContact O-CB 3.41Å; N177-V180 PolarHBondContact O-N 3.38Å; N177-V180 VanDerWaalsContact O-N 3.15Å; N177-D181 PolarHBondContact O-N 3Å
178	S	90.8	Very high	89.1	Confident	74 Å²	74	62.1 Å²	62.1	52%	0.517	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-40.6	177.2	-177.2	0	0	0	0	112.4	A174 H175 D181 R182	A174-S178 WeakPolarHBondContact O-CB 3.32Å; A174-S178 PolarHBondContact O-N 2.85Å; H175-S178 PolarHBondContact O-N 2.61Å; S178-D181 PolarHBondContact O-N 3.25Å; S178-R182 WeakPolarHBondContact O-CB 3.46Å; S178-R182 PolarHBondContact O-N 2.88Å
179	E	92.1	Very high	89.2	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-38.7	176.8	-176.9	63.2	-171.2	0	0	112.4	I160 H175 L176 N177 R182 L183 K424	I160-E179 HydrophobicContact CD1-CG 4.06Å; H175-E179 PolarHBondContact O-N 3.48Å; L176-E179 PolarHBondContact O-N 3.25Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.32Å; E179-R182 PolarHBondContact O-N 2.81Å; E179-R182 IonicContact OE1-CZ 2.75Å; E179-R182 IonicContact OE1-NE 2.7Å; E179-R182 PolarHBondContact OE1-NE 3.03Å; E179-R182 IonicContact OE1-NH2 3.52Å; E179-R182 PolarHBondContact OE1-NH2 3Å; E179-R182 IonicContact OE2-CZ 2.7Å; E179-R182 IonicContact OE2-NE 2.81Å; E179-R182 PolarHBondContact OE2-NE 3.06Å; E179-R182 IonicContact OE2-NH2 3.18Å; E179-L183 HydrophobicContact CG-CD1 4.08Å; E179-L183 WeakPolarHBondContact O-CB 3.24Å; E179-L183 VanDerWaalsContact O-CG 3.29Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 2.68Å; E179-K424 IonicContact OE2-NZ 2.74Å
180	V	94.6	Very high	88.9	Confident	6 Å²	6	58.7 Å²	58.7	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-45.8	173.5	163.4	0	0	0	0	111.1	I157 I160 K161 I164 L176 N177 L183 T184	I157-V180 HydrophobicContact CG2-CG1 4.15Å; I160-V180 HydrophobicContact CB-CG2 3.93Å; I160-V180 HydrophobicContact CG2-CG2 3.5Å; I160-V180 VanDerWaalsContact CG2-CG2 3.5Å; K161-V180 HydrophobicContact CD-CG1 4.37Å; K161-V180 HydrophobicContact CG-CG1 4.16Å; K161-V180 HydrophobicContact CG-CG2 3.92Å; I164-V180 HydrophobicContact CD1-CG2 4.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.49Å; L176-V180 PolarHBondContact O-N 3.15Å; L176-V180 VanDerWaalsContact O-N 3.08Å; N177-V180 WeakPolarHBondContact O-CB 3.41Å; N177-V180 PolarHBondContact O-N 3.38Å; N177-V180 VanDerWaalsContact O-N 3.15Å; V180-L183 PolarHBondContact O-N 3.48Å; V180-T184 WeakPolarHBondContact O-CB 3.41Å; V180-T184 PolarHBondContact O-N 3.5Å; V180-T184 PolarHBondContact O-OG1 3.07Å
181	D	94.3	Very high	88.3	Confident	109 Å²	109	55.9 Å²	55.9	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-65.1	-42.8	179.3	-68.7	-21.2	0	0	0	110.9	N177 S178 T184 S185	N177-D181 PolarHBondContact O-N 3Å; S178-D181 PolarHBondContact O-N 3.25Å; D181-T184 PolarHBondContact O-N 3.23Å; D181-S185 VanDerWaalsContact O-CB 3.31Å; D181-S185 WeakPolarHBondContact O-CB 3.32Å; D181-S185 PolarHBondContact O-N 3.36Å
182	R	94.5	Very high	87.7	Confident	96 Å²	96	58.9 Å²	58.9	36%	0.362	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-49.8	175.3	-171	-168.4	73.4	79.6	-1.7	111.9	S178 E179 S185 L186 N204	S178-R182 WeakPolarHBondContact O-CB 3.46Å; S178-R182 PolarHBondContact O-N 2.88Å; E179-R182 PolarHBondContact O-N 2.81Å; E179-R182 IonicContact OE1-CZ 2.75Å; E179-R182 IonicContact OE1-NE 2.7Å; E179-R182 PolarHBondContact OE1-NE 3.03Å; E179-R182 IonicContact OE1-NH2 3.52Å; E179-R182 PolarHBondContact OE1-NH2 3Å; E179-R182 IonicContact OE2-CZ 2.7Å; E179-R182 IonicContact OE2-NE 2.81Å; E179-R182 PolarHBondContact OE2-NE 3.06Å; E179-R182 IonicContact OE2-NH2 3.18Å; R182-S185 PolarHBondContact O-N 3.2Å; R182-L186 WeakPolarHBondContact O-CB 3.45Å; R182-L186 PolarHBondContact O-N 2.81Å; R182-N204 PolarHBondContact NH1-O 3.32Å; R182-N204 PolarHBondContact NH2-O 3.31Å; R182-N204 VanDerWaalsContact NH2-O 3.07Å
183	L	94.7	Very high	86.9	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-67.5	-37.7	-179.7	-70.4	170.4	0	0	0	112	I153 I157 I160 E179 V180 L186 L187 A205 A208	I153-L183 HydrophobicContact CG2-CD2 4.41Å; I157-L183 HydrophobicContact CD1-CB 3.77Å; I157-L183 HydrophobicContact CG1-CB 3.69Å; I157-L183 HydrophobicContact CG1-CD1 3.98Å; I157-L183 HydrophobicContact CG1-CG 4.5Å; I160-L183 HydrophobicContact CD1-CD1 3.74Å; E179-L183 HydrophobicContact CG-CD1 4.08Å; E179-L183 WeakPolarHBondContact O-CB 3.24Å; E179-L183 VanDerWaalsContact O-CG 3.29Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 2.68Å; V180-L183 PolarHBondContact O-N 3.48Å; L183-L186 HydrophobicContact CD2-CD2 4.46Å; L183-L186 PolarHBondContact O-N 3.4Å; L183-L187 WeakPolarHBondContact O-CG 3.28Å; L183-L187 PolarHBondContact O-N 2.81Å; L183-A205 HydrophobicContact CD2-CB 3.73Å; L183-A208 HydrophobicContact CD1-CB 3.78Å; L183-A208 HydrophobicContact CD2-CB 4.3Å
184	T	94.6	Very high	85.8	Confident	59 Å²	59	63 Å²	63	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-65.8	-41.3	176.2	-55.6	0	0	0	0	111.1	V180 D181 L187 S188	V180-T184 WeakPolarHBondContact O-CB 3.41Å; V180-T184 PolarHBondContact O-N 3.5Å; V180-T184 PolarHBondContact O-OG1 3.07Å; D181-T184 PolarHBondContact O-N 3.23Å; T184-L187 PolarHBondContact O-N 2.76Å; T184-S188 PolarHBondContact O-N 3.18Å; T184-S188 PolarHBondContact O-OG 3.17Å
185	S	93.2	Very high	85	Confident	65 Å²	65	70 Å²	70	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-44.7	173.9	-175.6	0	0	0	0	111.7	D181 R182 L187 S188 T189	D181-S185 VanDerWaalsContact O-CB 3.31Å; D181-S185 WeakPolarHBondContact O-CB 3.32Å; D181-S185 PolarHBondContact O-N 3.36Å; R182-S185 PolarHBondContact O-N 3.2Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 3.04Å; S185-S188 PolarHBondContact O-N 2.98Å; S185-T189 PolarHBondContact O-N 2.99Å; S185-T189 PolarHBondContact O-OG1 2.91Å
186	L	91.7	Very high	85	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-57.2	-43.5	176.6	179.5	67.1	0	0	0	112.1	R182 L183 S188 T189 V190 Y200 L201 N204 A205	R182-L186 WeakPolarHBondContact O-CB 3.45Å; R182-L186 PolarHBondContact O-N 2.81Å; L183-L186 HydrophobicContact CD2-CD2 4.46Å; L183-L186 PolarHBondContact O-N 3.4Å; L186-S188 VanDerWaalsContact C-N 3.25Å; L186-S188 PolarHBondContact O-N 3.1Å; L186-T189 PolarHBondContact O-N 2.91Å; L186-V190 PolarHBondContact O-N 2.81Å; L186-Y200 HydrophobicContact CD1-CD1 4.5Å; L186-Y200 HydrophobicContact CD1-CE1 3.62Å; L186-L201 HydrophobicContact CD1-CD2 4.18Å; L186-L201 HydrophobicContact CD2-CD2 4.13Å; L186-L201 HydrophobicContact CG-CD2 3.76Å; L186-N204 HydrophobicContact CD1-CB 3.98Å; L186-N204 HydrophobicContact CD2-CB 3.67Å; L186-N204 HydrophobicContact CG-CB 4.5Å; L186-A205 HydrophobicContact CD2-CB 3.95Å
187	L	91.4	Very high	84.8	Confident	39 Å²	39	70.5 Å²	70.5	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-67.3	-24.7	175.8	-72.8	-179.5	0	0	0	113.5	I150 I153 I157 L183 T184 S185	I150-L187 HydrophobicContact CB-CD2 4.4Å; I150-L187 HydrophobicContact CG1-CD2 4.12Å; I150-L187 HydrophobicContact CG2-CD2 4.21Å; I153-L187 HydrophobicContact CB-CD1 4.36Å; I153-L187 HydrophobicContact CB-CD2 4.08Å; I153-L187 HydrophobicContact CD1-CD2 3.92Å; I153-L187 HydrophobicContact CG2-CD1 3.81Å; I153-L187 HydrophobicContact CG2-CD2 3.92Å; I153-L187 HydrophobicContact CG2-CG 3.9Å; I157-L187 HydrophobicContact CD1-CD1 3.74Å; L183-L187 WeakPolarHBondContact O-CG 3.28Å; L183-L187 PolarHBondContact O-N 2.81Å; T184-L187 PolarHBondContact O-N 2.76Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 3.04Å
188	S	87.9	Confident	84.6	Confident	96 Å²	96	67.7 Å²	67.7	67%	0.671	37%	0.373	S	S	*	.	H	α-helix	trans	-88.2	-17.5	180	-54	0	0	0	0	113.1	T184 S185 L186	T184-S188 PolarHBondContact O-N 3.18Å; T184-S188 PolarHBondContact O-OG 3.17Å; S185-S188 PolarHBondContact O-N 2.98Å; L186-S188 VanDerWaalsContact C-N 3.25Å; L186-S188 PolarHBondContact O-N 3.1Å
189	T	84.3	Confident	84.5	Confident	87 Å²	87	67.4 Å²	67.4	53%	0.534	37%	0.366	S	S	.	.	S	Bend	trans	-117.8	21.5	-171.9	53.3	0	0	0	0	112.8	S185 L186 P191	S185-T189 PolarHBondContact O-N 2.99Å; S185-T189 PolarHBondContact O-OG1 2.91Å; L186-T189 PolarHBondContact O-N 2.91Å; T189-P191 WeakPolarHBondContact O-CD 3.44Å
190	V	75.4	Confident	84.4	Confident	26 Å²	26	69.3 Å²	69.3	16%	0.158	37%	0.373	C	S	.	.			trans	-52.3	114.4	179.8	-174	0	0	0	0	109.1	L186 L192 P197 L201	L186-V190 PolarHBondContact O-N 2.81Å; V190-L192 PolarHBondContact O-N 2.93Å; V190-P197 HydrophobicContact CG1-CB 3.86Å; V190-L201 HydrophobicContact CG1-CD1 4.46Å; V190-L201 HydrophobicContact CG2-CD1 4.12Å; V190-L201 HydrophobicContact CG2-CD2 4.13Å; V190-L201 HydrophobicContact CG2-CG 4.46Å
191	P	69.8	Low	84.3	Confident	35 Å²	35	69 Å²	69	23%	0.227	37%	0.371	C	S	.	.			trans	-66.9	104.5	176.6	25.4	-30.5	0	0	0	107.6	T189 D193 E194 Y200	T189-P191 WeakPolarHBondContact O-CD 3.44Å; P191-D193 PolarHBondContact O-N 3.23Å; P191-E194 HydrophobicContact CB-CB 4.5Å; P191-E194 HydrophobicContact CB-CG 3.98Å; P191-E194 HydrophobicContact CG-CB 4.26Å; P191-E194 HydrophobicContact CG-CG 3.68Å; P191-E194 PolarHBondContact O-N 2.98Å; P191-Y200 HydrophobicContact CG-CD1 4.13Å; P191-Y200 HydrophobicContact CG-CE1 4.02Å; P191-Y200 HydrophobicContact CG-CG 4.44Å
192	L	67.1	Low	84.2	Confident	142 Å²	142	64.1 Å²	64.1	74%	0.743	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.4	173.2	-65.5	173.5	0	0	0	111.5	V190	V190-L192 PolarHBondContact O-N 2.93Å
193	D	66.4	Low	84	Confident	162 Å²	162	64.7 Å²	64.7	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.3	-179.1	-51.5	-27.5	0	0	0	113.5	P191	P191-D193 PolarHBondContact O-N 3.23Å
194	E	64.1	Low	83.8	Confident	81 Å²	81	67.7 Å²	67.7	38%	0.379	37%	0.371	S	S	.	.	S	Bend	trans	-75.9	144.4	175	-82.4	-162.3	-164.3	0	0	112.1	P191 N196 P197 Y200	P191-E194 HydrophobicContact CB-CB 4.5Å; P191-E194 HydrophobicContact CB-CG 3.98Å; P191-E194 HydrophobicContact CG-CB 4.26Å; P191-E194 HydrophobicContact CG-CG 3.68Å; P191-E194 PolarHBondContact O-N 2.98Å; E194-N196 PolarHBondContact O-N 3.39Å; E194-P197 WeakPolarHBondContact O-CD 3.47Å; E194-Y200 WeakPolarHBondContact OE1-CD2 3.41Å; E194-Y200 VanDerWaalsContact OE1-CE2 3.23Å; E194-Y200 WeakPolarHBondContact OE1-CE2 3.26Å; E194-Y200 WeakPolarHBondContact OE2-CB 3.35Å; E194-Y200 WeakPolarHBondContact OE2-CD2 3.43Å
195	E	70.1	Confident	83.8	Confident	209 Å²	209	64.9 Å²	64.9	98%	0.977	35%	0.353	S	S	*	.	S	Bend	trans	-56.8	-24.9	179.1	-73.9	-174	164.7	0	0	113.2
196	N	83.8	Confident	83.8	Confident	65 Å²	65	66.3 Å²	66.3	35%	0.348	35%	0.349	S	S	.	.			trans	-150.1	88.6	175.7	-170.1	-22.4	0	0	0	112.6	E194 A198 N199 Y200	E194-N196 PolarHBondContact O-N 3.39Å; N196-A198 VanDerWaalsContact C-N 3.25Å; N196-A198 PolarHBondContact O-N 2.91Å; N196-A198 PolarHBondContact OD1-N 3.29Å; N196-N199 HydrophobicContact CB-CB 4.05Å; N196-N199 PolarHBondContact O-N 3Å; N196-N199 PolarHBondContact OD1-N 3.03Å; N196-Y200 PolarHBondContact O-N 2.98Å; N196-Y200 VanDerWaalsContact O-N 3.11Å
197	P	86.4	Confident	83.8	Confident	29 Å²	29	69.3 Å²	69.3	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-31	-179.4	-24.8	35	0	0	0	113.9	L146 V190 E194 L201	L146-P197 HydrophobicContact CD1-CB 4.17Å; L146-P197 HydrophobicContact CD2-CB 4.35Å; V190-P197 HydrophobicContact CG1-CB 3.86Å; E194-P197 WeakPolarHBondContact O-CD 3.47Å; P197-L201 WeakPolarHBondContact O-CG 3.47Å; P197-L201 PolarHBondContact O-N 3.45Å; P197-L201 VanDerWaalsContact O-N 3.13Å
198	A	88.9	Confident	83.9	Confident	8 Å²	8	67.7 Å²	67.7	7%	0.066	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-46.5	178.4	0	0	0	0	0	111	L146 V149 N196 Y200 L201 I202	L146-A198 HydrophobicContact CB-CB 4.47Å; L146-A198 HydrophobicContact CD1-CB 4.41Å; V149-A198 HydrophobicContact CG2-CB 4.21Å; N196-A198 VanDerWaalsContact C-N 3.25Å; N196-A198 PolarHBondContact O-N 2.91Å; N196-A198 PolarHBondContact OD1-N 3.29Å; A198-Y200 VanDerWaalsContact C-N 3.34Å; A198-Y200 PolarHBondContact O-N 2.75Å; A198-L201 PolarHBondContact O-N 3.21Å; A198-I202 VanDerWaalsContact O-CG1 3.28Å; A198-I202 WeakPolarHBondContact O-CG1 3.32Å; A198-I202 PolarHBondContact O-N 3.32Å
199	N	89	Confident	84.3	Confident	68 Å²	68	63.1 Å²	63.1	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-38.8	177.8	-170.1	47.5	0	0	0	112.2	N196 L201 I202 L203	N196-N199 HydrophobicContact CB-CB 4.05Å; N196-N199 PolarHBondContact O-N 3Å; N196-N199 PolarHBondContact OD1-N 3.03Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 PolarHBondContact O-N 3.18Å; N199-I202 PolarHBondContact O-N 3.09Å; N199-L203 WeakPolarHBondContact O-CG 3.43Å; N199-L203 PolarHBondContact O-N 2.83Å
200	Y	89.8	Confident	84.7	Confident	61 Å²	61	59 Å²	59	24%	0.239	30%	0.3	C	S	.	.	H	α-helix	trans	-55.1	-48.5	172.5	177.2	-100.5	0	0	0	112.2	L186 P191 E194 N196 A198 L203 N204	L186-Y200 HydrophobicContact CD1-CD1 4.5Å; L186-Y200 HydrophobicContact CD1-CE1 3.62Å; P191-Y200 HydrophobicContact CG-CD1 4.13Å; P191-Y200 HydrophobicContact CG-CE1 4.02Å; P191-Y200 HydrophobicContact CG-CG 4.44Å; E194-Y200 WeakPolarHBondContact OE1-CD2 3.41Å; E194-Y200 VanDerWaalsContact OE1-CE2 3.23Å; E194-Y200 WeakPolarHBondContact OE1-CE2 3.26Å; E194-Y200 WeakPolarHBondContact OE2-CB 3.35Å; E194-Y200 WeakPolarHBondContact OE2-CD2 3.43Å; N196-Y200 PolarHBondContact O-N 2.98Å; N196-Y200 VanDerWaalsContact O-N 3.11Å; A198-Y200 VanDerWaalsContact C-N 3.34Å; A198-Y200 PolarHBondContact O-N 2.75Å; Y200-L203 PolarHBondContact O-N 3.21Å; Y200-N204 WeakPolarHBondContact CD2-ND2 3.25Å; Y200-N204 VanDerWaalsContact CE2-ND2 3.31Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.32Å; Y200-N204 PolarHBondContact O-N 3.24Å; Y200-N204 VanDerWaalsContact O-N 3.09Å; Y200-N204 PolarHBondContact O-ND2 2.96Å
201	L	92.3	Very high	85.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-41	177.7	-76.3	-177.4	0	0	0	112.1	L146 V149 I150 I153 L186 V190 P197 A198 N199 L203 N204 A205	L146-L201 HydrophobicContact CD1-CD1 3.6Å; V149-L201 HydrophobicContact CG1-CB 3.62Å; V149-L201 HydrophobicContact CG1-CD1 4.21Å; I150-L201 HydrophobicContact CG1-CD1 3.86Å; I153-L201 HydrophobicContact CD1-CB 3.9Å; I153-L201 HydrophobicContact CD1-CD1 4.3Å; I153-L201 HydrophobicContact CD1-CD2 4.2Å; I153-L201 HydrophobicContact CD1-CG 4.38Å; L186-L201 HydrophobicContact CD1-CD2 4.18Å; L186-L201 HydrophobicContact CD2-CD2 4.13Å; L186-L201 HydrophobicContact CG-CD2 3.76Å; V190-L201 HydrophobicContact CG1-CD1 4.46Å; V190-L201 HydrophobicContact CG2-CD1 4.12Å; V190-L201 HydrophobicContact CG2-CD2 4.13Å; V190-L201 HydrophobicContact CG2-CG 4.46Å; P197-L201 WeakPolarHBondContact O-CG 3.47Å; P197-L201 PolarHBondContact O-N 3.45Å; P197-L201 VanDerWaalsContact O-N 3.13Å; A198-L201 PolarHBondContact O-N 3.21Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 PolarHBondContact O-N 3.18Å; L201-L203 VanDerWaalsContact C-N 3.31Å; L201-L203 PolarHBondContact O-N 3.43Å; L201-N204 PolarHBondContact O-N 2.77Å; L201-A205 VanDerWaalsContact O-CB 3.29Å; L201-A205 WeakPolarHBondContact O-CB 3.21Å; L201-A205 PolarHBondContact O-N 3.42Å
202	I	92.1	Very high	86.8	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-43.2	177.2	-67.3	165.4	0	0	0	111.2	Y139 Q140 P144 V149 A198 N199 R206 I209	Y139-I202 HydrophobicContact CD1-CD1 4.09Å; Y139-I202 HydrophobicContact CD1-CG1 4.29Å; Y139-I202 HydrophobicContact CE1-CD1 3.96Å; Y139-I202 HydrophobicContact CE1-CG1 3.96Å; Q140-I202 HydrophobicContact CG-CG2 3.72Å; P144-I202 HydrophobicContact CG-CD1 4.17Å; V149-I202 HydrophobicContact CG1-CG1 4.02Å; V149-I202 HydrophobicContact CG2-CD1 4.04Å; V149-I202 HydrophobicContact CG2-CG1 3.99Å; A198-I202 VanDerWaalsContact O-CG1 3.28Å; A198-I202 WeakPolarHBondContact O-CG1 3.32Å; A198-I202 PolarHBondContact O-N 3.32Å; N199-I202 PolarHBondContact O-N 3.09Å; I202-R206 VanDerWaalsContact O-CA 3.27Å; I202-R206 WeakPolarHBondContact O-CA 3.26Å; I202-R206 WeakPolarHBondContact O-CB 3.32Å; I202-R206 PolarHBondContact O-N 3.02Å; I202-R206 VanDerWaalsContact O-N 3.11Å; I202-I209 HydrophobicContact CB-CD1 4.42Å; I202-I209 HydrophobicContact CG1-CD1 4.22Å
203	L	90.1	Very high	88.2	Confident	108 Å²	108	51.1 Å²	51.1	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-67.1	-43.1	179.1	-68.7	170.5	0	0	0	112.1	N199 Y200 L201	N199-L203 WeakPolarHBondContact O-CG 3.43Å; N199-L203 PolarHBondContact O-N 2.83Å; Y200-L203 PolarHBondContact O-N 3.21Å; L201-L203 VanDerWaalsContact C-N 3.31Å; L201-L203 PolarHBondContact O-N 3.43Å
204	N	91.4	Very high	89.5	Confident	64 Å²	64	44.2 Å²	44.2	34%	0.342	22%	0.219	S	C	.	.	H	α-helix	trans	-86.8	-16.1	-173.7	-72.5	-77.3	0	0	0	114.8	R182 L186 Y200 L201	R182-N204 PolarHBondContact NH1-O 3.32Å; R182-N204 PolarHBondContact NH2-O 3.31Å; R182-N204 VanDerWaalsContact NH2-O 3.07Å; L186-N204 HydrophobicContact CD1-CB 3.98Å; L186-N204 HydrophobicContact CD2-CB 3.67Å; L186-N204 HydrophobicContact CG-CB 4.5Å; Y200-N204 WeakPolarHBondContact CD2-ND2 3.25Å; Y200-N204 VanDerWaalsContact CE2-ND2 3.31Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.32Å; Y200-N204 PolarHBondContact O-N 3.24Å; Y200-N204 VanDerWaalsContact O-N 3.09Å; Y200-N204 PolarHBondContact O-ND2 2.96Å; L201-N204 PolarHBondContact O-N 2.77Å
205	A	93.7	Very high	90.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	20.6	177	0	0	0	0	0	113	I153 L183 L186 L201 D207 A208 I209	I153-A205 HydrophobicContact CD1-CB 3.51Å; I153-A205 HydrophobicContact CG1-CB 3.59Å; I153-A205 HydrophobicContact CG2-CB 4.13Å; L183-A205 HydrophobicContact CD2-CB 3.73Å; L186-A205 HydrophobicContact CD2-CB 3.95Å; L201-A205 VanDerWaalsContact O-CB 3.29Å; L201-A205 WeakPolarHBondContact O-CB 3.21Å; L201-A205 PolarHBondContact O-N 3.42Å; A205-D207 PolarHBondContact O-N 3.46Å; A205-A208 PolarHBondContact O-N 3.31Å; A205-A208 VanDerWaalsContact O-N 3.1Å; A205-I209 HydrophobicContact CB-CD1 4.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 3.42Å; A205-I209 VanDerWaalsContact O-N 3.08Å
206	R	93.6	Very high	92	Very high	94 Å²	94	36 Å²	36	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-43.7	-56.7	-176.3	-173.7	-175.6	172.5	149	-2.6	112.7	N133 I136 I202 A208 I209 A210	N133-R206 PolarHBondContact OD1-NH2 3.45Å; I136-R206 HydrophobicContact CD1-CB 4.33Å; I136-R206 HydrophobicContact CD1-CG 3.33Å; I136-R206 WeakPolarHBondContact CD1-O 3.4Å; I136-R206 HydrophobicContact CG2-CG 4.39Å; I202-R206 VanDerWaalsContact O-CA 3.27Å; I202-R206 WeakPolarHBondContact O-CA 3.26Å; I202-R206 WeakPolarHBondContact O-CB 3.32Å; I202-R206 PolarHBondContact O-N 3.02Å; I202-R206 VanDerWaalsContact O-N 3.11Å; R206-A208 VanDerWaalsContact C-N 3.33Å; R206-A208 PolarHBondContact O-N 3.43Å; R206-I209 PolarHBondContact O-N 3.17Å; R206-A210 WeakPolarHBondContact O-CB 3.42Å; R206-A210 PolarHBondContact O-N 3.34Å
207	D	91.8	Very high	92.5	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-36.2	-174.2	-65.9	-30.8	0	0	0	113.1	R129 A205 A210 D211	R129-D207 IonicContact NH1-OD1 3.57Å; A205-D207 PolarHBondContact O-N 3.46Å; D207-A210 PolarHBondContact O-N 3.1Å; D207-D211 PolarHBondContact O-N 2.82Å
208	A	93.6	Very high	92.9	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-39.2	178	0	0	0	0	0	112.1	L183 A205 R206 T212	L183-A208 HydrophobicContact CD1-CB 3.78Å; L183-A208 HydrophobicContact CD2-CB 4.3Å; A205-A208 PolarHBondContact O-N 3.31Å; A205-A208 VanDerWaalsContact O-N 3.1Å; R206-A208 VanDerWaalsContact C-N 3.33Å; R206-A208 PolarHBondContact O-N 3.43Å; A208-T212 PolarHBondContact O-N 3.37Å; A208-T212 PolarHBondContact O-OG1 3.19Å
209	I	95.8	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-45.3	173.2	-62.9	166.4	0	0	0	109.4	Y139 V149 I153 I202 A205 R206 D211 T212 L213	Y139-I209 HydrophobicContact CD1-CG2 4.14Å; Y139-I209 HydrophobicContact CE1-CG2 3.93Å; V149-I209 HydrophobicContact CG1-CD1 4.2Å; I153-I209 HydrophobicContact CD1-CD1 4.25Å; I153-I209 HydrophobicContact CG1-CD1 3.85Å; I153-I209 HydrophobicContact CG1-CG1 3.66Å; I202-I209 HydrophobicContact CB-CD1 4.42Å; I202-I209 HydrophobicContact CG1-CD1 4.22Å; A205-I209 HydrophobicContact CB-CD1 4.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 3.42Å; A205-I209 VanDerWaalsContact O-N 3.08Å; R206-I209 PolarHBondContact O-N 3.17Å; I209-D211 PolarHBondContact O-N 3.36Å; I209-T212 WeakPolarHBondContact O-CB 3.17Å; I209-T212 PolarHBondContact O-N 3.49Å; I209-T212 VanDerWaalsContact O-N 3.11Å; I209-L213 HydrophobicContact CG2-CD1 3.71Å; I209-L213 HydrophobicContact CG2-CG 4.05Å; I209-L213 WeakPolarHBondContact O-CG 3.06Å; I209-L213 PolarHBondContact O-N 3.38Å
210	A	94.7	Very high	93.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-56.6	-47.1	177.2	0	0	0	0	0	112.2	Q132 I136 R206 D207 T212 L213 D214	Q132-A210 HydrophobicContact CB-CB 3.79Å; Q132-A210 HydrophobicContact CG-CB 3.83Å; I136-A210 HydrophobicContact CD1-CB 3.44Å; I136-A210 VanDerWaalsContact CD1-CB 3.44Å; I136-A210 HydrophobicContact CG1-CB 3.93Å; R206-A210 WeakPolarHBondContact O-CB 3.42Å; R206-A210 PolarHBondContact O-N 3.34Å; D207-A210 PolarHBondContact O-N 3.1Å; A210-T212 VanDerWaalsContact C-N 3.28Å; A210-T212 PolarHBondContact O-N 3.22Å; A210-L213 PolarHBondContact O-N 3.4Å; A210-D214 WeakPolarHBondContact O-CB 3.38Å; A210-D214 PolarHBondContact O-N 3.16Å
211	D	93.1	Very high	93.5	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-35.3	177.8	-165.2	79	0	0	0	111.9	R159 K163 D207 I209 A215	R159-D211 WeakPolarHBondContact CD-OD2 3.47Å; R159-D211 IonicContact CZ-OD2 3.05Å; R159-D211 IonicContact NH1-OD2 3.54Å; R159-D211 PolarHBondContact NH1-OD2 3.3Å; K163-D211 IonicContact NZ-OD1 3.1Å; D207-D211 PolarHBondContact O-N 2.82Å; I209-D211 PolarHBondContact O-N 3.36Å; D211-A215 WeakPolarHBondContact O-CB 3.4Å; D211-A215 PolarHBondContact O-N 3.31Å; D211-A215 VanDerWaalsContact O-N 3.16Å
212	T	95.6	Very high	93.2	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-46.8	176.3	-60.8	0	0	0	0	111.8	D152 K155 G156 A208 I209 A210 A215 A216	D152-T212 HydrophobicContact CB-CG2 4.16Å; D152-T212 PolarHBondContact O-OG1 3.46Å; D152-T212 VanDerWaalsContact O-OG1 3.13Å; K155-T212 HydrophobicContact CB-CG2 3.74Å; K155-T212 HydrophobicContact CD-CG2 3.71Å; K155-T212 HydrophobicContact CG-CG2 4.41Å; G156-T212 WeakPolarHBondContact CA-OG1 3.42Å; G156-T212 PolarHBondContact N-OG1 3.12Å; G156-T212 VanDerWaalsContact N-OG1 3.12Å; A208-T212 PolarHBondContact O-N 3.37Å; A208-T212 PolarHBondContact O-OG1 3.19Å; I209-T212 WeakPolarHBondContact O-CB 3.17Å; I209-T212 PolarHBondContact O-N 3.49Å; I209-T212 VanDerWaalsContact O-N 3.11Å; A210-T212 VanDerWaalsContact C-N 3.28Å; A210-T212 PolarHBondContact O-N 3.22Å; T212-A215 PolarHBondContact O-N 3.14Å; T212-A216 PolarHBondContact O-N 2.86Å
213	L	95.9	Very high	93.2	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-42.6	178.1	-66.6	175.6	0	0	0	111.5	L135 I136 Y139 I209 A210 A215 A216 Y217	L135-L213 HydrophobicContact CB-CB 4.09Å; L135-L213 HydrophobicContact CB-CD1 4.4Å; L135-L213 HydrophobicContact CD1-CB 4.29Å; I136-L213 HydrophobicContact CG1-CD1 4.18Å; Y139-L213 HydrophobicContact CD1-CD1 4.48Å; Y139-L213 HydrophobicContact CD2-CD1 3.73Å; Y139-L213 HydrophobicContact CD2-CD2 3.74Å; Y139-L213 HydrophobicContact CD2-CG 4.32Å; Y139-L213 HydrophobicContact CE2-CD1 4.42Å; Y139-L213 HydrophobicContact CE2-CD2 3.97Å; Y139-L213 HydrophobicContact CG-CD1 3.75Å; I209-L213 HydrophobicContact CG2-CD1 3.71Å; I209-L213 HydrophobicContact CG2-CG 4.05Å; I209-L213 WeakPolarHBondContact O-CG 3.06Å; I209-L213 PolarHBondContact O-N 3.38Å; A210-L213 PolarHBondContact O-N 3.4Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 2.86Å; L213-A216 PolarHBondContact O-N 2.69Å; L213-A216 VanDerWaalsContact O-N 3.13Å; L213-Y217 HydrophobicContact CD2-CD2 4.08Å; L213-Y217 HydrophobicContact CD2-CE2 4.03Å; L213-Y217 WeakPolarHBondContact O-CB 3.49Å; L213-Y217 PolarHBondContact O-N 3.47Å
214	D	94.4	Very high	93.3	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-40.4	177.9	-171.1	68.4	0	0	0	111.3	R131 Q132 L135 A210 A216 G218	R131-D214 WeakPolarHBondContact CB-OD1 3.12Å; R131-D214 IonicContact CZ-OD1 3.12Å; R131-D214 IonicContact CZ-OD2 3.33Å; R131-D214 IonicContact NE-OD1 3.04Å; R131-D214 PolarHBondContact NE-OD1 3.44Å; R131-D214 IonicContact NE-OD2 2.95Å; R131-D214 IonicContact NH2-OD1 3.73Å; R131-D214 PolarHBondContact NH2-OD1 3.37Å; R131-D214 IonicContact NH2-OD2 2.87Å; R131-D214 PolarHBondContact NH2-OD2 3.34Å; Q132-D214 HydrophobicContact CG-CB 3.89Å; L135-D214 HydrophobicContact CD1-CB 4.44Å; A210-D214 WeakPolarHBondContact O-CB 3.38Å; A210-D214 PolarHBondContact O-N 3.16Å; D214-A216 VanDerWaalsContact C-N 3.35Å; D214-A216 PolarHBondContact O-N 3.42Å; D214-G218 WeakPolarHBondContact O-CA 3.31Å; D214-G218 PolarHBondContact O-N 3.12Å
215	A	92.5	Very high	93.5	Very high	53 Å²	53	49.2 Å²	49.2	44%	0.438	28%	0.281	S	S	.	.	H	α-helix	trans	-65.9	-35.2	175.5	0	0	0	0	0	114.1	D211 T212 L213	D211-A215 WeakPolarHBondContact O-CB 3.4Å; D211-A215 PolarHBondContact O-N 3.31Å; D211-A215 VanDerWaalsContact O-N 3.16Å; T212-A215 PolarHBondContact O-N 3.14Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 2.86Å
216	A	93.8	Very high	93.5	Very high	65 Å²	65	50.6 Å²	50.6	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-83.8	-37.8	-178	0	0	0	0	0	112.7	T212 L213 D214	T212-A216 PolarHBondContact O-N 2.86Å; L213-A216 PolarHBondContact O-N 2.69Å; L213-A216 VanDerWaalsContact O-N 3.13Å; D214-A216 VanDerWaalsContact C-N 3.35Å; D214-A216 PolarHBondContact O-N 3.42Å
217	Y	95	Very high	93.6	Very high	138 Å²	138	46.4 Å²	46.4	54%	0.541	27%	0.273	S	S	.	.	H	α-helix	trans	-128	-7	-166.1	-56	-66.6	0	0	0	114	L213 A219 S220	L213-Y217 HydrophobicContact CD2-CD2 4.08Å; L213-Y217 HydrophobicContact CD2-CE2 4.03Å; L213-Y217 WeakPolarHBondContact O-CB 3.49Å; L213-Y217 PolarHBondContact O-N 3.47Å; Y217-A219 PolarHBondContact O-N 3.47Å; Y217-A219 VanDerWaalsContact O-N 3.13Å; Y217-S220 WeakPolarHBondContact O-CB 3.46Å; Y217-S220 PolarHBondContact O-N 3.27Å; Y217-S220 PolarHBondContact O-OG 3.25Å
218	G	93	Very high	93.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.3	-178.2	0	0	0	0	0	113.1	R131 D214 S220 I221 G341	R131-G218 VanDerWaalsContact CD-O 3.27Å; R131-G218 WeakPolarHBondContact CD-O 3.36Å; D214-G218 WeakPolarHBondContact O-CA 3.31Å; D214-G218 PolarHBondContact O-N 3.12Å; G218-S220 PolarHBondContact O-N 3.29Å; G218-I221 PolarHBondContact O-N 3.43Å; G218-G341 WeakPolarHBondContact O-CA 3.4Å
219	A	93.6	Very high	93.9	Very high	67 Å²	67	50.2 Å²	50.2	55%	0.554	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.7	-20.8	176.1	0	0	0	0	0	114.5	Y217 I221 P340 G341	Y217-A219 PolarHBondContact O-N 3.47Å; Y217-A219 VanDerWaalsContact O-N 3.13Å; A219-I221 VanDerWaalsContact C-N 3.34Å; A219-P340 HydrophobicContact CB-CB 4.24Å; A219-P340 CarbonylContact O-C 3.4Å; A219-G341 PolarHBondContact O-N 3.46Å
220	S	93.5	Very high	93.9	Very high	82 Å²	82	51 Å²	51	57%	0.573	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-81.9	-12.1	178.5	71.2	0	0	0	0	113.6	Y217 G218 S222	Y217-S220 WeakPolarHBondContact O-CB 3.46Å; Y217-S220 PolarHBondContact O-N 3.27Å; Y217-S220 PolarHBondContact O-OG 3.25Å; G218-S220 PolarHBondContact O-N 3.29Å; S220-S222 PolarHBondContact O-N 3.4Å
221	I	93.2	Very high	94.1	Very high	11 Å²	11	51 Å²	51	6%	0.056	30%	0.302	C	S	.	.			trans	-85.2	101.1	-177	-53.3	-50.2	0	0	0	110	R131 H134 L135 G218 A219 I226 F227 G341	R131-I221 HydrophobicContact CG-CB 4.06Å; R131-I221 HydrophobicContact CG-CG1 4.21Å; R131-I221 HydrophobicContact CG-CG2 4.17Å; H134-I221 VanDerWaalsContact CD2-CD1 3.48Å; H134-I221 WeakPolarHBondContact CD2-CD1 3.26Å; L135-I221 HydrophobicContact CD2-CD1 4.03Å; L135-I221 HydrophobicContact CD2-CG1 4.44Å; L135-I221 HydrophobicContact CG-CD1 4.46Å; L135-I221 HydrophobicContact CG-CG1 4.47Å; G218-I221 PolarHBondContact O-N 3.43Å; A219-I221 VanDerWaalsContact C-N 3.34Å; I221-I226 HydrophobicContact CG2-CD1 3.67Å; I221-I226 HydrophobicContact CG2-CG2 4.3Å; I221-F227 HydrophobicContact CG2-CZ 4.1Å; I221-G341 CarbonylContact O-C 3.59Å; I221-G341 VanDerWaalsContact O-CA 3.23Å; I221-G341 WeakPolarHBondContact O-CA 3.38Å
222	S	87.9	Confident	94.3	Very high	102 Å²	102	53.9 Å²	53.9	71%	0.713	31%	0.311	S	S	*	.			trans	-110.2	-10.5	-177.3	60	0	0	0	0	114.9	S220 H224	S220-S222 PolarHBondContact O-N 3.4Å; S222-H224 PolarHBondContact O-N 3.09Å
223	D	91.8	Very high	94.4	Very high	74 Å²	74	58.1 Å²	58.1	40%	0.396	33%	0.33	S	S	.	.			trans	-75.6	120.4	-175.6	-175	2.4	0	0	0	111.3	Q225 I226 F227	D223-Q225 PolarHBondContact O-N 3.13Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.2Å; D223-Q225 PolarHBondContact OD1-N 2.96Å; D223-I226 HydrophobicContact CB-CD1 3.87Å; D223-I226 HydrophobicContact CB-CG1 4.11Å; D223-I226 PolarHBondContact O-N 3.33Å; D223-F227 VanDerWaalsContact O-CD2 3.31Å; D223-F227 WeakPolarHBondContact O-CD2 3.29Å; D223-F227 WeakPolarHBondContact O-CE2 3.47Å
224	H	92.1	Very high	94.5	Very high	71 Å²	71	58.7 Å²	58.7	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-33.2	176.5	-87.7	-157.9	0	0	0	112.7	S222 I226 F227 E228 P343 S344	S222-H224 PolarHBondContact O-N 3.09Å; H224-I226 PolarHBondContact O-N 3.46Å; H224-F227 PolarHBondContact O-N 2.95Å; H224-F227 VanDerWaalsContact O-N 3.11Å; H224-E228 PolarHBondContact O-N 3.37Å; H224-P343 WeakPolarHBondContact NE2-CA 3.46Å; H224-S344 PolarHBondContact CE1-O 2.82Å; H224-S344 VanDerWaalsContact CE1-O 3.24Å; H224-S344 PolarHBondContact NE2-N 2.63Å; H224-S344 VanDerWaalsContact NE2-N 3.15Å; H224-S344 PolarHBondContact NE2-O 3.35Å
225	Q	94.3	Very high	94.7	Very high	139 Å²	139	58.3 Å²	58.3	65%	0.65	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-27.9	-177.4	-63.9	-173	-8.7	0	0	112.4	D223 A229	D223-Q225 PolarHBondContact O-N 3.13Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.2Å; D223-Q225 PolarHBondContact OD1-N 2.96Å; Q225-A229 WeakPolarHBondContact O-CB 3.43Å; Q225-A229 PolarHBondContact O-N 2.99Å
226	I	94.4	Very high	95	Very high	30 Å²	30	62.8 Å²	62.8	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-41.5	177.3	-65.8	170.8	0	0	0	110.9	A130 H134 I221 D223 H224	A130-I226 HydrophobicContact CB-CG2 4.23Å; H134-I226 HydrophobicContact CB-CG2 3.86Å; I221-I226 HydrophobicContact CG2-CD1 3.67Å; I221-I226 HydrophobicContact CG2-CG2 4.3Å; D223-I226 HydrophobicContact CB-CD1 3.87Å; D223-I226 HydrophobicContact CB-CG1 4.11Å; D223-I226 PolarHBondContact O-N 3.33Å; H224-I226 PolarHBondContact O-N 3.46Å
227	F	95.3	Very high	95.1	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-74.5	-45.6	179.2	-53.7	-73.8	0	0	0	111.2	I127 A130 R131 I221 D223 H224 L230 A231 P343	I127-F227 HydrophobicContact CB-CD1 4.41Å; I127-F227 HydrophobicContact CB-CE1 4.27Å; I127-F227 HydrophobicContact CG1-CD1 4.4Å; I127-F227 HydrophobicContact CG2-CD1 4.43Å; I127-F227 HydrophobicContact CG2-CE1 3.81Å; A130-F227 HydrophobicContact CB-CD1 3.63Å; A130-F227 HydrophobicContact CB-CE1 4.24Å; A130-F227 HydrophobicContact CB-CG 4.42Å; R131-F227 HydrophobicContact CG-CE1 3.87Å; R131-F227 HydrophobicContact CG-CZ 4.22Å; I221-F227 HydrophobicContact CG2-CZ 4.1Å; D223-F227 VanDerWaalsContact O-CD2 3.31Å; D223-F227 WeakPolarHBondContact O-CD2 3.29Å; D223-F227 WeakPolarHBondContact O-CE2 3.47Å; H224-F227 PolarHBondContact O-N 2.95Å; H224-F227 VanDerWaalsContact O-N 3.11Å; F227-L230 PolarHBondContact O-N 3.43Å; F227-A231 PolarHBondContact O-N 3.32Å; F227-P343 HydrophobicContact CD1-CG 4.48Å; F227-P343 HydrophobicContact CD2-CB 3.92Å; F227-P343 HydrophobicContact CD2-CG 4.03Å; F227-P343 HydrophobicContact CE2-CB 4.26Å; F227-P343 HydrophobicContact CE2-CG 4.36Å; F227-P343 HydrophobicContact CG-CB 4.41Å; F227-P343 HydrophobicContact CG-CG 4.09Å
228	E	95.6	Very high	95.3	Very high	97 Å²	97	55.4 Å²	55.4	45%	0.453	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-45.8	179.1	-175.1	178.7	179.5	0	0	111.4	H224 L230 A231 R232	H224-E228 PolarHBondContact O-N 3.37Å; E228-L230 VanDerWaalsContact C-N 3.28Å; E228-L230 PolarHBondContact O-N 3.34Å; E228-A231 PolarHBondContact O-N 2.72Å; E228-A231 VanDerWaalsContact O-N 3.14Å; E228-R232 HydrophobicContact CG-CG 3.9Å; E228-R232 WeakPolarHBondContact O-CB 3.29Å; E228-R232 VanDerWaalsContact O-CG 3.25Å; E228-R232 WeakPolarHBondContact O-CG 3.42Å; E228-R232 PolarHBondContact O-N 2.98Å; E228-R232 IonicContact OE1-NE 2.69Å
229	A	96.7	Very high	95.5	Very high	63 Å²	63	58.5 Å²	58.5	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-38.8	-178.9	0	0	0	0	0	112.6	Q225 H233	Q225-A229 WeakPolarHBondContact O-CB 3.43Å; Q225-A229 PolarHBondContact O-N 2.99Å; A229-H233 WeakPolarHBondContact O-CB 3.37Å; A229-H233 PolarHBondContact O-N 2.89Å
230	L	96.6	Very high	95.8	Very high	18 Å²	18	57.9 Å²	57.9	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-50.4	175.2	-171.7	91.8	0	0	0	111	I126 R129 A130 N133 F227 E228 H233 F234	I126-L230 HydrophobicContact CG2-CD2 4.17Å; R129-L230 HydrophobicContact CB-CD2 3.89Å; R129-L230 HydrophobicContact CG-CD1 4.25Å; R129-L230 HydrophobicContact CG-CD2 3.94Å; A130-L230 HydrophobicContact CB-CB 4.13Å; A130-L230 HydrophobicContact CB-CD2 4.03Å; N133-L230 WeakPolarHBondContact ND2-CD1 3.37Å; F227-L230 PolarHBondContact O-N 3.43Å; E228-L230 VanDerWaalsContact C-N 3.28Å; E228-L230 PolarHBondContact O-N 3.34Å; L230-H233 WeakPolarHBondContact O-CB 3.43Å; L230-H233 PolarHBondContact O-N 3.07Å; L230-F234 HydrophobicContact CD1-CD2 4.32Å; L230-F234 HydrophobicContact CD1-CE2 3.78Å; L230-F234 HydrophobicContact CG-CD2 4.01Å; L230-F234 HydrophobicContact CG-CE2 3.98Å; L230-F234 WeakPolarHBondContact O-CD2 3.39Å; L230-F234 PolarHBondContact O-N 3.33Å; L230-F234 VanDerWaalsContact O-N 3.11Å
231	A	97.4	Very high	96	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-45.5	-178.4	0	0	0	0	0	111.4	V83 D121 I126 F227 E228 H233 F234 E235	V83-A231 HydrophobicContact CG2-CB 3.8Å; V83-A231 WeakPolarHBondContact CG2-O 3.27Å; D121-A231 HydrophobicContact CB-CB 3.84Å; D121-A231 WeakPolarHBondContact O-CB 3.49Å; I126-A231 HydrophobicContact CG2-CB 4.43Å; F227-A231 PolarHBondContact O-N 3.32Å; E228-A231 PolarHBondContact O-N 2.72Å; E228-A231 VanDerWaalsContact O-N 3.14Å; A231-H233 VanDerWaalsContact C-N 3.32Å; A231-H233 PolarHBondContact O-N 3.47Å; A231-F234 PolarHBondContact O-N 3.19Å; A231-E235 VanDerWaalsContact O-CB 3.23Å; A231-E235 WeakPolarHBondContact O-CB 3.37Å; A231-E235 PolarHBondContact O-N 3.48Å
232	R	97.8	Very high	96.2	Very high	79 Å²	79	54.1 Å²	54.1	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-37.9	176.8	-66.4	-59.6	-176.6	-178.5	-1.4	112.7	E228 E235 K236 E258	E228-R232 HydrophobicContact CG-CG 3.9Å; E228-R232 WeakPolarHBondContact O-CB 3.29Å; E228-R232 VanDerWaalsContact O-CG 3.25Å; E228-R232 WeakPolarHBondContact O-CG 3.42Å; E228-R232 PolarHBondContact O-N 2.98Å; E228-R232 IonicContact OE1-NE 2.69Å; R232-E235 IonicContact CZ-OE2 3.67Å; R232-E235 IonicContact NH1-OE2 3.04Å; R232-E235 PolarHBondContact NH1-OE2 3.13Å; R232-K236 WeakPolarHBondContact O-CB 3.44Å; R232-K236 PolarHBondContact O-N 3.16Å; R232-K236 VanDerWaalsContact O-N 3.13Å; R232-E258 IonicContact NH2-OE1 2.7Å; R232-E258 PolarHBondContact NH2-OE1 3.3Å
233	H	97.9	Very high	96.7	Very high	99 Å²	99	56.4 Å²	56.4	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-53.7	175.3	176.4	70.2	0	0	0	111.2	A229 L230 A231 K236 E237	A229-H233 WeakPolarHBondContact O-CB 3.37Å; A229-H233 PolarHBondContact O-N 2.89Å; L230-H233 WeakPolarHBondContact O-CB 3.43Å; L230-H233 PolarHBondContact O-N 3.07Å; A231-H233 VanDerWaalsContact C-N 3.32Å; A231-H233 PolarHBondContact O-N 3.47Å; H233-K236 PolarHBondContact O-N 3.21Å; H233-E237 VanDerWaalsContact O-CG 3.27Å; H233-E237 WeakPolarHBondContact O-CG 3.4Å; H233-E237 PolarHBondContact O-N 2.77Å; H233-E237 VanDerWaalsContact O-N 3.1Å
234	F	97.8	Very high	97	Very high	20 Å²	20	55.9 Å²	55.9	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-75	-25.4	-177.6	-71.2	-62.4	0	0	0	114	V83 Y84 D85 V86 L230 A231 E237 Y238	V83-F234 HydrophobicContact CB-CB 4.04Å; Y84-F234 WeakPolarHBondContact O-CD2 3.26Å; Y84-F234 WeakPolarHBondContact O-CE2 3.33Å; D85-F234 VanDerWaalsContact C-CD1 3.42Å; D85-F234 HydrophobicContact CB-CZ 4.48Å; V86-F234 HydrophobicContact CG1-CD1 4.41Å; V86-F234 HydrophobicContact CG1-CE1 3.93Å; L230-F234 HydrophobicContact CD1-CD2 4.32Å; L230-F234 HydrophobicContact CD1-CE2 3.78Å; L230-F234 HydrophobicContact CG-CD2 4.01Å; L230-F234 HydrophobicContact CG-CE2 3.98Å; L230-F234 WeakPolarHBondContact O-CD2 3.39Å; L230-F234 PolarHBondContact O-N 3.33Å; L230-F234 VanDerWaalsContact O-N 3.11Å; A231-F234 PolarHBondContact O-N 3.19Å; F234-E237 PolarHBondContact O-N 2.84Å; F234-Y238 VanDerWaalsContact O-CB 3.26Å; F234-Y238 WeakPolarHBondContact O-CB 3.37Å; F234-Y238 PolarHBondContact O-N 2.99Å
235	E	98.2	Very high	97.3	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-49.8	167.4	-177.9	-170.1	172.1	0	0	110.5	V83 I119 A231 R232 E237 Y238 L239 R255	V83-E235 HydrophobicContact CG1-CB 4.16Å; I119-E235 HydrophobicContact CD1-CG 4.46Å; I119-E235 HydrophobicContact CG1-CG 4.28Å; I119-E235 HydrophobicContact CG2-CG 4.25Å; A231-E235 VanDerWaalsContact O-CB 3.23Å; A231-E235 WeakPolarHBondContact O-CB 3.37Å; A231-E235 PolarHBondContact O-N 3.48Å; R232-E235 IonicContact CZ-OE2 3.67Å; R232-E235 IonicContact NH1-OE2 3.04Å; R232-E235 PolarHBondContact NH1-OE2 3.13Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 2.89Å; E235-Y238 WeakPolarHBondContact O-CB 3.35Å; E235-Y238 PolarHBondContact O-N 3.36Å; E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.41Å; E235-L239 PolarHBondContact O-N 3.17Å; E235-R255 VanDerWaalsContact CD-NE 3.3Å; E235-R255 IonicContact OE1-CZ 2.71Å; E235-R255 IonicContact OE1-NE 3.71Å; E235-R255 PolarHBondContact OE1-NE 2.62Å; E235-R255 IonicContact OE1-NH2 3.7Å; E235-R255 PolarHBondContact OE1-NH2 3.21Å; E235-R255 IonicContact OE2-NE 3.58Å; E235-R255 PolarHBondContact OE2-NE 2.9Å; E235-R255 VanDerWaalsContact OE2-NE 3.13Å
236	K	98.3	Very high	97.4	Very high	147 Å²	147	49 Å²	49	64%	0.639	25%	0.249	S	C	*	.	H	α-helix	trans	-59.9	-45.8	177.8	-177.9	-179.4	178.3	-179.4	0	111.5	R232 H233 Y238 L239 V240	R232-K236 WeakPolarHBondContact O-CB 3.44Å; R232-K236 PolarHBondContact O-N 3.16Å; R232-K236 VanDerWaalsContact O-N 3.13Å; H233-K236 PolarHBondContact O-N 3.21Å; K236-Y238 VanDerWaalsContact C-N 3.34Å; K236-Y238 PolarHBondContact O-N 3.41Å; K236-L239 PolarHBondContact O-N 3.25Å; K236-V240 WeakPolarHBondContact O-CG2 3.4Å; K236-V240 PolarHBondContact O-N 3.35Å; K236-V240 VanDerWaalsContact O-N 3.08Å
237	E	97.8	Very high	97.6	Very high	41 Å²	41	48.9 Å²	48.9	19%	0.192	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-43.5	178.1	-64.6	-80.7	95.6	0	0	111.6	H233 F234 E235 V240 D241 R430	H233-E237 VanDerWaalsContact O-CG 3.27Å; H233-E237 WeakPolarHBondContact O-CG 3.4Å; H233-E237 PolarHBondContact O-N 2.77Å; H233-E237 VanDerWaalsContact O-N 3.1Å; F234-E237 PolarHBondContact O-N 2.84Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 2.89Å; E237-V240 PolarHBondContact O-N 2.92Å; E237-D241 VanDerWaalsContact O-CG 3.26Å; E237-D241 PolarHBondContact O-N 3.45Å; E237-R430 IonicContact OE1-CZ 3.59Å; E237-R430 IonicContact OE1-NH1 3.8Å; E237-R430 PolarHBondContact OE1-NH1 2.89Å; E237-R430 IonicContact OE1-NH2 3.71Å; E237-R430 PolarHBondContact OE1-NH2 3.12Å; E237-R430 IonicContact OE2-CZ 2.67Å; E237-R430 IonicContact OE2-NH1 2.71Å; E237-R430 PolarHBondContact OE2-NH1 3.22Å; E237-R430 IonicContact OE2-NH2 2.86Å; E237-R430 PolarHBondContact OE2-NH2 3.11Å
238	Y	98	Very high	97.7	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-47.6	174.8	163.8	-100.9	0	0	0	112	P81 Y95 L117 I119 F234 E235 K236 V240 D241 M242	P81-Y238 HydrophobicContact CB-CD2 4.38Å; P81-Y238 HydrophobicContact CB-CE2 4.36Å; P81-Y238 HydrophobicContact CG-CD1 3.89Å; P81-Y238 HydrophobicContact CG-CD2 3.79Å; P81-Y238 HydrophobicContact CG-CE1 3.82Å; P81-Y238 HydrophobicContact CG-CE2 3.7Å; P81-Y238 HydrophobicContact CG-CG 3.88Å; Y95-Y238 AromaticContact CD2-CE2 3.9Å; Y95-Y238 HydrophobicContact CD2-CE2 3.9Å; Y95-Y238 AromaticContact CE2-CE2 3.62Å; Y95-Y238 HydrophobicContact CE2-CE2 3.62Å; L117-Y238 HydrophobicContact CD2-CE1 4.38Å; I119-Y238 HydrophobicContact CD1-CD1 4.11Å; I119-Y238 HydrophobicContact CD1-CE1 3.99Å; F234-Y238 VanDerWaalsContact O-CB 3.26Å; F234-Y238 WeakPolarHBondContact O-CB 3.37Å; F234-Y238 PolarHBondContact O-N 2.99Å; E235-Y238 WeakPolarHBondContact O-CB 3.35Å; E235-Y238 PolarHBondContact O-N 3.36Å; K236-Y238 VanDerWaalsContact C-N 3.34Å; K236-Y238 PolarHBondContact O-N 3.41Å; Y238-V240 VanDerWaalsContact C-N 3.32Å; Y238-V240 PolarHBondContact O-N 3.45Å; Y238-D241 WeakPolarHBondContact O-CB 3.41Å; Y238-D241 PolarHBondContact O-N 3.4Å; Y238-D241 VanDerWaalsContact O-N 3.15Å; Y238-M242 HydrophobicContact CD1-CG 4.37Å; Y238-M242 HydrophobicContact CD2-CE 3.9Å; Y238-M242 HydrophobicContact CD2-CG 4Å; Y238-M242 HydrophobicContact CD2-SD 4.28Å; Y238-M242 HydrophobicContact CE1-CG 3.9Å; Y238-M242 HydrophobicContact CE2-CE 3.64Å; Y238-M242 HydrophobicContact CE2-CG 3.49Å; Y238-M242 VanDerWaalsContact CE2-CG 3.49Å; Y238-M242 HydrophobicContact CE2-SD 3.51Å; Y238-M242 VanDerWaalsContact CE2-SD 3.51Å; Y238-M242 HydrophobicContact CG-CG 4.42Å; Y238-M242 VanDerWaalsContact CZ-CG 3.44Å; Y238-M242 WeakPolarHBondContact O-CG 3.3Å; Y238-M242 PolarHBondContact O-N 3.05Å
239	L	98.1	Very high	97.9	Very high	65 Å²	65	50.7 Å²	50.7	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-40.2	-179.9	-69.2	173.1	0	0	0	111.8	E235 K236 M242 E243 L253	E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.41Å; E235-L239 PolarHBondContact O-N 3.17Å; K236-L239 PolarHBondContact O-N 3.25Å; L239-M242 PolarHBondContact O-N 2.93Å; L239-E243 WeakPolarHBondContact O-CB 3.5Å; L239-E243 PolarHBondContact O-N 3.35Å; L239-L253 HydrophobicContact CD1-CD2 4.43Å; L239-L253 HydrophobicContact CD2-CD2 4.3Å
240	V	98.3	Very high	98	Very high	54 Å²	54	49.2 Å²	49.2	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-43	173.6	171.4	0	0	0	0	111.2	K236 E237 Y238 E243 C244	K236-V240 WeakPolarHBondContact O-CG2 3.4Å; K236-V240 PolarHBondContact O-N 3.35Å; K236-V240 VanDerWaalsContact O-N 3.08Å; E237-V240 PolarHBondContact O-N 2.92Å; Y238-V240 VanDerWaalsContact C-N 3.32Å; Y238-V240 PolarHBondContact O-N 3.45Å; V240-E243 PolarHBondContact O-N 2.89Å; V240-C244 WeakPolarHBondContact O-CB 3.43Å; V240-C244 PolarHBondContact O-N 3Å; V240-C244 PolarHBondContact O-SG 3.03Å
241	D	98.3	Very high	98	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-40.2	177.8	-70.3	-9.4	0	0	0	111.5	E237 Y238 C244 L245 I429 R430	E237-D241 VanDerWaalsContact O-CG 3.26Å; E237-D241 PolarHBondContact O-N 3.45Å; Y238-D241 WeakPolarHBondContact O-CB 3.41Å; Y238-D241 PolarHBondContact O-N 3.4Å; Y238-D241 VanDerWaalsContact O-N 3.15Å; D241-C244 PolarHBondContact O-N 2.91Å; D241-L245 WeakPolarHBondContact O-CG 3.49Å; D241-L245 PolarHBondContact O-N 3.27Å; D241-L245 VanDerWaalsContact O-N 3.16Å; D241-I429 HydrophobicContact CB-CB 4.31Å; D241-I429 HydrophobicContact CB-CD1 4Å; D241-I429 HydrophobicContact CB-CG2 4.12Å; D241-R430 VanDerWaalsContact OD1-CG 3.31Å; D241-R430 WeakPolarHBondContact OD1-CG 3.48Å; D241-R430 IonicContact OD1-CZ 3.82Å; D241-R430 IonicContact OD1-NE 2.65Å; D241-R430 PolarHBondContact OD1-NE 3.45Å; D241-R430 IonicContact OD1-NH2 3.79Å
242	M	98.3	Very high	98.1	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-41.7	176.4	-65.6	-53.3	96.9	0	0	112	Y95 Y238 L239 L245 N246 I247 I429	Y95-M242 HydrophobicContact CD2-CE 4.28Å; Y95-M242 HydrophobicContact CD2-SD 3.7Å; Y95-M242 HydrophobicContact CG-SD 3.95Å; Y238-M242 HydrophobicContact CD1-CG 4.37Å; Y238-M242 HydrophobicContact CD2-CE 3.9Å; Y238-M242 HydrophobicContact CD2-CG 4Å; Y238-M242 HydrophobicContact CD2-SD 4.28Å; Y238-M242 HydrophobicContact CE1-CG 3.9Å; Y238-M242 HydrophobicContact CE2-CE 3.64Å; Y238-M242 HydrophobicContact CE2-CG 3.49Å; Y238-M242 VanDerWaalsContact CE2-CG 3.49Å; Y238-M242 HydrophobicContact CE2-SD 3.51Å; Y238-M242 VanDerWaalsContact CE2-SD 3.51Å; Y238-M242 HydrophobicContact CG-CG 4.42Å; Y238-M242 VanDerWaalsContact CZ-CG 3.44Å; Y238-M242 WeakPolarHBondContact O-CG 3.3Å; Y238-M242 PolarHBondContact O-N 3.05Å; L239-M242 PolarHBondContact O-N 2.93Å; M242-L245 HydrophobicContact CE-CD1 4.18Å; M242-L245 CarbonylContact O-C 3.52Å; M242-L245 PolarHBondContact O-N 2.92Å; M242-L245 VanDerWaalsContact O-N 3.16Å; M242-N246 PolarHBondContact O-N 3.47Å; M242-I247 HydrophobicContact CB-CB 4.27Å; M242-I247 HydrophobicContact CB-CD1 4.28Å; M242-I247 HydrophobicContact CE-CD1 4.48Å; M242-I247 HydrophobicContact CG-CD1 4.41Å; M242-I247 WeakPolarHBondContact O-CB 3.39Å; M242-I247 PolarHBondContact O-N 3.23Å; M242-I247 VanDerWaalsContact O-N 3.09Å; M242-I247 HydrophobicContact SD-CD1 3.4Å; M242-I247 WeakPolarHBondContact SD-CD1 3.43Å; M242-I429 HydrophobicContact CE-CD1 3.64Å
243	E	97.9	Very high	98.1	Very high	149 Å²	149	52.1 Å²	52.1	70%	0.696	28%	0.279	S	S	*	.	H	α-helix	trans	-61.2	-45.3	174.9	-177.2	176.9	-161.2	0	0	111.1	L239 V240 L245 N246	L239-E243 WeakPolarHBondContact O-CB 3.5Å; L239-E243 PolarHBondContact O-N 3.35Å; V240-E243 PolarHBondContact O-N 2.89Å; E243-L245 PolarHBondContact O-N 3.46Å; E243-N246 PolarHBondContact O-N 2.69Å
244	C	97.8	Very high	98.1	Very high	63 Å²	63	47.7 Å²	47.7	43%	0.426	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-28.4	175.9	-73.4	0	0	0	0	112.8	V240 D241 N246 L433 S438	V240-C244 WeakPolarHBondContact O-CB 3.43Å; V240-C244 PolarHBondContact O-N 3Å; V240-C244 PolarHBondContact O-SG 3.03Å; D241-C244 PolarHBondContact O-N 2.91Å; C244-N246 VanDerWaalsContact C-N 3.3Å; C244-L433 HydrophobicContact CB-CD1 3.75Å; C244-S438 WeakPolarHBondContact O-CB 3.48Å; C244-S438 PolarHBondContact O-OG 3.21Å
245	L	97.9	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7	175.4	-68.1	172.5	0	0	0	114.2	A92 V96 D241 M242 E243 I247 I429 S438 I441 R442	A92-L245 HydrophobicContact CB-CD1 3.69Å; V96-L245 HydrophobicContact CG2-CB 4.45Å; D241-L245 WeakPolarHBondContact O-CG 3.49Å; D241-L245 PolarHBondContact O-N 3.27Å; D241-L245 VanDerWaalsContact O-N 3.16Å; M242-L245 HydrophobicContact CE-CD1 4.18Å; M242-L245 CarbonylContact O-C 3.52Å; M242-L245 PolarHBondContact O-N 2.92Å; M242-L245 VanDerWaalsContact O-N 3.16Å; E243-L245 PolarHBondContact O-N 3.46Å; L245-I247 VanDerWaalsContact C-N 3.26Å; L245-I247 HydrophobicContact CB-CD1 3.97Å; L245-I247 HydrophobicContact CB-CG1 4.18Å; L245-I247 HydrophobicContact CD1-CD1 4.33Å; L245-I247 PolarHBondContact O-N 3.2Å; L245-I429 HydrophobicContact CD1-CD1 3.87Å; L245-I429 HydrophobicContact CD1-CG1 4.32Å; L245-I429 HydrophobicContact CD1-CG2 3.81Å; L245-I429 HydrophobicContact CD2-CG2 4.18Å; L245-I429 HydrophobicContact CG-CG2 3.97Å; L245-S438 VanDerWaalsContact CA-OG 3.28Å; L245-S438 WeakPolarHBondContact CA-OG 3.14Å; L245-I441 HydrophobicContact CD2-CB 4.38Å; L245-I441 HydrophobicContact CD2-CD1 4.16Å; L245-I441 HydrophobicContact CD2-CG2 3.99Å; L245-R442 PolarHBondContact O-NH1 3.18Å
246	N	97.9	Very high	98.1	Very high	67 Å²	67	48.2 Å²	48.2	36%	0.358	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	36.9	-177.2	-168.1	22.8	0	0	0	113	R103 M242 E243 C244 R442 G574	R103-N246 PolarHBondContact NH2-O 3.43Å; R103-N246 PolarHBondContact NH2-OD1 2.95Å; M242-N246 PolarHBondContact O-N 3.47Å; E243-N246 PolarHBondContact O-N 2.69Å; C244-N246 VanDerWaalsContact C-N 3.3Å; N246-R442 PolarHBondContact O-NH1 2.97Å; N246-G574 PolarHBondContact ND2-O 3.09Å
247	I	98.4	Very high	98.1	Very high	27 Å²	27	43.1 Å²	43.1	14%	0.138	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-84.6	131	174.7	-67.8	164.9	0	0	0	109	V96 D99 M242 L245	V96-I247 HydrophobicContact CG2-CD1 3.99Å; V96-I247 HydrophobicContact CG2-CG1 4.25Å; D99-I247 HydrophobicContact CB-CB 4.5Å; D99-I247 HydrophobicContact CB-CG1 4.16Å; D99-I247 HydrophobicContact CB-CG2 4.14Å; M242-I247 HydrophobicContact CB-CB 4.27Å; M242-I247 HydrophobicContact CB-CD1 4.28Å; M242-I247 HydrophobicContact CE-CD1 4.48Å; M242-I247 HydrophobicContact CG-CD1 4.41Å; M242-I247 WeakPolarHBondContact O-CB 3.39Å; M242-I247 PolarHBondContact O-N 3.23Å; M242-I247 VanDerWaalsContact O-N 3.09Å; M242-I247 HydrophobicContact SD-CD1 3.4Å; M242-I247 WeakPolarHBondContact SD-CD1 3.43Å; L245-I247 VanDerWaalsContact C-N 3.26Å; L245-I247 HydrophobicContact CB-CD1 3.97Å; L245-I247 HydrophobicContact CB-CG1 4.18Å; L245-I247 HydrophobicContact CD1-CD1 4.33Å; L245-I247 PolarHBondContact O-N 3.2Å
248	I	97.8	Very high	98	Very high	43 Å²	43	45.9 Å²	45.9	22%	0.221	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.8	130.8	177.1	-56.8	178.9	0	0	0	108.9	D99 R102 R103	D99-I248 PolarHBondContact OD1-N 3.22Å; R102-I248 PolarHBondContact NH1-O 3.17Å; R103-I248 HydrophobicContact CG-CD1 3.66Å; R103-I248 VanDerWaalsContact CZ-CG1 3.4Å; R103-I248 VanDerWaalsContact NH2-CG1 3.32Å
249	P	98.3	Very high	98	Very high	97 Å²	97	47 Å²	47	63%	0.63	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-51.5	147.3	172.7	-27.7	35.2	0	0	0	112.8	R102	R102-P249 PolarHBondContact NH1-O 2.8Å; R102-P249 PolarHBondContact NH2-O 3.16Å
250	P	98.3	Very high	98	Very high	32 Å²	32	44.4 Å²	44.4	21%	0.208	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.6	155.3	174.6	30.3	-36.7	0	0	0	111.2	Y115 L117 V252 L253	Y115-P250 HydrophobicContact CD1-CB 3.68Å; Y115-P250 HydrophobicContact CE1-CB 4.12Å; L117-P250 HydrophobicContact CB-CB 3.77Å; L117-P250 HydrophobicContact CB-CG 4.02Å; L117-P250 HydrophobicContact CD2-CG 4.3Å; P250-V252 PolarHBondContact O-N 3.41Å; P250-L253 HydrophobicContact CG-CB 3.95Å; P250-L253 HydrophobicContact CG-CD1 3.91Å
251	S	98.4	Very high	98	Very high	62 Å²	62	47.2 Å²	47.2	43%	0.434	26%	0.258	S	S	.	.	S	Bend	trans	-63.5	-36.7	171.4	-53.9	0	0	0	0	111	Y115	Y115-S251 PolarHBondContact N-OG 3.17Å; Y115-S251 WeakPolarHBondContact O-CA 3.37Å; Y115-S251 VanDerWaalsContact O-CB 3.29Å; Y115-S251 WeakPolarHBondContact O-CB 3.45Å; Y115-S251 PolarHBondContact O-N 2.89Å
252	V	98.4	Very high	98	Very high	52 Å²	52	49 Å²	49	32%	0.315	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	126.8	175.7	-167.7	0	0	0	0	108.8	Y115 V116 L117 P250 V254 I367	Y115-V252 PolarHBondContact O-N 2.89Å; V116-V252 WeakPolarHBondContact CA-O 3.48Å; V116-V252 HydrophobicContact CG1-CB 4.45Å; V116-V252 HydrophobicContact CG2-CB 4.26Å; V116-V252 HydrophobicContact CG2-CG2 4.45Å; L117-V252 PolarHBondContact N-O 3.15Å; P250-V252 PolarHBondContact O-N 3.41Å; V252-V254 HydrophobicContact CG1-CG1 3.99Å; V252-I367 HydrophobicContact CB-CD1 4.34Å; V252-I367 HydrophobicContact CG1-CD1 3.74Å; V252-I367 HydrophobicContact CG2-CG2 4.41Å
253	L	98.2	Very high	98	Very high	46 Å²	46	48.5 Å²	48.5	24%	0.241	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.1	172.1	-172.5	75.4	0	0	0	108.4	L117 I119 L239 P250	L117-L253 HydrophobicContact CB-CD1 4.21Å; L117-L253 HydrophobicContact CD2-CD1 3.85Å; L117-L253 HydrophobicContact CG-CD1 4.23Å; L117-L253 WeakPolarHBondContact O-CA 3.41Å; I119-L253 HydrophobicContact CD1-CD1 4.04Å; I119-L253 HydrophobicContact CG1-CD1 3.84Å; I119-L253 HydrophobicContact CG1-CD2 4.38Å; I119-L253 HydrophobicContact CG1-CG 4.18Å; L239-L253 HydrophobicContact CD1-CD2 4.43Å; L239-L253 HydrophobicContact CD2-CD2 4.3Å; P250-L253 HydrophobicContact CG-CB 3.95Å; P250-L253 HydrophobicContact CG-CD1 3.91Å
254	V	98.3	Very high	98	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.3	-177.7	-73	0	0	0	0	111.9	V116 L117 N118 I119 V252 Y259 M363 I367	V116-V254 HydrophobicContact CG1-CG2 4.22Å; L117-V254 PolarHBondContact O-N 3.17Å; N118-V254 CarbonylContact C-O 3.52Å; N118-V254 VanDerWaalsContact CA-O 3.24Å; N118-V254 WeakPolarHBondContact CA-O 3.41Å; N118-V254 HydrophobicContact CB-CG2 3.91Å; I119-V254 PolarHBondContact N-O 3.19Å; V252-V254 HydrophobicContact CG1-CG1 3.99Å; V254-Y259 HydrophobicContact CB-CD2 4.37Å; V254-Y259 HydrophobicContact CB-CE2 3.81Å; V254-Y259 HydrophobicContact CG1-CE2 3.59Å; V254-M363 HydrophobicContact CB-CG 4.39Å; V254-M363 HydrophobicContact CB-SD 3.87Å; V254-M363 HydrophobicContact CG2-CB 3.96Å; V254-M363 HydrophobicContact CG2-CG 4.04Å; V254-M363 HydrophobicContact CG2-SD 3.51Å; V254-M363 VanDerWaalsContact CG2-SD 3.51Å; V254-I367 HydrophobicContact CG1-CD1 3.43Å; V254-I367 VanDerWaalsContact CG1-CD1 3.43Å; V254-I367 HydrophobicContact CG2-CD1 4.44Å
255	R	98	Very high	98.1	Very high	40 Å²	40	46.3 Å²	46.3	15%	0.151	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.7	-179.4	-68.9	169.7	-158.1	85	4.8	110.6	I119 E235 T257 E258 Y259	I119-R255 HydrophobicContact CB-CG 4.01Å; E235-R255 VanDerWaalsContact CD-NE 3.3Å; E235-R255 IonicContact OE1-CZ 2.71Å; E235-R255 IonicContact OE1-NE 3.71Å; E235-R255 PolarHBondContact OE1-NE 2.62Å; E235-R255 IonicContact OE1-NH2 3.7Å; E235-R255 PolarHBondContact OE1-NH2 3.21Å; E235-R255 IonicContact OE2-NE 3.58Å; E235-R255 PolarHBondContact OE2-NE 2.9Å; E235-R255 VanDerWaalsContact OE2-NE 3.13Å; R255-T257 PolarHBondContact O-N 3.06Å; R255-E258 HydrophobicContact CB-CB 4.4Å; R255-E258 HydrophobicContact CB-CG 4.06Å; R255-E258 WeakPolarHBondContact CD-OE1 3.39Å; R255-E258 IonicContact CZ-OE1 2.67Å; R255-E258 IonicContact NE-OE1 2.61Å; R255-E258 IonicContact NH1-OE1 3.03Å; R255-E258 PolarHBondContact NH1-OE1 3.16Å; R255-E258 IonicContact NH1-OE2 3.85Å; R255-E258 PolarHBondContact NH1-OE2 3.11Å; R255-E258 PolarHBondContact O-N 2.65Å; R255-Y259 WeakPolarHBondContact O-CD2 3.24Å
256	V	98.1	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.7	-42.9	-176.5	177.8	0	0	0	0	111.1	I119 D121 I122 E258 Y259 I263 P354 E359 M363	I119-V256 PolarHBondContact O-N 3.17Å; D121-V256 WeakPolarHBondContact OD1-CA 3.44Å; D121-V256 WeakPolarHBondContact OD1-CB 3.42Å; D121-V256 PolarHBondContact OD1-N 3.38Å; I122-V256 HydrophobicContact CG2-CB 3.85Å; I122-V256 HydrophobicContact CG2-CG1 3.42Å; I122-V256 VanDerWaalsContact CG2-CG1 3.42Å; V256-E258 PolarHBondContact O-N 3.02Å; V256-Y259 PolarHBondContact O-N 3.26Å; V256-I263 HydrophobicContact CG1-CD1 4.18Å; V256-P354 HydrophobicContact CG1-CG 3.65Å; V256-E359 HydrophobicContact CB-CG 4.39Å; V256-E359 HydrophobicContact CG1-CB 4.29Å; V256-E359 HydrophobicContact CG1-CG 3.57Å; V256-E359 HydrophobicContact CG2-CB 3.88Å; V256-E359 HydrophobicContact CG2-CG 3.89Å; V256-E359 VanDerWaalsContact CG2-OE2 3.32Å; V256-E359 WeakPolarHBondContact CG2-OE2 3.44Å; V256-M363 HydrophobicContact CG2-CE 3.73Å; V256-M363 HydrophobicContact CG2-SD 4.46Å
257	T	96.9	Very high	98.1	Very high	41 Å²	41	43.7 Å²	43.7	25%	0.252	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-64.6	-22	180	64.2	0	0	0	0	113.5	D121 I122 R255 Y259 I260 W345	D121-T257 PolarHBondContact OD1-N 3.48Å; D121-T257 WeakPolarHBondContact OD2-CB 3.16Å; D121-T257 WeakPolarHBondContact OD2-CG2 3.23Å; D121-T257 PolarHBondContact OD2-OG1 3.08Å; I122-T257 HydrophobicContact CB-CG2 4.17Å; I122-T257 HydrophobicContact CG2-CG2 4.11Å; R255-T257 PolarHBondContact O-N 3.06Å; T257-Y259 VanDerWaalsContact C-N 3.29Å; T257-I260 WeakPolarHBondContact O-CG1 3.49Å; T257-W345 HydrophobicContact CG2-CH2 4.15Å; T257-W345 HydrophobicContact CG2-CZ2 3.99Å
258	E	97	Very high	98.1	Very high	98 Å²	98	47.6 Å²	47.6	46%	0.458	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-80	-13.7	174.6	-64.8	169.2	-174.3	0	0	112	R232 R255 V256	R232-E258 IonicContact NH2-OE1 2.7Å; R232-E258 PolarHBondContact NH2-OE1 3.3Å; R255-E258 HydrophobicContact CB-CB 4.4Å; R255-E258 HydrophobicContact CB-CG 4.06Å; R255-E258 WeakPolarHBondContact CD-OE1 3.39Å; R255-E258 IonicContact CZ-OE1 2.67Å; R255-E258 IonicContact NE-OE1 2.61Å; R255-E258 IonicContact NH1-OE1 3.03Å; R255-E258 PolarHBondContact NH1-OE1 3.16Å; R255-E258 IonicContact NH1-OE2 3.85Å; R255-E258 PolarHBondContact NH1-OE2 3.11Å; R255-E258 PolarHBondContact O-N 2.65Å; V256-E258 PolarHBondContact O-N 3.02Å
259	Y	97.9	Very high	98.2	Very high	32 Å²	32	49 Å²	49	13%	0.125	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-112.2	11.5	-172.6	-89.2	-98.4	0	0	0	114.5	V254 R255 V256 T257 D261 P262 I263 V362 M363 D366	V254-Y259 HydrophobicContact CB-CD2 4.37Å; V254-Y259 HydrophobicContact CB-CE2 3.81Å; V254-Y259 HydrophobicContact CG1-CE2 3.59Å; R255-Y259 WeakPolarHBondContact O-CD2 3.24Å; V256-Y259 PolarHBondContact O-N 3.26Å; T257-Y259 VanDerWaalsContact C-N 3.29Å; Y259-D261 PolarHBondContact O-N 3.4Å; Y259-P262 HydrophobicContact CD1-CB 3.97Å; Y259-P262 HydrophobicContact CD1-CG 3.98Å; Y259-P262 VanDerWaalsContact O-CD 3.26Å; Y259-P262 WeakPolarHBondContact O-CD 3.31Å; Y259-I263 WeakPolarHBondContact O-CB 3.33Å; Y259-I263 WeakPolarHBondContact O-CD1 2.93Å; Y259-I263 WeakPolarHBondContact O-CG1 3.36Å; Y259-I263 PolarHBondContact O-N 3.41Å; Y259-V362 HydrophobicContact CD1-CG1 4.22Å; Y259-M363 HydrophobicContact CD1-CG 3.77Å; Y259-M363 HydrophobicContact CD2-CG 3.86Å; Y259-M363 HydrophobicContact CD2-SD 4.29Å; Y259-M363 HydrophobicContact CE1-CG 4.16Å; Y259-M363 HydrophobicContact CE2-CG 4.24Å; Y259-M363 HydrophobicContact CG-CG 3.61Å; Y259-M363 HydrophobicContact CG-SD 4.44Å; Y259-D366 HydrophobicContact CE1-CB 3.78Å; Y259-D366 VanDerWaalsContact CE1-OD2 3.24Å; Y259-D366 WeakPolarHBondContact CE1-OD2 3.42Å; Y259-D366 PolarHBondContact OH-OD2 3.04Å
260	I	98	Very high	98.2	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.046	23%	0.225	C	C	.	.	H	α-helix	trans	-56.4	-47.5	-176.7	-60.4	-63.3	0	0	0	112.8	T257 I263 I264 W335 W345 P354	T257-I260 WeakPolarHBondContact O-CG1 3.49Å; I260-I263 WeakPolarHBondContact O-CB 3.42Å; I260-I263 PolarHBondContact O-N 3.27Å; I260-I264 HydrophobicContact CG2-CD1 3.91Å; I260-I264 WeakPolarHBondContact O-CG1 3.26Å; I260-I264 PolarHBondContact O-N 2.77Å; I260-W335 HydrophobicContact CG2-CH2 4.24Å; I260-W345 HydrophobicContact CB-CG 4.49Å; I260-W345 HydrophobicContact CD1-CD2 3.98Å; I260-W345 HydrophobicContact CD1-CE3 4.08Å; I260-W345 HydrophobicContact CD1-CG 4.46Å; I260-W345 HydrophobicContact CD1-CZ2 4.44Å; I260-W345 HydrophobicContact CD1-CZ3 4.36Å; I260-W345 HydrophobicContact CG1-CD2 4.04Å; I260-W345 HydrophobicContact CG1-CG 4.16Å; I260-W345 HydrophobicContact CG1-CZ2 4.49Å; I260-W345 HydrophobicContact CG2-CB 3.71Å; I260-W345 HydrophobicContact CG2-CD2 4.36Å; I260-W345 HydrophobicContact CG2-CG 3.75Å; I260-P354 HydrophobicContact CD1-CG 4.02Å
261	D	98.2	Very high	98.2	Very high	114 Å²	114	44.6 Å²	44.6	61%	0.61	22%	0.224	S	C	*	.	H	α-helix	trans	-65.5	-47.8	180	-78.1	-11.2	0	0	0	112.6	Y259 I263 I264 K265	Y259-D261 PolarHBondContact O-N 3.4Å; D261-I263 VanDerWaalsContact C-N 3.3Å; D261-I263 PolarHBondContact O-N 3.05Å; D261-I264 PolarHBondContact O-N 3.07Å; D261-K265 WeakPolarHBondContact O-CG 3.48Å; D261-K265 PolarHBondContact O-N 3.41Å; D261-K265 VanDerWaalsContact O-N 3.12Å
262	P	98.3	Very high	98.2	Very high	40 Å²	40	46.3 Å²	46.3	26%	0.26	23%	0.229	S	C	.	.	H	α-helix	trans	-51.9	-44.6	167.9	-29.6	33.7	0	0	0	113.6	Y259 I264 K265 Y266 V362	Y259-P262 HydrophobicContact CD1-CB 3.97Å; Y259-P262 HydrophobicContact CD1-CG 3.98Å; Y259-P262 VanDerWaalsContact O-CD 3.26Å; Y259-P262 WeakPolarHBondContact O-CD 3.31Å; P262-I264 PolarHBondContact O-N 3.14Å; P262-K265 PolarHBondContact O-N 3.19Å; P262-Y266 WeakPolarHBondContact O-CB 3.45Å; P262-Y266 PolarHBondContact O-N 2.88Å; P262-V362 HydrophobicContact CB-CG1 3.71Å
263	I	98.6	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-48.2	179.4	-71.5	163.3	0	0	0	110.6	V256 Y259 I260 D261 K265 Y266 V267 W335 P354 I358 V362	V256-I263 HydrophobicContact CG1-CD1 4.18Å; Y259-I263 WeakPolarHBondContact O-CB 3.33Å; Y259-I263 WeakPolarHBondContact O-CD1 2.93Å; Y259-I263 WeakPolarHBondContact O-CG1 3.36Å; Y259-I263 PolarHBondContact O-N 3.41Å; I260-I263 WeakPolarHBondContact O-CB 3.42Å; I260-I263 PolarHBondContact O-N 3.27Å; D261-I263 VanDerWaalsContact C-N 3.3Å; D261-I263 PolarHBondContact O-N 3.05Å; I263-K265 VanDerWaalsContact C-N 3.3Å; I263-K265 PolarHBondContact O-N 2.87Å; I263-Y266 WeakPolarHBondContact O-CB 3.19Å; I263-Y266 PolarHBondContact O-N 2.93Å; I263-Y266 VanDerWaalsContact O-N 3.15Å; I263-V267 HydrophobicContact CG2-CG2 4.28Å; I263-V267 WeakPolarHBondContact O-CG2 3.04Å; I263-V267 PolarHBondContact O-N 3Å; I263-W335 HydrophobicContact CG2-CZ3 4.49Å; I263-P354 HydrophobicContact CD1-CB 4.07Å; I263-P354 HydrophobicContact CD1-CG 4.21Å; I263-P354 HydrophobicContact CG2-CB 4.15Å; I263-I358 HydrophobicContact CG2-CG1 4.39Å; I263-I358 HydrophobicContact CG2-CG2 4.09Å; I263-V362 HydrophobicContact CB-CG2 4.38Å; I263-V362 HydrophobicContact CG1-CB 3.91Å; I263-V362 HydrophobicContact CG1-CG1 3.9Å; I263-V362 HydrophobicContact CG1-CG2 3.88Å
264	I	98.6	Very high	98.1	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-43.6	179.1	-70.2	166.1	0	0	0	110.8	I260 D261 P262 Y266 K268 W335 P346 P348 W349	I260-I264 HydrophobicContact CG2-CD1 3.91Å; I260-I264 WeakPolarHBondContact O-CG1 3.26Å; I260-I264 PolarHBondContact O-N 2.77Å; D261-I264 PolarHBondContact O-N 3.07Å; P262-I264 PolarHBondContact O-N 3.14Å; I264-Y266 VanDerWaalsContact C-N 3.35Å; I264-K268 WeakPolarHBondContact O-CB 3.5Å; I264-K268 PolarHBondContact O-N 3.33Å; I264-W335 HydrophobicContact CD1-CH2 3.91Å; I264-W335 HydrophobicContact CD1-CZ3 4.24Å; I264-W335 HydrophobicContact CG1-CE3 4.34Å; I264-W335 HydrophobicContact CG1-CH2 3.87Å; I264-W335 HydrophobicContact CG1-CZ3 3.71Å; I264-P346 VanDerWaalsContact CD1-O 3.3Å; I264-P346 WeakPolarHBondContact CD1-O 3.5Å; I264-P348 HydrophobicContact CG2-CG 4.13Å; I264-W349 HydrophobicContact CG2-CH2 4.19Å; I264-W349 HydrophobicContact CG2-CZ3 4.3Å
265	K	98.4	Very high	98	Very high	149 Å²	149	46.5 Å²	46.5	65%	0.648	24%	0.236	S	C	*	.	H	α-helix	trans	-62.7	-42.6	176.9	-69.2	172	-174.5	170.9	0	111.6	D261 P262 I263 K268 Q269	D261-K265 WeakPolarHBondContact O-CG 3.48Å; D261-K265 PolarHBondContact O-N 3.41Å; D261-K265 VanDerWaalsContact O-N 3.12Å; P262-K265 PolarHBondContact O-N 3.19Å; I263-K265 VanDerWaalsContact C-N 3.3Å; I263-K265 PolarHBondContact O-N 2.87Å; K265-K268 PolarHBondContact O-N 3.31Å; K265-Q269 PolarHBondContact O-N 3.31Å
266	Y	98.6	Very high	98	Very high	11 Å²	11	45.1 Å²	45.1	4%	0.043	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-47	180	-153.8	-79.6	0	0	0	111.9	P262 I263 I264 K268 Q269 I270 I358 V362 S365 S393 Y396	P262-Y266 WeakPolarHBondContact O-CB 3.45Å; P262-Y266 PolarHBondContact O-N 2.88Å; I263-Y266 WeakPolarHBondContact O-CB 3.19Å; I263-Y266 PolarHBondContact O-N 2.93Å; I263-Y266 VanDerWaalsContact O-N 3.15Å; I264-Y266 VanDerWaalsContact C-N 3.35Å; Y266-K268 VanDerWaalsContact C-N 3.32Å; Y266-K268 PolarHBondContact O-N 2.99Å; Y266-Q269 WeakPolarHBondContact O-CB 3.47Å; Y266-Q269 PolarHBondContact O-N 2.84Å; Y266-Q269 VanDerWaalsContact O-N 3.16Å; Y266-I270 HydrophobicContact CD1-CD1 3.81Å; Y266-I270 HydrophobicContact CD1-CG1 4.27Å; Y266-I270 HydrophobicContact CE1-CD1 4Å; Y266-I270 HydrophobicContact CE1-CG1 4.49Å; Y266-I270 WeakPolarHBondContact O-CG1 3.17Å; Y266-I270 PolarHBondContact O-N 3.05Å; Y266-I358 HydrophobicContact CD1-CD1 3.81Å; Y266-I358 HydrophobicContact CE1-CD1 4.18Å; Y266-V362 HydrophobicContact CD1-CG2 3.94Å; Y266-V362 HydrophobicContact CD2-CB 4.39Å; Y266-V362 HydrophobicContact CD2-CG1 4.42Å; Y266-V362 HydrophobicContact CD2-CG2 3.78Å; Y266-V362 HydrophobicContact CE2-CG2 4.4Å; Y266-V362 HydrophobicContact CG-CG2 3.51Å; Y266-S365 PolarHBondContact OH-OG 2.98Å; Y266-S393 WeakPolarHBondContact OH-CA 3.27Å; Y266-Y396 AromaticContact CD1-CD2 3.52Å; Y266-Y396 HydrophobicContact CD1-CD2 3.52Å; Y266-Y396 HydrophobicContact CD1-CE2 4.21Å; Y266-Y396 AromaticContact CD1-CG 3.8Å; Y266-Y396 HydrophobicContact CD1-CG 3.8Å; Y266-Y396 HydrophobicContact CD2-CD1 4.11Å; Y266-Y396 AromaticContact CD2-CD2 3.68Å; Y266-Y396 HydrophobicContact CD2-CD2 3.68Å; Y266-Y396 HydrophobicContact CD2-CE1 4.01Å; Y266-Y396 AromaticContact CD2-CE2 3.59Å; Y266-Y396 HydrophobicContact CD2-CE2 3.59Å; Y266-Y396 AromaticContact CD2-CG 3.96Å; Y266-Y396 HydrophobicContact CD2-CG 3.96Å; Y266-Y396 AromaticContact CD2-CZ 3.76Å; Y266-Y396 HydrophobicContact CE1-CD1 4.05Å; Y266-Y396 AromaticContact CE1-CD2 3.65Å; Y266-Y396 HydrophobicContact CE1-CD2 3.65Å; Y266-Y396 AromaticContact CE1-CG 3.38Å; Y266-Y396 HydrophobicContact CE1-CG 3.38Å; Y266-Y396 AromaticContact CE2-CD1 3.43Å; Y266-Y396 HydrophobicContact CE2-CD1 3.43Å; Y266-Y396 VanDerWaalsContact CE2-CD1 3.43Å; Y266-Y396 AromaticContact CE2-CD2 3.8Å; Y266-Y396 HydrophobicContact CE2-CD2 3.8Å; Y266-Y396 AromaticContact CE2-CE1 3.58Å; Y266-Y396 HydrophobicContact CE2-CE1 3.58Å; Y266-Y396 AromaticContact CE2-CE2 3.95Å; Y266-Y396 HydrophobicContact CE2-CE2 3.95Å; Y266-Y396 AromaticContact CE2-CG 3.56Å; Y266-Y396 HydrophobicContact CE2-CG 3.56Å; Y266-Y396 AromaticContact CE2-CZ 3.85Å; Y266-Y396 AromaticContact CG-CD2 3.55Å; Y266-Y396 HydrophobicContact CG-CD2 3.55Å; Y266-Y396 AromaticContact CG-CE2 3.74Å; Y266-Y396 HydrophobicContact CG-CE2 3.74Å; Y266-Y396 HydrophobicContact CG-CG 4.08Å; Y266-Y396 VanDerWaalsContact CZ-CB 3.44Å; Y266-Y396 AromaticContact CZ-CD1 3.4Å; Y266-Y396 VanDerWaalsContact CZ-CD1 3.4Å; Y266-Y396 AromaticContact CZ-CD2 3.79Å; Y266-Y396 AromaticContact CZ-CG 3.25Å
267	V	98.6	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-42.4	175.9	173.6	0	0	0	0	110.9	I263 Q269 I270 I271 V284 L334 W349 I358	I263-V267 HydrophobicContact CG2-CG2 4.28Å; I263-V267 WeakPolarHBondContact O-CG2 3.04Å; I263-V267 PolarHBondContact O-N 3Å; V267-Q269 VanDerWaalsContact C-N 3.31Å; V267-Q269 PolarHBondContact O-N 2.86Å; V267-I270 PolarHBondContact O-N 3.15Å; V267-I271 HydrophobicContact CG1-CD1 4.34Å; V267-I271 WeakPolarHBondContact O-CG1 3.35Å; V267-I271 PolarHBondContact O-N 3.01Å; V267-V284 HydrophobicContact CG1-CB 4.11Å; V267-V284 HydrophobicContact CG1-CG1 3.72Å; V267-V284 HydrophobicContact CG1-CG2 4.32Å; V267-L334 HydrophobicContact CG1-CB 4.03Å; V267-L334 HydrophobicContact CG1-CD1 4.23Å; V267-L334 HydrophobicContact CG2-CB 3.93Å; V267-W349 HydrophobicContact CB-CH2 3.68Å; V267-W349 HydrophobicContact CB-CZ2 4.47Å; V267-W349 HydrophobicContact CB-CZ3 4.25Å; V267-W349 HydrophobicContact CG1-CH2 3.43Å; V267-W349 VanDerWaalsContact CG1-CH2 3.43Å; V267-W349 HydrophobicContact CG1-CZ2 3.95Å; V267-W349 HydrophobicContact CG1-CZ3 3.89Å; V267-I358 HydrophobicContact CG2-CD1 4.36Å; V267-I358 HydrophobicContact CG2-CG1 3.78Å
268	K	98.4	Very high	98	Very high	109 Å²	109	47.4 Å²	47.4	47%	0.474	25%	0.245	S	C	.	.	H	α-helix	trans	-58	-44.7	175.1	-172	-167.6	171.1	-148.4	0	111.4	I264 K265 Y266 I270 I271 D272 W349	I264-K268 WeakPolarHBondContact O-CB 3.5Å; I264-K268 PolarHBondContact O-N 3.33Å; K265-K268 PolarHBondContact O-N 3.31Å; Y266-K268 VanDerWaalsContact C-N 3.32Å; Y266-K268 PolarHBondContact O-N 2.99Å; K268-I270 VanDerWaalsContact C-N 3.33Å; K268-I270 PolarHBondContact O-N 3.32Å; K268-I271 WeakPolarHBondContact O-CB 3.39Å; K268-I271 PolarHBondContact O-N 3.44Å; K268-I271 VanDerWaalsContact O-N 3.17Å; K268-D272 VanDerWaalsContact O-CG 3.29Å; K268-D272 PolarHBondContact O-N 3.43Å; K268-W349 HydrophobicContact CB-CH2 4.46Å; K268-W349 HydrophobicContact CB-CZ2 4.08Å
269	Q	98.4	Very high	98	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-36.7	178.1	-174.7	63.2	53.8	0	0	112.5	K265 Y266 V267 I271 D272 N273 Y396	K265-Q269 PolarHBondContact O-N 3.31Å; Y266-Q269 WeakPolarHBondContact O-CB 3.47Å; Y266-Q269 PolarHBondContact O-N 2.84Å; Y266-Q269 VanDerWaalsContact O-N 3.16Å; V267-Q269 VanDerWaalsContact C-N 3.31Å; V267-Q269 PolarHBondContact O-N 2.86Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-D272 PolarHBondContact O-N 2.93Å; Q269-N273 PolarHBondContact NE2-OD1 2.86Å; Q269-N273 WeakPolarHBondContact O-CB 3.48Å; Q269-N273 VanDerWaalsContact O-CG 3.22Å; Q269-N273 PolarHBondContact O-N 3.29Å; Q269-N273 PolarHBondContact O-OD1 3.34Å; Q269-Y396 HydrophobicContact CB-CD2 3.56Å; Q269-Y396 HydrophobicContact CB-CE2 3.48Å; Q269-Y396 VanDerWaalsContact CB-CE2 3.48Å; Q269-Y396 HydrophobicContact CG-CD2 3.59Å; Q269-Y396 HydrophobicContact CG-CE2 3.55Å; Q269-Y396 HydrophobicContact CG-CG 4.48Å
270	I	98.4	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-39.1	174.2	-63.4	172.7	0	0	0	111.2	Y266 V267 K268 N273 G274 F275 A276 F286 L334 I358 Q392 A395	Y266-I270 HydrophobicContact CD1-CD1 3.81Å; Y266-I270 HydrophobicContact CD1-CG1 4.27Å; Y266-I270 HydrophobicContact CE1-CD1 4Å; Y266-I270 HydrophobicContact CE1-CG1 4.49Å; Y266-I270 WeakPolarHBondContact O-CG1 3.17Å; Y266-I270 PolarHBondContact O-N 3.05Å; V267-I270 PolarHBondContact O-N 3.15Å; K268-I270 VanDerWaalsContact C-N 3.33Å; K268-I270 PolarHBondContact O-N 3.32Å; I270-N273 PolarHBondContact O-N 3.23Å; I270-G274 PolarHBondContact O-N 3.42Å; I270-F275 HydrophobicContact CG2-CB 3.89Å; I270-F275 PolarHBondContact O-N 2.77Å; I270-A276 HydrophobicContact CB-CB 4.41Å; I270-A276 HydrophobicContact CG2-CB 3.69Å; I270-F286 HydrophobicContact CG2-CD2 4.05Å; I270-F286 HydrophobicContact CG2-CE2 4.04Å; I270-L334 HydrophobicContact CB-CD1 4.45Å; I270-L334 HydrophobicContact CD1-CD1 4.23Å; I270-L334 HydrophobicContact CG2-CD1 4.06Å; I270-I358 HydrophobicContact CD1-CD1 4Å; I270-Q392 HydrophobicContact CD1-CB 4.27Å; I270-A395 HydrophobicContact CG2-CB 4.27Å
271	I	98.2	Very high	97.5	Very high	37 Å²	37	50.6 Å²	50.6	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-47.8	172.8	-64.2	168	0	0	0	110.1	V267 K268 Q269 N273 G274 A276 V278 V284 W349	V267-I271 HydrophobicContact CG1-CD1 4.34Å; V267-I271 WeakPolarHBondContact O-CG1 3.35Å; V267-I271 PolarHBondContact O-N 3.01Å; K268-I271 WeakPolarHBondContact O-CB 3.39Å; K268-I271 PolarHBondContact O-N 3.44Å; K268-I271 VanDerWaalsContact O-N 3.17Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; I271-N273 PolarHBondContact O-N 2.85Å; I271-G274 WeakPolarHBondContact O-CA 3.48Å; I271-G274 PolarHBondContact O-N 3.06Å; I271-A276 HydrophobicContact CG1-CB 3.67Å; I271-V278 HydrophobicContact CD1-CG2 3.87Å; I271-V284 HydrophobicContact CD1-CG1 3.8Å; I271-V284 HydrophobicContact CD1-CG2 4.33Å; I271-V284 HydrophobicContact CG1-CG1 4.02Å; I271-W349 HydrophobicContact CD1-CZ2 3.55Å
272	D	98.1	Very high	97.3	Very high	98 Å²	98	45.4 Å²	45.4	52%	0.524	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-33.7	-179.4	-68.1	-18.3	0	0	0	111.4	K268 Q269 G274	K268-D272 VanDerWaalsContact O-CG 3.29Å; K268-D272 PolarHBondContact O-N 3.43Å; Q269-D272 PolarHBondContact O-N 2.93Å; D272-G274 PolarHBondContact O-N 3.41Å
273	N	97.3	Very high	97.2	Very high	57 Å²	57	43.7 Å²	43.7	31%	0.305	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.6	172.5	-68.2	-8.1	0	0	0	113.5	Q269 I270 I271 F275 A395 Y396	Q269-N273 PolarHBondContact NE2-OD1 2.86Å; Q269-N273 WeakPolarHBondContact O-CB 3.48Å; Q269-N273 VanDerWaalsContact O-CG 3.22Å; Q269-N273 PolarHBondContact O-N 3.29Å; Q269-N273 PolarHBondContact O-OD1 3.34Å; I270-N273 PolarHBondContact O-N 3.23Å; I271-N273 PolarHBondContact O-N 2.85Å; N273-F275 HydrophobicContact CB-CD2 3.84Å; N273-F275 HydrophobicContact CB-CE2 4.16Å; N273-A395 PolarHBondContact ND2-O 2.79Å; N273-Y396 PolarHBondContact ND2-O 2.98Å
274	G	97.1	Very high	97.1	Very high	37 Å²	37	43.7 Å²	43.7	38%	0.381	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	21.2	175.2	0	0	0	0	0	114.9	I270 I271 D272 R290	I270-G274 PolarHBondContact O-N 3.42Å; I271-G274 WeakPolarHBondContact O-CA 3.48Å; I271-G274 PolarHBondContact O-N 3.06Å; D272-G274 PolarHBondContact O-N 3.41Å; G274-R290 VanDerWaalsContact O-CG 3.31Å; G274-R290 WeakPolarHBondContact O-CG 3.35Å
275	F	97.7	Very high	97	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.066	24%	0.237	C	C	.	.	S	Bend	trans	-107.7	-0.1	179.8	-62.5	-62.3	0	0	0	113.9	I270 N273 F286 D287 R290 F291 H297 A395	I270-F275 HydrophobicContact CG2-CB 3.89Å; I270-F275 PolarHBondContact O-N 2.77Å; N273-F275 HydrophobicContact CB-CD2 3.84Å; N273-F275 HydrophobicContact CB-CE2 4.16Å; F275-F286 HydrophobicContact CB-CE2 4.2Å; F275-F286 HydrophobicContact CB-CZ 4.38Å; F275-D287 PolarHBondContact O-N 3.42Å; F275-R290 HydrophobicContact CD1-CG 4.18Å; F275-F291 HydrophobicContact CD1-CB 3.99Å; F275-F291 AromaticContact CD1-CD2 3.94Å; F275-F291 HydrophobicContact CD1-CD2 3.94Å; F275-F291 HydrophobicContact CD1-CG 4.47Å; F275-F291 HydrophobicContact CE1-CB 4.42Å; F275-F291 HydrophobicContact CE1-CD2 4.1Å; F275-F291 HydrophobicContact CG-CD2 4.25Å; F275-H297 AromaticContact CZ-CE1 3.72Å; F275-H297 AromaticContact CZ-ND1 3.79Å; F275-A395 HydrophobicContact CB-CB 3.96Å; F275-A395 HydrophobicContact CD2-CB 3.61Å; F275-A395 HydrophobicContact CE2-CB 4.34Å; F275-A395 HydrophobicContact CG-CB 3.94Å
276	A	98	Very high	97	Very high	11 Å²	11	35.8 Å²	35.8	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160	174.6	0	0	0	0	0	111.4	I270 I271 V284 Y285 L334	I270-A276 HydrophobicContact CB-CB 4.41Å; I270-A276 HydrophobicContact CG2-CB 3.69Å; I271-A276 HydrophobicContact CG1-CB 3.67Å; A276-V284 HydrophobicContact CB-CG1 4.06Å; A276-Y285 CarbonylContact C-O 3.46Å; A276-Y285 WeakPolarHBondContact CA-O 3.47Å; A276-Y285 WeakPolarHBondContact CB-O 3.19Å; A276-L334 HydrophobicContact CB-CD1 3.59Å
277	Y	97.8	Very high	96.9	Very high	24 Å²	24	36.4 Å²	36.4	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.2	178.9	60.3	-86.6	0	0	0	111.7	V279 V284 Y285 D287 K327 D331	Y277-V279 HydrophobicContact CD2-CG1 3.97Å; Y277-V279 HydrophobicContact CE2-CG1 3.77Å; Y277-V284 WeakPolarHBondContact O-CA 3.45Å; Y277-Y285 HydrophobicContact CE2-CD2 4.31Å; Y277-Y285 PolarHBondContact N-O 3.3Å; Y277-Y285 PolarHBondContact O-N 2.9Å; Y277-D287 HydrophobicContact CD1-CB 3.94Å; Y277-D287 HydrophobicContact CE1-CB 3.99Å; Y277-K327 HydrophobicContact CD1-CD 3.92Å; Y277-K327 HydrophobicContact CD2-CD 4.23Å; Y277-K327 HydrophobicContact CD2-CG 4.32Å; Y277-K327 HydrophobicContact CE1-CB 4.38Å; Y277-K327 HydrophobicContact CE1-CD 3.68Å; Y277-K327 HydrophobicContact CE1-CG 4.09Å; Y277-K327 HydrophobicContact CE2-CB 4.45Å; Y277-K327 HydrophobicContact CE2-CD 4.01Å; Y277-K327 HydrophobicContact CE2-CG 3.73Å; Y277-K327 HydrophobicContact CG-CD 4.19Å; Y277-K327 PolarHBondContact OH-N 2.93Å; Y277-D331 WeakPolarHBondContact CE1-OD2 3.47Å; Y277-D331 PolarHBondContact OH-OD2 2.92Å
278	V	97.2	Very high	96.7	Very high	65 Å²	65	36.4 Å²	36.4	39%	0.394	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.8	177.6	-168.5	0	0	0	0	108.7	I271 V284 W349	I271-V278 HydrophobicContact CD1-CG2 3.87Å; V278-V284 HydrophobicContact CG2-CG2 4.21Å; V278-W349 HydrophobicContact CG1-CB 3.89Å; V278-W349 HydrophobicContact CG1-CG 4.03Å; V278-W349 HydrophobicContact CG2-CG 4.1Å
279	V	95.7	Very high	96.4	Very high	14 Å²	14	34.5 Å²	34.5	9%	0.085	21%	0.205	C	C	.	.			trans	-105.7	162.8	174.6	-66.8	0	0	0	0	111	Y277 S281 G282 S283 Y285 E325	Y277-V279 HydrophobicContact CD2-CG1 3.97Å; Y277-V279 HydrophobicContact CE2-CG1 3.77Å; V279-S281 VanDerWaalsContact CG2-OG 3.28Å; V279-S281 WeakPolarHBondContact CG2-OG 3.49Å; V279-S281 PolarHBondContact O-N 3.01Å; V279-G282 PolarHBondContact O-N 3.1Å; V279-S283 VanDerWaalsContact CG2-O 3.24Å; V279-S283 WeakPolarHBondContact CG2-O 3.48Å; V279-S283 PolarHBondContact N-O 3.3Å; V279-Y285 HydrophobicContact CG1-CD2 3.92Å; V279-Y285 HydrophobicContact CG1-CE2 4.19Å; V279-Y285 HydrophobicContact CG2-CD2 4.09Å; V279-Y285 HydrophobicContact CG2-CE2 3.78Å; V279-E325 HydrophobicContact CB-CB 4.47Å; V279-E325 HydrophobicContact CG1-CB 4.49Å; V279-E325 WeakPolarHBondContact CG1-O 3.28Å; V279-E325 HydrophobicContact CG2-CB 4.46Å; V279-E325 HydrophobicContact CG2-CG 4.27Å
280	P	93.1	Very high	96.2	Very high	140 Å²	140	37.4 Å²	37.4	91%	0.909	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24	-175.7	-28.5	36.6	0	0	0	116	G282	P280-G282 PolarHBondContact O-N 2.96Å
281	S	92.1	Very high	96	Very high	52 Å²	52	37.4 Å²	37.4	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.7	175.2	61.6	0	0	0	0	113.7	V279 S283 E325 A337	V279-S281 VanDerWaalsContact CG2-OG 3.28Å; V279-S281 WeakPolarHBondContact CG2-OG 3.49Å; V279-S281 PolarHBondContact O-N 3.01Å; S281-S283 PolarHBondContact OG-N 3.07Å; S281-S283 PolarHBondContact OG-OG 2.95Å; S281-E325 WeakPolarHBondContact CB-OE2 3Å; S281-E325 VanDerWaalsContact OG-CD 3.28Å; S281-E325 PolarHBondContact OG-OE1 3.02Å; S281-E325 PolarHBondContact OG-OE2 3.46Å; S281-A337 VanDerWaalsContact O-CB 3.24Å; S281-A337 WeakPolarHBondContact O-CB 3.35Å
282	G	94.4	Very high	95.7	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	22%	0.215	C	C	.	.	S	Bend	trans	95.4	-3.2	-171	0	0	0	0	0	114.3	V279 P280 W349	V279-G282 PolarHBondContact O-N 3.1Å; P280-G282 PolarHBondContact O-N 2.96Å; G282-W349 WeakPolarHBondContact CA-O 3.46Å; G282-W349 WeakPolarHBondContact O-CB 3.41Å
283	S	95.9	Very high	95.4	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	22%	0.22	C	C	.	.			trans	-66.6	154.9	169.2	-57.1	0	0	0	0	110.9	V279 S281 E325 W335 A337	V279-S283 VanDerWaalsContact CG2-O 3.24Å; V279-S283 WeakPolarHBondContact CG2-O 3.48Å; V279-S283 PolarHBondContact N-O 3.3Å; S281-S283 PolarHBondContact OG-N 3.07Å; S281-S283 PolarHBondContact OG-OG 2.95Å; S283-E325 VanDerWaalsContact CB-OE1 3.29Å; S283-E325 WeakPolarHBondContact CB-OE1 3.48Å; S283-E325 PolarHBondContact OG-OE1 3.46Å; S283-W335 CarbonylContact C-O 3.57Å; S283-W335 VanDerWaalsContact CA-O 3.28Å; S283-W335 WeakPolarHBondContact CA-O 3.2Å; S283-W335 WeakPolarHBondContact CB-O 3.36Å; S283-A337 PolarHBondContact OG-N 3.09Å; S283-A337 VanDerWaalsContact OG-N 3.12Å
284	V	97.7	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	174.2	-175.5	0	0	0	0	108.9	V267 I271 A276 Y277 V278 L334 W335 W349	V267-V284 HydrophobicContact CG1-CB 4.11Å; V267-V284 HydrophobicContact CG1-CG1 3.72Å; V267-V284 HydrophobicContact CG1-CG2 4.32Å; I271-V284 HydrophobicContact CD1-CG1 3.8Å; I271-V284 HydrophobicContact CD1-CG2 4.33Å; I271-V284 HydrophobicContact CG1-CG1 4.02Å; A276-V284 HydrophobicContact CB-CG1 4.06Å; Y277-V284 WeakPolarHBondContact O-CA 3.45Å; V278-V284 HydrophobicContact CG2-CG2 4.21Å; V284-L334 HydrophobicContact CB-CB 4.45Å; V284-L334 HydrophobicContact CG1-CB 4.32Å; V284-L334 HydrophobicContact CG1-CD1 4.3Å; V284-L334 PolarHBondContact O-N 3.12Å; V284-W335 HydrophobicContact CB-CB 3.87Å; V284-W335 HydrophobicContact CG2-CB 3.93Å; V284-W335 PolarHBondContact N-O 3.18Å; V284-W335 PolarHBondContact O-N 3.35Å; V284-W349 HydrophobicContact CG2-CB 4.35Å; V284-W349 HydrophobicContact CG2-CD2 3.49Å; V284-W349 VanDerWaalsContact CG2-CD2 3.49Å; V284-W349 HydrophobicContact CG2-CE3 3.66Å; V284-W349 HydrophobicContact CG2-CG 3.79Å; V284-W349 HydrophobicContact CG2-CZ2 4.5Å; V284-W349 HydrophobicContact CG2-CZ3 4.24Å
285	Y	97	Very high	94.6	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.9	-179.4	-68.4	-81.5	0	0	0	111.5	A276 Y277 V279 E325 K326 F332 A333	A276-Y285 CarbonylContact C-O 3.46Å; A276-Y285 WeakPolarHBondContact CA-O 3.47Å; A276-Y285 WeakPolarHBondContact CB-O 3.19Å; Y277-Y285 HydrophobicContact CE2-CD2 4.31Å; Y277-Y285 PolarHBondContact N-O 3.3Å; Y277-Y285 PolarHBondContact O-N 2.9Å; V279-Y285 HydrophobicContact CG1-CD2 3.92Å; V279-Y285 HydrophobicContact CG1-CE2 4.19Å; V279-Y285 HydrophobicContact CG2-CD2 4.09Å; V279-Y285 HydrophobicContact CG2-CE2 3.78Å; Y285-E325 HydrophobicContact CE2-CG 3.67Å; Y285-E325 WeakPolarHBondContact CE2-OE1 3.49Å; Y285-E325 WeakPolarHBondContact OH-CG 3.32Å; Y285-E325 PolarHBondContact OH-OE1 3.23Å; Y285-K326 HydrophobicContact CD1-CD 4.22Å; Y285-K326 HydrophobicContact CD1-CG 3.84Å; Y285-K326 HydrophobicContact CD2-CG 4.46Å; Y285-K326 HydrophobicContact CE1-CD 4.08Å; Y285-K326 HydrophobicContact CE1-CG 3.67Å; Y285-K326 HydrophobicContact CE2-CG 4.3Å; Y285-K326 HydrophobicContact CG-CG 4.23Å; Y285-F332 WeakPolarHBondContact CA-O 3.44Å; Y285-A333 HydrophobicContact CD1-CB 4.22Å; Y285-A333 HydrophobicContact CE1-CB 3.95Å
286	F	97.5	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.1	171.7	-167.8	-88.9	0	0	0	110.3	I270 F275 T288 F291 D331 F332 L334 A391 Q392 A395	I270-F286 HydrophobicContact CG2-CD2 4.05Å; I270-F286 HydrophobicContact CG2-CE2 4.04Å; F275-F286 HydrophobicContact CB-CE2 4.2Å; F275-F286 HydrophobicContact CB-CZ 4.38Å; F286-T288 HydrophobicContact CD1-CG2 4.03Å; F286-T288 PolarHBondContact O-N 3.06Å; F286-F291 HydrophobicContact CE1-CB 3.58Å; F286-F291 HydrophobicContact CE1-CD1 4.25Å; F286-F291 HydrophobicContact CE1-CD2 4.21Å; F286-F291 AromaticContact CE1-CG 3.78Å; F286-F291 HydrophobicContact CE1-CG 3.78Å; F286-F291 HydrophobicContact CZ-CB 3.84Å; F286-F291 HydrophobicContact CZ-CD1 4.32Å; F286-F291 AromaticContact CZ-CD2 3.61Å; F286-F291 HydrophobicContact CZ-CD2 3.61Å; F286-F291 HydrophobicContact CZ-CE2 4.19Å; F286-F291 AromaticContact CZ-CG 3.67Å; F286-F291 HydrophobicContact CZ-CG 3.67Å; F286-D331 WeakPolarHBondContact O-CA 3.35Å; F286-D331 WeakPolarHBondContact O-CB 3.49Å; F286-D331 VanDerWaalsContact O-OD1 3.12Å; F286-F332 HydrophobicContact CB-CD1 4.35Å; F286-F332 HydrophobicContact CB-CD2 3.91Å; F286-F332 HydrophobicContact CB-CE1 3.99Å; F286-F332 HydrophobicContact CB-CE2 3.51Å; F286-F332 HydrophobicContact CB-CG 4.32Å; F286-F332 HydrophobicContact CB-CZ 3.57Å; F286-F332 AromaticContact CD1-CE1 3.63Å; F286-F332 HydrophobicContact CD1-CE1 3.63Å; F286-F332 HydrophobicContact CD1-CE2 4.26Å; F286-F332 AromaticContact CD1-CZ 3.44Å; F286-F332 HydrophobicContact CD1-CZ 3.44Å; F286-F332 VanDerWaalsContact CD1-CZ 3.44Å; F286-F332 HydrophobicContact CD2-CE2 4.3Å; F286-F332 HydrophobicContact CD2-CZ 4.09Å; F286-F332 HydrophobicContact CE1-CE1 4.37Å; F286-F332 HydrophobicContact CE1-CZ 4.09Å; F286-F332 AromaticContact CG-CE1 3.99Å; F286-F332 HydrophobicContact CG-CE1 3.99Å; F286-F332 AromaticContact CG-CE2 3.79Å; F286-F332 HydrophobicContact CG-CE2 3.79Å; F286-F332 AromaticContact CG-CZ 3.43Å; F286-F332 HydrophobicContact CG-CZ 3.43Å; F286-F332 VanDerWaalsContact CG-CZ 3.43Å; F286-F332 PolarHBondContact N-O 3.41Å; F286-L334 HydrophobicContact CB-CD1 4.33Å; F286-L334 HydrophobicContact CB-CD2 4Å; F286-L334 HydrophobicContact CB-CG 4.11Å; F286-L334 HydrophobicContact CD2-CD1 4.25Å; F286-L334 HydrophobicContact CD2-CD2 4.25Å; F286-A391 HydrophobicContact CE1-CB 3.96Å; F286-A391 HydrophobicContact CZ-CB 3.8Å; F286-A391 WeakPolarHBondContact CZ-O 3.28Å; F286-Q392 HydrophobicContact CD2-CG 4.35Å; F286-A395 HydrophobicContact CE2-CB 3.65Å; F286-A395 HydrophobicContact CZ-CB 3.94Å
287	D	96.5	Very high	93.8	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.134	26%	0.258	C	S	.	.			trans	-85.4	88.6	179.5	-164.1	-40.4	0	0	0	110.1	F275 Y277 N289 R290 F291 K327	F275-D287 PolarHBondContact O-N 3.42Å; Y277-D287 HydrophobicContact CD1-CB 3.94Å; Y277-D287 HydrophobicContact CE1-CB 3.99Å; D287-N289 VanDerWaalsContact C-N 3.27Å; D287-N289 PolarHBondContact O-N 2.99Å; D287-N289 PolarHBondContact OD1-N 3.14Å; D287-R290 HydrophobicContact CB-CB 3.86Å; D287-R290 VanDerWaalsContact CG-CB 3.42Å; D287-R290 PolarHBondContact O-N 3.01Å; D287-R290 VanDerWaalsContact OD1-CB 3.24Å; D287-R290 WeakPolarHBondContact OD1-CB 3.39Å; D287-R290 PolarHBondContact OD1-N 3.28Å; D287-F291 PolarHBondContact O-N 2.87Å; D287-K327 IonicContact OD2-NZ 2.7Å; D287-K327 PolarHBondContact OD2-NZ 3.18Å
288	T	93.6	Very high	93.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-35.1	-176.1	51.6	0	0	0	0	112.7	F286 A292 Y299 N330 D331 F332	F286-T288 HydrophobicContact CD1-CG2 4.03Å; F286-T288 PolarHBondContact O-N 3.06Å; T288-A292 WeakPolarHBondContact O-CB 3.48Å; T288-A292 PolarHBondContact O-N 3.07Å; T288-Y299 HydrophobicContact CG2-CD1 4.38Å; T288-Y299 HydrophobicContact CG2-CD2 4.45Å; T288-Y299 HydrophobicContact CG2-CE1 4.04Å; T288-Y299 HydrophobicContact CG2-CE2 4.15Å; T288-N330 WeakPolarHBondContact CG2-O 3.45Å; T288-N330 WeakPolarHBondContact OG1-CB 3.31Å; T288-D331 PolarHBondContact N-OD1 3.44Å; T288-D331 PolarHBondContact OG1-OD1 3.02Å; T288-F332 HydrophobicContact CG2-CD1 3.85Å; T288-F332 HydrophobicContact CG2-CE1 3.62Å
289	N	92.7	Very high	93.3	Very high	68 Å²	68	42.7 Å²	42.7	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-69.6	-44.1	178.9	-71.2	-33.6	0	0	0	111.1	D287 A292 S293 S328	D287-N289 VanDerWaalsContact C-N 3.27Å; D287-N289 PolarHBondContact O-N 2.99Å; D287-N289 PolarHBondContact OD1-N 3.14Å; N289-A292 PolarHBondContact O-N 2.83Å; N289-S293 VanDerWaalsContact O-CB 3.27Å; N289-S293 WeakPolarHBondContact O-CB 3.5Å; N289-S293 PolarHBondContact O-N 2.88Å; N289-S293 PolarHBondContact O-OG 3.41Å; N289-S328 PolarHBondContact ND2-OG 3.42Å
290	R	94.3	Very high	93.1	Very high	133 Å²	133	42 Å²	42	50%	0.502	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-43.2	176.5	177.9	54.9	-178	153.6	1.2	111.7	G274 F275 D287 S293 S294	G274-R290 VanDerWaalsContact O-CG 3.31Å; G274-R290 WeakPolarHBondContact O-CG 3.35Å; F275-R290 HydrophobicContact CD1-CG 4.18Å; D287-R290 HydrophobicContact CB-CB 3.86Å; D287-R290 VanDerWaalsContact CG-CB 3.42Å; D287-R290 PolarHBondContact O-N 3.01Å; D287-R290 VanDerWaalsContact OD1-CB 3.24Å; D287-R290 WeakPolarHBondContact OD1-CB 3.39Å; D287-R290 PolarHBondContact OD1-N 3.28Å; R290-S293 PolarHBondContact O-N 3.22Å; R290-S294 PolarHBondContact O-N 3.01Å
291	F	94.9	Very high	93	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-51.1	175.5	-175.7	-99.2	0	0	0	111.5	F275 F286 D287 S293 S294 H297 A391 E394 A395	F275-F291 HydrophobicContact CD1-CB 3.99Å; F275-F291 AromaticContact CD1-CD2 3.94Å; F275-F291 HydrophobicContact CD1-CD2 3.94Å; F275-F291 HydrophobicContact CD1-CG 4.47Å; F275-F291 HydrophobicContact CE1-CB 4.42Å; F275-F291 HydrophobicContact CE1-CD2 4.1Å; F275-F291 HydrophobicContact CG-CD2 4.25Å; F286-F291 HydrophobicContact CE1-CB 3.58Å; F286-F291 HydrophobicContact CE1-CD1 4.25Å; F286-F291 HydrophobicContact CE1-CD2 4.21Å; F286-F291 AromaticContact CE1-CG 3.78Å; F286-F291 HydrophobicContact CE1-CG 3.78Å; F286-F291 HydrophobicContact CZ-CB 3.84Å; F286-F291 HydrophobicContact CZ-CD1 4.32Å; F286-F291 AromaticContact CZ-CD2 3.61Å; F286-F291 HydrophobicContact CZ-CD2 3.61Å; F286-F291 HydrophobicContact CZ-CE2 4.19Å; F286-F291 AromaticContact CZ-CG 3.67Å; F286-F291 HydrophobicContact CZ-CG 3.67Å; D287-F291 PolarHBondContact O-N 2.87Å; F291-S293 PolarHBondContact O-N 3.23Å; F291-S294 VanDerWaalsContact O-CB 3.29Å; F291-S294 WeakPolarHBondContact O-CB 3.38Å; F291-S294 PolarHBondContact O-N 2.7Å; F291-H297 HydrophobicContact CD1-CB 4Å; F291-H297 HydrophobicContact CD2-CB 3.89Å; F291-H297 AromaticContact CD2-CG 3.84Å; F291-H297 HydrophobicContact CE1-CB 3.74Å; F291-H297 HydrophobicContact CE2-CB 3.61Å; F291-H297 AromaticContact CE2-CD2 3.19Å; F291-H297 WeakPolarHBondContact CE2-CD2 3.27Å; F291-H297 AromaticContact CE2-CG 3.38Å; F291-H297 AromaticContact CE2-NE2 3.94Å; F291-H297 HydrophobicContact CG-CB 4.1Å; F291-H297 HydrophobicContact CZ-CB 3.53Å; F291-H297 AromaticContact CZ-CD2 3.49Å; F291-H297 VanDerWaalsContact CZ-CD2 3.49Å; F291-H297 WeakPolarHBondContact CZ-CD2 3.5Å; F291-H297 AromaticContact CZ-CG 3.71Å; F291-H297 WeakPolarHBondContact O-CB 3.37Å; F291-A391 HydrophobicContact CD1-CB 4.23Å; F291-A391 HydrophobicContact CE1-CB 3.81Å; F291-A391 WeakPolarHBondContact CE2-O 3.46Å; F291-A391 HydrophobicContact CZ-CB 4.04Å; F291-E394 HydrophobicContact CE2-CB 4.31Å; F291-E394 HydrophobicContact CZ-CB 4.05Å; F291-A395 HydrophobicContact CD2-CB 4Å; F291-A395 HydrophobicContact CE2-CB 3.86Å
292	A	91.3	Very high	93	Very high	27 Å²	27	34.5 Å²	34.5	22%	0.223	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-22.6	178.8	0	0	0	0	0	114	T288 N289	T288-A292 WeakPolarHBondContact O-CB 3.48Å; T288-A292 PolarHBondContact O-N 3.07Å; N289-A292 PolarHBondContact O-N 2.83Å
293	S	91.3	Very high	92.9	Very high	90 Å²	90	35.8 Å²	35.8	63%	0.629	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.8	175.8	-56.7	0	0	0	0	113.3	N289 R290 F291	N289-S293 VanDerWaalsContact O-CB 3.27Å; N289-S293 WeakPolarHBondContact O-CB 3.5Å; N289-S293 PolarHBondContact O-N 2.88Å; N289-S293 PolarHBondContact O-OG 3.41Å; R290-S293 PolarHBondContact O-N 3.22Å; F291-S293 PolarHBondContact O-N 3.23Å
294	S	91.9	Very high	92.6	Very high	17 Å²	17	36.5 Å²	36.5	12%	0.119	20%	0.2	C	C	.	.	S	Bend	trans	-77.4	132.5	178.7	-177.6	0	0	0	0	110.4	R290 F291 M296 H297	R290-S294 PolarHBondContact O-N 3.01Å; F291-S294 VanDerWaalsContact O-CB 3.29Å; F291-S294 WeakPolarHBondContact O-CB 3.38Å; F291-S294 PolarHBondContact O-N 2.7Å; S294-M296 PolarHBondContact O-N 2.97Å; S294-H297 PolarHBondContact O-N 3.22Å; S294-H297 VanDerWaalsContact O-N 3.1Å; S294-H297 PolarHBondContact OG-ND1 3.08Å; S294-H297 VanDerWaalsContact OG-ND1 3.11Å
295	P	87.1	Confident	92.2	Very high	137 Å²	137	42.2 Å²	42.2	89%	0.89	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.9	-175	-26.7	33.9	0	0	0	115.6
296	M	86.5	Confident	91.7	Very high	117 Å²	117	42.3 Å²	42.3	58%	0.576	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-13.2	-177.4	-61.7	-167.9	-61.4	0	0	113.4	S294 G398 S400	S294-M296 PolarHBondContact O-N 2.97Å; M296-G398 WeakPolarHBondContact CE-O 2.99Å; M296-S400 WeakPolarHBondContact O-CB 3.24Å
297	H	92	Very high	91.1	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.065	25%	0.25	C	C	.	.			trans	-117	152.5	-163.7	-64.2	105	0	0	0	112.7	F275 F291 S294 E394	F275-H297 AromaticContact CZ-CE1 3.72Å; F275-H297 AromaticContact CZ-ND1 3.79Å; F291-H297 HydrophobicContact CD1-CB 4Å; F291-H297 HydrophobicContact CD2-CB 3.89Å; F291-H297 AromaticContact CD2-CG 3.84Å; F291-H297 HydrophobicContact CE1-CB 3.74Å; F291-H297 HydrophobicContact CE2-CB 3.61Å; F291-H297 AromaticContact CE2-CD2 3.19Å; F291-H297 WeakPolarHBondContact CE2-CD2 3.27Å; F291-H297 AromaticContact CE2-CG 3.38Å; F291-H297 AromaticContact CE2-NE2 3.94Å; F291-H297 HydrophobicContact CG-CB 4.1Å; F291-H297 HydrophobicContact CZ-CB 3.53Å; F291-H297 AromaticContact CZ-CD2 3.49Å; F291-H297 VanDerWaalsContact CZ-CD2 3.49Å; F291-H297 WeakPolarHBondContact CZ-CD2 3.5Å; F291-H297 AromaticContact CZ-CG 3.71Å; F291-H297 WeakPolarHBondContact O-CB 3.37Å; S294-H297 PolarHBondContact O-N 3.22Å; S294-H297 VanDerWaalsContact O-N 3.1Å; S294-H297 PolarHBondContact OG-ND1 3.08Å; S294-H297 VanDerWaalsContact OG-ND1 3.11Å; H297-E394 PolarHBondContact NE2-O 3.4Å
298	F	91.3	Very high	90.4	Very high	53 Å²	53	46.2 Å²	46.2	23%	0.232	26%	0.261	C	S	.	.			trans	-140.8	110.6	178.7	-169.6	-79	0	0	0	110.2	R33 T34 P36 K301	R33-F298 HydrophobicContact CB-CZ 4.37Å; T34-F298 WeakPolarHBondContact O-CZ 3.31Å; P36-F298 HydrophobicContact CG-CB 4.39Å; P36-F298 HydrophobicContact CG-CD1 4.29Å; P36-F298 HydrophobicContact CG-CG 4.2Å; F298-K301 HydrophobicContact CD1-CB 4.09Å; F298-K301 HydrophobicContact CD1-CG 4.43Å
299	Y	92.8	Very high	89.9	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	27%	0.273	C	S	.	.	S	Bend	trans	-78.8	149.8	174.2	-171.5	-113.6	0	0	0	112	R33 T288 Y307 F332 N388 A391	R33-Y299 PolarHBondContact NH2-O 3.2Å; R33-Y299 VanDerWaalsContact NH2-O 3.14Å; T288-Y299 HydrophobicContact CG2-CD1 4.38Å; T288-Y299 HydrophobicContact CG2-CD2 4.45Å; T288-Y299 HydrophobicContact CG2-CE1 4.04Å; T288-Y299 HydrophobicContact CG2-CE2 4.15Å; Y299-Y307 AromaticContact CD1-CD2 3.72Å; Y299-Y307 HydrophobicContact CD1-CD2 3.72Å; Y299-Y307 AromaticContact CD1-CE2 3.76Å; Y299-Y307 HydrophobicContact CD1-CE2 3.76Å; Y299-Y307 HydrophobicContact CE1-CD2 4.49Å; Y299-F332 AromaticContact CE2-CE1 3.63Å; Y299-F332 HydrophobicContact CE2-CE1 3.63Å; Y299-F332 HydrophobicContact CE2-CZ 4.34Å; Y299-F332 AromaticContact CZ-CE1 3.92Å; Y299-N388 WeakPolarHBondContact CE2-OD1 3.43Å; Y299-N388 PolarHBondContact OH-OD1 2.85Å; Y299-A391 HydrophobicContact CD2-CB 3.75Å; Y299-A391 HydrophobicContact CE2-CB 4.04Å
300	A	91.8	Very high	89.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	56.8	51.4	-173.3	0	0	0	0	0	111.4	V303 P304 Y307 F383 D387	A300-V303 CarbonylContact O-C 3.57Å; A300-P304 WeakPolarHBondContact O-CA 3.42Å; A300-P304 WeakPolarHBondContact O-CG 3.49Å; A300-P304 VanDerWaalsContact O-N 3.14Å; A300-Y307 HydrophobicContact CB-CD2 4.13Å; A300-F383 HydrophobicContact CB-CE2 4.46Å; A300-D387 WeakPolarHBondContact CA-OD1 3.11Å
301	K	91	Very high	88.6	Confident	26 Å²	26	44.8 Å²	44.8	11%	0.113	27%	0.271	C	S	.	.	S	Bend	trans	-72.9	-36	-177.2	-168.9	175.5	-173.8	172.9	0	112	P36 L59 F298 D387 L390 E394 S400	P36-K301 HydrophobicContact CG-CD 4.06Å; P36-K301 HydrophobicContact CG-CG 3.56Å; L59-K301 HydrophobicContact CD1-CG 4.1Å; F298-K301 HydrophobicContact CD1-CB 4.09Å; F298-K301 HydrophobicContact CD1-CG 4.43Å; K301-D387 PolarHBondContact N-OD1 2.96Å; K301-L390 HydrophobicContact CB-CD1 4.38Å; K301-E394 IonicContact NZ-OE1 3.29Å; K301-E394 PolarHBondContact NZ-OE1 2.94Å; K301-S400 PolarHBondContact NZ-O 2.61Å
302	L	91.5	Very high	87.8	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.042	29%	0.288	C	S	.	.	S	Bend	trans	-82.1	-40.6	-177.9	-177.1	61.1	0	0	0	111.3	S58 L59 K382 H386 D387 L390 F406	S58-L302 VanDerWaalsContact C-CD1 3.46Å; S58-L302 WeakPolarHBondContact O-CD1 3.2Å; L59-L302 HydrophobicContact CB-CD1 4.33Å; L59-L302 HydrophobicContact CD1-CD1 4.2Å; L302-K382 HydrophobicContact CD2-CB 4.1Å; L302-K382 HydrophobicContact CD2-CG 4.18Å; L302-K382 WeakPolarHBondContact CD2-O 3.18Å; L302-K382 HydrophobicContact CG-CB 4.47Å; L302-H386 HydrophobicContact CD2-CB 3.78Å; L302-D387 PolarHBondContact N-OD1 3.2Å; L302-L390 HydrophobicContact CB-CD1 4.32Å; L302-F406 HydrophobicContact CD1-CB 4.16Å; L302-F406 HydrophobicContact CD1-CD2 4.22Å; L302-F406 HydrophobicContact CD1-CG 4.16Å; L302-F406 HydrophobicContact CD2-CD1 4.15Å; L302-F406 HydrophobicContact CD2-CE1 4.39Å; L302-F406 HydrophobicContact CD2-CG 4.28Å
303	V	92	Very high	87.4	Confident	31 Å²	31	47.6 Å²	47.6	19%	0.188	28%	0.279	C	S	.	.			trans	-124.8	75.7	173.3	-166.3	0	0	0	0	111.1	A300 T305 A306 K382 F383 D387	A300-V303 CarbonylContact O-C 3.57Å; V303-T305 PolarHBondContact O-N 3.31Å; V303-A306 HydrophobicContact CB-CB 4.08Å; V303-A306 HydrophobicContact CG1-CB 3.67Å; V303-A306 WeakPolarHBondContact O-CB 3.26Å; V303-A306 PolarHBondContact O-N 2.68Å; V303-K382 HydrophobicContact CG2-CB 3.77Å; V303-F383 HydrophobicContact CB-CB 4.03Å; V303-F383 HydrophobicContact CG2-CB 3.86Å; V303-D387 PolarHBondContact N-OD2 3.03Å
304	P	90.1	Very high	86.8	Confident	19 Å²	19	49 Å²	49	12%	0.123	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-56.9	-26.8	-178.5	-26.7	34.9	0	0	0	115	R33 Q35 A300 A306 Y307	R33-P304 HydrophobicContact CB-CB 4.03Å; R33-P304 WeakPolarHBondContact O-CB 3.35Å; Q35-P304 HydrophobicContact CB-CG 4.1Å; A300-P304 WeakPolarHBondContact O-CA 3.42Å; A300-P304 WeakPolarHBondContact O-CG 3.49Å; A300-P304 VanDerWaalsContact O-N 3.14Å; P304-A306 VanDerWaalsContact C-N 3.29Å; P304-A306 PolarHBondContact O-N 3.47Å; P304-Y307 WeakPolarHBondContact O-CB 3.36Å; P304-Y307 PolarHBondContact O-N 2.94Å
305	T	88.2	Confident	86	Confident	119 Å²	119	52.4 Å²	52.4	73%	0.73	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-72	-19.9	176.7	50.8	0	0	0	0	113.7	V303 Y307	V303-T305 PolarHBondContact O-N 3.31Å; T305-Y307 VanDerWaalsContact C-N 3.33Å
306	A	87.1	Confident	85.3	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.033	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-89.1	0.8	178.3	0	0	0	0	0	112.8	V303 P304 G308 D309 F383	V303-A306 HydrophobicContact CB-CB 4.08Å; V303-A306 HydrophobicContact CG1-CB 3.67Å; V303-A306 WeakPolarHBondContact O-CB 3.26Å; V303-A306 PolarHBondContact O-N 2.68Å; P304-A306 VanDerWaalsContact C-N 3.29Å; P304-A306 PolarHBondContact O-N 3.47Å; A306-G308 PolarHBondContact O-N 3.47Å; A306-G308 VanDerWaalsContact O-N 3.09Å; A306-D309 HydrophobicContact CB-CB 4.43Å; A306-D309 VanDerWaalsContact O-CB 3.26Å; A306-D309 WeakPolarHBondContact O-CB 3Å; A306-D309 PolarHBondContact O-N 2.92Å; A306-F383 HydrophobicContact CB-CB 4.34Å; A306-F383 HydrophobicContact CB-CD1 3.62Å; A306-F383 HydrophobicContact CB-CD2 3.8Å; A306-F383 HydrophobicContact CB-CE1 3.78Å; A306-F383 HydrophobicContact CB-CE2 3.97Å; A306-F383 HydrophobicContact CB-CG 3.62Å; A306-F383 HydrophobicContact CB-CZ 3.95Å; A306-F383 WeakPolarHBondContact O-CZ 3.39Å
307	Y	85	Confident	84.9	Confident	72 Å²	72	41.6 Å²	41.6	28%	0.282	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	117.1	175.1	-177	-95.2	0	0	0	110.9	R33 Y299 A300 P304 T305	R33-Y307 VanDerWaalsContact CD-CD1 3.49Å; Y299-Y307 AromaticContact CD1-CD2 3.72Å; Y299-Y307 HydrophobicContact CD1-CD2 3.72Å; Y299-Y307 AromaticContact CD1-CE2 3.76Å; Y299-Y307 HydrophobicContact CD1-CE2 3.76Å; Y299-Y307 HydrophobicContact CE1-CD2 4.49Å; A300-Y307 HydrophobicContact CB-CD2 4.13Å; P304-Y307 WeakPolarHBondContact O-CB 3.36Å; P304-Y307 PolarHBondContact O-N 2.94Å; T305-Y307 VanDerWaalsContact C-N 3.33Å
308	G	82	Confident	84.1	Confident	35 Å²	35	42.4 Å²	42.4	36%	0.361	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	7.5	-176.5	0	0	0	0	0	114.8	A306 T310	A306-G308 PolarHBondContact O-N 3.47Å; A306-G308 VanDerWaalsContact O-N 3.09Å; G308-T310 VanDerWaalsContact C-N 3.27Å; G308-T310 PolarHBondContact O-N 3.05Å
309	D	83.7	Confident	83.4	Confident	46 Å²	46	47 Å²	47	25%	0.246	27%	0.272	C	S	.	.			trans	-73	83.7	168.7	-169.4	-21.7	0	0	0	110	A306 S311 Q312 L313 F383	A306-D309 HydrophobicContact CB-CB 4.43Å; A306-D309 VanDerWaalsContact O-CB 3.26Å; A306-D309 WeakPolarHBondContact O-CB 3Å; A306-D309 PolarHBondContact O-N 2.92Å; D309-S311 PolarHBondContact O-N 2.9Å; D309-S311 PolarHBondContact OD1-N 3.31Å; D309-S311 PolarHBondContact OD1-OG 2.71Å; D309-Q312 PolarHBondContact O-N 2.76Å; D309-Q312 PolarHBondContact OD1-N 2.83Å; D309-Q312 VanDerWaalsContact OD1-N 3.16Å; D309-Q312 PolarHBondContact OD2-NE2 2.82Å; D309-L313 WeakPolarHBondContact O-CG 3.29Å; D309-L313 PolarHBondContact O-N 3.37Å; D309-F383 HydrophobicContact CB-CE1 4.29Å
310	T	80.7	Confident	82.5	Confident	50 Å²	50	48.4 Å²	48.4	31%	0.307	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-28.6	-179.3	56.7	0	0	0	0	112.1	G308 L313 E314 S329	G308-T310 VanDerWaalsContact C-N 3.27Å; G308-T310 PolarHBondContact O-N 3.05Å; T310-L313 PolarHBondContact O-N 3Å; T310-E314 WeakPolarHBondContact O-CB 3.39Å; T310-E314 WeakPolarHBondContact O-CG 3.49Å; T310-E314 PolarHBondContact O-N 3.16Å; T310-S329 WeakPolarHBondContact CG2-OG 3.43Å
311	S	79	Confident	81.5	Confident	75 Å²	75	49.5 Å²	49.5	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-68.4	-44.2	-178.1	73.6	0	0	0	0	112.3	D309 S315	D309-S311 PolarHBondContact O-N 2.9Å; D309-S311 PolarHBondContact OD1-N 3.31Å; D309-S311 PolarHBondContact OD1-OG 2.71Å; S311-S315 PolarHBondContact O-N 2.67Å; S311-S315 VanDerWaalsContact O-N 3.16Å
312	Q	78.3	Confident	80.6	Confident	79 Å²	79	50.9 Å²	50.9	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-70.2	-36.3	174.9	-74.5	-171.3	66.6	0	0	111.5	D309 S315 G316 F383	D309-Q312 PolarHBondContact O-N 2.76Å; D309-Q312 PolarHBondContact OD1-N 2.83Å; D309-Q312 VanDerWaalsContact OD1-N 3.16Å; D309-Q312 PolarHBondContact OD2-NE2 2.82Å; Q312-S315 PolarHBondContact O-N 3.03Å; Q312-S315 PolarHBondContact O-OG 2.96Å; Q312-G316 PolarHBondContact O-N 3.37Å; Q312-F383 HydrophobicContact CB-CD1 3.83Å; Q312-F383 HydrophobicContact CB-CE1 3.72Å
313	L	82.1	Confident	79.7	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-49	174.9	-75	165.4	0	0	0	111.9	D309 T310 S315 G316 E317 N330 F383 P384	D309-L313 WeakPolarHBondContact O-CG 3.29Å; D309-L313 PolarHBondContact O-N 3.37Å; T310-L313 PolarHBondContact O-N 3Å; L313-S315 PolarHBondContact O-N 2.95Å; L313-G316 PolarHBondContact O-N 2.9Å; L313-E317 WeakPolarHBondContact O-CG 3.18Å; L313-E317 PolarHBondContact O-N 2.65Å; L313-N330 HydrophobicContact CD1-CB 4.32Å; L313-F383 HydrophobicContact CD1-CZ 4.23Å; L313-F383 HydrophobicContact CD2-CE1 4.4Å; L313-F383 HydrophobicContact CD2-CZ 3.87Å; L313-F383 HydrophobicContact CG-CE1 4.08Å; L313-F383 HydrophobicContact CG-CZ 3.77Å; L313-P384 HydrophobicContact CD2-CB 3.58Å; L313-P384 HydrophobicContact CD2-CG 4.4Å; L313-P384 HydrophobicContact CG-CB 4.43Å
314	E	79.6	Confident	79.1	Confident	119 Å²	119	59.4 Å²	59.4	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-56.6	-39.4	175.5	-76.6	169.5	-171.4	0	0	111.7	T310 G316 E317	T310-E314 WeakPolarHBondContact O-CB 3.39Å; T310-E314 WeakPolarHBondContact O-CG 3.49Å; T310-E314 PolarHBondContact O-N 3.16Å; E314-G316 VanDerWaalsContact C-N 3.29Å; E314-G316 PolarHBondContact O-N 2.97Å; E314-E317 PolarHBondContact O-N 3.09Å
315	S	73.5	Confident	79	Confident	89 Å²	89	60.4 Å²	60.4	62%	0.622	37%	0.367	S	S	*	.	H	α-helix	trans	-63.3	-33.3	176.3	83.2	0	0	0	0	113.5	S311 Q312 L313 E317	S311-S315 PolarHBondContact O-N 2.67Å; S311-S315 VanDerWaalsContact O-N 3.16Å; Q312-S315 PolarHBondContact O-N 3.03Å; Q312-S315 PolarHBondContact O-OG 2.96Å; L313-S315 PolarHBondContact O-N 2.95Å; S315-E317 VanDerWaalsContact C-N 3.33Å
316	G	73	Confident	79.1	Confident	6 Å²	6	57 Å²	57	6%	0.062	34%	0.342	C	S	.	.	H	α-helix	trans	-77.2	-17	177.1	0	0	0	0	0	113.8	Q312 L313 E314	Q312-G316 PolarHBondContact O-N 3.37Å; L313-G316 PolarHBondContact O-N 2.9Å; E314-G316 VanDerWaalsContact C-N 3.29Å; E314-G316 PolarHBondContact O-N 2.97Å
317	E	78.5	Confident	79.3	Confident	22 Å²	22	63.3 Å²	63.3	10%	0.103	37%	0.369	C	S	.	.	H	α-helix	trans	-79.6	-25.3	179.7	-67.8	-149.6	136.4	0	0	114.1	L313 E314 S315 C321 K326 F332 K336	L313-E317 WeakPolarHBondContact O-CG 3.18Å; L313-E317 PolarHBondContact O-N 2.65Å; E314-E317 PolarHBondContact O-N 3.09Å; S315-E317 VanDerWaalsContact C-N 3.33Å; E317-C321 PolarHBondContact O-SG 2.97Å; E317-K326 WeakPolarHBondContact OE1-CE 3.38Å; E317-K326 IonicContact OE1-NZ 3.29Å; E317-K326 PolarHBondContact OE1-NZ 2.75Å; E317-K326 WeakPolarHBondContact OE2-CE 3.23Å; E317-K326 IonicContact OE2-NZ 3.99Å; E317-K326 PolarHBondContact OE2-NZ 3.17Å; E317-F332 WeakPolarHBondContact OE1-CA 3.41Å; E317-K336 WeakPolarHBondContact O-CE 3.29Å; E317-K336 PolarHBondContact O-NZ 3.02Å
318	G	75.6	Confident	79.6	Confident	30 Å²	30	60.9 Å²	60.9	31%	0.309	36%	0.362	S	S	.	.			trans	85.1	163	-179.4	0	0	0	0	0	114.7	D124 L320	D124-G318 WeakPolarHBondContact OD2-CA 3.4Å; G318-L320 VanDerWaalsContact C-N 3.33Å; G318-L320 PolarHBondContact O-N 3.37Å
319	E	76.3	Confident	79.8	Confident	149 Å²	149	62.4 Å²	62.4	70%	0.696	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.7	-170.2	-64.6	-177.9	-177	0	0	114.3	D124 K128	D124-E319 PolarHBondContact OD2-N 3.23Å; K128-E319 IonicContact NZ-OE1 2.76Å; K128-E319 IonicContact NZ-OE2 2.82Å; K128-E319 PolarHBondContact NZ-OE2 2.98Å
320	L	73	Confident	80	Confident	31 Å²	31	61.1 Å²	61.1	16%	0.162	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	2.2	-171.8	-60	179.1	0	0	0	113.7	D124 I127 G318 K339 E342	D124-L320 HydrophobicContact CB-CD1 4.15Å; D124-L320 HydrophobicContact CB-CG 4.16Å; D124-L320 WeakPolarHBondContact OD2-CB 3.44Å; D124-L320 PolarHBondContact OD2-N 3.02Å; I127-L320 HydrophobicContact CB-CD1 4.17Å; I127-L320 HydrophobicContact CD1-CD1 4.2Å; I127-L320 HydrophobicContact CG2-CD1 3.94Å; G318-L320 VanDerWaalsContact C-N 3.33Å; G318-L320 PolarHBondContact O-N 3.37Å; L320-K339 PolarHBondContact O-NZ 3.04Å; L320-E342 HydrophobicContact CD1-CG 4.41Å
321	C	71	Confident	80.6	Confident	24 Å²	24	58.8 Å²	58.8	16%	0.162	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-60.7	155	179.2	-89.2	0	0	0	0	114.1	E317 K336 K339	E317-C321 PolarHBondContact O-SG 2.97Å; C321-K336 VanDerWaalsContact SG-CE 3.53Å; C321-K339 PolarHBondContact O-NZ 2.81Å
322	I	71.9	Confident	81.3	Confident	54 Å²	54	55.4 Å²	55.4	28%	0.277	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-89.8	122.4	172.6	-60.6	171.7	0	0	0	107.7	E325 A337 K339	I322-E325 HydrophobicContact CB-CG 4.48Å; I322-E325 HydrophobicContact CG2-CG 4.24Å; I322-A337 HydrophobicContact CD1-CB 4.49Å; I322-K339 VanDerWaalsContact CG1-CE 3.48Å
323	T	74.1	Confident	82.1	Confident	135 Å²	135	51.9 Å²	51.9	83%	0.828	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	140.4	-178.4	54.7	0	0	0	0	111.6
324	G	79.1	Confident	82.8	Confident	83 Å²	83	51.6 Å²	51.6	86%	0.856	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	6.4	166.1	0	0	0	0	0	116.8
325	E	87	Confident	83.6	Confident	41 Å²	41	46 Å²	46	19%	0.192	28%	0.279	C	S	.	.			trans	-95.6	-10	178.9	58.2	179.4	-167	0	0	115	V279 S281 S283 Y285 I322	V279-E325 HydrophobicContact CB-CB 4.47Å; V279-E325 HydrophobicContact CG1-CB 4.49Å; V279-E325 WeakPolarHBondContact CG1-O 3.28Å; V279-E325 HydrophobicContact CG2-CB 4.46Å; V279-E325 HydrophobicContact CG2-CG 4.27Å; S281-E325 WeakPolarHBondContact CB-OE2 3Å; S281-E325 VanDerWaalsContact OG-CD 3.28Å; S281-E325 PolarHBondContact OG-OE1 3.02Å; S281-E325 PolarHBondContact OG-OE2 3.46Å; S283-E325 VanDerWaalsContact CB-OE1 3.29Å; S283-E325 WeakPolarHBondContact CB-OE1 3.48Å; S283-E325 PolarHBondContact OG-OE1 3.46Å; Y285-E325 HydrophobicContact CE2-CG 3.67Å; Y285-E325 WeakPolarHBondContact CE2-OE1 3.49Å; Y285-E325 WeakPolarHBondContact OH-CG 3.32Å; Y285-E325 PolarHBondContact OH-OE1 3.23Å; I322-E325 HydrophobicContact CB-CG 4.48Å; I322-E325 HydrophobicContact CG2-CG 4.24Å
326	K	90.9	Very high	84.6	Confident	46 Å²	46	42.2 Å²	42.2	20%	0.2	25%	0.251	C	S	.	.			trans	-77.3	147.2	-178.9	-53.5	178.5	-174	178.7	0	112.2	Y285 E317 S328 D331	Y285-K326 HydrophobicContact CD1-CD 4.22Å; Y285-K326 HydrophobicContact CD1-CG 3.84Å; Y285-K326 HydrophobicContact CD2-CG 4.46Å; Y285-K326 HydrophobicContact CE1-CD 4.08Å; Y285-K326 HydrophobicContact CE1-CG 3.67Å; Y285-K326 HydrophobicContact CE2-CG 4.3Å; Y285-K326 HydrophobicContact CG-CG 4.23Å; E317-K326 WeakPolarHBondContact OE1-CE 3.38Å; E317-K326 IonicContact OE1-NZ 3.29Å; E317-K326 PolarHBondContact OE1-NZ 2.75Å; E317-K326 WeakPolarHBondContact OE2-CE 3.23Å; E317-K326 IonicContact OE2-NZ 3.99Å; E317-K326 PolarHBondContact OE2-NZ 3.17Å; K326-S328 VanDerWaalsContact C-N 3.31Å; K326-S328 VanDerWaalsContact CB-O 3.29Å; K326-S328 WeakPolarHBondContact CB-O 3.41Å; K326-S328 WeakPolarHBondContact CD-O 3.21Å; K326-D331 HydrophobicContact CB-CB 4.49Å; K326-D331 HydrophobicContact CD-CB 4.35Å; K326-D331 WeakPolarHBondContact CD-O 3.08Å; K326-D331 VanDerWaalsContact CE-O 3.29Å; K326-D331 WeakPolarHBondContact CE-O 3.08Å; K326-D331 PolarHBondContact NZ-O 3.46Å
327	K	91.8	Very high	85.6	Confident	138 Å²	138	42.6 Å²	42.6	60%	0.6	25%	0.254	S	S	*	.	S	Bend	trans	-65.3	-35.6	168.6	-66	176.5	-172.6	166.7	0	112.3	Y277 D287	Y277-K327 HydrophobicContact CD1-CD 3.92Å; Y277-K327 HydrophobicContact CD2-CD 4.23Å; Y277-K327 HydrophobicContact CD2-CG 4.32Å; Y277-K327 HydrophobicContact CE1-CB 4.38Å; Y277-K327 HydrophobicContact CE1-CD 3.68Å; Y277-K327 HydrophobicContact CE1-CG 4.09Å; Y277-K327 HydrophobicContact CE2-CB 4.45Å; Y277-K327 HydrophobicContact CE2-CD 4.01Å; Y277-K327 HydrophobicContact CE2-CG 3.73Å; Y277-K327 HydrophobicContact CG-CD 4.19Å; Y277-K327 PolarHBondContact OH-N 2.93Å; D287-K327 IonicContact OD2-NZ 2.7Å; D287-K327 PolarHBondContact OD2-NZ 3.18Å
328	S	89.8	Confident	86.3	Confident	20 Å²	20	42.9 Å²	42.9	14%	0.14	26%	0.258	C	S	.	.	S	Bend	trans	-137.2	146.2	-178.6	178.4	0	0	0	0	110.3	N289 K326 N330 D331	N289-S328 PolarHBondContact ND2-OG 3.42Å; K326-S328 VanDerWaalsContact C-N 3.31Å; K326-S328 VanDerWaalsContact CB-O 3.29Å; K326-S328 WeakPolarHBondContact CB-O 3.41Å; K326-S328 WeakPolarHBondContact CD-O 3.21Å; S328-N330 PolarHBondContact O-N 3.35Å; S328-N330 PolarHBondContact OG-N 3.07Å; S328-D331 PolarHBondContact N-OD2 3.05Å; S328-D331 WeakPolarHBondContact O-CB 3.1Å; S328-D331 PolarHBondContact O-N 2.78Å
329	S	86.8	Confident	87	Confident	67 Å²	67	45.5 Å²	45.5	47%	0.469	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.4	173.2	54.4	0	0	0	0	112.8	T310 D331	T310-S329 WeakPolarHBondContact CG2-OG 3.43Å; S329-D331 VanDerWaalsContact C-N 3.33Å
330	N	88.3	Confident	87.7	Confident	20 Å²	20	43.3 Å²	43.3	11%	0.107	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-16	178.7	-64	-19.9	0	0	0	113.3	T288 L313 S328	T288-N330 WeakPolarHBondContact CG2-O 3.45Å; T288-N330 WeakPolarHBondContact OG1-CB 3.31Å; L313-N330 HydrophobicContact CD1-CB 4.32Å; S328-N330 PolarHBondContact O-N 3.35Å; S328-N330 PolarHBondContact OG-N 3.07Å
331	D	92.9	Very high	88.7	Confident	1 Å²	1	42 Å²	42	1%	0.005	25%	0.254	C	S	.	.			trans	-70.4	143.6	-179.8	-64.3	-14.5	0	0	0	110	Y277 F286 T288 K326 S328 S329	Y277-D331 WeakPolarHBondContact CE1-OD2 3.47Å; Y277-D331 PolarHBondContact OH-OD2 2.92Å; F286-D331 WeakPolarHBondContact O-CA 3.35Å; F286-D331 WeakPolarHBondContact O-CB 3.49Å; F286-D331 VanDerWaalsContact O-OD1 3.12Å; T288-D331 PolarHBondContact N-OD1 3.44Å; T288-D331 PolarHBondContact OG1-OD1 3.02Å; K326-D331 HydrophobicContact CB-CB 4.49Å; K326-D331 HydrophobicContact CD-CB 4.35Å; K326-D331 WeakPolarHBondContact CD-O 3.08Å; K326-D331 VanDerWaalsContact CE-O 3.29Å; K326-D331 WeakPolarHBondContact CE-O 3.08Å; K326-D331 PolarHBondContact NZ-O 3.46Å; S328-D331 PolarHBondContact N-OD2 3.05Å; S328-D331 WeakPolarHBondContact O-CB 3.1Å; S328-D331 PolarHBondContact O-N 2.78Å; S329-D331 VanDerWaalsContact C-N 3.33Å
332	F	94.1	Very high	89.8	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.013	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.1	-177.8	54.9	-92.9	0	0	0	111.3	Y285 F286 T288 Y299 E317 L334 N388 A391 Q392	Y285-F332 WeakPolarHBondContact CA-O 3.44Å; F286-F332 HydrophobicContact CB-CD1 4.35Å; F286-F332 HydrophobicContact CB-CD2 3.91Å; F286-F332 HydrophobicContact CB-CE1 3.99Å; F286-F332 HydrophobicContact CB-CE2 3.51Å; F286-F332 HydrophobicContact CB-CG 4.32Å; F286-F332 HydrophobicContact CB-CZ 3.57Å; F286-F332 AromaticContact CD1-CE1 3.63Å; F286-F332 HydrophobicContact CD1-CE1 3.63Å; F286-F332 HydrophobicContact CD1-CE2 4.26Å; F286-F332 AromaticContact CD1-CZ 3.44Å; F286-F332 HydrophobicContact CD1-CZ 3.44Å; F286-F332 VanDerWaalsContact CD1-CZ 3.44Å; F286-F332 HydrophobicContact CD2-CE2 4.3Å; F286-F332 HydrophobicContact CD2-CZ 4.09Å; F286-F332 HydrophobicContact CE1-CE1 4.37Å; F286-F332 HydrophobicContact CE1-CZ 4.09Å; F286-F332 AromaticContact CG-CE1 3.99Å; F286-F332 HydrophobicContact CG-CE1 3.99Å; F286-F332 AromaticContact CG-CE2 3.79Å; F286-F332 HydrophobicContact CG-CE2 3.79Å; F286-F332 AromaticContact CG-CZ 3.43Å; F286-F332 HydrophobicContact CG-CZ 3.43Å; F286-F332 VanDerWaalsContact CG-CZ 3.43Å; F286-F332 PolarHBondContact N-O 3.41Å; T288-F332 HydrophobicContact CG2-CD1 3.85Å; T288-F332 HydrophobicContact CG2-CE1 3.62Å; Y299-F332 AromaticContact CE2-CE1 3.63Å; Y299-F332 HydrophobicContact CE2-CE1 3.63Å; Y299-F332 HydrophobicContact CE2-CZ 4.34Å; Y299-F332 AromaticContact CZ-CE1 3.92Å; E317-F332 WeakPolarHBondContact OE1-CA 3.41Å; F332-L334 HydrophobicContact CD2-CD2 4.33Å; F332-L334 HydrophobicContact CE2-CD2 4Å; F332-N388 WeakPolarHBondContact CD1-OD1 3.39Å; F332-N388 HydrophobicContact CD2-CB 4.15Å; F332-N388 HydrophobicContact CE1-CB 4.19Å; F332-N388 WeakPolarHBondContact CE1-OD1 3.21Å; F332-N388 HydrophobicContact CE2-CB 3.79Å; F332-N388 WeakPolarHBondContact CG-ND2 3.43Å; F332-N388 HydrophobicContact CZ-CB 3.8Å; F332-A391 HydrophobicContact CZ-CB 4.43Å; F332-Q392 HydrophobicContact CE2-CG 3.87Å; F332-Q392 HydrophobicContact CZ-CG 4.35Å
333	A	94.7	Very high	90.8	Very high	6 Å²	6	39.2 Å²	39.2	5%	0.05	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.5	-175	0	0	0	0	0	112.5	Y285 K336	Y285-A333 HydrophobicContact CD1-CB 4.22Å; Y285-A333 HydrophobicContact CE1-CB 3.95Å; A333-K336 HydrophobicContact CB-CG 3.84Å
334	L	97.2	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-37.5	165.4	-57.1	-174.8	0	0	0	111	V267 I270 A276 V284 F286 F332 G355 I358 Q392	V267-L334 HydrophobicContact CG1-CB 4.03Å; V267-L334 HydrophobicContact CG1-CD1 4.23Å; V267-L334 HydrophobicContact CG2-CB 3.93Å; I270-L334 HydrophobicContact CB-CD1 4.45Å; I270-L334 HydrophobicContact CD1-CD1 4.23Å; I270-L334 HydrophobicContact CG2-CD1 4.06Å; A276-L334 HydrophobicContact CB-CD1 3.59Å; V284-L334 HydrophobicContact CB-CB 4.45Å; V284-L334 HydrophobicContact CG1-CB 4.32Å; V284-L334 HydrophobicContact CG1-CD1 4.3Å; V284-L334 PolarHBondContact O-N 3.12Å; F286-L334 HydrophobicContact CB-CD1 4.33Å; F286-L334 HydrophobicContact CB-CD2 4Å; F286-L334 HydrophobicContact CB-CG 4.11Å; F286-L334 HydrophobicContact CD2-CD1 4.25Å; F286-L334 HydrophobicContact CD2-CD2 4.25Å; F332-L334 HydrophobicContact CD2-CD2 4.33Å; F332-L334 HydrophobicContact CE2-CD2 4Å; L334-G355 PolarHBondContact O-N 3.18Å; L334-I358 HydrophobicContact CD2-CD1 4.44Å; L334-I358 WeakPolarHBondContact O-CG2 3.35Å; L334-Q392 HydrophobicContact CD2-CG 3.75Å
335	W	97.3	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132	177	-174.1	-98.5	0	0	0	108.8	I260 I263 I264 S283 V284 W345 S347 W349 G352	I260-W335 HydrophobicContact CG2-CH2 4.24Å; I263-W335 HydrophobicContact CG2-CZ3 4.49Å; I264-W335 HydrophobicContact CD1-CH2 3.91Å; I264-W335 HydrophobicContact CD1-CZ3 4.24Å; I264-W335 HydrophobicContact CG1-CE3 4.34Å; I264-W335 HydrophobicContact CG1-CH2 3.87Å; I264-W335 HydrophobicContact CG1-CZ3 3.71Å; S283-W335 CarbonylContact C-O 3.57Å; S283-W335 VanDerWaalsContact CA-O 3.28Å; S283-W335 WeakPolarHBondContact CA-O 3.2Å; S283-W335 WeakPolarHBondContact CB-O 3.36Å; V284-W335 HydrophobicContact CB-CB 3.87Å; V284-W335 HydrophobicContact CG2-CB 3.93Å; V284-W335 PolarHBondContact N-O 3.18Å; V284-W335 PolarHBondContact O-N 3.35Å; W335-W345 HydrophobicContact CH2-CB 4.27Å; W335-S347 PolarHBondContact NE1-OG 2.7Å; W335-W349 HydrophobicContact CB-CE3 4.33Å; W335-W349 HydrophobicContact CB-CZ3 4.32Å; W335-W349 AromaticContact CD1-CE3 3.93Å; W335-W349 HydrophobicContact CD2-CE3 4.36Å; W335-W349 HydrophobicContact CD2-CZ3 4.27Å; W335-W349 AromaticContact CG-CE3 3.97Å; W335-W349 HydrophobicContact CG-CE3 3.97Å; W335-W349 HydrophobicContact CG-CZ3 4.14Å; W335-G352 VanDerWaalsContact CZ2-O 3.27Å; W335-G352 WeakPolarHBondContact CZ2-O 3.13Å
336	K	94.3	Very high	93.1	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.2	-178.6	-64.6	177.1	177	-178.8	0	109.2	D124 E317 C321 A333 S338 G352 R353	D124-K336 IonicContact OD1-NZ 3.49Å; D124-K336 PolarHBondContact OD1-NZ 2.86Å; D124-K336 IonicContact OD2-NZ 3.66Å; E317-K336 WeakPolarHBondContact O-CE 3.29Å; E317-K336 PolarHBondContact O-NZ 3.02Å; C321-K336 VanDerWaalsContact SG-CE 3.53Å; A333-K336 HydrophobicContact CB-CG 3.84Å; K336-S338 PolarHBondContact O-N 3.1Å; K336-G352 CarbonylContact O-C 3.58Å; K336-G352 WeakPolarHBondContact O-CA 3.46Å; K336-R353 HydrophobicContact CB-CG 4.24Å; K336-R353 PolarHBondContact N-O 3.17Å; K336-R353 PolarHBondContact O-N 2.98Å
337	A	94.2	Very high	93.4	Very high	14 Å²	14	34.4 Å²	34.4	12%	0.116	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.6	168.8	0	0	0	0	0	109.9	S281 S283 I322	S281-A337 VanDerWaalsContact O-CB 3.24Å; S281-A337 WeakPolarHBondContact O-CB 3.35Å; S283-A337 PolarHBondContact OG-N 3.09Å; S283-A337 VanDerWaalsContact OG-N 3.12Å; I322-A337 HydrophobicContact CD1-CB 4.49Å
338	S	92	Very high	93.7	Very high	28 Å²	28	32.3 Å²	32.3	20%	0.196	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-82.7	139	-177	-65.2	0	0	0	0	111.2	K336 P343 S344 K351 G352	K336-S338 PolarHBondContact O-N 3.1Å; S338-P343 PolarHBondContact OG-O 3.07Å; S338-S344 VanDerWaalsContact CB-CB 3.45Å; S338-S344 VanDerWaalsContact OG-CB 3.29Å; S338-S344 WeakPolarHBondContact OG-CB 3.09Å; S338-K351 PolarHBondContact N-O 3.34Å; S338-G352 WeakPolarHBondContact OG-CA 3.38Å
339	K	90.7	Very high	94	Very high	84 Å²	84	33.3 Å²	33.3	37%	0.365	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-90.2	163.6	171.4	-62.5	168.3	-174.3	157.3	0	110.5	L320 C321 I322 G341 E342	L320-K339 PolarHBondContact O-NZ 3.04Å; C321-K339 PolarHBondContact O-NZ 2.81Å; I322-K339 VanDerWaalsContact CG1-CE 3.48Å; K339-G341 PolarHBondContact O-N 2.64Å; K339-E342 WeakPolarHBondContact O-CB 3.38Å; K339-E342 PolarHBondContact O-N 2.7Å; K339-E342 VanDerWaalsContact O-N 3.1Å
340	P	91.8	Very high	94.4	Very high	103 Å²	103	31.8 Å²	31.8	67%	0.669	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	135.2	167.7	-25	35	0	0	0	110.8	A219	A219-P340 HydrophobicContact CB-CB 4.24Å; A219-P340 CarbonylContact O-C 3.4Å
341	G	93.1	Very high	94.8	Very high	5 Å²	5	38 Å²	38	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	4.3	-172.8	0	0	0	0	0	115	R131 G218 A219 I221 K339	R131-G341 WeakPolarHBondContact CD-O 3.5Å; R131-G341 PolarHBondContact NH1-O 3.04Å; G218-G341 WeakPolarHBondContact O-CA 3.4Å; A219-G341 PolarHBondContact O-N 3.46Å; I221-G341 CarbonylContact O-C 3.59Å; I221-G341 VanDerWaalsContact O-CA 3.23Å; I221-G341 WeakPolarHBondContact O-CA 3.38Å; K339-G341 PolarHBondContact O-N 2.64Å
342	E	93.6	Very high	94.9	Very high	16 Å²	16	38 Å²	38	8%	0.075	22%	0.219	C	C	.	.	S	Bend	trans	-119.8	144.2	176.5	-58.9	-174.6	-150.8	0	0	110.5	I127 L320 K339 R353	I127-E342 HydrophobicContact CD1-CB 4.49Å; I127-E342 HydrophobicContact CG2-CG 4.17Å; L320-E342 HydrophobicContact CD1-CG 4.41Å; K339-E342 WeakPolarHBondContact O-CB 3.38Å; K339-E342 PolarHBondContact O-N 2.7Å; K339-E342 VanDerWaalsContact O-N 3.1Å; E342-R353 IonicContact OE2-CZ 2.7Å; E342-R353 IonicContact OE2-NE 3.11Å; E342-R353 PolarHBondContact OE2-NE 3.06Å; E342-R353 IonicContact OE2-NH2 2.66Å; E342-R353 PolarHBondContact OE2-NH2 3.4Å; E342-R353 VanDerWaalsContact OE2-NH2 3.1Å
343	P	94.1	Very high	95	Very high	3 Å²	3	38 Å²	38	2%	0.019	22%	0.219	C	C	.	.			trans	-63.8	150.3	167.4	31	-34.9	0	0	0	109.7	I122 I127 H224 F227 S338 W345	I122-P343 HydrophobicContact CD1-CB 4.44Å; I122-P343 HydrophobicContact CD1-CG 3.32Å; I122-P343 HydrophobicContact CG1-CG 4.43Å; I127-P343 HydrophobicContact CD1-CG 4.19Å; I127-P343 HydrophobicContact CG1-CG 4.01Å; H224-P343 WeakPolarHBondContact NE2-CA 3.46Å; F227-P343 HydrophobicContact CD1-CG 4.48Å; F227-P343 HydrophobicContact CD2-CB 3.92Å; F227-P343 HydrophobicContact CD2-CG 4.03Å; F227-P343 HydrophobicContact CE2-CB 4.26Å; F227-P343 HydrophobicContact CE2-CG 4.36Å; F227-P343 HydrophobicContact CG-CB 4.41Å; F227-P343 HydrophobicContact CG-CG 4.09Å; S338-P343 PolarHBondContact OG-O 3.07Å; P343-W345 HydrophobicContact CB-CH2 4.15Å; P343-W345 HydrophobicContact CB-CZ3 4.27Å
344	S	95.1	Very high	95.1	Very high	30 Å²	30	37.9 Å²	37.9	21%	0.21	22%	0.217	C	C	.	.			trans	-156.6	140.8	-172.2	77.5	0	0	0	0	110.1	H224 S338 G352	H224-S344 PolarHBondContact CE1-O 2.82Å; H224-S344 VanDerWaalsContact CE1-O 3.24Å; H224-S344 PolarHBondContact NE2-N 2.63Å; H224-S344 VanDerWaalsContact NE2-N 3.15Å; H224-S344 PolarHBondContact NE2-O 3.35Å; S338-S344 VanDerWaalsContact CB-CB 3.45Å; S338-S344 VanDerWaalsContact OG-CB 3.29Å; S338-S344 WeakPolarHBondContact OG-CB 3.09Å; S344-G352 CarbonylContact C-O 3.53Å; S344-G352 WeakPolarHBondContact CA-O 3.41Å
345	W	96.5	Very high	94.9	Very high	49 Å²	49	37.9 Å²	37.9	19%	0.186	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.5	174.4	-66.2	-97	0	0	0	110	I122 T257 I260 W335 P343 K351 G352 R353	I122-W345 HydrophobicContact CB-CH2 4.46Å; I122-W345 HydrophobicContact CD1-CH2 4.43Å; I122-W345 HydrophobicContact CG1-CH2 4.07Å; I122-W345 HydrophobicContact CG1-CZ3 4.17Å; T257-W345 HydrophobicContact CG2-CH2 4.15Å; T257-W345 HydrophobicContact CG2-CZ2 3.99Å; I260-W345 HydrophobicContact CB-CG 4.49Å; I260-W345 HydrophobicContact CD1-CD2 3.98Å; I260-W345 HydrophobicContact CD1-CE3 4.08Å; I260-W345 HydrophobicContact CD1-CG 4.46Å; I260-W345 HydrophobicContact CD1-CZ2 4.44Å; I260-W345 HydrophobicContact CD1-CZ3 4.36Å; I260-W345 HydrophobicContact CG1-CD2 4.04Å; I260-W345 HydrophobicContact CG1-CG 4.16Å; I260-W345 HydrophobicContact CG1-CZ2 4.49Å; I260-W345 HydrophobicContact CG2-CB 3.71Å; I260-W345 HydrophobicContact CG2-CD2 4.36Å; I260-W345 HydrophobicContact CG2-CG 3.75Å; W335-W345 HydrophobicContact CH2-CB 4.27Å; P343-W345 HydrophobicContact CB-CH2 4.15Å; P343-W345 HydrophobicContact CB-CZ3 4.27Å; W345-K351 WeakPolarHBondContact O-CA 3.36Å; W345-G352 PolarHBondContact N-O 3.44Å; W345-G352 PolarHBondContact O-N 3.46Å; W345-R353 HydrophobicContact CE3-CB 4.03Å; W345-R353 HydrophobicContact CZ3-CB 3.83Å
346	P	96.9	Very high	94.7	Very high	103 Å²	103	40.6 Å²	40.6	67%	0.669	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.2	173.5	28.8	-33.8	0	0	0	110.5	I264	I264-P346 VanDerWaalsContact CD1-O 3.3Å; I264-P346 WeakPolarHBondContact CD1-O 3.5Å
347	S	97	Very high	94.7	Very high	21 Å²	21	40.3 Å²	40.3	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	166.8	171.3	80.4	0	0	0	0	110.2	W335 W349 G350	W335-S347 PolarHBondContact NE1-OG 2.7Å; S347-W349 PolarHBondContact O-N 2.77Å; S347-W349 PolarHBondContact OG-N 3.28Å; S347-G350 WeakPolarHBondContact CB-O 3.47Å; S347-G350 PolarHBondContact N-O 3.29Å; S347-G350 VanDerWaalsContact N-O 3.1Å; S347-G350 PolarHBondContact O-N 2.84Å; S347-G350 VanDerWaalsContact O-N 3.13Å; S347-G350 PolarHBondContact OG-N 3.27Å; S347-G350 PolarHBondContact OG-O 2.66Å
348	P	97.1	Very high	94.9	Very high	94 Å²	94	39.7 Å²	39.7	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.3	175.5	-25.8	35.9	0	0	0	114.6	I264	I264-P348 HydrophobicContact CG2-CG 4.13Å
349	W	96.5	Very high	95.2	Very high	42 Å²	42	38.5 Å²	38.5	16%	0.159	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.2	-176.3	-41.1	-66.8	0	0	0	113.1	I264 V267 K268 I271 V278 G282 V284 W335 S347	I264-W349 HydrophobicContact CG2-CH2 4.19Å; I264-W349 HydrophobicContact CG2-CZ3 4.3Å; V267-W349 HydrophobicContact CB-CH2 3.68Å; V267-W349 HydrophobicContact CB-CZ2 4.47Å; V267-W349 HydrophobicContact CB-CZ3 4.25Å; V267-W349 HydrophobicContact CG1-CH2 3.43Å; V267-W349 VanDerWaalsContact CG1-CH2 3.43Å; V267-W349 HydrophobicContact CG1-CZ2 3.95Å; V267-W349 HydrophobicContact CG1-CZ3 3.89Å; K268-W349 HydrophobicContact CB-CH2 4.46Å; K268-W349 HydrophobicContact CB-CZ2 4.08Å; I271-W349 HydrophobicContact CD1-CZ2 3.55Å; V278-W349 HydrophobicContact CG1-CB 3.89Å; V278-W349 HydrophobicContact CG1-CG 4.03Å; V278-W349 HydrophobicContact CG2-CG 4.1Å; G282-W349 WeakPolarHBondContact CA-O 3.46Å; G282-W349 WeakPolarHBondContact O-CB 3.41Å; V284-W349 HydrophobicContact CG2-CB 4.35Å; V284-W349 HydrophobicContact CG2-CD2 3.49Å; V284-W349 VanDerWaalsContact CG2-CD2 3.49Å; V284-W349 HydrophobicContact CG2-CE3 3.66Å; V284-W349 HydrophobicContact CG2-CG 3.79Å; V284-W349 HydrophobicContact CG2-CZ2 4.5Å; V284-W349 HydrophobicContact CG2-CZ3 4.24Å; W335-W349 HydrophobicContact CB-CE3 4.33Å; W335-W349 HydrophobicContact CB-CZ3 4.32Å; W335-W349 AromaticContact CD1-CE3 3.93Å; W335-W349 HydrophobicContact CD2-CE3 4.36Å; W335-W349 HydrophobicContact CD2-CZ3 4.27Å; W335-W349 AromaticContact CG-CE3 3.97Å; W335-W349 HydrophobicContact CG-CE3 3.97Å; W335-W349 HydrophobicContact CG-CZ3 4.14Å; S347-W349 PolarHBondContact O-N 2.77Å; S347-W349 PolarHBondContact OG-N 3.28Å
350	G	95.2	Very high	95.5	Very high	35 Å²	35	34.5 Å²	34.5	36%	0.361	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	120.6	-174.5	-174.4	0	0	0	0	0	112.7	S347	S347-G350 WeakPolarHBondContact CB-O 3.47Å; S347-G350 PolarHBondContact N-O 3.29Å; S347-G350 VanDerWaalsContact N-O 3.1Å; S347-G350 PolarHBondContact O-N 2.84Å; S347-G350 VanDerWaalsContact O-N 3.13Å; S347-G350 PolarHBondContact OG-N 3.27Å; S347-G350 PolarHBondContact OG-O 2.66Å
351	K	95.8	Very high	95.8	Very high	150 Å²	150	29.6 Å²	29.6	65%	0.652	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	133	176.8	-70.9	-174.2	177.5	-175.6	0	110.4	S338 W345	S338-K351 PolarHBondContact N-O 3.34Å; W345-K351 WeakPolarHBondContact O-CA 3.36Å
352	G	95.7	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	-164.6	-179	0	0	0	0	0	113.5	W335 K336 S338 S344 W345	W335-G352 VanDerWaalsContact CZ2-O 3.27Å; W335-G352 WeakPolarHBondContact CZ2-O 3.13Å; K336-G352 CarbonylContact O-C 3.58Å; K336-G352 WeakPolarHBondContact O-CA 3.46Å; S338-G352 WeakPolarHBondContact OG-CA 3.38Å; S344-G352 CarbonylContact C-O 3.53Å; S344-G352 WeakPolarHBondContact CA-O 3.41Å; W345-G352 PolarHBondContact N-O 3.44Å; W345-G352 PolarHBondContact O-N 3.46Å
353	R	95.7	Very high	96.3	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.4	179	61.5	-176.8	171.2	91.9	-1.9	110.3	D124 K336 E342 W345	D124-R353 IonicContact OD1-CZ 3.15Å; D124-R353 IonicContact OD1-NH1 3.81Å; D124-R353 PolarHBondContact OD1-NH1 3.16Å; D124-R353 IonicContact OD1-NH2 3.88Å; D124-R353 PolarHBondContact OD1-NH2 3.41Å; K336-R353 HydrophobicContact CB-CG 4.24Å; K336-R353 PolarHBondContact N-O 3.17Å; K336-R353 PolarHBondContact O-N 2.98Å; E342-R353 IonicContact OE2-CZ 2.7Å; E342-R353 IonicContact OE2-NE 3.11Å; E342-R353 PolarHBondContact OE2-NE 3.06Å; E342-R353 IonicContact OE2-NH2 2.66Å; E342-R353 PolarHBondContact OE2-NH2 3.4Å; E342-R353 VanDerWaalsContact OE2-NH2 3.1Å; W345-R353 HydrophobicContact CE3-CB 4.03Å; W345-R353 HydrophobicContact CZ3-CB 3.83Å
354	P	96.6	Very high	96.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	151.2	174.9	18.3	-30.5	0	0	0	113.3	I122 V256 I260 I263 I358 E359	I122-P354 HydrophobicContact CG2-CG 4.29Å; V256-P354 HydrophobicContact CG1-CG 3.65Å; I260-P354 HydrophobicContact CD1-CG 4.02Å; I263-P354 HydrophobicContact CD1-CB 4.07Å; I263-P354 HydrophobicContact CD1-CG 4.21Å; I263-P354 HydrophobicContact CG2-CB 4.15Å; P354-I358 HydrophobicContact CB-CG2 4.07Å; P354-E359 HydrophobicContact CB-CG 3.93Å; P354-E359 HydrophobicContact CG-CG 4.29Å
355	G	94	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.			trans	-78.8	149.1	158.7	0	0	0	0	0	111	L334 H357 I358	L334-G355 PolarHBondContact O-N 3.18Å; G355-H357 VanDerWaalsContact C-N 3.28Å; G355-H357 PolarHBondContact O-N 3.01Å; G355-H357 VanDerWaalsContact O-N 3.11Å; G355-I358 WeakPolarHBondContact O-CG2 3.32Å; G355-I358 PolarHBondContact O-N 2.82Å
356	W	92.4	Very high	96.7	Very high	57 Å²	57	30 Å²	30	22%	0.216	17%	0.167	C	C	.	.	H	α-helix	trans	-53.9	-38.6	-171	179	36.4	0	0	0	114.7	E359 L381 H385	W356-E359 WeakPolarHBondContact O-CB 3.38Å; W356-L381 HydrophobicContact CH2-CD2 3.82Å; W356-L381 HydrophobicContact CZ2-CD2 3.85Å; W356-H385 AromaticContact CD1-CE1 3.99Å; W356-H385 AromaticContact CD2-CE1 3.91Å; W356-H385 AromaticContact CD2-ND1 3.57Å; W356-H385 AromaticContact CE2-CE1 3.49Å; W356-H385 VanDerWaalsContact CE2-CE1 3.49Å; W356-H385 AromaticContact CE2-ND1 3.44Å; W356-H385 AromaticContact CE3-ND1 3.79Å; W356-H385 HydrophobicContact CH2-CB 4.13Å; W356-H385 AromaticContact CH2-ND1 3.81Å; W356-H385 AromaticContact CZ2-CE1 3.81Å; W356-H385 AromaticContact CZ2-ND1 3.58Å; W356-H385 HydrophobicContact CZ3-CB 4.26Å; W356-H385 AromaticContact CZ3-ND1 3.91Å; W356-H385 AromaticContact NE1-CE1 3.52Å; W356-H385 AromaticContact NE1-ND1 3.95Å
357	H	95.2	Very high	96.8	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.028	15%	0.148	C	C	.	.	H	α-helix	trans	-74.9	-38.3	-176.4	-52.6	-56.4	0	0	0	113.5	G355 E359 C360 H385 N388 Q392	G355-H357 VanDerWaalsContact C-N 3.28Å; G355-H357 PolarHBondContact O-N 3.01Å; G355-H357 VanDerWaalsContact O-N 3.11Å; H357-E359 PolarHBondContact O-N 3.13Å; H357-C360 PolarHBondContact O-N 2.9Å; H357-H385 AromaticContact CE1-ND1 3.63Å; H357-H385 WeakPolarHBondContact ND1-CA 3.37Å; H357-H385 AromaticContact ND1-CE1 3.99Å; H357-H385 AromaticContact ND1-CG 3.61Å; H357-H385 AromaticContact ND1-ND1 2.96Å; H357-H385 PolarHBondContact ND1-ND1 3.42Å; H357-N388 HydrophobicContact CB-CB 3.84Å; H357-N388 PolarHBondContact CD2-ND2 3.44Å; H357-N388 PolarHBondContact NE2-ND2 3.24Å; H357-Q392 PolarHBondContact O-OE1 3.27Å
358	I	97.8	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-24.4	-172.8	-168.8	61.2	0	0	0	112	I263 Y266 V267 I270 L334 P354 G355 C360 V362 Q392	I263-I358 HydrophobicContact CG2-CG1 4.39Å; I263-I358 HydrophobicContact CG2-CG2 4.09Å; Y266-I358 HydrophobicContact CD1-CD1 3.81Å; Y266-I358 HydrophobicContact CE1-CD1 4.18Å; V267-I358 HydrophobicContact CG2-CD1 4.36Å; V267-I358 HydrophobicContact CG2-CG1 3.78Å; I270-I358 HydrophobicContact CD1-CD1 4Å; L334-I358 HydrophobicContact CD2-CD1 4.44Å; L334-I358 WeakPolarHBondContact O-CG2 3.35Å; P354-I358 HydrophobicContact CB-CG2 4.07Å; G355-I358 WeakPolarHBondContact O-CG2 3.32Å; G355-I358 PolarHBondContact O-N 2.82Å; I358-C360 PolarHBondContact O-N 2.76Å; I358-V362 HydrophobicContact CD1-CG2 4.1Å; I358-V362 HydrophobicContact CG1-CG2 3.95Å; I358-V362 WeakPolarHBondContact O-CB 3.45Å; I358-V362 WeakPolarHBondContact O-CG2 3.16Å; I358-V362 PolarHBondContact O-N 3.29Å; I358-Q392 VanDerWaalsContact CA-OE1 3.32Å; I358-Q392 HydrophobicContact CD1-CB 4.09Å; I358-Q392 HydrophobicContact CD1-CG 4.11Å
359	E	97.7	Very high	96.7	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-52.6	-55.5	175.3	-61.4	173.1	-173.2	0	0	110.8	T120 V256 P354 W356 H357 V362 M363	T120-E359 WeakPolarHBondContact CG2-OE2 3.45Å; T120-E359 PolarHBondContact OG1-OE2 3.31Å; V256-E359 HydrophobicContact CB-CG 4.39Å; V256-E359 HydrophobicContact CG1-CB 4.29Å; V256-E359 HydrophobicContact CG1-CG 3.57Å; V256-E359 HydrophobicContact CG2-CB 3.88Å; V256-E359 HydrophobicContact CG2-CG 3.89Å; V256-E359 VanDerWaalsContact CG2-OE2 3.32Å; V256-E359 WeakPolarHBondContact CG2-OE2 3.44Å; P354-E359 HydrophobicContact CB-CG 3.93Å; P354-E359 HydrophobicContact CG-CG 4.29Å; W356-E359 WeakPolarHBondContact O-CB 3.38Å; H357-E359 PolarHBondContact O-N 3.13Å; E359-V362 PolarHBondContact O-N 3.38Å; E359-M363 VanDerWaalsContact C-CE 3.48Å; E359-M363 HydrophobicContact CB-CE 3.89Å; E359-M363 WeakPolarHBondContact O-CB 3.5Å; E359-M363 WeakPolarHBondContact O-CE 3.39Å; E359-M363 WeakPolarHBondContact O-CG 3.24Å; E359-M363 PolarHBondContact O-N 3.08Å
360	C	98	Very high	96.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-46.2	-176.9	-65.5	0	0	0	0	111.7	Y77 C79 H357 I358 V362 M363 A364 E389	Y77-C360 HydrophobicContact CE1-CB 3.96Å; Y77-C360 WeakPolarHBondContact OH-CA 3.19Å; C79-C360 VanDerWaalsContact SG-SG 3.66Å; H357-C360 PolarHBondContact O-N 2.9Å; I358-C360 PolarHBondContact O-N 2.76Å; C360-V362 VanDerWaalsContact C-N 3.28Å; C360-V362 PolarHBondContact O-N 2.86Å; C360-M363 PolarHBondContact O-N 2.81Å; C360-A364 WeakPolarHBondContact O-CB 3.46Å; C360-A364 PolarHBondContact O-N 3.33Å; C360-E389 HydrophobicContact CB-CG 4Å; C360-E389 WeakPolarHBondContact CB-OE1 3.49Å; C360-E389 PolarHBondContact SG-OE1 2.85Å; C360-E389 VanDerWaalsContact SG-OE1 3.41Å
361	S	98.4	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-52.7	-46.8	176.1	-71.9	0	0	0	0	112.2	S365 E389 Q392 S393	S361-S365 WeakPolarHBondContact O-CB 3.4Å; S361-S365 PolarHBondContact O-N 3.4Å; S361-S365 PolarHBondContact O-OG 2.95Å; S361-E389 VanDerWaalsContact OG-CA 3.22Å; S361-E389 WeakPolarHBondContact OG-CA 3.26Å; S361-E389 WeakPolarHBondContact OG-CB 3.38Å; S361-E389 PolarHBondContact OG-O 3.27Å; S361-E389 VanDerWaalsContact OG-O 3.13Å; S361-Q392 PolarHBondContact OG-OE1 3.42Å; S361-Q392 VanDerWaalsContact OG-OE1 3.1Å; S361-S393 WeakPolarHBondContact CB-OG 3.45Å; S361-S393 PolarHBondContact OG-OG 2.71Å
362	V	98.6	Very high	96.8	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.018	10%	0.099	C	C	.	.	H	α-helix	trans	-70.6	-50.6	-176.7	177.2	0	0	0	0	111.1	Y259 P262 I263 Y266 I358 E359 C360 A364 S365 D366	Y259-V362 HydrophobicContact CD1-CG1 4.22Å; P262-V362 HydrophobicContact CB-CG1 3.71Å; I263-V362 HydrophobicContact CB-CG2 4.38Å; I263-V362 HydrophobicContact CG1-CB 3.91Å; I263-V362 HydrophobicContact CG1-CG1 3.9Å; I263-V362 HydrophobicContact CG1-CG2 3.88Å; Y266-V362 HydrophobicContact CD1-CG2 3.94Å; Y266-V362 HydrophobicContact CD2-CB 4.39Å; Y266-V362 HydrophobicContact CD2-CG1 4.42Å; Y266-V362 HydrophobicContact CD2-CG2 3.78Å; Y266-V362 HydrophobicContact CE2-CG2 4.4Å; Y266-V362 HydrophobicContact CG-CG2 3.51Å; I358-V362 HydrophobicContact CD1-CG2 4.1Å; I358-V362 HydrophobicContact CG1-CG2 3.95Å; I358-V362 WeakPolarHBondContact O-CB 3.45Å; I358-V362 WeakPolarHBondContact O-CG2 3.16Å; I358-V362 PolarHBondContact O-N 3.29Å; E359-V362 PolarHBondContact O-N 3.38Å; C360-V362 VanDerWaalsContact C-N 3.28Å; C360-V362 PolarHBondContact O-N 2.86Å; V362-A364 PolarHBondContact O-N 3.46Å; V362-S365 PolarHBondContact O-N 3.06Å; V362-D366 VanDerWaalsContact O-CB 3.26Å; V362-D366 WeakPolarHBondContact O-CB 3.31Å; V362-D366 PolarHBondContact O-N 2.69Å
363	M	98.5	Very high	96.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-42.7	-177.7	-76.4	-175.5	-71.7	0	0	112.3	Y77 N118 V254 V256 Y259 E359 C360 I367	Y77-M363 HydrophobicContact CE2-CB 4.28Å; N118-M363 HydrophobicContact CB-CE 3.42Å; N118-M363 VanDerWaalsContact CB-CE 3.42Å; N118-M363 HydrophobicContact CB-SD 3.75Å; V254-M363 HydrophobicContact CB-CG 4.39Å; V254-M363 HydrophobicContact CB-SD 3.87Å; V254-M363 HydrophobicContact CG2-CB 3.96Å; V254-M363 HydrophobicContact CG2-CG 4.04Å; V254-M363 HydrophobicContact CG2-SD 3.51Å; V254-M363 VanDerWaalsContact CG2-SD 3.51Å; V256-M363 HydrophobicContact CG2-CE 3.73Å; V256-M363 HydrophobicContact CG2-SD 4.46Å; Y259-M363 HydrophobicContact CD1-CG 3.77Å; Y259-M363 HydrophobicContact CD2-CG 3.86Å; Y259-M363 HydrophobicContact CD2-SD 4.29Å; Y259-M363 HydrophobicContact CE1-CG 4.16Å; Y259-M363 HydrophobicContact CE2-CG 4.24Å; Y259-M363 HydrophobicContact CG-CG 3.61Å; Y259-M363 HydrophobicContact CG-SD 4.44Å; E359-M363 VanDerWaalsContact C-CE 3.48Å; E359-M363 HydrophobicContact CB-CE 3.89Å; E359-M363 WeakPolarHBondContact O-CB 3.5Å; E359-M363 WeakPolarHBondContact O-CE 3.39Å; E359-M363 WeakPolarHBondContact O-CG 3.24Å; E359-M363 PolarHBondContact O-N 3.08Å; C360-M363 PolarHBondContact O-N 2.81Å; M363-I367 PolarHBondContact O-N 2.96Å
364	A	98.3	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-46.4	176.5	0	0	0	0	0	111.2	Y77 C360 V362 I367 L368 L372 W402	Y77-A364 HydrophobicContact CD1-CB 3.99Å; Y77-A364 HydrophobicContact CD2-CB 3.42Å; Y77-A364 VanDerWaalsContact CD2-CB 3.42Å; Y77-A364 HydrophobicContact CE1-CB 4.23Å; Y77-A364 HydrophobicContact CE2-CB 3.7Å; Y77-A364 HydrophobicContact CG-CB 3.57Å; C360-A364 WeakPolarHBondContact O-CB 3.46Å; C360-A364 PolarHBondContact O-N 3.33Å; V362-A364 PolarHBondContact O-N 3.46Å; A364-I367 PolarHBondContact O-N 2.93Å; A364-L368 WeakPolarHBondContact O-CB 3.29Å; A364-L368 PolarHBondContact O-N 3.31Å; A364-L372 HydrophobicContact CB-CD2 4.32Å; A364-W402 HydrophobicContact CB-CH2 4.45Å; A364-W402 HydrophobicContact CB-CZ2 3.83Å
365	S	98.2	Very high	97.1	Very high	10 Å²	10	17.6 Å²	17.6	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-69	-36.3	-178.5	-80.6	0	0	0	0	114.4	Y266 S361 V362 I367 G369 F397 W402	Y266-S365 PolarHBondContact OH-OG 2.98Å; S361-S365 WeakPolarHBondContact O-CB 3.4Å; S361-S365 PolarHBondContact O-N 3.4Å; S361-S365 PolarHBondContact O-OG 2.95Å; V362-S365 PolarHBondContact O-N 3.06Å; S365-I367 VanDerWaalsContact C-N 3.3Å; S365-I367 PolarHBondContact O-N 2.85Å; S365-G369 VanDerWaalsContact CA-O 3.29Å; S365-G369 WeakPolarHBondContact CA-O 3.42Å; S365-G369 CarbonylContact O-C 3.52Å; S365-G369 VanDerWaalsContact O-CA 3.24Å; S365-G369 WeakPolarHBondContact O-CA 3.2Å; S365-G369 PolarHBondContact O-N 2.86Å; S365-G369 PolarHBondContact OG-O 3.25Å; S365-F397 WeakPolarHBondContact OG-CE2 3.43Å; S365-F397 WeakPolarHBondContact OG-CZ 3.34Å; S365-W402 PolarHBondContact OG-NE1 3.47Å
366	D	97.6	Very high	97.3	Very high	99 Å²	99	17.6 Å²	17.6	53%	0.529	10%	0.097	S	C	.	.	H	α-helix	trans	-62.2	-39	177.7	-177.1	71	0	0	0	111.7	Y259 V362	Y259-D366 HydrophobicContact CE1-CB 3.78Å; Y259-D366 VanDerWaalsContact CE1-OD2 3.24Å; Y259-D366 WeakPolarHBondContact CE1-OD2 3.42Å; Y259-D366 PolarHBondContact OH-OD2 3.04Å; V362-D366 VanDerWaalsContact O-CB 3.26Å; V362-D366 WeakPolarHBondContact O-CB 3.31Å; V362-D366 PolarHBondContact O-N 2.69Å
367	I	97.7	Very high	97.5	Very high	53 Å²	53	14.9 Å²	14.9	27%	0.272	9%	0.087	S	C	.	.	H	α-helix	trans	-89.9	-44.2	-176.5	-62.8	167.4	0	0	0	112.7	V116 V252 V254 M363 A364 S365	V116-I367 HydrophobicContact CG1-CD1 3.7Å; V116-I367 HydrophobicContact CG2-CB 4.37Å; V116-I367 HydrophobicContact CG2-CD1 4.48Å; V116-I367 HydrophobicContact CG2-CG2 3.7Å; V252-I367 HydrophobicContact CB-CD1 4.34Å; V252-I367 HydrophobicContact CG1-CD1 3.74Å; V252-I367 HydrophobicContact CG2-CG2 4.41Å; V254-I367 HydrophobicContact CG1-CD1 3.43Å; V254-I367 VanDerWaalsContact CG1-CD1 3.43Å; V254-I367 HydrophobicContact CG2-CD1 4.44Å; M363-I367 PolarHBondContact O-N 2.96Å; A364-I367 PolarHBondContact O-N 2.93Å; S365-I367 VanDerWaalsContact C-N 3.3Å; S365-I367 PolarHBondContact O-N 2.85Å
368	L	97.8	Very high	97.6	Very high	9 Å²	9	14.9 Å²	14.9	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-99.1	-18.2	-169.9	-58.9	177.9	0	0	0	113.3	K75 T114 V116 A364 L372	K75-L368 HydrophobicContact CB-CB 4.45Å; K75-L368 HydrophobicContact CB-CD1 4.36Å; K75-L368 HydrophobicContact CB-CD2 3.99Å; K75-L368 HydrophobicContact CD-CB 4.39Å; K75-L368 WeakPolarHBondContact CD-O 3.43Å; K75-L368 WeakPolarHBondContact CE-O 3.05Å; K75-L368 HydrophobicContact CG-CD2 4.23Å; K75-L368 PolarHBondContact NZ-O 3.25Å; T114-L368 HydrophobicContact CG2-CD2 4.19Å; V116-L368 HydrophobicContact CG2-CD1 4.22Å; V116-L368 HydrophobicContact CG2-CD2 3.83Å; V116-L368 HydrophobicContact CG2-CG 4.07Å; A364-L368 WeakPolarHBondContact O-CB 3.29Å; A364-L368 PolarHBondContact O-N 3.31Å; L368-L372 HydrophobicContact CB-CB 4.2Å; L368-L372 HydrophobicContact CD1-CB 4.05Å; L368-L372 HydrophobicContact CD1-CD2 4.45Å
369	G	96.1	Very high	97.4	Very high	27 Å²	27	16.9 Å²	16.9	28%	0.278	10%	0.101	S	C	.	.			trans	102.1	-158.4	178.7	0	0	0	0	0	114.1	S365 T371	S365-G369 VanDerWaalsContact CA-O 3.29Å; S365-G369 WeakPolarHBondContact CA-O 3.42Å; S365-G369 CarbonylContact O-C 3.52Å; S365-G369 VanDerWaalsContact O-CA 3.24Å; S365-G369 WeakPolarHBondContact O-CA 3.2Å; S365-G369 PolarHBondContact O-N 2.86Å; S365-G369 PolarHBondContact OG-O 3.25Å; G369-T371 PolarHBondContact O-N 3.03Å
370	D	95.9	Very high	97.1	Very high	76 Å²	76	20.6 Å²	20.6	41%	0.406	12%	0.121	S	C	.	.	S	Bend	trans	-73.8	-15.2	-178.9	63.5	1.2	0	0	0	114.4	F397 H399	D370-F397 VanDerWaalsContact CA-CZ 3.41Å; D370-F397 HydrophobicContact CB-CD1 3.52Å; D370-F397 HydrophobicContact CB-CD2 4.12Å; D370-F397 HydrophobicContact CB-CE1 3.5Å; D370-F397 VanDerWaalsContact CB-CE1 3.5Å; D370-F397 HydrophobicContact CB-CE2 4.14Å; D370-F397 HydrophobicContact CB-CG 3.86Å; D370-F397 HydrophobicContact CB-CZ 3.84Å; D370-H399 PolarHBondContact O-CE1 3.27Å
371	T	95.5	Very high	97	Very high	25 Å²	25	21.7 Å²	21.7	15%	0.153	13%	0.126	C	C	.	.			trans	-145.9	145.7	-178.8	49.1	0	0	0	0	111	Q69 G369 H401 W402	Q69-T371 PolarHBondContact OE1-OG1 2.89Å; G369-T371 PolarHBondContact O-N 3.03Å; T371-H401 WeakPolarHBondContact CG2-O 3.47Å; T371-W402 CarbonylContact C-O 3.59Å; T371-W402 VanDerWaalsContact CA-O 3.28Å; T371-W402 WeakPolarHBondContact CA-O 3.41Å
372	L	96.7	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.8	177.8	66.2	104.6	0	0	0	112.3	K75 A364 L368 I374 H375 W402 V403 N404	K75-L372 HydrophobicContact CB-CB 4.22Å; A364-L372 HydrophobicContact CB-CD2 4.32Å; L368-L372 HydrophobicContact CB-CB 4.2Å; L368-L372 HydrophobicContact CD1-CB 4.05Å; L368-L372 HydrophobicContact CD1-CD2 4.45Å; L372-I374 WeakPolarHBondContact CD1-O 3.47Å; L372-H375 HydrophobicContact CD1-CB 4.02Å; L372-W402 HydrophobicContact CD2-CD2 4.46Å; L372-W402 HydrophobicContact CD2-CZ2 3.96Å; L372-W402 PolarHBondContact N-O 2.92Å; L372-V403 HydrophobicContact CD1-CG1 4.17Å; L372-V403 HydrophobicContact CD1-CG2 4.02Å; L372-V403 HydrophobicContact CD2-CG2 4.2Å; L372-V403 HydrophobicContact CG-CG2 4.01Å; L372-N404 PolarHBondContact O-N 2.85Å; L372-N404 VanDerWaalsContact O-N 3.11Å; L372-N404 PolarHBondContact O-ND2 3.46Å
373	D	97.5	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-57.4	-175.8	-58.7	-60.5	0	0	0	111.3	P68 Q69 V74 K75 N404 Y405	P68-D373 WeakPolarHBondContact CA-OD1 3.26Å; Q69-D373 WeakPolarHBondContact CG-OD1 3.39Å; Q69-D373 PolarHBondContact N-OD1 3.41Å; V74-D373 WeakPolarHBondContact CA-OD2 3.45Å; V74-D373 HydrophobicContact CG1-CB 4.25Å; K75-D373 PolarHBondContact N-OD2 3.07Å; K75-D373 WeakPolarHBondContact O-CB 3.41Å; K75-D373 PolarHBondContact O-N 2.81Å; D373-N404 WeakPolarHBondContact O-CB 3.2Å; D373-N404 PolarHBondContact OD1-ND2 2.91Å; D373-Y405 VanDerWaalsContact O-CD2 3.31Å; D373-Y405 WeakPolarHBondContact O-CD2 3.46Å; D373-Y405 PolarHBondContact O-N 3.48Å
374	I	98.5	Very high	96.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.5	-173.6	-61.5	169.9	0	0	0	110.8	L55 F66 V74 K75 W76 Y77 L105 L372 Y405 L407	L55-I374 HydrophobicContact CD1-CD1 4.21Å; F66-I374 HydrophobicContact CE2-CD1 3.6Å; F66-I374 HydrophobicContact CE2-CG1 3.77Å; F66-I374 HydrophobicContact CZ-CD1 3.74Å; F66-I374 HydrophobicContact CZ-CG1 4.29Å; V74-I374 HydrophobicContact CG1-CD1 3.93Å; V74-I374 HydrophobicContact CG1-CG1 4.45Å; K75-I374 PolarHBondContact O-N 3.27Å; W76-I374 CarbonylContact C-O 3.54Å; W76-I374 VanDerWaalsContact CA-O 3.29Å; W76-I374 WeakPolarHBondContact CA-O 3.36Å; W76-I374 HydrophobicContact CB-CB 4.2Å; W76-I374 HydrophobicContact CD2-CB 4.04Å; W76-I374 HydrophobicContact CD2-CD1 4.19Å; W76-I374 HydrophobicContact CD2-CG2 3.86Å; W76-I374 HydrophobicContact CE3-CD1 3.96Å; W76-I374 HydrophobicContact CG-CB 3.79Å; W76-I374 HydrophobicContact CG-CG2 3.9Å; W76-I374 HydrophobicContact CZ2-CG2 4.23Å; W76-I374 HydrophobicContact CZ3-CD1 4.34Å; Y77-I374 PolarHBondContact N-O 3.23Å; L105-I374 HydrophobicContact CD1-CD1 4.11Å; L372-I374 WeakPolarHBondContact CD1-O 3.47Å; I374-Y405 WeakPolarHBondContact CA-O 3.36Å; I374-L407 HydrophobicContact CD1-CD1 4.27Å; I374-L407 HydrophobicContact CG2-CB 4.45Å; I374-L407 HydrophobicContact CG2-CD1 3.71Å; I374-L407 HydrophobicContact CG2-CG 3.78Å
375	H	98.6	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.8	162.9	-158	-49.9	0	0	0	109.5	Y77 C79 L372 H386 E389 W402 V403 Y405 F406 L407	Y77-H375 AromaticContact CD1-CE1 3.53Å; Y77-H375 AromaticContact CD1-NE2 3.46Å; Y77-H375 WeakPolarHBondContact CD1-NE2 3.22Å; Y77-H375 AromaticContact CE1-CE1 3.94Å; Y77-H375 AromaticContact CE1-NE2 3.94Å; Y77-H375 CarbonylContact O-C 3.53Å; Y77-H375 VanDerWaalsContact O-CA 3.31Å; Y77-H375 WeakPolarHBondContact O-CA 3.31Å; C79-H375 VanDerWaalsContact SG-CE1 3.56Å; L372-H375 HydrophobicContact CD1-CB 4.02Å; H375-H386 AromaticContact CE1-CD2 3.62Å; H375-H386 AromaticContact CE1-NE2 3.57Å; H375-H386 AromaticContact ND1-CD2 3.95Å; H375-H386 AromaticContact ND1-CE1 3.96Å; H375-H386 AromaticContact ND1-NE2 3.66Å; H375-E389 IonicContact CD2-OE2 3.86Å; H375-E389 IonicContact CE1-OE2 2.97Å; H375-E389 PolarHBondContact CE1-OE2 3.13Å; H375-E389 IonicContact NE2-OE2 2.85Å; H375-E389 PolarHBondContact NE2-OE2 3.11Å; H375-W402 AromaticContact CD2-CH2 3.55Å; H375-W402 AromaticContact CD2-CZ3 3.67Å; H375-W402 AromaticContact NE2-CH2 3.54Å; H375-W402 AromaticContact NE2-CZ3 3.92Å; H375-V403 HydrophobicContact CB-CB 4.44Å; H375-V403 HydrophobicContact CB-CG1 3.61Å; H375-V403 HydrophobicContact CB-CG2 3.94Å; H375-Y405 PolarHBondContact N-O 3.24Å; H375-F406 HydrophobicContact CB-CD1 3.77Å; H375-F406 HydrophobicContact CB-CE1 3.51Å; H375-F406 HydrophobicContact CB-CZ 4.09Å; H375-F406 AromaticContact CG-CE1 3.67Å; H375-F406 CarbonylContact O-C 3.56Å; H375-F406 VanDerWaalsContact O-CA 3.3Å; H375-F406 WeakPolarHBondContact O-CA 3.25Å; H375-L407 PolarHBondContact O-N 2.95Å
376	S	98.6	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.7	-177	67	0	0	0	0	115.7	W76 Y77 T78 C79 L407	W76-S376 PolarHBondContact NE1-OG 3.24Å; Y77-S376 PolarHBondContact O-N 3.47Å; T78-S376 WeakPolarHBondContact CA-O 3.45Å; T78-S376 PolarHBondContact OG1-OG 3.32Å; C79-S376 PolarHBondContact N-O 2.74Å; S376-L407 WeakPolarHBondContact CA-O 3.4Å; S376-L407 WeakPolarHBondContact CB-O 3.32Å
377	G	97.3	Very high	96.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-177.2	-178.5	0	0	0	0	0	112.8	F98 L407 H408 S409	F98-G377 WeakPolarHBondContact CZ-O 3.46Å; G377-L407 PolarHBondContact N-O 3.45Å; G377-H408 VanDerWaalsContact O-CA 3.24Å; G377-H408 WeakPolarHBondContact O-CA 3.26Å; G377-S409 PolarHBondContact O-N 2.82Å; G377-S409 VanDerWaalsContact O-N 3.09Å
378	G	95.5	Very high	96.1	Very high	6 Å²	6	16.9 Å²	16.9	6%	0.062	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	151.5	169.8	0	0	0	0	0	111.6	D380 L381 H408	G378-D380 VanDerWaalsContact C-OD1 3.29Å; G378-D380 WeakPolarHBondContact CA-OD1 3.24Å; G378-D380 PolarHBondContact O-N 3.02Å; G378-D380 VanDerWaalsContact O-N 3.09Å; G378-L381 WeakPolarHBondContact O-CB 3.37Å; G378-L381 PolarHBondContact O-N 3.02Å; G378-H408 PolarHBondContact O-CD2 2.96Å
379	V	94.9	Very high	96.1	Very high	42 Å²	42	16.5 Å²	16.5	26%	0.255	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-57.3	-23.9	179.1	65.8	0	0	0	0	114.1	L381 K382 H408 S409	V379-L381 VanDerWaalsContact C-N 3.25Å; V379-L381 PolarHBondContact O-N 3.24Å; V379-K382 HydrophobicContact CG2-CD 4.04Å; V379-K382 WeakPolarHBondContact O-CB 3.47Å; V379-K382 WeakPolarHBondContact O-CG 3.39Å; V379-K382 PolarHBondContact O-N 2.7Å; V379-H408 HydrophobicContact CB-CB 4.33Å; V379-S409 WeakPolarHBondContact CB-O 3.47Å; V379-S409 PolarHBondContact N-O 3.22Å
380	D	90.9	Very high	96.1	Very high	82 Å²	82	15.4 Å²	15.4	44%	0.439	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-68.1	-20	171.8	52	-33.3	0	0	0	114.2	G378 K382 H411 K418	G378-D380 VanDerWaalsContact C-OD1 3.29Å; G378-D380 WeakPolarHBondContact CA-OD1 3.24Å; G378-D380 PolarHBondContact O-N 3.02Å; G378-D380 VanDerWaalsContact O-N 3.09Å; D380-K382 VanDerWaalsContact C-N 3.29Å; D380-H411 IonicContact OD1-CE1 2.85Å; D380-H411 PolarHBondContact OD1-CE1 3.16Å; D380-H411 IonicContact OD2-CE1 2.85Å; D380-K418 IonicContact OD2-NZ 3.21Å
381	L	95.5	Very high	96.1	Very high	23 Å²	23	11.9 Å²	11.9	12%	0.12	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-81.3	-8	176.8	-59.5	-176.6	0	0	0	113.1	C79 W356 G378 V379 F383 H385 H386	C79-L381 HydrophobicContact CB-CD1 3.58Å; W356-L381 HydrophobicContact CH2-CD2 3.82Å; W356-L381 HydrophobicContact CZ2-CD2 3.85Å; G378-L381 WeakPolarHBondContact O-CB 3.37Å; G378-L381 PolarHBondContact O-N 3.02Å; V379-L381 VanDerWaalsContact C-N 3.25Å; V379-L381 PolarHBondContact O-N 3.24Å; L381-F383 VanDerWaalsContact C-N 3.29Å; L381-F383 PolarHBondContact O-N 3.33Å; L381-H385 HydrophobicContact CB-CB 4.31Å; L381-H385 HydrophobicContact CD2-CB 4.15Å; L381-H385 WeakPolarHBondContact O-CB 3.42Å; L381-H386 WeakPolarHBondContact O-CB 3.35Å; L381-H386 PolarHBondContact O-N 3.27Å
382	K	95	Very high	96.3	Very high	44 Å²	44	10.7 Å²	10.7	19%	0.191	6%	0.058	C	C	.	.	I	π-helix	trans	-53.3	-48.3	176.6	-76.2	-174.8	176.5	-171.2	0	111.8	S58 L302 V303 V379 D380 D387 H408	S58-K382 WeakPolarHBondContact OG-CE 3.45Å; L302-K382 HydrophobicContact CD2-CB 4.1Å; L302-K382 HydrophobicContact CD2-CG 4.18Å; L302-K382 WeakPolarHBondContact CD2-O 3.18Å; L302-K382 HydrophobicContact CG-CB 4.47Å; V303-K382 HydrophobicContact CG2-CB 3.77Å; V379-K382 HydrophobicContact CG2-CD 4.04Å; V379-K382 WeakPolarHBondContact O-CB 3.47Å; V379-K382 WeakPolarHBondContact O-CG 3.39Å; V379-K382 PolarHBondContact O-N 2.7Å; D380-K382 VanDerWaalsContact C-N 3.29Å; K382-D387 PolarHBondContact O-N 2.9Å; K382-H408 HydrophobicContact CG-CB 4.45Å; K382-H408 WeakPolarHBondContact CG-NE2 3.4Å
383	F	94.1	Very high	96.3	Very high	10 Å²	10	10.7 Å²	10.7	4%	0.044	6%	0.058	C	C	.	.	I	π-helix	trans	-142.1	137.6	178	-174.2	-91.2	0	0	0	110.4	A300 V303 A306 D309 Q312 L313 L381 D387	A300-F383 HydrophobicContact CB-CE2 4.46Å; V303-F383 HydrophobicContact CB-CB 4.03Å; V303-F383 HydrophobicContact CG2-CB 3.86Å; A306-F383 HydrophobicContact CB-CB 4.34Å; A306-F383 HydrophobicContact CB-CD1 3.62Å; A306-F383 HydrophobicContact CB-CD2 3.8Å; A306-F383 HydrophobicContact CB-CE1 3.78Å; A306-F383 HydrophobicContact CB-CE2 3.97Å; A306-F383 HydrophobicContact CB-CG 3.62Å; A306-F383 HydrophobicContact CB-CZ 3.95Å; A306-F383 WeakPolarHBondContact O-CZ 3.39Å; D309-F383 HydrophobicContact CB-CE1 4.29Å; Q312-F383 HydrophobicContact CB-CD1 3.83Å; Q312-F383 HydrophobicContact CB-CE1 3.72Å; L313-F383 HydrophobicContact CD1-CZ 4.23Å; L313-F383 HydrophobicContact CD2-CE1 4.4Å; L313-F383 HydrophobicContact CD2-CZ 3.87Å; L313-F383 HydrophobicContact CG-CE1 4.08Å; L313-F383 HydrophobicContact CG-CZ 3.77Å; L381-F383 VanDerWaalsContact C-N 3.29Å; L381-F383 PolarHBondContact O-N 3.33Å; F383-D387 HydrophobicContact CD2-CB 3.92Å; F383-D387 HydrophobicContact CE2-CB 4.48Å
384	P	93.9	Very high	96.3	Very high	7 Å²	7	10.8 Å²	10.8	5%	0.045	6%	0.058	C	C	.	.	I	π-helix	cis	-83.8	-4.4	-1.5	35.2	-37.4	0	0	0	113.9	L313 N388	L313-P384 HydrophobicContact CD2-CB 3.58Å; L313-P384 HydrophobicContact CD2-CG 4.4Å; L313-P384 HydrophobicContact CG-CB 4.43Å; P384-N388 WeakPolarHBondContact O-CB 3.17Å; P384-N388 PolarHBondContact O-N 3.25Å; P384-N388 PolarHBondContact O-ND2 3.41Å; P384-N388 PolarHBondContact O-OD1 3.31Å
385	H	95.5	Very high	96.3	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.009	6%	0.058	C	C	.	.	I	π-helix	trans	-62.7	-65.8	-163	-171.8	77.7	0	0	0	114.7	C79 W356 H357 L381 D387 N388 E389	C79-H385 PolarHBondContact SG-NE2 2.97Å; C79-H385 VanDerWaalsContact SG-NE2 3.44Å; W356-H385 AromaticContact CD1-CE1 3.99Å; W356-H385 AromaticContact CD2-CE1 3.91Å; W356-H385 AromaticContact CD2-ND1 3.57Å; W356-H385 AromaticContact CE2-CE1 3.49Å; W356-H385 VanDerWaalsContact CE2-CE1 3.49Å; W356-H385 AromaticContact CE2-ND1 3.44Å; W356-H385 AromaticContact CE3-ND1 3.79Å; W356-H385 HydrophobicContact CH2-CB 4.13Å; W356-H385 AromaticContact CH2-ND1 3.81Å; W356-H385 AromaticContact CZ2-CE1 3.81Å; W356-H385 AromaticContact CZ2-ND1 3.58Å; W356-H385 HydrophobicContact CZ3-CB 4.26Å; W356-H385 AromaticContact CZ3-ND1 3.91Å; W356-H385 AromaticContact NE1-CE1 3.52Å; W356-H385 AromaticContact NE1-ND1 3.95Å; H357-H385 AromaticContact CE1-ND1 3.63Å; H357-H385 WeakPolarHBondContact ND1-CA 3.37Å; H357-H385 AromaticContact ND1-CE1 3.99Å; H357-H385 AromaticContact ND1-CG 3.61Å; H357-H385 AromaticContact ND1-ND1 2.96Å; H357-H385 PolarHBondContact ND1-ND1 3.42Å; L381-H385 HydrophobicContact CB-CB 4.31Å; L381-H385 HydrophobicContact CD2-CB 4.15Å; L381-H385 WeakPolarHBondContact O-CB 3.42Å; H385-D387 VanDerWaalsContact C-N 3.3Å; H385-D387 PolarHBondContact O-N 2.98Å; H385-N388 WeakPolarHBondContact O-CB 3.4Å; H385-N388 PolarHBondContact O-N 2.73Å; H385-N388 VanDerWaalsContact O-N 3.15Å; H385-E389 IonicContact CD2-OE1 3.45Å; H385-E389 PolarHBondContact CD2-OE1 3.4Å; H385-E389 IonicContact CE1-OE1 3.64Å; H385-E389 PolarHBondContact CE1-OE1 2.98Å; H385-E389 IonicContact CG-OE1 2.72Å; H385-E389 IonicContact ND1-OE1 3.68Å; H385-E389 IonicContact NE2-OE1 2.84Å; H385-E389 PolarHBondContact NE2-OE1 3.3Å; H385-E389 WeakPolarHBondContact O-CG 3.28Å; H385-E389 PolarHBondContact O-N 3.5Å
386	H	97.5	Very high	96.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-67.7	-28.7	-179.9	-66.8	166.6	0	0	0	113.4	C79 L302 H375 L381 N388 E389 L390 F406 H408	C79-H386 PolarHBondContact SG-NE2 3.39Å; C79-H386 VanDerWaalsContact SG-NE2 3.37Å; L302-H386 HydrophobicContact CD2-CB 3.78Å; H375-H386 AromaticContact CE1-CD2 3.62Å; H375-H386 AromaticContact CE1-NE2 3.57Å; H375-H386 AromaticContact ND1-CD2 3.95Å; H375-H386 AromaticContact ND1-CE1 3.96Å; H375-H386 AromaticContact ND1-NE2 3.66Å; L381-H386 WeakPolarHBondContact O-CB 3.35Å; L381-H386 PolarHBondContact O-N 3.27Å; H386-N388 VanDerWaalsContact C-N 3.34Å; H386-E389 IonicContact CD2-OE1 2.88Å; H386-E389 IonicContact CD2-OE2 3.64Å; H386-E389 PolarHBondContact CD2-OE2 3.45Å; H386-E389 IonicContact CG-OE2 2.88Å; H386-E389 PolarHBondContact O-N 3.29Å; H386-L390 WeakPolarHBondContact O-CB 3.4Å; H386-L390 WeakPolarHBondContact O-CG 3.37Å; H386-L390 PolarHBondContact O-N 3.49Å; H386-F406 HydrophobicContact CB-CD1 4.31Å; H386-F406 HydrophobicContact CB-CE1 3.65Å; H386-F406 HydrophobicContact CB-CZ 4.3Å; H386-F406 AromaticContact CG-CE1 3.77Å; H386-F406 AromaticContact ND1-CD1 3.76Å; H386-F406 AromaticContact ND1-CE1 3.77Å; H386-H408 AromaticContact CE1-CD2 3.8Å; H386-H408 AromaticContact CE1-NE2 3.27Å; H386-H408 PolarHBondContact CE1-NE2 2.89Å; H386-H408 VanDerWaalsContact CE1-NE2 3.27Å; H386-H408 AromaticContact CG-NE2 3.97Å; H386-H408 AromaticContact ND1-CD2 3.71Å; H386-H408 AromaticContact ND1-CE1 3.6Å; H386-H408 AromaticContact ND1-NE2 2.75Å; H386-H408 PolarHBondContact ND1-NE2 3.3Å
387	D	95.8	Very high	96.2	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.011	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-37.2	172.5	-103.2	-46.2	0	0	0	112.3	A300 K301 L302 V303 K382 F383 H385 A391	A300-D387 WeakPolarHBondContact CA-OD1 3.11Å; K301-D387 PolarHBondContact N-OD1 2.96Å; L302-D387 PolarHBondContact N-OD1 3.2Å; V303-D387 PolarHBondContact N-OD2 3.03Å; K382-D387 PolarHBondContact O-N 2.9Å; F383-D387 HydrophobicContact CD2-CB 3.92Å; F383-D387 HydrophobicContact CE2-CB 4.48Å; H385-D387 VanDerWaalsContact C-N 3.3Å; H385-D387 PolarHBondContact O-N 2.98Å; D387-A391 PolarHBondContact O-N 3.34Å; D387-A391 VanDerWaalsContact O-N 3.17Å
388	N	96.7	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-70.5	-41.2	174	-73.1	-9.7	0	0	0	111.4	Y299 F332 H357 P384 H385 H386 A391 Q392	Y299-N388 WeakPolarHBondContact CE2-OD1 3.43Å; Y299-N388 PolarHBondContact OH-OD1 2.85Å; F332-N388 WeakPolarHBondContact CD1-OD1 3.39Å; F332-N388 HydrophobicContact CD2-CB 4.15Å; F332-N388 HydrophobicContact CE1-CB 4.19Å; F332-N388 WeakPolarHBondContact CE1-OD1 3.21Å; F332-N388 HydrophobicContact CE2-CB 3.79Å; F332-N388 WeakPolarHBondContact CG-ND2 3.43Å; F332-N388 HydrophobicContact CZ-CB 3.8Å; H357-N388 HydrophobicContact CB-CB 3.84Å; H357-N388 PolarHBondContact CD2-ND2 3.44Å; H357-N388 PolarHBondContact NE2-ND2 3.24Å; P384-N388 WeakPolarHBondContact O-CB 3.17Å; P384-N388 PolarHBondContact O-N 3.25Å; P384-N388 PolarHBondContact O-ND2 3.41Å; P384-N388 PolarHBondContact O-OD1 3.31Å; H385-N388 WeakPolarHBondContact O-CB 3.4Å; H385-N388 PolarHBondContact O-N 2.73Å; H385-N388 VanDerWaalsContact O-N 3.15Å; H386-N388 VanDerWaalsContact C-N 3.34Å; N388-A391 PolarHBondContact O-N 3.26Å; N388-Q392 WeakPolarHBondContact O-CB 3.49Å; N388-Q392 WeakPolarHBondContact O-CG 3.35Å; N388-Q392 PolarHBondContact O-N 3.41Å
389	E	97.9	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-44	175.8	-68.4	165.3	-176.1	0	0	112	C360 S361 H375 H385 H386 A391 Q392 S393 W402	C360-E389 HydrophobicContact CB-CG 4Å; C360-E389 WeakPolarHBondContact CB-OE1 3.49Å; C360-E389 PolarHBondContact SG-OE1 2.85Å; C360-E389 VanDerWaalsContact SG-OE1 3.41Å; S361-E389 VanDerWaalsContact OG-CA 3.22Å; S361-E389 WeakPolarHBondContact OG-CA 3.26Å; S361-E389 WeakPolarHBondContact OG-CB 3.38Å; S361-E389 PolarHBondContact OG-O 3.27Å; S361-E389 VanDerWaalsContact OG-O 3.13Å; H375-E389 IonicContact CD2-OE2 3.86Å; H375-E389 IonicContact CE1-OE2 2.97Å; H375-E389 PolarHBondContact CE1-OE2 3.13Å; H375-E389 IonicContact NE2-OE2 2.85Å; H375-E389 PolarHBondContact NE2-OE2 3.11Å; H385-E389 IonicContact CD2-OE1 3.45Å; H385-E389 PolarHBondContact CD2-OE1 3.4Å; H385-E389 IonicContact CE1-OE1 3.64Å; H385-E389 PolarHBondContact CE1-OE1 2.98Å; H385-E389 IonicContact CG-OE1 2.72Å; H385-E389 IonicContact ND1-OE1 3.68Å; H385-E389 IonicContact NE2-OE1 2.84Å; H385-E389 PolarHBondContact NE2-OE1 3.3Å; H385-E389 WeakPolarHBondContact O-CG 3.28Å; H385-E389 PolarHBondContact O-N 3.5Å; H386-E389 IonicContact CD2-OE1 2.88Å; H386-E389 IonicContact CD2-OE2 3.64Å; H386-E389 PolarHBondContact CD2-OE2 3.45Å; H386-E389 IonicContact CG-OE2 2.88Å; H386-E389 PolarHBondContact O-N 3.29Å; E389-A391 VanDerWaalsContact C-N 3.31Å; E389-A391 PolarHBondContact O-N 3.18Å; E389-Q392 PolarHBondContact O-N 3.11Å; E389-S393 WeakPolarHBondContact O-CB 3.31Å; E389-S393 PolarHBondContact O-N 3.26Å; E389-S393 PolarHBondContact O-OG 2.67Å; E389-W402 HydrophobicContact CB-CH2 3.89Å; E389-W402 HydrophobicContact CB-CZ3 3.57Å
390	L	96.5	Very high	95.6	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-54.7	-49.3	172.8	-83	166.4	0	0	0	110.9	K301 L302 H386 S393 E394 W402 V403 F406	K301-L390 HydrophobicContact CB-CD1 4.38Å; L302-L390 HydrophobicContact CB-CD1 4.32Å; H386-L390 WeakPolarHBondContact O-CB 3.4Å; H386-L390 WeakPolarHBondContact O-CG 3.37Å; H386-L390 PolarHBondContact O-N 3.49Å; L390-S393 PolarHBondContact O-N 3.14Å; L390-E394 VanDerWaalsContact O-CB 3.24Å; L390-E394 WeakPolarHBondContact O-CB 3.38Å; L390-E394 VanDerWaalsContact O-CG 3.23Å; L390-E394 WeakPolarHBondContact O-CG 3.33Å; L390-E394 PolarHBondContact O-N 2.96Å; L390-W402 HydrophobicContact CD2-CB 4.33Å; L390-W402 HydrophobicContact CD2-CE3 3.96Å; L390-W402 HydrophobicContact CG-CE3 4.28Å; L390-V403 HydrophobicContact CD2-CB 4.46Å; L390-V403 HydrophobicContact CD2-CG2 4.39Å; L390-F406 HydrophobicContact CD1-CE2 3.67Å; L390-F406 HydrophobicContact CD1-CZ 3.78Å; L390-F406 HydrophobicContact CD2-CE2 3.93Å; L390-F406 HydrophobicContact CD2-CZ 4.04Å; L390-F406 HydrophobicContact CG-CE2 3.99Å; L390-F406 HydrophobicContact CG-CZ 3.78Å
391	A	96.8	Very high	95.6	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-42.1	-179.4	0	0	0	0	0	112.3	F286 F291 Y299 F332 D387 N388 E389 A395	F286-A391 HydrophobicContact CE1-CB 3.96Å; F286-A391 HydrophobicContact CZ-CB 3.8Å; F286-A391 WeakPolarHBondContact CZ-O 3.28Å; F291-A391 HydrophobicContact CD1-CB 4.23Å; F291-A391 HydrophobicContact CE1-CB 3.81Å; F291-A391 WeakPolarHBondContact CE2-O 3.46Å; F291-A391 HydrophobicContact CZ-CB 4.04Å; Y299-A391 HydrophobicContact CD2-CB 3.75Å; Y299-A391 HydrophobicContact CE2-CB 4.04Å; F332-A391 HydrophobicContact CZ-CB 4.43Å; D387-A391 PolarHBondContact O-N 3.34Å; D387-A391 VanDerWaalsContact O-N 3.17Å; N388-A391 PolarHBondContact O-N 3.26Å; E389-A391 VanDerWaalsContact C-N 3.31Å; E389-A391 PolarHBondContact O-N 3.18Å; A391-A395 WeakPolarHBondContact O-CB 3.28Å; A391-A395 PolarHBondContact O-N 2.7Å
392	Q	98.1	Very high	95.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-47.7	177.6	-73.5	165.6	-17.9	0	0	111.7	I270 F286 F332 L334 H357 I358 S361 N388 E389 A395 Y396	I270-Q392 HydrophobicContact CD1-CB 4.27Å; F286-Q392 HydrophobicContact CD2-CG 4.35Å; F332-Q392 HydrophobicContact CE2-CG 3.87Å; F332-Q392 HydrophobicContact CZ-CG 4.35Å; L334-Q392 HydrophobicContact CD2-CG 3.75Å; H357-Q392 PolarHBondContact O-OE1 3.27Å; I358-Q392 VanDerWaalsContact CA-OE1 3.32Å; I358-Q392 HydrophobicContact CD1-CB 4.09Å; I358-Q392 HydrophobicContact CD1-CG 4.11Å; S361-Q392 PolarHBondContact OG-OE1 3.42Å; S361-Q392 VanDerWaalsContact OG-OE1 3.1Å; N388-Q392 WeakPolarHBondContact O-CB 3.49Å; N388-Q392 WeakPolarHBondContact O-CG 3.35Å; N388-Q392 PolarHBondContact O-N 3.41Å; E389-Q392 PolarHBondContact O-N 3.11Å; Q392-A395 PolarHBondContact O-N 3.46Å; Q392-Y396 WeakPolarHBondContact O-CB 3.46Å; Q392-Y396 PolarHBondContact O-N 3.33Å
393	S	98.1	Very high	95.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.7	-45.8	-177.3	-57.4	0	0	0	0	111.9	Y266 S361 E389 L390 A395 Y396 F397 W402	Y266-S393 WeakPolarHBondContact OH-CA 3.27Å; S361-S393 WeakPolarHBondContact CB-OG 3.45Å; S361-S393 PolarHBondContact OG-OG 2.71Å; E389-S393 WeakPolarHBondContact O-CB 3.31Å; E389-S393 PolarHBondContact O-N 3.26Å; E389-S393 PolarHBondContact O-OG 2.67Å; L390-S393 PolarHBondContact O-N 3.14Å; S393-A395 VanDerWaalsContact C-N 3.3Å; S393-A395 PolarHBondContact O-N 3.12Å; S393-Y396 PolarHBondContact O-N 3.45Å; S393-F397 WeakPolarHBondContact O-CD2 3.44Å; S393-F397 PolarHBondContact O-N 3.39Å; S393-W402 VanDerWaalsContact CB-CG 3.45Å; S393-W402 VanDerWaalsContact OG-CZ2 3.3Å; S393-W402 WeakPolarHBondContact OG-CZ2 3.3Å
394	E	97.2	Very high	95.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-38.9	175	-69.4	-177.2	-176.8	0	0	111.3	F291 H297 K301 L390 Y396 G398 H399 S400 W402	F291-E394 HydrophobicContact CE2-CB 4.31Å; F291-E394 HydrophobicContact CZ-CB 4.05Å; H297-E394 PolarHBondContact NE2-O 3.4Å; K301-E394 IonicContact NZ-OE1 3.29Å; K301-E394 PolarHBondContact NZ-OE1 2.94Å; L390-E394 VanDerWaalsContact O-CB 3.24Å; L390-E394 WeakPolarHBondContact O-CB 3.38Å; L390-E394 VanDerWaalsContact O-CG 3.23Å; L390-E394 WeakPolarHBondContact O-CG 3.33Å; L390-E394 PolarHBondContact O-N 2.96Å; E394-Y396 PolarHBondContact O-N 3.43Å; E394-G398 WeakPolarHBondContact O-CA 3.32Å; E394-G398 PolarHBondContact O-N 2.97Å; E394-H399 VanDerWaalsContact CA-O 3.28Å; E394-H399 WeakPolarHBondContact CA-O 3.49Å; E394-H399 WeakPolarHBondContact CB-O 3.45Å; E394-H399 VanDerWaalsContact CG-O 3.32Å; E394-H399 WeakPolarHBondContact CG-O 3.47Å; E394-H399 PolarHBondContact O-N 3.34Å; E394-S400 VanDerWaalsContact OE1-C 3.25Å; E394-S400 VanDerWaalsContact OE1-O 3.05Å; E394-W402 HydrophobicContact CG-CB 4.3Å
395	A	97.5	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-33.6	174.9	0	0	0	0	0	113.5	I270 N273 F275 F286 F291 A391 Q392 S393	I270-A395 HydrophobicContact CG2-CB 4.27Å; N273-A395 PolarHBondContact ND2-O 2.79Å; F275-A395 HydrophobicContact CB-CB 3.96Å; F275-A395 HydrophobicContact CD2-CB 3.61Å; F275-A395 HydrophobicContact CE2-CB 4.34Å; F275-A395 HydrophobicContact CG-CB 3.94Å; F286-A395 HydrophobicContact CE2-CB 3.65Å; F286-A395 HydrophobicContact CZ-CB 3.94Å; F291-A395 HydrophobicContact CD2-CB 4Å; F291-A395 HydrophobicContact CE2-CB 3.86Å; A391-A395 WeakPolarHBondContact O-CB 3.28Å; A391-A395 PolarHBondContact O-N 2.7Å; Q392-A395 PolarHBondContact O-N 3.46Å; S393-A395 VanDerWaalsContact C-N 3.3Å; S393-A395 PolarHBondContact O-N 3.12Å
396	Y	97.9	Very high	96	Very high	74 Å²	74	17.4 Å²	17.4	29%	0.29	9%	0.094	S	C	.	.	H	α-helix	trans	-72.4	-50.4	177.8	172.8	-95.3	0	0	0	112.1	Y266 Q269 N273 Q392 S393 E394	Y266-Y396 AromaticContact CD1-CD2 3.52Å; Y266-Y396 HydrophobicContact CD1-CD2 3.52Å; Y266-Y396 HydrophobicContact CD1-CE2 4.21Å; Y266-Y396 AromaticContact CD1-CG 3.8Å; Y266-Y396 HydrophobicContact CD1-CG 3.8Å; Y266-Y396 HydrophobicContact CD2-CD1 4.11Å; Y266-Y396 AromaticContact CD2-CD2 3.68Å; Y266-Y396 HydrophobicContact CD2-CD2 3.68Å; Y266-Y396 HydrophobicContact CD2-CE1 4.01Å; Y266-Y396 AromaticContact CD2-CE2 3.59Å; Y266-Y396 HydrophobicContact CD2-CE2 3.59Å; Y266-Y396 AromaticContact CD2-CG 3.96Å; Y266-Y396 HydrophobicContact CD2-CG 3.96Å; Y266-Y396 AromaticContact CD2-CZ 3.76Å; Y266-Y396 HydrophobicContact CE1-CD1 4.05Å; Y266-Y396 AromaticContact CE1-CD2 3.65Å; Y266-Y396 HydrophobicContact CE1-CD2 3.65Å; Y266-Y396 AromaticContact CE1-CG 3.38Å; Y266-Y396 HydrophobicContact CE1-CG 3.38Å; Y266-Y396 AromaticContact CE2-CD1 3.43Å; Y266-Y396 HydrophobicContact CE2-CD1 3.43Å; Y266-Y396 VanDerWaalsContact CE2-CD1 3.43Å; Y266-Y396 AromaticContact CE2-CD2 3.8Å; Y266-Y396 HydrophobicContact CE2-CD2 3.8Å; Y266-Y396 AromaticContact CE2-CE1 3.58Å; Y266-Y396 HydrophobicContact CE2-CE1 3.58Å; Y266-Y396 AromaticContact CE2-CE2 3.95Å; Y266-Y396 HydrophobicContact CE2-CE2 3.95Å; Y266-Y396 AromaticContact CE2-CG 3.56Å; Y266-Y396 HydrophobicContact CE2-CG 3.56Å; Y266-Y396 AromaticContact CE2-CZ 3.85Å; Y266-Y396 AromaticContact CG-CD2 3.55Å; Y266-Y396 HydrophobicContact CG-CD2 3.55Å; Y266-Y396 AromaticContact CG-CE2 3.74Å; Y266-Y396 HydrophobicContact CG-CE2 3.74Å; Y266-Y396 HydrophobicContact CG-CG 4.08Å; Y266-Y396 VanDerWaalsContact CZ-CB 3.44Å; Y266-Y396 AromaticContact CZ-CD1 3.4Å; Y266-Y396 VanDerWaalsContact CZ-CD1 3.4Å; Y266-Y396 AromaticContact CZ-CD2 3.79Å; Y266-Y396 AromaticContact CZ-CG 3.25Å; Q269-Y396 HydrophobicContact CB-CD2 3.56Å; Q269-Y396 HydrophobicContact CB-CE2 3.48Å; Q269-Y396 VanDerWaalsContact CB-CE2 3.48Å; Q269-Y396 HydrophobicContact CG-CD2 3.59Å; Q269-Y396 HydrophobicContact CG-CE2 3.55Å; Q269-Y396 HydrophobicContact CG-CG 4.48Å; N273-Y396 PolarHBondContact ND2-O 2.98Å; Q392-Y396 WeakPolarHBondContact O-CB 3.46Å; Q392-Y396 PolarHBondContact O-N 3.33Å; S393-Y396 PolarHBondContact O-N 3.45Å; E394-Y396 PolarHBondContact O-N 3.43Å
397	F	97.1	Very high	96.1	Very high	64 Å²	64	17.4 Å²	17.4	28%	0.281	9%	0.094	S	C	.	.	H	α-helix	trans	-78.3	-21.6	-178.6	-65.6	-67.9	0	0	0	113.6	S365 D370 S393 H399	S365-F397 WeakPolarHBondContact OG-CE2 3.43Å; S365-F397 WeakPolarHBondContact OG-CZ 3.34Å; D370-F397 VanDerWaalsContact CA-CZ 3.41Å; D370-F397 HydrophobicContact CB-CD1 3.52Å; D370-F397 HydrophobicContact CB-CD2 4.12Å; D370-F397 HydrophobicContact CB-CE1 3.5Å; D370-F397 VanDerWaalsContact CB-CE1 3.5Å; D370-F397 HydrophobicContact CB-CE2 4.14Å; D370-F397 HydrophobicContact CB-CG 3.86Å; D370-F397 HydrophobicContact CB-CZ 3.84Å; S393-F397 WeakPolarHBondContact O-CD2 3.44Å; S393-F397 PolarHBondContact O-N 3.39Å; F397-H399 WeakPolarHBondContact CB-NE2 3.26Å; F397-H399 AromaticContact CG-NE2 3.85Å
398	G	93.6	Very high	96.2	Very high	33 Å²	33	17.4 Å²	17.4	34%	0.34	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	20	179.9	0	0	0	0	0	114.2	M296 E394	M296-G398 WeakPolarHBondContact CE-O 2.99Å; E394-G398 WeakPolarHBondContact O-CA 3.32Å; E394-G398 PolarHBondContact O-N 2.97Å
399	H	91.7	Very high	96.2	Very high	55 Å²	55	17.4 Å²	17.4	26%	0.255	9%	0.094	S	C	.	.	S	Bend	trans	-132.4	158.8	176	61.2	47.2	0	0	0	111.6	D370 E394 F397 H401	D370-H399 PolarHBondContact O-CE1 3.27Å; E394-H399 VanDerWaalsContact CA-O 3.28Å; E394-H399 WeakPolarHBondContact CA-O 3.49Å; E394-H399 WeakPolarHBondContact CB-O 3.45Å; E394-H399 VanDerWaalsContact CG-O 3.32Å; E394-H399 WeakPolarHBondContact CG-O 3.47Å; E394-H399 PolarHBondContact O-N 3.34Å; F397-H399 WeakPolarHBondContact CB-NE2 3.26Å; F397-H399 AromaticContact CG-NE2 3.85Å; H399-H401 VanDerWaalsContact C-N 3.32Å; H399-H401 PolarHBondContact CE1-O 3.47Å; H399-H401 PolarHBondContact ND1-O 2.86Å; H399-H401 PolarHBondContact O-N 3.48Å
400	S	89.6	Confident	96.1	Very high	60 Å²	60	17.5 Å²	17.5	42%	0.42	10%	0.095	S	C	.	.	S	Bend	trans	-92.2	22.8	-168.5	66.3	0	0	0	0	115.4	M296 K301 E394	M296-S400 WeakPolarHBondContact O-CB 3.24Å; K301-S400 PolarHBondContact NZ-O 2.61Å; E394-S400 VanDerWaalsContact OE1-C 3.25Å; E394-S400 VanDerWaalsContact OE1-O 3.05Å
401	H	91.6	Very high	95.8	Very high	62 Å²	62	19.4 Å²	19.4	29%	0.287	10%	0.104	S	C	.	.			trans	-148.1	111.3	-173.5	-179.9	71.5	0	0	0	111.6	T371 H399 N404	T371-H401 WeakPolarHBondContact CG2-O 3.47Å; H399-H401 VanDerWaalsContact C-N 3.32Å; H399-H401 PolarHBondContact CE1-O 3.47Å; H399-H401 PolarHBondContact ND1-O 2.86Å; H399-H401 PolarHBondContact O-N 3.48Å; H401-N404 PolarHBondContact CE1-OD1 2.93Å; H401-N404 PolarHBondContact NE2-OD1 3.41Å
402	W	95.1	Very high	95.6	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.104	C	C	.	.	S	Bend	trans	-116.3	-41.5	176.8	179.5	52.9	0	0	0	112.7	A364 S365 T371 L372 H375 E389 L390 S393 E394	A364-W402 HydrophobicContact CB-CH2 4.45Å; A364-W402 HydrophobicContact CB-CZ2 3.83Å; S365-W402 PolarHBondContact OG-NE1 3.47Å; T371-W402 CarbonylContact C-O 3.59Å; T371-W402 VanDerWaalsContact CA-O 3.28Å; T371-W402 WeakPolarHBondContact CA-O 3.41Å; L372-W402 HydrophobicContact CD2-CD2 4.46Å; L372-W402 HydrophobicContact CD2-CZ2 3.96Å; L372-W402 PolarHBondContact N-O 2.92Å; H375-W402 AromaticContact CD2-CH2 3.55Å; H375-W402 AromaticContact CD2-CZ3 3.67Å; H375-W402 AromaticContact NE2-CH2 3.54Å; H375-W402 AromaticContact NE2-CZ3 3.92Å; E389-W402 HydrophobicContact CB-CH2 3.89Å; E389-W402 HydrophobicContact CB-CZ3 3.57Å; L390-W402 HydrophobicContact CD2-CB 4.33Å; L390-W402 HydrophobicContact CD2-CE3 3.96Å; L390-W402 HydrophobicContact CG-CE3 4.28Å; S393-W402 VanDerWaalsContact CB-CG 3.45Å; S393-W402 VanDerWaalsContact OG-CZ2 3.3Å; S393-W402 WeakPolarHBondContact OG-CZ2 3.3Å; E394-W402 HydrophobicContact CG-CB 4.3Å
403	V	96.6	Very high	95	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	-175.7	-179.9	0	0	0	0	110.8	L372 H375 L390 Y405 F406	L372-V403 HydrophobicContact CD1-CG1 4.17Å; L372-V403 HydrophobicContact CD1-CG2 4.02Å; L372-V403 HydrophobicContact CD2-CG2 4.2Å; L372-V403 HydrophobicContact CG-CG2 4.01Å; H375-V403 HydrophobicContact CB-CB 4.44Å; H375-V403 HydrophobicContact CB-CG1 3.61Å; H375-V403 HydrophobicContact CB-CG2 3.94Å; L390-V403 HydrophobicContact CD2-CB 4.46Å; L390-V403 HydrophobicContact CD2-CG2 4.39Å; V403-Y405 VanDerWaalsContact CG1-O 3.3Å; V403-Y405 WeakPolarHBondContact CG1-O 3.36Å; V403-F406 HydrophobicContact CB-CD2 4.24Å; V403-F406 HydrophobicContact CB-CE2 3.56Å; V403-F406 HydrophobicContact CB-CZ 3.88Å; V403-F406 HydrophobicContact CG1-CD2 3.81Å; V403-F406 HydrophobicContact CG1-CE1 4.46Å; V403-F406 HydrophobicContact CG1-CE2 3.6Å; V403-F406 HydrophobicContact CG1-CG 4.34Å; V403-F406 HydrophobicContact CG1-CZ 3.96Å; V403-F406 HydrophobicContact CG2-CE2 4.01Å; V403-F406 HydrophobicContact CG2-CZ 3.79Å
404	N	95.8	Very high	94.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.011	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-49.2	175	-63.6	-52.2	0	0	0	112.9	W38 P41 N57 Q69 L372 D373 H401	W38-N404 PolarHBondContact NE1-O 3.34Å; P41-N404 HydrophobicContact CG-CB 3.89Å; P41-N404 VanDerWaalsContact CG-CG 3.5Å; P41-N404 WeakPolarHBondContact CG-OD1 3.37Å; N57-N404 PolarHBondContact ND2-O 2.86Å; Q69-N404 VanDerWaalsContact CG-ND2 3.33Å; Q69-N404 WeakPolarHBondContact CG-ND2 3.45Å; Q69-N404 PolarHBondContact NE2-ND2 3.49Å; L372-N404 PolarHBondContact O-N 2.85Å; L372-N404 VanDerWaalsContact O-N 3.11Å; L372-N404 PolarHBondContact O-ND2 3.46Å; D373-N404 WeakPolarHBondContact O-CB 3.2Å; D373-N404 PolarHBondContact OD1-ND2 2.91Å; H401-N404 PolarHBondContact CE1-OD1 2.93Å; H401-N404 PolarHBondContact NE2-OD1 3.41Å
405	Y	97.7	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.1	-174.3	-52	-89.2	0	0	0	111.2	W38 P41 N57 D64 L65 F66 I67 D373 I374 H375 V403	W38-Y405 AromaticContact CH2-CE1 3.89Å; W38-Y405 HydrophobicContact CH2-CE1 3.89Å; W38-Y405 HydrophobicContact CZ2-CD1 4.24Å; W38-Y405 AromaticContact CZ2-CE1 3.66Å; W38-Y405 HydrophobicContact CZ2-CE1 3.66Å; W38-Y405 AromaticContact CZ2-CZ 3.99Å; P41-Y405 VanDerWaalsContact CD-OH 3.3Å; P41-Y405 WeakPolarHBondContact CD-OH 3.49Å; P41-Y405 HydrophobicContact CG-CE2 4.16Å; N57-Y405 HydrophobicContact CB-CD1 4.3Å; N57-Y405 WeakPolarHBondContact OD1-CA 3.34Å; D64-Y405 HydrophobicContact CB-CE1 4.23Å; L65-Y405 PolarHBondContact O-OH 3.06Å; F66-Y405 HydrophobicContact CD2-CD1 4.36Å; F66-Y405 AromaticContact CD2-CD2 3.7Å; F66-Y405 HydrophobicContact CD2-CD2 3.7Å; F66-Y405 HydrophobicContact CD2-CE1 4.27Å; F66-Y405 AromaticContact CD2-CE2 3.62Å; F66-Y405 HydrophobicContact CD2-CE2 3.62Å; F66-Y405 HydrophobicContact CD2-CG 4.12Å; F66-Y405 AromaticContact CD2-CZ 3.94Å; F66-Y405 AromaticContact CE2-CD2 3.79Å; F66-Y405 HydrophobicContact CE2-CD2 3.79Å; F66-Y405 AromaticContact CE2-CE2 3.94Å; F66-Y405 HydrophobicContact CE2-CE2 3.94Å; F66-Y405 HydrophobicContact CE2-CG 4.46Å; I67-Y405 PolarHBondContact N-OH 2.76Å; D373-Y405 VanDerWaalsContact O-CD2 3.31Å; D373-Y405 WeakPolarHBondContact O-CD2 3.46Å; D373-Y405 PolarHBondContact O-N 3.48Å; I374-Y405 WeakPolarHBondContact CA-O 3.36Å; H375-Y405 PolarHBondContact N-O 3.24Å; V403-Y405 VanDerWaalsContact CG1-O 3.3Å; V403-Y405 WeakPolarHBondContact CG1-O 3.36Å
406	F	98.1	Very high	92	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.9	170.9	-86.9	-82.7	0	0	0	111.1	N57 S58 L59 L302 H375 H386 L390 V403 H408	N57-F406 PolarHBondContact OD1-N 3.49Å; S58-F406 WeakPolarHBondContact CB-O 3.26Å; S58-F406 PolarHBondContact N-O 2.98Å; S58-F406 PolarHBondContact OG-O 3.42Å; L59-F406 HydrophobicContact CB-CD2 4.23Å; L59-F406 HydrophobicContact CD1-CD2 4.44Å; L59-F406 HydrophobicContact CD2-CD2 4.47Å; L302-F406 HydrophobicContact CD1-CB 4.16Å; L302-F406 HydrophobicContact CD1-CD2 4.22Å; L302-F406 HydrophobicContact CD1-CG 4.16Å; L302-F406 HydrophobicContact CD2-CD1 4.15Å; L302-F406 HydrophobicContact CD2-CE1 4.39Å; L302-F406 HydrophobicContact CD2-CG 4.28Å; H375-F406 HydrophobicContact CB-CD1 3.77Å; H375-F406 HydrophobicContact CB-CE1 3.51Å; H375-F406 HydrophobicContact CB-CZ 4.09Å; H375-F406 AromaticContact CG-CE1 3.67Å; H375-F406 CarbonylContact O-C 3.56Å; H375-F406 VanDerWaalsContact O-CA 3.3Å; H375-F406 WeakPolarHBondContact O-CA 3.25Å; H386-F406 HydrophobicContact CB-CD1 4.31Å; H386-F406 HydrophobicContact CB-CE1 3.65Å; H386-F406 HydrophobicContact CB-CZ 4.3Å; H386-F406 AromaticContact CG-CE1 3.77Å; H386-F406 AromaticContact ND1-CD1 3.76Å; H386-F406 AromaticContact ND1-CE1 3.77Å; L390-F406 HydrophobicContact CD1-CE2 3.67Å; L390-F406 HydrophobicContact CD1-CZ 3.78Å; L390-F406 HydrophobicContact CD2-CE2 3.93Å; L390-F406 HydrophobicContact CD2-CZ 4.04Å; L390-F406 HydrophobicContact CG-CE2 3.99Å; L390-F406 HydrophobicContact CG-CZ 3.78Å; V403-F406 HydrophobicContact CB-CD2 4.24Å; V403-F406 HydrophobicContact CB-CE2 3.56Å; V403-F406 HydrophobicContact CB-CZ 3.88Å; V403-F406 HydrophobicContact CG1-CD2 3.81Å; V403-F406 HydrophobicContact CG1-CE1 4.46Å; V403-F406 HydrophobicContact CG1-CE2 3.6Å; V403-F406 HydrophobicContact CG1-CG 4.34Å; V403-F406 HydrophobicContact CG1-CZ 3.96Å; V403-F406 HydrophobicContact CG2-CE2 4.01Å; V403-F406 HydrophobicContact CG2-CZ 3.79Å; F406-H408 AromaticContact CD1-CE1 3.69Å; F406-H408 AromaticContact CG-CE1 4Å
407	L	98.4	Very high	90.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.5	175.9	-52.1	-176.2	0	0	0	110	L55 Y56 W76 F98 I101 I374 H375 S376 G377 W450	L55-L407 HydrophobicContact CB-CD2 4.08Å; L55-L407 HydrophobicContact CD1-CD1 4.32Å; L55-L407 HydrophobicContact CD1-CD2 4.4Å; Y56-L407 WeakPolarHBondContact O-CD2 3.25Å; W76-L407 HydrophobicContact CH2-CD1 4.4Å; W76-L407 HydrophobicContact CZ2-CD1 4.28Å; F98-L407 HydrophobicContact CE1-CB 4.02Å; F98-L407 WeakPolarHBondContact CZ-O 3.47Å; I101-L407 HydrophobicContact CG2-CD1 4.37Å; I374-L407 HydrophobicContact CD1-CD1 4.27Å; I374-L407 HydrophobicContact CG2-CB 4.45Å; I374-L407 HydrophobicContact CG2-CD1 3.71Å; I374-L407 HydrophobicContact CG2-CG 3.78Å; H375-L407 PolarHBondContact O-N 2.95Å; S376-L407 WeakPolarHBondContact CA-O 3.4Å; S376-L407 WeakPolarHBondContact CB-O 3.32Å; G377-L407 PolarHBondContact N-O 3.45Å; L407-W450 HydrophobicContact CB-CH2 4.09Å; L407-W450 HydrophobicContact CB-CZ3 4.22Å; L407-W450 HydrophobicContact CD2-CH2 4.1Å
408	H	98.2	Very high	89.6	Confident	3 Å²	3	29.7 Å²	29.7	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.9	179.2	-65.1	90.1	0	0	0	111.5	S58 G377 G378 V379 K382 H386 F406 W450	S58-H408 WeakPolarHBondContact CB-ND1 3.47Å; S58-H408 PolarHBondContact OG-ND1 2.97Å; G377-H408 VanDerWaalsContact O-CA 3.24Å; G377-H408 WeakPolarHBondContact O-CA 3.26Å; G378-H408 PolarHBondContact O-CD2 2.96Å; V379-H408 HydrophobicContact CB-CB 4.33Å; K382-H408 HydrophobicContact CG-CB 4.45Å; K382-H408 WeakPolarHBondContact CG-NE2 3.4Å; H386-H408 AromaticContact CE1-CD2 3.8Å; H386-H408 AromaticContact CE1-NE2 3.27Å; H386-H408 PolarHBondContact CE1-NE2 2.89Å; H386-H408 VanDerWaalsContact CE1-NE2 3.27Å; H386-H408 AromaticContact CG-NE2 3.97Å; H386-H408 AromaticContact ND1-CD2 3.71Å; H386-H408 AromaticContact ND1-CE1 3.6Å; H386-H408 AromaticContact ND1-NE2 2.75Å; H386-H408 PolarHBondContact ND1-NE2 3.3Å; F406-H408 AromaticContact CD1-CE1 3.69Å; F406-H408 AromaticContact CG-CE1 4Å; H408-W450 WeakPolarHBondContact O-CZ3 3.5Å
409	S	97.2	Very high	88.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.3	175.9	68.4	0	0	0	0	110.7	T94 G377 V379 W450	T94-S409 WeakPolarHBondContact CA-OG 3.22Å; T94-S409 WeakPolarHBondContact CB-OG 3.46Å; T94-S409 WeakPolarHBondContact CG2-OG 3.31Å; T94-S409 PolarHBondContact OG1-OG 2.98Å; G377-S409 PolarHBondContact O-N 2.82Å; G377-S409 VanDerWaalsContact O-N 3.09Å; V379-S409 WeakPolarHBondContact CB-O 3.47Å; V379-S409 PolarHBondContact N-O 3.22Å; S409-W450 WeakPolarHBondContact CA-O 3.3Å
410	G	94.8	Very high	88	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.021	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-65.3	161.7	174.1	0	0	0	0	0	113.1	W450 R451	G410-W450 PolarHBondContact N-O 3.04Å; G410-R451 VanDerWaalsContact CA-O 3.23Å; G410-R451 WeakPolarHBondContact CA-O 3.49Å; G410-R451 PolarHBondContact N-O 3.48Å
411	H	91.2	Very high	87.3	Confident	45 Å²	45	25.3 Å²	25.3	21%	0.208	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-72.8	157.1	176.4	-77.5	-37.1	0	0	0	112.6	D380 K418 T453 M454	D380-H411 IonicContact OD1-CE1 2.85Å; D380-H411 PolarHBondContact OD1-CE1 3.16Å; D380-H411 IonicContact OD2-CE1 2.85Å; H411-K418 PolarHBondContact CE1-NZ 3.32Å; H411-K418 PolarHBondContact NE2-NZ 2.85Å; H411-T453 HydrophobicContact CB-CG2 4.2Å; H411-T453 WeakPolarHBondContact O-CA 3.48Å; H411-M454 PolarHBondContact O-N 3.32Å
412	L	91.3	Very high	86.3	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.4	164.8	-164.2	71.5	0	0	0	109.1	L89 R93 M419 F445 M454	L89-L412 HydrophobicContact CB-CD2 3.61Å; R93-L412 HydrophobicContact CB-CB 4.47Å; L412-M419 HydrophobicContact CD2-CE 3.66Å; L412-M419 HydrophobicContact CD2-SD 4.12Å; L412-M419 HydrophobicContact CG-CE 4.35Å; L412-M419 WeakPolarHBondContact O-CB 3.43Å; L412-M419 PolarHBondContact O-N 2.78Å; L412-M419 VanDerWaalsContact O-N 3.08Å; L412-F445 HydrophobicContact CD1-CE1 4.37Å; L412-M454 CarbonylContact C-O 3.51Å; L412-M454 WeakPolarHBondContact CA-O 3.25Å; L412-M454 HydrophobicContact CD1-CB 4.19Å; L412-M454 HydrophobicContact CD1-CG 4.09Å; L412-M454 HydrophobicContact CD1-SD 4.19Å
413	T	86.9	Confident	85	Confident	18 Å²	18	27 Å²	27	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	156.1	174.6	58.6	0	0	0	0	110.8	C417 T453 M454 D455 Y456	T413-C417 CarbonylContact C-O 3.59Å; T413-C417 WeakPolarHBondContact CA-O 3.28Å; T413-C417 VanDerWaalsContact CB-O 3.26Å; T413-C417 WeakPolarHBondContact CB-O 3.09Å; T413-T453 HydrophobicContact CG2-CG2 3.8Å; T413-M454 PolarHBondContact N-O 3.37Å; T413-M454 PolarHBondContact OG1-O 2.72Å; T413-D455 WeakPolarHBondContact CB-OD1 3.24Å; T413-D455 VanDerWaalsContact OG1-CA 3.29Å; T413-D455 WeakPolarHBondContact OG1-CA 3.49Å; T413-D455 WeakPolarHBondContact OG1-CB 3.36Å; T413-D455 PolarHBondContact OG1-OD1 2.98Å; T413-Y456 WeakPolarHBondContact O-CB 3.42Å; T413-Y456 PolarHBondContact O-N 3.04Å
414	I	79.8	Confident	83.8	Confident	36 Å²	36	32 Å²	32	19%	0.185	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125	163.1	-72.4	168.9	0	0	0	106.8	G416 C417 M419 N425 I427 Y456	I414-G416 PolarHBondContact O-N 2.86Å; I414-C417 PolarHBondContact N-O 3.36Å; I414-C417 PolarHBondContact O-N 3.34Å; I414-M419 HydrophobicContact CD1-CE 3.21Å; I414-M419 HydrophobicContact CD1-CG 4.42Å; I414-M419 HydrophobicContact CG1-CE 3.65Å; I414-N425 VanDerWaalsContact CD1-O 3.31Å; I414-N425 WeakPolarHBondContact CD1-O 3.42Å; I414-I427 HydrophobicContact CD1-CD1 4.03Å; I414-I427 HydrophobicContact CD1-CG1 4.18Å; I414-Y456 HydrophobicContact CD1-CD1 4.43Å; I414-Y456 HydrophobicContact CG1-CD1 4.18Å
415	S	75.4	Confident	82.8	Confident	106 Å²	106	33.9 Å²	33.9	74%	0.741	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.2	-178.8	-52.1	0	0	0	0	112.1	C417 D455	S415-C417 PolarHBondContact O-N 3.26Å; S415-D455 PolarHBondContact N-OD1 3.37Å
416	G	73.9	Confident	82.1	Confident	60 Å²	60	36.6 Å²	36.6	62%	0.619	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	-12.3	-177.2	0	0	0	0	0	115.9	I414 D455	I414-G416 PolarHBondContact O-N 2.86Å; G416-D455 PolarHBondContact N-OD1 3.32Å
417	C	72.8	Confident	81.7	Confident	41 Å²	41	39 Å²	39	28%	0.277	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	139.1	174.3	-66.6	0	0	0	0	110.4	T413 I414 S415 M419	T413-C417 CarbonylContact C-O 3.59Å; T413-C417 WeakPolarHBondContact CA-O 3.28Å; T413-C417 VanDerWaalsContact CB-O 3.26Å; T413-C417 WeakPolarHBondContact CB-O 3.09Å; I414-C417 PolarHBondContact N-O 3.36Å; I414-C417 PolarHBondContact O-N 3.34Å; S415-C417 PolarHBondContact O-N 3.26Å; C417-M419 PolarHBondContact O-N 2.95Å
418	K	72.9	Confident	81.5	Confident	90 Å²	90	40 Å²	40	39%	0.391	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	127.6	172.6	-178.2	173.6	176.1	171.5	0	109.3	D380 H411 S420 N425	D380-K418 IonicContact OD2-NZ 3.21Å; H411-K418 PolarHBondContact CE1-NZ 3.32Å; H411-K418 PolarHBondContact NE2-NZ 2.85Å; K418-S420 PolarHBondContact O-N 2.95Å; K418-S420 VanDerWaalsContact O-N 3.15Å; K418-N425 PolarHBondContact O-ND2 3.22Å; K418-N425 PolarHBondContact O-OD1 3.29Å
419	M	75.6	Confident	81.3	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.034	23%	0.231	C	C	.	.			trans	-65.6	115.7	173.9	-175	-174	-75.8	0	0	108.4	H88 L89 G90 L412 I414 C417 F426	H88-M419 HydrophobicContact CB-SD 4.38Å; L89-M419 HydrophobicContact CB-CE 3.89Å; L89-M419 HydrophobicContact CB-SD 3.92Å; G90-M419 PolarHBondContact N-SD 3.33Å; L412-M419 HydrophobicContact CD2-CE 3.66Å; L412-M419 HydrophobicContact CD2-SD 4.12Å; L412-M419 HydrophobicContact CG-CE 4.35Å; L412-M419 WeakPolarHBondContact O-CB 3.43Å; L412-M419 PolarHBondContact O-N 2.78Å; L412-M419 VanDerWaalsContact O-N 3.08Å; I414-M419 HydrophobicContact CD1-CE 3.21Å; I414-M419 HydrophobicContact CD1-CG 4.42Å; I414-M419 HydrophobicContact CG1-CE 3.65Å; C417-M419 PolarHBondContact O-N 2.95Å; M419-F426 HydrophobicContact CG-CB 3.57Å; M419-F426 HydrophobicContact SD-CB 4.15Å
420	S	76.1	Confident	81.3	Confident	19 Å²	19	44.1 Å²	44.1	13%	0.133	25%	0.247	C	C	.	.			trans	-149.7	152.3	178.8	72.4	0	0	0	0	112.2	K418 S422 L423 N425	K418-S420 PolarHBondContact O-N 2.95Å; K418-S420 VanDerWaalsContact O-N 3.15Å; S420-S422 VanDerWaalsContact C-N 3.32Å; S420-S422 PolarHBondContact O-N 3.2Å; S420-S422 PolarHBondContact OG-OG 3.01Å; S420-L423 PolarHBondContact O-N 2.67Å; S420-L423 VanDerWaalsContact OG-CG 3.31Å; S420-L423 WeakPolarHBondContact OG-CG 3.49Å; S420-L423 PolarHBondContact OG-N 3.04Å; S420-N425 PolarHBondContact N-OD1 2.76Å; S420-N425 PolarHBondContact O-OD1 2.85Å
421	K	74	Confident	81.2	Confident	30 Å²	30	47.3 Å²	47.3	13%	0.13	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.7	-36.1	176.8	-60.1	-174.3	-178.2	-171.7	0	112.7	Y84 D85 V86 L423 K424 F426	Y84-K421 HydrophobicContact CE2-CD 4.21Å; D85-K421 VanDerWaalsContact C-NZ 3.26Å; D85-K421 VanDerWaalsContact CG-NZ 3.29Å; D85-K421 PolarHBondContact O-NZ 2.82Å; D85-K421 WeakPolarHBondContact OD2-CD 3.49Å; D85-K421 WeakPolarHBondContact OD2-CE 3.2Å; D85-K421 IonicContact OD2-NZ 3.98Å; D85-K421 PolarHBondContact OD2-NZ 3.08Å; V86-K421 WeakPolarHBondContact O-CE 3.27Å; V86-K421 PolarHBondContact O-NZ 3.35Å; K421-L423 PolarHBondContact O-N 3.06Å; K421-K424 PolarHBondContact O-N 3.01Å; K421-F426 HydrophobicContact CB-CD1 4.27Å; K421-F426 HydrophobicContact CB-CE1 4.04Å; K421-F426 HydrophobicContact CG-CD1 4.09Å; K421-F426 HydrophobicContact CG-CE1 3.95Å; K421-F426 HydrophobicContact CG-CE2 4.38Å; K421-F426 HydrophobicContact CG-CG 4.36Å; K421-F426 HydrophobicContact CG-CZ 4.09Å
422	S	70.8	Confident	81.2	Confident	68 Å²	68	45.2 Å²	45.2	48%	0.476	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63.2	-25.7	178.8	45.3	0	0	0	0	113.8	H175 S420	H175-S422 PolarHBondContact CD2-O 3.3Å; S420-S422 VanDerWaalsContact C-N 3.32Å; S420-S422 PolarHBondContact O-N 3.2Å; S420-S422 PolarHBondContact OG-OG 3.01Å
423	L	66.8	Low	81.4	Confident	31 Å²	31	47.3 Å²	47.3	16%	0.162	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-94.2	-0.7	176.7	-64.4	175.7	0	0	0	112.4	D171 K172 S420 K421 N425	D171-L423 HydrophobicContact CB-CD2 3.82Å; K172-L423 HydrophobicContact CG-CD2 4Å; S420-L423 PolarHBondContact O-N 2.67Å; S420-L423 VanDerWaalsContact OG-CG 3.31Å; S420-L423 WeakPolarHBondContact OG-CG 3.49Å; S420-L423 PolarHBondContact OG-N 3.04Å; K421-L423 PolarHBondContact O-N 3.06Å; L423-N425 HydrophobicContact CB-CB 4.3Å; L423-N425 WeakPolarHBondContact CB-OD1 3.31Å; L423-N425 PolarHBondContact O-N 2.84Å
424	K	71.9	Confident	81.6	Confident	109 Å²	109	54 Å²	54	47%	0.474	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	25.9	-171.2	-61.7	-169.7	-171.4	173	0	113.7	E179 K421	E179-K424 IonicContact OE2-NZ 2.74Å; K421-K424 PolarHBondContact O-N 3.01Å
425	N	75.1	Confident	81.9	Confident	40 Å²	40	57.3 Å²	57.3	21%	0.214	32%	0.315	C	S	.	.			trans	-107.3	37.1	-176.9	73.4	-23.5	0	0	0	111.8	I414 K418 S420 L423	I414-N425 VanDerWaalsContact CD1-O 3.31Å; I414-N425 WeakPolarHBondContact CD1-O 3.42Å; K418-N425 PolarHBondContact O-ND2 3.22Å; K418-N425 PolarHBondContact O-OD1 3.29Å; S420-N425 PolarHBondContact N-OD1 2.76Å; S420-N425 PolarHBondContact O-OD1 2.85Å; L423-N425 HydrophobicContact CB-CB 4.3Å; L423-N425 WeakPolarHBondContact CB-OD1 3.31Å; L423-N425 PolarHBondContact O-N 2.84Å
426	F	83.4	Confident	82.6	Confident	57 Å²	57	54.2 Å²	54.2	25%	0.25	29%	0.288	C	S	.	.			trans	-118.5	154.1	-175.7	71.4	-82.1	0	0	0	112.1	V86 H88 M419 K421 T428	V86-F426 HydrophobicContact CG2-CE2 4.48Å; H88-F426 HydrophobicContact CB-CB 4.25Å; H88-F426 HydrophobicContact CB-CD2 3.78Å; H88-F426 HydrophobicContact CB-CG 4.42Å; M419-F426 HydrophobicContact CG-CB 3.57Å; M419-F426 HydrophobicContact SD-CB 4.15Å; K421-F426 HydrophobicContact CB-CD1 4.27Å; K421-F426 HydrophobicContact CB-CE1 4.04Å; K421-F426 HydrophobicContact CG-CD1 4.09Å; K421-F426 HydrophobicContact CG-CE1 3.95Å; K421-F426 HydrophobicContact CG-CE2 4.38Å; K421-F426 HydrophobicContact CG-CG 4.36Å; K421-F426 HydrophobicContact CG-CZ 4.09Å; F426-T428 HydrophobicContact CD2-CG2 4.33Å; F426-T428 HydrophobicContact CE2-CG2 3.86Å
427	I	89.5	Confident	83.5	Confident	51 Å²	51	54.1 Å²	54.1	26%	0.262	28%	0.276	S	S	.	.			trans	-113.8	124.9	174.4	-59.7	168.3	0	0	0	106.5	H88 L89 I414 D431 A432 Y456	H88-I427 WeakPolarHBondContact CA-O 3.4Å; H88-I427 VanDerWaalsContact CB-O 3.3Å; H88-I427 WeakPolarHBondContact CB-O 3.27Å; L89-I427 HydrophobicContact CD1-CB 4.07Å; L89-I427 HydrophobicContact CD1-CG2 4.13Å; L89-I427 HydrophobicContact CG-CB 4.44Å; L89-I427 HydrophobicContact CG-CG2 4.5Å; L89-I427 PolarHBondContact N-O 2.99Å; I414-I427 HydrophobicContact CD1-CD1 4.03Å; I414-I427 HydrophobicContact CD1-CG1 4.18Å; I427-D431 HydrophobicContact CG2-CB 4.11Å; I427-A432 HydrophobicContact CG2-CB 4.01Å; I427-Y456 HydrophobicContact CD1-CD1 3.98Å; I427-Y456 HydrophobicContact CD1-CE1 3.43Å; I427-Y456 VanDerWaalsContact CD1-CE1 3.43Å
428	T	93.5	Very high	84.6	Confident	20 Å²	20	53.5 Å²	53.5	12%	0.123	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-66.6	153.8	175.3	71.7	0	0	0	0	109.8	V86 S87 F426 R430 D431 A432	V86-T428 HydrophobicContact CG2-CG2 3.72Å; S87-T428 WeakPolarHBondContact O-CA 3.49Å; F426-T428 HydrophobicContact CD2-CG2 4.33Å; F426-T428 HydrophobicContact CE2-CG2 3.86Å; T428-R430 PolarHBondContact O-N 2.73Å; T428-D431 PolarHBondContact O-N 2.97Å; T428-D431 VanDerWaalsContact OG1-CB 3.31Å; T428-D431 WeakPolarHBondContact OG1-CB 3.43Å; T428-D431 PolarHBondContact OG1-N 2.98Å; T428-D431 PolarHBondContact OG1-OD2 3.43Å; T428-A432 PolarHBondContact O-N 3.38Å
429	I	95.5	Very high	85.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-42.1	176.2	-67.7	169.2	0	0	0	110.1	S87 A92 D241 M242 L245 A432 L433	S87-I429 PolarHBondContact O-N 2.87Å; A92-I429 HydrophobicContact CB-CD1 4.03Å; A92-I429 HydrophobicContact CB-CG1 4.01Å; D241-I429 HydrophobicContact CB-CB 4.31Å; D241-I429 HydrophobicContact CB-CD1 4Å; D241-I429 HydrophobicContact CB-CG2 4.12Å; M242-I429 HydrophobicContact CE-CD1 3.64Å; L245-I429 HydrophobicContact CD1-CD1 3.87Å; L245-I429 HydrophobicContact CD1-CG1 4.32Å; L245-I429 HydrophobicContact CD1-CG2 3.81Å; L245-I429 HydrophobicContact CD2-CG2 4.18Å; L245-I429 HydrophobicContact CG-CG2 3.97Å; I429-A432 PolarHBondContact O-N 3.09Å; I429-L433 HydrophobicContact CG2-CD1 3.81Å; I429-L433 HydrophobicContact CG2-CG 4.38Å; I429-L433 WeakPolarHBondContact O-CB 3.24Å; I429-L433 VanDerWaalsContact O-CG 3.3Å; I429-L433 WeakPolarHBondContact O-CG 3.33Å; I429-L433 PolarHBondContact O-N 2.84Å
430	R	95.5	Very high	86.7	Confident	90 Å²	90	51.8 Å²	51.8	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-40.7	178.4	-63.7	-177.6	-177.8	-176.7	-4.4	113.4	E237 D241 T428 A432 L433 K434	E237-R430 IonicContact OE1-CZ 3.59Å; E237-R430 IonicContact OE1-NH1 3.8Å; E237-R430 PolarHBondContact OE1-NH1 2.89Å; E237-R430 IonicContact OE1-NH2 3.71Å; E237-R430 PolarHBondContact OE1-NH2 3.12Å; E237-R430 IonicContact OE2-CZ 2.67Å; E237-R430 IonicContact OE2-NH1 2.71Å; E237-R430 PolarHBondContact OE2-NH1 3.22Å; E237-R430 IonicContact OE2-NH2 2.86Å; E237-R430 PolarHBondContact OE2-NH2 3.11Å; D241-R430 VanDerWaalsContact OD1-CG 3.31Å; D241-R430 WeakPolarHBondContact OD1-CG 3.48Å; D241-R430 IonicContact OD1-CZ 3.82Å; D241-R430 IonicContact OD1-NE 2.65Å; D241-R430 PolarHBondContact OD1-NE 3.45Å; D241-R430 IonicContact OD1-NH2 3.79Å; T428-R430 PolarHBondContact O-N 2.73Å; R430-A432 VanDerWaalsContact C-N 3.34Å; R430-L433 PolarHBondContact O-N 3.02Å; R430-K434 WeakPolarHBondContact O-CG 3.45Å; R430-K434 PolarHBondContact O-N 3.39Å; R430-K434 VanDerWaalsContact O-N 3.14Å
431	D	92.4	Very high	87.7	Confident	70 Å²	70	51 Å²	51	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-40.7	176.5	-68.1	-38.6	0	0	0	111.2	I427 T428 L433 K434	I427-D431 HydrophobicContact CG2-CB 4.11Å; T428-D431 PolarHBondContact O-N 2.97Å; T428-D431 VanDerWaalsContact OG1-CB 3.31Å; T428-D431 WeakPolarHBondContact OG1-CB 3.43Å; T428-D431 PolarHBondContact OG1-N 2.98Å; T428-D431 PolarHBondContact OG1-OD2 3.43Å; D431-L433 VanDerWaalsContact C-N 3.31Å; D431-L433 PolarHBondContact O-N 3.38Å; D431-K434 WeakPolarHBondContact O-CB 3.4Å; D431-K434 PolarHBondContact O-N 3.26Å; D431-K434 IonicContact OD1-NZ 2.89Å; D431-K434 PolarHBondContact OD1-NZ 2.87Å
432	A	92.7	Very high	88.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-39.3	173.4	0	0	0	0	0	112.1	L89 I427 T428 I429 R430 K434 T435 H436 I441	L89-A432 HydrophobicContact CD1-CB 3.93Å; L89-A432 HydrophobicContact CD2-CB 3.73Å; L89-A432 HydrophobicContact CG-CB 4.01Å; I427-A432 HydrophobicContact CG2-CB 4.01Å; T428-A432 PolarHBondContact O-N 3.38Å; I429-A432 PolarHBondContact O-N 3.09Å; R430-A432 VanDerWaalsContact C-N 3.34Å; A432-K434 PolarHBondContact O-N 2.86Å; A432-T435 PolarHBondContact O-N 3.18Å; A432-T435 PolarHBondContact O-OG1 2.91Å; A432-H436 WeakPolarHBondContact O-CB 3.42Å; A432-H436 PolarHBondContact O-N 3.39Å; A432-I441 HydrophobicContact CB-CD1 4.02Å
433	L	94.1	Very high	90.1	Very high	50 Å²	50	46.3 Å²	46.3	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-71.1	-12.8	178.1	-72.1	170.5	0	0	0	114.1	C244 I429 R430 D431 T435 H436 I441	C244-L433 HydrophobicContact CB-CD1 3.75Å; I429-L433 HydrophobicContact CG2-CD1 3.81Å; I429-L433 HydrophobicContact CG2-CG 4.38Å; I429-L433 WeakPolarHBondContact O-CB 3.24Å; I429-L433 VanDerWaalsContact O-CG 3.3Å; I429-L433 WeakPolarHBondContact O-CG 3.33Å; I429-L433 PolarHBondContact O-N 2.84Å; R430-L433 PolarHBondContact O-N 3.02Å; D431-L433 VanDerWaalsContact C-N 3.31Å; D431-L433 PolarHBondContact O-N 3.38Å; L433-T435 VanDerWaalsContact C-N 3.34Å; L433-H436 CarbonylContact C-O 3.21Å; L433-H436 VanDerWaalsContact CA-O 3.31Å; L433-H436 WeakPolarHBondContact CA-O 3.42Å; L433-I441 HydrophobicContact CD2-CD1 3.78Å; L433-I441 HydrophobicContact CG-CD1 4.13Å
434	K	91.6	Very high	91.5	Very high	159 Å²	159	44.9 Å²	44.9	69%	0.691	22%	0.221	S	C	*	.	H	α-helix	trans	-70.9	-32.6	171.5	-70.4	169.4	-172.4	166	0	111.9	R430 D431 A432	R430-K434 WeakPolarHBondContact O-CG 3.45Å; R430-K434 PolarHBondContact O-N 3.39Å; R430-K434 VanDerWaalsContact O-N 3.14Å; D431-K434 WeakPolarHBondContact O-CB 3.4Å; D431-K434 PolarHBondContact O-N 3.26Å; D431-K434 IonicContact OD1-NZ 2.89Å; D431-K434 PolarHBondContact OD1-NZ 2.87Å; A432-K434 PolarHBondContact O-N 2.86Å
435	T	86.6	Confident	92.7	Very high	105 Å²	105	40.1 Å²	40.1	64%	0.644	20%	0.201	S	C	*	.	H	α-helix	trans	-108.4	-22.3	-176	55.9	0	0	0	0	113.3	A432 L433	A432-T435 PolarHBondContact O-N 3.18Å; A432-T435 PolarHBondContact O-OG1 2.91Å; L433-T435 VanDerWaalsContact C-N 3.34Å
436	H	90.6	Very high	93.8	Very high	40 Å²	40	38.4 Å²	38.4	19%	0.185	19%	0.191	C	C	.	.	S	Bend	trans	-128.6	153.3	-177	-56.7	-62.7	0	0	0	112.1	A432 L433 Q440 I441	A432-H436 WeakPolarHBondContact O-CB 3.42Å; A432-H436 PolarHBondContact O-N 3.39Å; L433-H436 CarbonylContact C-O 3.21Å; L433-H436 VanDerWaalsContact CA-O 3.31Å; L433-H436 WeakPolarHBondContact CA-O 3.42Å; H436-Q440 VanDerWaalsContact CA-OE1 3.29Å; H436-Q440 HydrophobicContact CB-CB 4.44Å; H436-I441 HydrophobicContact CB-CG1 4.38Å
437	T	92.9	Very high	94.5	Very high	59 Å²	59	36 Å²	36	36%	0.362	18%	0.181	S	C	.	.			trans	-80.2	156.1	173.3	71	0	0	0	0	110.8	R439 Q440 I441	T437-R439 PolarHBondContact O-N 3.25Å; T437-Q440 WeakPolarHBondContact O-CB 3.49Å; T437-Q440 PolarHBondContact O-N 3Å; T437-Q440 VanDerWaalsContact O-N 3.11Å; T437-Q440 VanDerWaalsContact OG1-CG 3.26Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.4Å; T437-Q440 PolarHBondContact OG1-N 3.31Å; T437-Q440 VanDerWaalsContact OG1-N 3.12Å; T437-I441 PolarHBondContact O-N 3.11Å; T437-I441 VanDerWaalsContact O-N 3.09Å
438	S	95.6	Very high	94.9	Very high	28 Å²	28	35.6 Å²	35.6	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-52.3	-43.4	170.8	179.2	0	0	0	0	112	C244 L245 Q440 I441 R442	C244-S438 WeakPolarHBondContact O-CB 3.48Å; C244-S438 PolarHBondContact O-OG 3.21Å; L245-S438 VanDerWaalsContact CA-OG 3.28Å; L245-S438 WeakPolarHBondContact CA-OG 3.14Å; S438-Q440 PolarHBondContact O-N 2.96Å; S438-I441 PolarHBondContact O-N 2.96Å; S438-R442 WeakPolarHBondContact O-CG 3.42Å; S438-R442 PolarHBondContact O-N 2.66Å
439	R	96.2	Very high	95	Very high	41 Å²	41	36 Å²	36	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-44.9	176	-176.6	170.7	57.3	-158.4	-8.2	112.6	T437 R442 L443 E468 V575 L623 D624	T437-R439 PolarHBondContact O-N 3.25Å; R439-R442 PolarHBondContact O-N 2.78Å; R439-L443 HydrophobicContact CG-CD1 4.3Å; R439-L443 WeakPolarHBondContact O-CB 3.31Å; R439-L443 WeakPolarHBondContact O-CG 3.49Å; R439-L443 PolarHBondContact O-N 3.47Å; R439-E468 IonicContact CZ-OE1 3.8Å; R439-E468 IonicContact NE-OE1 3.87Å; R439-E468 PolarHBondContact NE-OE1 3.03Å; R439-E468 IonicContact NH2-OE1 2.7Å; R439-E468 PolarHBondContact NH2-OE1 2.74Å; R439-V575 WeakPolarHBondContact CD-O 3.12Å; R439-V575 HydrophobicContact CG-CG1 3.79Å; R439-V575 WeakPolarHBondContact CG-O 3.11Å; R439-L623 VanDerWaalsContact NH1-CB 3.28Å; R439-D624 IonicContact CZ-OD1 3.96Å; R439-D624 IonicContact NH1-OD1 3.68Å; R439-D624 PolarHBondContact NH1-OD1 3.47Å; R439-D624 IonicContact NH2-OD1 2.77Å
440	Q	95.6	Very high	95.1	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-45.9	175.8	-73	165.1	-4.8	0	0	111.1	H436 T437 S438 R442 L443 I444 V465 E468	H436-Q440 VanDerWaalsContact CA-OE1 3.29Å; H436-Q440 HydrophobicContact CB-CB 4.44Å; T437-Q440 WeakPolarHBondContact O-CB 3.49Å; T437-Q440 PolarHBondContact O-N 3Å; T437-Q440 VanDerWaalsContact O-N 3.11Å; T437-Q440 VanDerWaalsContact OG1-CG 3.26Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.4Å; T437-Q440 PolarHBondContact OG1-N 3.31Å; T437-Q440 VanDerWaalsContact OG1-N 3.12Å; S438-Q440 PolarHBondContact O-N 2.96Å; Q440-R442 VanDerWaalsContact C-N 3.31Å; Q440-R442 PolarHBondContact O-N 3.16Å; Q440-L443 PolarHBondContact O-N 3.14Å; Q440-L443 VanDerWaalsContact O-N 3.16Å; Q440-I444 VanDerWaalsContact O-CG1 3.25Å; Q440-I444 WeakPolarHBondContact O-CG1 3.24Å; Q440-I444 PolarHBondContact O-N 3.4Å; Q440-V465 HydrophobicContact CG-CG2 4.24Å; Q440-E468 WeakPolarHBondContact CG-OE2 3.39Å; Q440-E468 PolarHBondContact NE2-OE2 2.85Å
441	I	96.5	Very high	95.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-42.2	177.1	-64.2	173.4	0	0	0	111.3	L89 L245 A432 L433 H436 T437 S438 I444 F445	L89-I441 HydrophobicContact CD2-CD1 4.38Å; L89-I441 HydrophobicContact CD2-CG2 4.39Å; L245-I441 HydrophobicContact CD2-CB 4.38Å; L245-I441 HydrophobicContact CD2-CD1 4.16Å; L245-I441 HydrophobicContact CD2-CG2 3.99Å; A432-I441 HydrophobicContact CB-CD1 4.02Å; L433-I441 HydrophobicContact CD2-CD1 3.78Å; L433-I441 HydrophobicContact CG-CD1 4.13Å; H436-I441 HydrophobicContact CB-CG1 4.38Å; T437-I441 PolarHBondContact O-N 3.11Å; T437-I441 VanDerWaalsContact O-N 3.09Å; S438-I441 PolarHBondContact O-N 2.96Å; I441-I444 WeakPolarHBondContact O-CB 3.48Å; I441-I444 PolarHBondContact O-N 2.86Å; I441-F445 HydrophobicContact CG2-CD2 4.26Å; I441-F445 HydrophobicContact CG2-CE2 3.59Å; I441-F445 HydrophobicContact CG2-CZ 3.95Å; I441-F445 WeakPolarHBondContact O-CD2 3.28Å; I441-F445 PolarHBondContact O-N 3.33Å
442	R	98	Very high	95.3	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-43.9	175.1	-65.9	-175.6	74.3	93	1.7	112	V96 D99 L245 N246 S438 R439 Q440 I444 F445 L446 F573 G574 V575	V96-R442 HydrophobicContact CG1-CG 4.13Å; D99-R442 IonicContact OD2-CZ 3.97Å; D99-R442 VanDerWaalsContact OD2-CZ 3.29Å; D99-R442 IonicContact OD2-NH1 3.92Å; D99-R442 PolarHBondContact OD2-NH1 2.9Å; D99-R442 IonicContact OD2-NH2 3.5Å; D99-R442 PolarHBondContact OD2-NH2 2.89Å; L245-R442 PolarHBondContact O-NH1 3.18Å; N246-R442 PolarHBondContact O-NH1 2.97Å; S438-R442 WeakPolarHBondContact O-CG 3.42Å; S438-R442 PolarHBondContact O-N 2.66Å; R439-R442 PolarHBondContact O-N 2.78Å; Q440-R442 VanDerWaalsContact C-N 3.31Å; Q440-R442 PolarHBondContact O-N 3.16Å; R442-I444 VanDerWaalsContact C-N 3.35Å; R442-I444 PolarHBondContact O-N 3.5Å; R442-F445 PolarHBondContact O-N 2.87Å; R442-F445 VanDerWaalsContact O-N 3.11Å; R442-L446 VanDerWaalsContact O-CG 3.3Å; R442-L446 WeakPolarHBondContact O-CG 3.38Å; R442-L446 PolarHBondContact O-N 3.45Å; R442-F573 PolarHBondContact NE-O 3.21Å; R442-F573 VanDerWaalsContact NE-O 3.1Å; R442-F573 PolarHBondContact NH2-O 3.34Å; R442-G574 VanDerWaalsContact CD-O 3.27Å; R442-G574 WeakPolarHBondContact CD-O 3.42Å; R442-G574 PolarHBondContact NE-O 3.32Å; R442-V575 HydrophobicContact CB-CG2 4.4Å
443	L	98.3	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-41.5	177.5	-75.8	175.9	0	0	0	112.2	R439 Q440 F445 L446 L447 A464 F467 E468 L528 V575	R439-L443 HydrophobicContact CG-CD1 4.3Å; R439-L443 WeakPolarHBondContact O-CB 3.31Å; R439-L443 WeakPolarHBondContact O-CG 3.49Å; R439-L443 PolarHBondContact O-N 3.47Å; Q440-L443 PolarHBondContact O-N 3.14Å; Q440-L443 VanDerWaalsContact O-N 3.16Å; L443-F445 PolarHBondContact O-N 3.08Å; L443-L446 HydrophobicContact CD2-CD1 4.38Å; L443-L446 PolarHBondContact O-N 3.34Å; L443-L447 WeakPolarHBondContact O-CB 3.31Å; L443-L447 WeakPolarHBondContact O-CD1 3.4Å; L443-L447 VanDerWaalsContact O-CG 3.24Å; L443-L447 WeakPolarHBondContact O-CG 3.35Å; L443-L447 PolarHBondContact O-N 3.46Å; L443-A464 HydrophobicContact CB-CB 4.07Å; L443-F467 HydrophobicContact CD1-CD1 4.33Å; L443-F467 HydrophobicContact CD2-CD1 3.83Å; L443-F467 HydrophobicContact CD2-CE1 3.91Å; L443-E468 HydrophobicContact CD1-CB 3.75Å; L443-E468 HydrophobicContact CD1-CG 4.36Å; L443-L528 HydrophobicContact CD2-CD1 4.47Å; L443-V575 HydrophobicContact CD1-CG1 4.38Å; L443-V575 HydrophobicContact CD2-CG1 3.78Å; L443-V575 HydrophobicContact CD2-CG2 3.96Å; L443-V575 HydrophobicContact CG-CG1 4.07Å; L443-V575 HydrophobicContact CG-CG2 4.38Å
444	I	96.6	Very high	95.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-51	-48.4	172.4	-68.4	166.9	0	0	0	109.8	Q440 I441 R442 H448 M454 Y456 L461 A464	Q440-I444 VanDerWaalsContact O-CG1 3.25Å; Q440-I444 WeakPolarHBondContact O-CG1 3.24Å; Q440-I444 PolarHBondContact O-N 3.4Å; I441-I444 WeakPolarHBondContact O-CB 3.48Å; I441-I444 PolarHBondContact O-N 2.86Å; R442-I444 VanDerWaalsContact C-N 3.35Å; R442-I444 PolarHBondContact O-N 3.5Å; I444-H448 PolarHBondContact O-ND1 3.49Å; I444-M454 HydrophobicContact CG2-CE 3.18Å; I444-M454 HydrophobicContact CG2-SD 4.28Å; I444-Y456 HydrophobicContact CD1-CE2 4.39Å; I444-L461 HydrophobicContact CD1-CD2 3.28Å; I444-L461 HydrophobicContact CD1-CG 4.19Å; I444-L461 HydrophobicContact CG1-CD2 4.46Å; I444-A464 HydrophobicContact CB-CB 4.25Å; I444-A464 HydrophobicContact CD1-CB 4.42Å; I444-A464 HydrophobicContact CG1-CB 3.31Å
445	F	97.5	Very high	95.1	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-72.6	-34.3	-178	-62.3	-27.8	0	0	0	113.9	A92 R93 V96 L412 I441 R442 L443 L447 H448 M454	A92-F445 HydrophobicContact CB-CE2 4.02Å; A92-F445 HydrophobicContact CB-CZ 4.2Å; R93-F445 HydrophobicContact CB-CE1 4.03Å; R93-F445 HydrophobicContact CB-CE2 4.48Å; R93-F445 HydrophobicContact CB-CZ 4Å; R93-F445 VanDerWaalsContact NH1-CB 3.27Å; R93-F445 PolarHBondContact NH1-O 3.47Å; V96-F445 HydrophobicContact CB-CD2 3.76Å; V96-F445 HydrophobicContact CB-CE2 4.25Å; V96-F445 HydrophobicContact CG1-CB 4.45Å; V96-F445 HydrophobicContact CG1-CD2 3.83Å; V96-F445 HydrophobicContact CG2-CD2 4.09Å; V96-F445 HydrophobicContact CG2-CE2 4.19Å; L412-F445 HydrophobicContact CD1-CE1 4.37Å; I441-F445 HydrophobicContact CG2-CD2 4.26Å; I441-F445 HydrophobicContact CG2-CE2 3.59Å; I441-F445 HydrophobicContact CG2-CZ 3.95Å; I441-F445 WeakPolarHBondContact O-CD2 3.28Å; I441-F445 PolarHBondContact O-N 3.33Å; R442-F445 PolarHBondContact O-N 2.87Å; R442-F445 VanDerWaalsContact O-N 3.11Å; L443-F445 PolarHBondContact O-N 3.08Å; F445-L447 VanDerWaalsContact C-N 3.35Å; F445-H448 PolarHBondContact O-N 3.47Å; F445-M454 HydrophobicContact CD1-SD 4.03Å
446	L	98.3	Very high	95.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-72.3	-27.5	177.5	-68.9	165	0	0	0	112.9	V100 R442 L443 H448 T524 R525 L528 F573 V575	V100-L446 HydrophobicContact CB-CD2 4.42Å; V100-L446 HydrophobicContact CG1-CD2 3.73Å; V100-L446 HydrophobicContact CG2-CD2 3.84Å; R442-L446 VanDerWaalsContact O-CG 3.3Å; R442-L446 WeakPolarHBondContact O-CG 3.38Å; R442-L446 PolarHBondContact O-N 3.45Å; L443-L446 HydrophobicContact CD2-CD1 4.38Å; L443-L446 PolarHBondContact O-N 3.34Å; L446-H448 PolarHBondContact O-N 2.96Å; L446-T524 HydrophobicContact CD2-CG2 3.65Å; L446-T524 CarbonylContact O-C 3.57Å; L446-T524 PolarHBondContact O-OG1 3.15Å; L446-R525 WeakPolarHBondContact O-CA 3.37Å; L446-R525 PolarHBondContact O-N 3.1Å; L446-L528 HydrophobicContact CB-CD1 3.74Å; L446-F573 HydrophobicContact CD1-CB 3.93Å; L446-F573 HydrophobicContact CD1-CD2 4.47Å; L446-F573 HydrophobicContact CD1-CG 4.5Å; L446-F573 HydrophobicContact CD2-CB 4.23Å; L446-F573 HydrophobicContact CD2-CD2 4.41Å; L446-F573 HydrophobicContact CD2-CG 4.23Å; L446-V575 HydrophobicContact CD1-CG2 3.32Å
447	L	97.6	Very high	95.1	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.4	174.1	-72.2	163.7	0	0	0	112.8	L443 F445 E463 A464 R525 L528	L443-L447 WeakPolarHBondContact O-CB 3.31Å; L443-L447 WeakPolarHBondContact O-CD1 3.4Å; L443-L447 VanDerWaalsContact O-CG 3.24Å; L443-L447 WeakPolarHBondContact O-CG 3.35Å; L443-L447 PolarHBondContact O-N 3.46Å; F445-L447 VanDerWaalsContact C-N 3.35Å; L447-E463 HydrophobicContact CD1-CG 4.04Å; L447-A464 HydrophobicContact CD1-CB 4.09Å; L447-R525 WeakPolarHBondContact O-CD 3.38Å; L447-R525 WeakPolarHBondContact O-CG 3.47Å; L447-L528 HydrophobicContact CD2-CB 4.38Å; L447-L528 HydrophobicContact CD2-CD1 3.71Å; L447-L528 HydrophobicContact CG-CD1 3.84Å
448	H	96.5	Very high	94.7	Very high	44 Å²	44	32 Å²	32	20%	0.204	17%	0.172	C	C	.	.	S	Bend	trans	-128.3	142.5	-175.2	-63.8	77.2	0	0	0	111.8	R93 I444 F445 L446 W450 M454	R93-H448 PolarHBondContact NH2-O 3.25Å; I444-H448 PolarHBondContact O-ND1 3.49Å; F445-H448 PolarHBondContact O-N 3.47Å; L446-H448 PolarHBondContact O-N 2.96Å; H448-W450 PolarHBondContact O-N 2.96Å; H448-M454 HydrophobicContact CB-CE 4.39Å; H448-M454 HydrophobicContact CB-CG 4.31Å; H448-M454 HydrophobicContact CB-SD 3.77Å; H448-M454 VanDerWaalsContact CE1-CE 3.41Å; H448-M454 WeakPolarHBondContact CE1-CE 3.44Å; H448-M454 VanDerWaalsContact ND1-CE 3.3Å; H448-M454 WeakPolarHBondContact ND1-CE 3.44Å
449	S	96.6	Very high	94.3	Very high	29 Å²	29	36.7 Å²	36.7	20%	0.203	20%	0.195	C	C	.	.			trans	-54.8	120.1	176.7	170.5	0	0	0	0	112.1	R93 R451 D452	R93-S449 VanDerWaalsContact NH2-C 3.28Å; R93-S449 PolarHBondContact NH2-O 2.87Å; S449-R451 PolarHBondContact O-N 2.84Å; S449-R451 VanDerWaalsContact O-N 3.14Å; S449-R451 WeakPolarHBondContact OG-CG 3.36Å; S449-D452 WeakPolarHBondContact CB-OD2 3.29Å; S449-D452 PolarHBondContact O-N 3.41Å; S449-D452 PolarHBondContact OG-OD2 2.99Å
450	W	97.3	Very high	94.1	Very high	12 Å²	12	35.5 Å²	35.5	5%	0.045	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.9	-173.6	65.4	-97.1	0	0	0	114.4	A97 F98 I101 L407 H408 S409 G410 H448 S521	A97-W450 HydrophobicContact CB-CB 4.01Å; F98-W450 HydrophobicContact CE1-CZ3 4.49Å; I101-W450 HydrophobicContact CD1-CD2 3.79Å; I101-W450 HydrophobicContact CD1-CE3 4.04Å; I101-W450 HydrophobicContact CD1-CG 4.19Å; I101-W450 HydrophobicContact CD1-CH2 4.46Å; I101-W450 HydrophobicContact CD1-CZ2 4.21Å; I101-W450 HydrophobicContact CD1-CZ3 4.37Å; L407-W450 HydrophobicContact CB-CH2 4.09Å; L407-W450 HydrophobicContact CB-CZ3 4.22Å; L407-W450 HydrophobicContact CD2-CH2 4.1Å; H408-W450 WeakPolarHBondContact O-CZ3 3.5Å; S409-W450 WeakPolarHBondContact CA-O 3.3Å; G410-W450 PolarHBondContact N-O 3.04Å; H448-W450 PolarHBondContact O-N 2.96Å; W450-S521 PolarHBondContact NE1-O 2.99Å
451	R	95.7	Very high	93.8	Very high	74 Å²	74	35.6 Å²	35.6	28%	0.279	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-22.5	-177.3	62.7	165.8	-170.8	-96.4	-8.4	113.9	G410 S449	G410-R451 VanDerWaalsContact CA-O 3.23Å; G410-R451 WeakPolarHBondContact CA-O 3.49Å; G410-R451 PolarHBondContact N-O 3.48Å; S449-R451 PolarHBondContact O-N 2.84Å; S449-R451 VanDerWaalsContact O-N 3.14Å; S449-R451 WeakPolarHBondContact OG-CG 3.36Å
452	D	95.6	Very high	93.4	Very high	77 Å²	77	38.3 Å²	38.3	41%	0.412	22%	0.216	S	C	.	.	S	Bend	trans	-92.3	152	-173.2	-58.8	-42.4	0	0	0	110.3	S449 M454	S449-D452 WeakPolarHBondContact CB-OD2 3.29Å; S449-D452 PolarHBondContact O-N 3.41Å; S449-D452 PolarHBondContact OG-OD2 2.99Å; D452-M454 PolarHBondContact O-N 2.87Å
453	T	93.3	Very high	93.3	Very high	91 Å²	91	42.3 Å²	42.3	56%	0.558	24%	0.235	S	C	*	.			trans	-63.1	135.1	175.2	-60	0	0	0	0	109.9	H411 T413	H411-T453 HydrophobicContact CB-CG2 4.2Å; H411-T453 WeakPolarHBondContact O-CA 3.48Å; T413-T453 HydrophobicContact CG2-CG2 3.8Å
454	M	91.9	Very high	93.1	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.2	-177.7	176.5	-178.5	178.7	0	0	110	H411 L412 T413 I444 F445 H448 D452 T460	H411-M454 PolarHBondContact O-N 3.32Å; L412-M454 CarbonylContact C-O 3.51Å; L412-M454 WeakPolarHBondContact CA-O 3.25Å; L412-M454 HydrophobicContact CD1-CB 4.19Å; L412-M454 HydrophobicContact CD1-CG 4.09Å; L412-M454 HydrophobicContact CD1-SD 4.19Å; T413-M454 PolarHBondContact N-O 3.37Å; T413-M454 PolarHBondContact OG1-O 2.72Å; I444-M454 HydrophobicContact CG2-CE 3.18Å; I444-M454 HydrophobicContact CG2-SD 4.28Å; F445-M454 HydrophobicContact CD1-SD 4.03Å; H448-M454 HydrophobicContact CB-CE 4.39Å; H448-M454 HydrophobicContact CB-CG 4.31Å; H448-M454 HydrophobicContact CB-SD 3.77Å; H448-M454 VanDerWaalsContact CE1-CE 3.41Å; H448-M454 WeakPolarHBondContact CE1-CE 3.44Å; H448-M454 VanDerWaalsContact ND1-CE 3.3Å; H448-M454 WeakPolarHBondContact ND1-CE 3.44Å; D452-M454 PolarHBondContact O-N 2.87Å; M454-T460 HydrophobicContact CE-CG2 4.25Å
455	D	90.5	Very high	92.9	Very high	59 Å²	59	44.1 Å²	44.1	32%	0.316	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.5	170.3	-162.3	65.3	0	0	0	110.5	T413 S415 G416 T460	T413-D455 WeakPolarHBondContact CB-OD1 3.24Å; T413-D455 VanDerWaalsContact OG1-CA 3.29Å; T413-D455 WeakPolarHBondContact OG1-CA 3.49Å; T413-D455 WeakPolarHBondContact OG1-CB 3.36Å; T413-D455 PolarHBondContact OG1-OD1 2.98Å; S415-D455 PolarHBondContact N-OD1 3.37Å; G416-D455 PolarHBondContact N-OD1 3.32Å; D455-T460 WeakPolarHBondContact O-CG2 3.46Å
456	Y	89.7	Confident	92.7	Very high	20 Å²	20	45 Å²	45	8%	0.078	26%	0.258	C	S	.	.			trans	-91.9	111.5	174	-176.9	-94.7	0	0	0	109.1	L89 T413 I414 I427 I444 L461	L89-Y456 HydrophobicContact CD1-CD1 4.4Å; L89-Y456 HydrophobicContact CD1-CD2 3.99Å; L89-Y456 HydrophobicContact CD1-CE1 3.97Å; L89-Y456 HydrophobicContact CD1-CE2 3.51Å; L89-Y456 HydrophobicContact CD1-CG 4.4Å; L89-Y456 VanDerWaalsContact CD1-CZ 3.47Å; T413-Y456 WeakPolarHBondContact O-CB 3.42Å; T413-Y456 PolarHBondContact O-N 3.04Å; I414-Y456 HydrophobicContact CD1-CD1 4.43Å; I414-Y456 HydrophobicContact CG1-CD1 4.18Å; I427-Y456 HydrophobicContact CD1-CD1 3.98Å; I427-Y456 HydrophobicContact CD1-CE1 3.43Å; I427-Y456 VanDerWaalsContact CD1-CE1 3.43Å; I444-Y456 HydrophobicContact CD1-CE2 4.39Å; Y456-L461 HydrophobicContact CE1-CD1 4.11Å; Y456-L461 HydrophobicContact CE2-CD1 4.32Å; Y456-L461 HydrophobicContact CE2-CD2 3.86Å; Y456-L461 HydrophobicContact CE2-CG 4.1Å; Y456-L461 WeakPolarHBondContact OH-CD1 3.14Å; Y456-L461 WeakPolarHBondContact OH-CD2 3.44Å
457	S	87.2	Confident	92.7	Very high	33 Å²	33	45 Å²	45	23%	0.231	26%	0.257	C	S	.	.			trans	-139.4	166.5	-177.2	77.4	0	0	0	0	112.1	D459 T460 L461	S457-D459 PolarHBondContact O-N 3.21Å; S457-D459 PolarHBondContact OG-N 3.3Å; S457-T460 PolarHBondContact N-OG1 3.09Å; S457-T460 PolarHBondContact O-N 2.94Å; S457-T460 PolarHBondContact O-OG1 3.19Å; S457-T460 PolarHBondContact OG-N 3.07Å; S457-L461 WeakPolarHBondContact O-CG 3.35Å; S457-L461 PolarHBondContact O-N 3.3Å; S457-L461 VanDerWaalsContact O-N 3.12Å
458	V	84.3	Confident	92.6	Very high	118 Å²	118	44.8 Å²	44.8	72%	0.715	26%	0.256	S	S	*	.	H	α-helix	trans	-56.8	-34.6	173.5	-178.8	0	0	0	0	111.4	L461 A462	V458-L461 WeakPolarHBondContact O-CB 3.48Å; V458-L461 PolarHBondContact O-N 3.11Å; V458-A462 WeakPolarHBondContact O-CB 3.4Å; V458-A462 PolarHBondContact O-N 2.9Å
459	D	88.2	Confident	92.4	Very high	127 Å²	127	45.7 Å²	45.7	68%	0.679	26%	0.259	S	S	*	.	H	α-helix	trans	-69.4	-44	179.2	-62	-35.2	0	0	0	111.8	S457 L461 A462 E463	S457-D459 PolarHBondContact O-N 3.21Å; S457-D459 PolarHBondContact OG-N 3.3Å; D459-L461 VanDerWaalsContact C-N 3.26Å; D459-L461 PolarHBondContact O-N 2.91Å; D459-A462 PolarHBondContact O-N 3.3Å; D459-E463 PolarHBondContact O-N 2.74Å
460	T	90.7	Very high	92.3	Very high	16 Å²	16	49 Å²	49	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-33.5	176.4	59.7	0	0	0	0	112.4	M454 D455 S457 A464	M454-T460 HydrophobicContact CE-CG2 4.25Å; D455-T460 WeakPolarHBondContact O-CG2 3.46Å; S457-T460 PolarHBondContact N-OG1 3.09Å; S457-T460 PolarHBondContact O-N 2.94Å; S457-T460 PolarHBondContact O-OG1 3.19Å; S457-T460 PolarHBondContact OG-N 3.07Å; T460-A464 PolarHBondContact O-N 3Å
461	L	89	Confident	92.3	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-47.3	172.4	-73	162.5	0	0	0	111.2	I444 Y456 S457 V458 D459 E463 A464 V465	I444-L461 HydrophobicContact CD1-CD2 3.28Å; I444-L461 HydrophobicContact CD1-CG 4.19Å; I444-L461 HydrophobicContact CG1-CD2 4.46Å; Y456-L461 HydrophobicContact CE1-CD1 4.11Å; Y456-L461 HydrophobicContact CE2-CD1 4.32Å; Y456-L461 HydrophobicContact CE2-CD2 3.86Å; Y456-L461 HydrophobicContact CE2-CG 4.1Å; Y456-L461 WeakPolarHBondContact OH-CD1 3.14Å; Y456-L461 WeakPolarHBondContact OH-CD2 3.44Å; S457-L461 WeakPolarHBondContact O-CG 3.35Å; S457-L461 PolarHBondContact O-N 3.3Å; S457-L461 VanDerWaalsContact O-N 3.12Å; V458-L461 WeakPolarHBondContact O-CB 3.48Å; V458-L461 PolarHBondContact O-N 3.11Å; D459-L461 VanDerWaalsContact C-N 3.26Å; D459-L461 PolarHBondContact O-N 2.91Å; L461-E463 VanDerWaalsContact C-N 3.29Å; L461-E463 PolarHBondContact O-N 3.16Å; L461-A464 PolarHBondContact O-N 3.38Å; L461-V465 WeakPolarHBondContact O-CG2 3.33Å; L461-V465 PolarHBondContact O-N 3.43Å
462	A	89.1	Confident	92.1	Very high	60 Å²	60	46 Å²	46	50%	0.496	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-36.5	179.4	0	0	0	0	0	112.1	V458 D459 G466	V458-A462 WeakPolarHBondContact O-CB 3.4Å; V458-A462 PolarHBondContact O-N 2.9Å; D459-A462 PolarHBondContact O-N 3.3Å; A462-G466 PolarHBondContact O-N 2.9Å
463	E	94.7	Very high	91.9	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-48	174.6	-170.2	-174.9	-175.4	0	0	111.5	L447 D459 L461 G466 F467	L447-E463 HydrophobicContact CD1-CG 4.04Å; D459-E463 PolarHBondContact O-N 2.74Å; L461-E463 VanDerWaalsContact C-N 3.29Å; L461-E463 PolarHBondContact O-N 3.16Å; E463-G466 PolarHBondContact O-N 3.09Å; E463-F467 WeakPolarHBondContact O-CB 3.39Å; E463-F467 PolarHBondContact O-N 2.87Å
464	A	95.6	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-42.1	-180	0	0	0	0	0	112.9	L443 I444 L447 T460 L461 G466 F467 E468	L443-A464 HydrophobicContact CB-CB 4.07Å; I444-A464 HydrophobicContact CB-CB 4.25Å; I444-A464 HydrophobicContact CD1-CB 4.42Å; I444-A464 HydrophobicContact CG1-CB 3.31Å; L447-A464 HydrophobicContact CD1-CB 4.09Å; T460-A464 PolarHBondContact O-N 3Å; L461-A464 PolarHBondContact O-N 3.38Å; A464-G466 VanDerWaalsContact C-N 3.33Å; A464-F467 PolarHBondContact O-N 2.85Å; A464-E468 WeakPolarHBondContact O-CB 3.35Å; A464-E468 PolarHBondContact O-N 2.87Å
465	V	92.6	Very high	92.2	Very high	39 Å²	39	39.9 Å²	39.9	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-43	174.2	173.7	0	0	0	0	110.6	Q440 L461 F467 E468 K469	Q440-V465 HydrophobicContact CG-CG2 4.24Å; L461-V465 WeakPolarHBondContact O-CG2 3.33Å; L461-V465 PolarHBondContact O-N 3.43Å; V465-F467 PolarHBondContact O-N 3.46Å; V465-E468 PolarHBondContact O-N 3.24Å; V465-K469 WeakPolarHBondContact O-CB 3.3Å; V465-K469 PolarHBondContact O-N 2.96Å
466	G	93.2	Very high	92.2	Very high	28 Å²	28	37.7 Å²	37.7	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-41.4	176.2	0	0	0	0	0	112.6	A462 E463 A464 K469 Q470	A462-G466 PolarHBondContact O-N 2.9Å; E463-G466 PolarHBondContact O-N 3.09Å; A464-G466 VanDerWaalsContact C-N 3.33Å; G466-K469 WeakPolarHBondContact O-CB 3.36Å; G466-K469 PolarHBondContact O-N 2.75Å; G466-Q470 WeakPolarHBondContact O-CG 3.48Å; G466-Q470 PolarHBondContact O-N 3.15Å
467	F	96.8	Very high	92.4	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-69.7	-41.7	177.5	-175.4	-114.2	0	0	0	112.5	L443 E463 A464 V465 K469 Q470 L471 L528 I531 K532	L443-F467 HydrophobicContact CD1-CD1 4.33Å; L443-F467 HydrophobicContact CD2-CD1 3.83Å; L443-F467 HydrophobicContact CD2-CE1 3.91Å; E463-F467 WeakPolarHBondContact O-CB 3.39Å; E463-F467 PolarHBondContact O-N 2.87Å; A464-F467 PolarHBondContact O-N 2.85Å; V465-F467 PolarHBondContact O-N 3.46Å; F467-K469 VanDerWaalsContact C-N 3.29Å; F467-K469 PolarHBondContact O-N 3.4Å; F467-Q470 PolarHBondContact O-N 3.24Å; F467-L471 HydrophobicContact CD1-CD1 3.97Å; F467-L471 HydrophobicContact CE1-CD1 3.62Å; F467-L471 HydrophobicContact CE1-CG 4.17Å; F467-L471 HydrophobicContact CE2-CG 4.46Å; F467-L471 HydrophobicContact CZ-CD1 4.06Å; F467-L471 HydrophobicContact CZ-CD2 4.2Å; F467-L471 HydrophobicContact CZ-CG 4.14Å; F467-L471 WeakPolarHBondContact O-CG 3.3Å; F467-L471 PolarHBondContact O-N 3.29Å; F467-L528 HydrophobicContact CD1-CD1 4.33Å; F467-L528 HydrophobicContact CE1-CB 4.33Å; F467-L528 HydrophobicContact CE1-CD1 3.8Å; F467-L528 HydrophobicContact CE1-CD2 3.83Å; F467-L528 HydrophobicContact CE1-CG 4.19Å; F467-L528 HydrophobicContact CZ-CB 4.1Å; F467-L528 HydrophobicContact CZ-CD1 4.41Å; F467-L528 HydrophobicContact CZ-CD2 4Å; F467-L528 HydrophobicContact CZ-CG 4.38Å; F467-I531 HydrophobicContact CZ-CG2 4.27Å; F467-K532 HydrophobicContact CD2-CD 4.27Å; F467-K532 VanDerWaalsContact CD2-CE 3.46Å; F467-K532 HydrophobicContact CD2-CG 3.92Å; F467-K532 HydrophobicContact CE2-CD 4.18Å; F467-K532 HydrophobicContact CE2-CG 3.46Å; F467-K532 VanDerWaalsContact CE2-CG 3.46Å
468	E	95.5	Very high	92.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-56.7	-44.8	171.7	-177	-172.9	-152.2	0	0	111.2	R439 Q440 L443 A464 V465 Q470 L471 I472	R439-E468 IonicContact CZ-OE1 3.8Å; R439-E468 IonicContact NE-OE1 3.87Å; R439-E468 PolarHBondContact NE-OE1 3.03Å; R439-E468 IonicContact NH2-OE1 2.7Å; R439-E468 PolarHBondContact NH2-OE1 2.74Å; Q440-E468 WeakPolarHBondContact CG-OE2 3.39Å; Q440-E468 PolarHBondContact NE2-OE2 2.85Å; L443-E468 HydrophobicContact CD1-CB 3.75Å; L443-E468 HydrophobicContact CD1-CG 4.36Å; A464-E468 WeakPolarHBondContact O-CB 3.35Å; A464-E468 PolarHBondContact O-N 2.87Å; V465-E468 PolarHBondContact O-N 3.24Å; E468-Q470 PolarHBondContact O-N 2.98Å; E468-L471 WeakPolarHBondContact O-CB 3.32Å; E468-L471 PolarHBondContact O-N 3.12Å; E468-I472 HydrophobicContact CG-CD1 3.95Å; E468-I472 WeakPolarHBondContact O-CG1 3.39Å; E468-I472 PolarHBondContact O-N 3.06Å
469	K	92.2	Very high	93	Very high	63 Å²	63	30.5 Å²	30.5	27%	0.274	17%	0.171	S	C	.	.	H	α-helix	trans	-59.2	-47.4	175.9	178.2	174.5	-176.8	171.2	0	111.9	V465 G466 F467 L471 I472 D473 F793 E797	V465-K469 WeakPolarHBondContact O-CB 3.3Å; V465-K469 PolarHBondContact O-N 2.96Å; G466-K469 WeakPolarHBondContact O-CB 3.36Å; G466-K469 PolarHBondContact O-N 2.75Å; F467-K469 VanDerWaalsContact C-N 3.29Å; F467-K469 PolarHBondContact O-N 3.4Å; K469-L471 VanDerWaalsContact C-N 3.29Å; K469-L471 PolarHBondContact O-N 3.49Å; K469-I472 PolarHBondContact O-N 2.82Å; K469-D473 WeakPolarHBondContact CE-OD2 3.47Å; K469-D473 WeakPolarHBondContact CG-OD2 3.46Å; K469-D473 WeakPolarHBondContact O-CB 3.23Å; K469-D473 PolarHBondContact O-N 3.32Å; K469-F793 HydrophobicContact CB-CZ 3.96Å; K469-F793 HydrophobicContact CG-CZ 4.06Å; K469-E797 WeakPolarHBondContact CE-OE1 3.41Å; K469-E797 IonicContact NZ-OE1 3.88Å; K469-E797 PolarHBondContact NZ-OE1 2.88Å
470	Q	95.1	Very high	93.2	Very high	98 Å²	98	24.5 Å²	24.5	46%	0.458	14%	0.139	S	C	.	.	H	α-helix	trans	-57.6	-44	177.4	-71.3	169.7	23.9	0	0	111.3	G466 F467 E468 D473 F474 M535	G466-Q470 WeakPolarHBondContact O-CG 3.48Å; G466-Q470 PolarHBondContact O-N 3.15Å; F467-Q470 PolarHBondContact O-N 3.24Å; E468-Q470 PolarHBondContact O-N 2.98Å; Q470-D473 PolarHBondContact O-N 3.39Å; Q470-F474 VanDerWaalsContact O-CB 3.32Å; Q470-F474 WeakPolarHBondContact O-CB 3.41Å; Q470-F474 PolarHBondContact O-N 2.87Å; Q470-M535 HydrophobicContact CB-CE 3.88Å; Q470-M535 WeakPolarHBondContact O-CE 3.31Å
471	L	96.7	Very high	93.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.2	-49.1	176.7	-72.7	169.6	0	0	0	112	F467 E468 K469 F474 L475 I531 M535 I566 L570 L623	F467-L471 HydrophobicContact CD1-CD1 3.97Å; F467-L471 HydrophobicContact CE1-CD1 3.62Å; F467-L471 HydrophobicContact CE1-CG 4.17Å; F467-L471 HydrophobicContact CE2-CG 4.46Å; F467-L471 HydrophobicContact CZ-CD1 4.06Å; F467-L471 HydrophobicContact CZ-CD2 4.2Å; F467-L471 HydrophobicContact CZ-CG 4.14Å; F467-L471 WeakPolarHBondContact O-CG 3.3Å; F467-L471 PolarHBondContact O-N 3.29Å; E468-L471 WeakPolarHBondContact O-CB 3.32Å; E468-L471 PolarHBondContact O-N 3.12Å; K469-L471 VanDerWaalsContact C-N 3.29Å; K469-L471 PolarHBondContact O-N 3.49Å; L471-F474 PolarHBondContact O-N 3.29Å; L471-L475 WeakPolarHBondContact O-CB 3.35Å; L471-L475 VanDerWaalsContact O-CG 3.24Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å; L471-L475 PolarHBondContact O-N 3.08Å; L471-I531 HydrophobicContact CD2-CG2 4Å; L471-M535 HydrophobicContact CD2-CE 4.24Å; L471-M535 HydrophobicContact CD2-SD 3.76Å; L471-I566 HydrophobicContact CD2-CG2 3.92Å; L471-L570 HydrophobicContact CD1-CD1 3.68Å; L471-L570 HydrophobicContact CD2-CD1 3.79Å; L471-L570 HydrophobicContact CG-CD1 4.33Å; L471-L623 HydrophobicContact CB-CD1 4.24Å
472	I	93	Very high	93.2	Very high	23 Å²	23	23.2 Å²	23.2	12%	0.118	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-47.7	179.4	-68.8	169.3	0	0	0	110.3	E468 K469 F474 Y476 L623 V789 F793	E468-I472 HydrophobicContact CG-CD1 3.95Å; E468-I472 WeakPolarHBondContact O-CG1 3.39Å; E468-I472 PolarHBondContact O-N 3.06Å; K469-I472 PolarHBondContact O-N 2.82Å; I472-F474 VanDerWaalsContact C-N 3.33Å; I472-F474 PolarHBondContact O-N 3.1Å; I472-Y476 WeakPolarHBondContact O-CB 3.23Å; I472-Y476 PolarHBondContact O-N 3.42Å; I472-L623 HydrophobicContact CG1-CD1 3.85Å; I472-V789 HydrophobicContact CG2-CG1 4.39Å; I472-F793 HydrophobicContact CD1-CE1 4.21Å; I472-F793 HydrophobicContact CD1-CE2 4.21Å; I472-F793 HydrophobicContact CD1-CZ 4.02Å
473	D	91.1	Very high	93.2	Very high	42 Å²	42	20.6 Å²	20.6	23%	0.225	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-38.2	-178.2	-68.8	-10	0	0	0	111.8	K469 Q470 Y476 T477 R766	K469-D473 WeakPolarHBondContact CE-OD2 3.47Å; K469-D473 WeakPolarHBondContact CG-OD2 3.46Å; K469-D473 WeakPolarHBondContact O-CB 3.23Å; K469-D473 PolarHBondContact O-N 3.32Å; Q470-D473 PolarHBondContact O-N 3.39Å; D473-Y476 WeakPolarHBondContact O-CB 3.38Å; D473-T477 PolarHBondContact O-N 3.4Å; D473-T477 VanDerWaalsContact O-N 3.09Å; D473-T477 PolarHBondContact O-OG1 2.95Å; D473-R766 IonicContact OD1-CZ 3.64Å; D473-R766 IonicContact OD1-NH1 3.59Å; D473-R766 PolarHBondContact OD1-NH1 3.35Å; D473-R766 IonicContact OD1-NH2 2.91Å; D473-R766 PolarHBondContact OD1-NH2 3.25Å
474	F	95.3	Very high	92.8	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-69.4	-51.8	176.1	177.1	-102.6	0	0	0	112.7	Q470 L471 I472 Y476 T477 C478 M535 A538 D539 T562 I566	Q470-F474 VanDerWaalsContact O-CB 3.32Å; Q470-F474 WeakPolarHBondContact O-CB 3.41Å; Q470-F474 PolarHBondContact O-N 2.87Å; L471-F474 PolarHBondContact O-N 3.29Å; I472-F474 VanDerWaalsContact C-N 3.33Å; I472-F474 PolarHBondContact O-N 3.1Å; F474-Y476 PolarHBondContact O-N 3.49Å; F474-T477 CarbonylContact O-C 3.57Å; F474-T477 WeakPolarHBondContact O-CA 3.22Å; F474-T477 VanDerWaalsContact O-CB 3.26Å; F474-T477 WeakPolarHBondContact O-CB 3.3Å; F474-T477 PolarHBondContact O-N 2.97Å; F474-C478 WeakPolarHBondContact CE1-SG 3.39Å; F474-C478 WeakPolarHBondContact CZ-SG 3.48Å; F474-C478 PolarHBondContact O-N 3.39Å; F474-C478 PolarHBondContact O-SG 3.42Å; F474-C478 VanDerWaalsContact O-SG 3.4Å; F474-M535 HydrophobicContact CB-CE 3.53Å; F474-M535 HydrophobicContact CB-CG 4.28Å; F474-M535 HydrophobicContact CD1-CB 4.42Å; F474-M535 HydrophobicContact CD1-CG 3.69Å; F474-M535 HydrophobicContact CD2-CB 3.92Å; F474-M535 HydrophobicContact CD2-CG 4.09Å; F474-M535 HydrophobicContact CE1-CG 4.04Å; F474-M535 HydrophobicContact CE2-CB 4.24Å; F474-M535 HydrophobicContact CE2-CG 4.43Å; F474-M535 HydrophobicContact CG-CB 4.02Å; F474-M535 HydrophobicContact CG-CE 4.05Å; F474-M535 HydrophobicContact CG-CG 3.72Å; F474-M535 HydrophobicContact CZ-CG 4.4Å; F474-A538 HydrophobicContact CE2-CB 3.57Å; F474-A538 HydrophobicContact CZ-CB 3.71Å; F474-D539 WeakPolarHBondContact CD2-OD1 3.5Å; F474-T562 HydrophobicContact CE1-CG2 3.77Å; F474-T562 HydrophobicContact CZ-CG2 3.48Å; F474-T562 VanDerWaalsContact CZ-CG2 3.48Å; F474-I566 HydrophobicContact CD1-CD1 4.06Å; F474-I566 HydrophobicContact CE1-CD1 3.7Å
475	L	95.5	Very high	92.3	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-33.6	179.8	-70.3	170.4	0	0	0	111.7	L471 C478 S479 L567 L621 L623	L471-L475 WeakPolarHBondContact O-CB 3.35Å; L471-L475 VanDerWaalsContact O-CG 3.24Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å; L471-L475 PolarHBondContact O-N 3.08Å; L475-C478 WeakPolarHBondContact O-CB 3.3Å; L475-C478 PolarHBondContact O-N 3.39Å; L475-S479 PolarHBondContact O-N 2.88Å; L475-S479 PolarHBondContact O-OG 3.27Å; L475-L567 HydrophobicContact CD1-CD2 3.76Å; L475-L567 HydrophobicContact CD1-CG 4.31Å; L475-L567 HydrophobicContact CD2-CD1 4.06Å; L475-L567 HydrophobicContact CD2-CD2 4.21Å; L475-L567 HydrophobicContact CD2-CG 3.82Å; L475-L621 WeakPolarHBondContact CB-O 3.23Å; L475-L621 HydrophobicContact CD2-CB 4.29Å; L475-L623 HydrophobicContact CD1-CD2 3.72Å; L475-L623 HydrophobicContact CD1-CG 3.75Å
476	Y	91.6	Very high	92	Very high	13 Å²	13	18.9 Å²	18.9	5%	0.051	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-46.1	170.7	174.1	-112.3	0	0	0	113.1	I472 D473 F474 S479 N480 R766 Q768 F785 I786 G787	I472-Y476 WeakPolarHBondContact O-CB 3.23Å; I472-Y476 PolarHBondContact O-N 3.42Å; D473-Y476 WeakPolarHBondContact O-CB 3.38Å; F474-Y476 PolarHBondContact O-N 3.49Å; Y476-S479 PolarHBondContact O-N 3.47Å; Y476-N480 WeakPolarHBondContact CD2-ND2 3.2Å; Y476-N480 WeakPolarHBondContact CE2-ND2 3.4Å; Y476-N480 PolarHBondContact O-N 3.36Å; Y476-N480 VanDerWaalsContact O-N 3.12Å; Y476-N480 PolarHBondContact O-ND2 3.16Å; Y476-R766 PolarHBondContact OH-O 3.18Å; Y476-R766 VanDerWaalsContact OH-O 3.09Å; Y476-Q768 HydrophobicContact CE1-CB 4.31Å; Y476-Q768 HydrophobicContact CE1-CG 4.07Å; Y476-F785 HydrophobicContact CE1-CB 3.56Å; Y476-F785 HydrophobicContact CE1-CD2 4.17Å; Y476-F785 HydrophobicContact CE1-CG 4.41Å; Y476-F785 HydrophobicContact CE2-CB 4.39Å; Y476-F785 WeakPolarHBondContact OH-CB 3.3Å; Y476-F785 PolarHBondContact OH-O 2.86Å; Y476-I786 VanDerWaalsContact CE2-O 3.31Å; Y476-I786 WeakPolarHBondContact CE2-O 3.5Å; Y476-I786 WeakPolarHBondContact OH-CA 3.2Å; Y476-I786 PolarHBondContact OH-N 3.44Å; Y476-I786 VanDerWaalsContact OH-N 3.13Å; Y476-G787 VanDerWaalsContact CE2-N 3.32Å
477	T	91.9	Very high	91.4	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.043	10%	0.102	C	C	.	.	H	α-helix	trans	-56.2	-52.2	170.8	-67.3	0	0	0	0	109.9	D473 F474 S479 N480 I481 I542 F543 F785	D473-T477 PolarHBondContact O-N 3.4Å; D473-T477 VanDerWaalsContact O-N 3.09Å; D473-T477 PolarHBondContact O-OG1 2.95Å; F474-T477 CarbonylContact O-C 3.57Å; F474-T477 WeakPolarHBondContact O-CA 3.22Å; F474-T477 VanDerWaalsContact O-CB 3.26Å; F474-T477 WeakPolarHBondContact O-CB 3.3Å; F474-T477 PolarHBondContact O-N 2.97Å; T477-S479 VanDerWaalsContact C-N 3.29Å; T477-S479 PolarHBondContact O-N 3.15Å; T477-N480 PolarHBondContact O-N 2.94Å; T477-N480 VanDerWaalsContact O-N 3.11Å; T477-I481 HydrophobicContact CG2-CG1 4.33Å; T477-I481 WeakPolarHBondContact O-CG1 3.4Å; T477-I481 PolarHBondContact O-N 3.16Å; T477-I542 HydrophobicContact CG2-CD1 4.14Å; T477-I542 HydrophobicContact CG2-CG2 4.05Å; T477-F543 HydrophobicContact CG2-CE1 4.17Å; T477-F543 HydrophobicContact CG2-CE2 4.39Å; T477-F543 HydrophobicContact CG2-CZ 3.67Å; T477-F785 HydrophobicContact CG2-CE2 4.09Å
478	C	93.3	Very high	90.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-53.4	-44.7	179.1	-62.7	0	0	0	0	113	F474 L475 I481 Q482 A559 L621	F474-C478 WeakPolarHBondContact CE1-SG 3.39Å; F474-C478 WeakPolarHBondContact CZ-SG 3.48Å; F474-C478 PolarHBondContact O-N 3.39Å; F474-C478 PolarHBondContact O-SG 3.42Å; F474-C478 VanDerWaalsContact O-SG 3.4Å; L475-C478 WeakPolarHBondContact O-CB 3.3Å; L475-C478 PolarHBondContact O-N 3.39Å; C478-I481 PolarHBondContact O-N 3.42Å; C478-Q482 WeakPolarHBondContact O-CG 3.46Å; C478-Q482 PolarHBondContact O-N 2.93Å; C478-Q482 PolarHBondContact O-NE2 2.9Å; C478-A559 HydrophobicContact CB-CB 4.29Å; C478-A559 PolarHBondContact SG-O 3.08Å; C478-A559 VanDerWaalsContact SG-O 3.34Å; C478-L621 HydrophobicContact CB-CD1 4.13Å; C478-L621 HydrophobicContact CB-CD2 4Å; C478-L621 HydrophobicContact CB-CG 4.48Å
479	S	92.8	Very high	89.4	Confident	12 Å²	12	25.1 Å²	25.1	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-62.9	-43.7	179.6	-62.8	0	0	0	0	112	L475 Y476 T477 Q482 F483 L621	L475-S479 PolarHBondContact O-N 2.88Å; L475-S479 PolarHBondContact O-OG 3.27Å; Y476-S479 PolarHBondContact O-N 3.47Å; T477-S479 VanDerWaalsContact C-N 3.29Å; T477-S479 PolarHBondContact O-N 3.15Å; S479-Q482 WeakPolarHBondContact O-CB 3.26Å; S479-Q482 PolarHBondContact O-N 2.98Å; S479-F483 PolarHBondContact O-N 3.42Å; S479-L621 WeakPolarHBondContact OG-CA 3.44Å; S479-L621 WeakPolarHBondContact OG-CB 3.39Å; S479-L621 PolarHBondContact OG-N 3.49Å; S479-L621 PolarHBondContact OG-O 2.98Å
480	N	92	Very high	88.3	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-72.5	-30	-178.3	-80.2	-86.3	0	0	0	113.1	Y476 T477 Q482 F483 L484 F785 I786	Y476-N480 WeakPolarHBondContact CD2-ND2 3.2Å; Y476-N480 WeakPolarHBondContact CE2-ND2 3.4Å; Y476-N480 PolarHBondContact O-N 3.36Å; Y476-N480 VanDerWaalsContact O-N 3.12Å; Y476-N480 PolarHBondContact O-ND2 3.16Å; T477-N480 PolarHBondContact O-N 2.94Å; T477-N480 VanDerWaalsContact O-N 3.11Å; N480-Q482 VanDerWaalsContact C-N 3.26Å; N480-Q482 PolarHBondContact O-N 3.32Å; N480-F483 WeakPolarHBondContact O-CB 3.4Å; N480-F483 PolarHBondContact O-N 3.19Å; N480-L484 PolarHBondContact O-N 2.94Å; N480-F785 HydrophobicContact CB-CB 3.93Å; N480-F785 HydrophobicContact CB-CD1 3.48Å; N480-F785 VanDerWaalsContact CB-CD1 3.48Å; N480-F785 HydrophobicContact CB-CD2 3.75Å; N480-F785 HydrophobicContact CB-CE1 3.82Å; N480-F785 HydrophobicContact CB-CE2 4.07Å; N480-F785 HydrophobicContact CB-CG 3.44Å; N480-F785 VanDerWaalsContact CB-CG 3.44Å; N480-F785 HydrophobicContact CB-CZ 4.1Å; N480-F785 VanDerWaalsContact CG-CB 3.45Å; N480-F785 WeakPolarHBondContact OD1-CA 3.37Å; N480-I786 PolarHBondContact ND2-O 2.91Å; N480-I786 PolarHBondContact OD1-N 2.91Å; N480-I786 PolarHBondContact OD1-O 3.24Å
481	I	89.7	Confident	86.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-36.3	171.5	-61.4	-53.6	0	0	0	111.3	T477 C478 F483 L484 A485 I542 I546 I552 A556 F785	T477-I481 HydrophobicContact CG2-CG1 4.33Å; T477-I481 WeakPolarHBondContact O-CG1 3.4Å; T477-I481 PolarHBondContact O-N 3.16Å; C478-I481 PolarHBondContact O-N 3.42Å; I481-F483 VanDerWaalsContact C-N 3.29Å; I481-F483 PolarHBondContact O-N 3.18Å; I481-L484 HydrophobicContact CD1-CD1 4.41Å; I481-L484 PolarHBondContact O-N 3.36Å; I481-A485 WeakPolarHBondContact O-CB 3.4Å; I481-A485 PolarHBondContact O-N 2.91Å; I481-I542 HydrophobicContact CD1-CG2 3.66Å; I481-I542 HydrophobicContact CG1-CG2 3.86Å; I481-I546 HydrophobicContact CD1-CD1 3.51Å; I481-I546 HydrophobicContact CD1-CG1 4.11Å; I481-I552 HydrophobicContact CG2-CD1 4.48Å; I481-A556 HydrophobicContact CG2-CB 3.85Å; I481-F785 HydrophobicContact CD1-CZ 3.82Å
482	Q	90.1	Very high	84.7	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-40.8	174.8	-53.1	-49.6	-60.1	0	0	111.7	C478 S479 N480 A485 K486 A556 F615 R618 L621	C478-Q482 WeakPolarHBondContact O-CG 3.46Å; C478-Q482 PolarHBondContact O-N 2.93Å; C478-Q482 PolarHBondContact O-NE2 2.9Å; S479-Q482 WeakPolarHBondContact O-CB 3.26Å; S479-Q482 PolarHBondContact O-N 2.98Å; N480-Q482 VanDerWaalsContact C-N 3.26Å; N480-Q482 PolarHBondContact O-N 3.32Å; Q482-A485 PolarHBondContact O-N 3.09Å; Q482-K486 PolarHBondContact O-N 3.39Å; Q482-A556 PolarHBondContact NE2-O 3.37Å; Q482-F615 HydrophobicContact CB-CD2 4.3Å; Q482-F615 HydrophobicContact CB-CE2 4.15Å; Q482-R618 HydrophobicContact CG-CB 4.1Å; Q482-R618 WeakPolarHBondContact CG-O 3.35Å; Q482-L621 HydrophobicContact CG-CD1 4.31Å
483	F	88.8	Confident	83	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-45.7	178.3	176.8	-94	0	0	0	111.8	S479 N480 I481 A485 K486 Q487 F615 L717 N718 H721	S479-F483 PolarHBondContact O-N 3.42Å; N480-F483 WeakPolarHBondContact O-CB 3.4Å; N480-F483 PolarHBondContact O-N 3.19Å; I481-F483 VanDerWaalsContact C-N 3.29Å; I481-F483 PolarHBondContact O-N 3.18Å; F483-A485 VanDerWaalsContact C-N 3.33Å; F483-A485 PolarHBondContact O-N 2.85Å; F483-K486 WeakPolarHBondContact O-CB 3.22Å; F483-K486 PolarHBondContact O-N 2.92Å; F483-Q487 HydrophobicContact CD1-CG 4.42Å; F483-Q487 VanDerWaalsContact CE1-CD 3.43Å; F483-Q487 HydrophobicContact CE1-CG 3.95Å; F483-Q487 HydrophobicContact CZ-CG 4.09Å; F483-Q487 PolarHBondContact O-N 3.13Å; F483-F615 HydrophobicContact CB-CE2 4.17Å; F483-F615 HydrophobicContact CB-CZ 4.28Å; F483-F615 AromaticContact CD2-CZ 3.99Å; F483-F615 HydrophobicContact CD2-CZ 3.99Å; F483-L717 HydrophobicContact CB-CD2 4.31Å; F483-L717 HydrophobicContact CD2-CD2 4.21Å; F483-L717 HydrophobicContact CD2-CG 4.11Å; F483-N718 WeakPolarHBondContact CE2-OD1 3.46Å; F483-H721 AromaticContact CD1-CD2 3.7Å; F483-H721 AromaticContact CD1-CE1 3.6Å; F483-H721 AromaticContact CD1-NE2 3.33Å; F483-H721 VanDerWaalsContact CD1-NE2 3.33Å; F483-H721 WeakPolarHBondContact CD1-NE2 3.02Å; F483-H721 AromaticContact CD2-CD2 3.72Å; F483-H721 AromaticContact CD2-NE2 3.95Å; F483-H721 HydrophobicContact CE1-CB 4.09Å; F483-H721 AromaticContact CE1-CD2 3.32Å; F483-H721 WeakPolarHBondContact CE1-CD2 3Å; F483-H721 AromaticContact CE1-CE1 3.43Å; F483-H721 VanDerWaalsContact CE1-CE1 3.43Å; F483-H721 WeakPolarHBondContact CE1-CE1 3.5Å; F483-H721 AromaticContact CE1-CG 3.37Å; F483-H721 AromaticContact CE1-ND1 3.44Å; F483-H721 WeakPolarHBondContact CE1-ND1 3.07Å; F483-H721 AromaticContact CE1-NE2 3.37Å; F483-H721 WeakPolarHBondContact CE1-NE2 3.46Å; F483-H721 HydrophobicContact CE2-CB 4.22Å; F483-H721 AromaticContact CE2-CD2 3.34Å; F483-H721 WeakPolarHBondContact CE2-CD2 3.22Å; F483-H721 AromaticContact CE2-CG 3.88Å; F483-H721 AromaticContact CE2-NE2 3.99Å; F483-H721 AromaticContact CG-CD2 3.88Å; F483-H721 AromaticContact CG-NE2 3.62Å; F483-H721 HydrophobicContact CZ-CB 3.51Å; F483-H721 AromaticContact CZ-CD2 3.12Å; F483-H721 WeakPolarHBondContact CZ-CD2 3.32Å; F483-H721 AromaticContact CZ-CG 3.2Å; F483-H721 AromaticContact CZ-ND1 3.8Å; F483-H721 AromaticContact CZ-NE2 3.71Å
484	L	86.4	Confident	81	Confident	20 Å²	20	50.5 Å²	50.5	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-40.4	176.1	-70	-174.9	0	0	0	112.2	N480 I481 Q487 S488 I552 I782 F785	N480-L484 PolarHBondContact O-N 2.94Å; I481-L484 HydrophobicContact CD1-CD1 4.41Å; I481-L484 PolarHBondContact O-N 3.36Å; L484-Q487 PolarHBondContact O-N 2.96Å; L484-S488 PolarHBondContact O-N 3.38Å; L484-I552 HydrophobicContact CB-CD1 3.58Å; L484-I552 HydrophobicContact CD1-CD1 4.5Å; L484-I782 HydrophobicContact CD1-CG2 4.24Å; L484-F785 HydrophobicContact CD1-CE1 3.79Å
485	A	85.5	Confident	79.3	Confident	4 Å²	4	52 Å²	52	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-44.5	176.9	0	0	0	0	0	111.5	I481 Q482 F483 Q487 S488 L489 I552 A556	I481-A485 WeakPolarHBondContact O-CB 3.4Å; I481-A485 PolarHBondContact O-N 2.91Å; Q482-A485 PolarHBondContact O-N 3.09Å; F483-A485 VanDerWaalsContact C-N 3.33Å; F483-A485 PolarHBondContact O-N 2.85Å; A485-Q487 VanDerWaalsContact C-N 3.34Å; A485-Q487 PolarHBondContact O-N 3.25Å; A485-S488 PolarHBondContact O-N 3.45Å; A485-S488 VanDerWaalsContact O-N 3.16Å; A485-S488 PolarHBondContact O-OG 3.26Å; A485-L489 WeakPolarHBondContact O-CG 3.46Å; A485-L489 PolarHBondContact O-N 2.9Å; A485-L489 VanDerWaalsContact O-N 3.1Å; A485-I552 HydrophobicContact CB-CD1 4.47Å; A485-I552 HydrophobicContact CB-CG1 4.06Å; A485-A556 HydrophobicContact CB-CB 3.62Å
486	K	85.1	Confident	77.5	Confident	62 Å²	62	59.3 Å²	59.3	27%	0.27	28%	0.283	S	S	.	.	H	α-helix	trans	-56.8	-45.9	172.9	178.1	-174.4	174.4	-170.1	0	111.9	Q482 F483 S488 L489 S490 F615 N718	Q482-K486 PolarHBondContact O-N 3.39Å; F483-K486 WeakPolarHBondContact O-CB 3.22Å; F483-K486 PolarHBondContact O-N 2.92Å; K486-S488 VanDerWaalsContact C-N 3.33Å; K486-S488 PolarHBondContact O-N 3.17Å; K486-L489 PolarHBondContact O-N 3.49Å; K486-S490 PolarHBondContact O-N 3.4Å; K486-F615 HydrophobicContact CB-CD2 4.07Å; K486-F615 HydrophobicContact CB-CE2 4.34Å; K486-F615 HydrophobicContact CD-CB 4.27Å; K486-F615 HydrophobicContact CD-CD1 3.59Å; K486-F615 HydrophobicContact CD-CD2 3.86Å; K486-F615 HydrophobicContact CD-CE1 3.78Å; K486-F615 HydrophobicContact CD-CE2 4.08Å; K486-F615 HydrophobicContact CD-CG 3.61Å; K486-F615 HydrophobicContact CD-CZ 4.03Å; K486-N718 PolarHBondContact NZ-ND2 3.5Å; K486-N718 PolarHBondContact NZ-OD1 3.38Å
487	Q	81.2	Confident	76	Confident	80 Å²	80	64.1 Å²	64.1	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-42.2	176.4	-71.8	-164.1	-13.6	0	0	112.1	F483 L484 A485 L489 S490 N491	F483-Q487 HydrophobicContact CD1-CG 4.42Å; F483-Q487 VanDerWaalsContact CE1-CD 3.43Å; F483-Q487 HydrophobicContact CE1-CG 3.95Å; F483-Q487 HydrophobicContact CZ-CG 4.09Å; F483-Q487 PolarHBondContact O-N 3.13Å; L484-Q487 PolarHBondContact O-N 2.96Å; A485-Q487 VanDerWaalsContact C-N 3.34Å; A485-Q487 PolarHBondContact O-N 3.25Å; Q487-L489 VanDerWaalsContact C-N 3.28Å; Q487-L489 PolarHBondContact O-N 3.44Å; Q487-S490 PolarHBondContact O-N 3Å; Q487-S490 VanDerWaalsContact O-N 3.17Å; Q487-S490 PolarHBondContact O-OG 3.4Å; Q487-N491 PolarHBondContact O-N 3.13Å
488	S	77.2	Confident	74.4	Confident	16 Å²	16	64.4 Å²	64.4	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-34.6	179	76.5	0	0	0	0	112.9	L484 A485 K486 N491	L484-S488 PolarHBondContact O-N 3.38Å; A485-S488 PolarHBondContact O-N 3.45Å; A485-S488 VanDerWaalsContact O-N 3.16Å; A485-S488 PolarHBondContact O-OG 3.26Å; K486-S488 VanDerWaalsContact C-N 3.33Å; K486-S488 PolarHBondContact O-N 3.17Å; S488-N491 PolarHBondContact O-N 2.83Å
489	L	73.9	Confident	72.8	Confident	68 Å²	68	71.8 Å²	71.8	36%	0.356	34%	0.342	S	S	.	.	H	α-helix	trans	-69.6	-32.3	176.7	-69.2	168	0	0	0	112.8	A485 K486 Q487 N491	A485-L489 WeakPolarHBondContact O-CG 3.46Å; A485-L489 PolarHBondContact O-N 2.9Å; A485-L489 VanDerWaalsContact O-N 3.1Å; K486-L489 PolarHBondContact O-N 3.49Å; Q487-L489 VanDerWaalsContact C-N 3.28Å; Q487-L489 PolarHBondContact O-N 3.44Å; L489-N491 VanDerWaalsContact C-N 3.26Å; L489-N491 PolarHBondContact O-N 3.08Å
490	S	68.3	Low	71.2	Confident	77 Å²	77	78.1 Å²	78.1	54%	0.538	38%	0.375	S	S	.	.	H	α-helix	trans	-70.8	-22.5	177	71.4	0	0	0	0	113.3	K486 Q487 K492	K486-S490 PolarHBondContact O-N 3.4Å; Q487-S490 PolarHBondContact O-N 3Å; Q487-S490 VanDerWaalsContact O-N 3.17Å; Q487-S490 PolarHBondContact O-OG 3.4Å; S490-K492 PolarHBondContact O-N 3.03Å
491	N	63.8	Low	69.8	Low	88 Å²	88	79.9 Å²	79.9	47%	0.471	39%	0.387	S	S	.	.	S	Bend	trans	-80.2	105	175.4	-73.2	-23.8	0	0	0	109.7	Q487 S488 L489 Q493	Q487-N491 PolarHBondContact O-N 3.13Å; S488-N491 PolarHBondContact O-N 2.83Å; L489-N491 VanDerWaalsContact C-N 3.26Å; L489-N491 PolarHBondContact O-N 3.08Å; N491-Q493 PolarHBondContact O-N 2.91Å
492	K	53.5	Low	69.2	Low	212 Å²	212	85.7 Å²	85.7	92%	0.922	42%	0.418	S	S	*	.			trans	-63.7	12.4	-177.7	-64.1	-177.9	177.4	178.7	0	116.1	S490	S490-K492 PolarHBondContact O-N 3.03Å
493	Q	56.1	Low	69	Low	136 Å²	136	85.9 Å²	85.9	64%	0.636	42%	0.419	S	S	*	.	S	Bend	trans	-79.8	137.2	175.3	-70.3	-179.9	-22.3	0	0	108.8	N491 L495	N491-Q493 PolarHBondContact O-N 2.91Å; Q493-L495 HydrophobicContact CB-CD2 3.95Å; Q493-L495 PolarHBondContact O-N 2.94Å
494	Y	49.5	Very low	68.8	Low	246 Å²	246	93.1 Å²	93.1	97%	0.965	45%	0.45	S	S	*	.			trans	-66	98.3	171.9	-134.5	-91.6	0	0	0	107.2
495	L	59.1	Low	69	Low	32 Å²	32	96.5 Å²	96.5	17%	0.168	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-93.8	132.9	177.2	-57.3	-175.3	0	0	0	108.6	Q493 N549 R551	Q493-L495 HydrophobicContact CB-CD2 3.95Å; Q493-L495 PolarHBondContact O-N 2.94Å; L495-N549 HydrophobicContact CD2-CB 4.5Å; L495-N549 WeakPolarHBondContact CD2-O 3.42Å; L495-R551 HydrophobicContact CB-CB 3.99Å
496	E	57.2	Low	69.3	Low	157 Å²	157	98.2 Å²	98.2	73%	0.734	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-61.1	137.7	171.5	-70.4	176.6	171.2	0	0	110.1	R551	E496-R551 PolarHBondContact O-N 3.23Å
497	E	60.7	Low	69.6	Low	113 Å²	113	96 Å²	96	53%	0.528	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-71.9	142.7	173.5	-80.1	174.8	-175.5	0	0	110.8	E499 R551	E497-E499 PolarHBondContact O-N 3.19Å; E497-R551 HydrophobicContact CG-CB 4.43Å; E497-R551 HydrophobicContact CG-CG 4.4Å; E497-R551 IonicContact OE1-CZ 3.33Å; E497-R551 IonicContact OE1-NE 3.97Å; E497-R551 IonicContact OE1-NH1 3.4Å; E497-R551 PolarHBondContact OE1-NH1 3.07Å
498	T	58.8	Low	70.1	Confident	14 Å²	14	94.3 Å²	94.3	9%	0.086	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-63.7	130.9	167.2	51	0	0	0	0	110	D500 N554 L555	T498-D500 PolarHBondContact O-N 3.25Å; T498-N554 PolarHBondContact O-ND2 3.04Å; T498-L555 HydrophobicContact CG2-CD1 4.25Å
499	E	59.3	Low	70.9	Confident	155 Å²	155	97 Å²	97	72%	0.724	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-46.1	134.3	179.3	-69.7	-179.6	165.8	0	0	113.3	E497 R545	E497-E499 PolarHBondContact O-N 3.19Å; E499-R545 PolarHBondContact O-NH1 2.76Å
500	D	58.6	Low	72	Confident	145 Å²	145	94 Å²	94	78%	0.775	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-54.3	141.5	168.3	-89.5	-21.4	0	0	0	110.5	T498	T498-D500 PolarHBondContact O-N 3.25Å
501	S	63.2	Low	73.3	Confident	39 Å²	39	91 Å²	91	27%	0.273	44%	0.437	S	S	.	.			trans	-134.8	164.5	-175.5	84.2	0	0	0	0	112.7	F503 R541	S501-F503 PolarHBondContact O-N 2.98Å; S501-F503 VanDerWaalsContact O-N 3.08Å; S501-F503 VanDerWaalsContact OG-CB 3.25Å; S501-F503 WeakPolarHBondContact OG-CB 3.4Å; S501-F503 PolarHBondContact OG-N 3.02Å; S501-F503 VanDerWaalsContact OG-N 3.09Å; S501-R541 PolarHBondContact OG-NH1 3.33Å; S501-R541 PolarHBondContact OG-NH2 3.28Å
502	D	76.2	Confident	74.9	Confident	122 Å²	122	90.1 Å²	90.1	65%	0.652	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	1.2	172.5	-160.7	34.2	0	0	0	114.8	K504 Q505 T506	D502-K504 VanDerWaalsContact C-N 3.26Å; D502-K504 PolarHBondContact O-N 2.65Å; D502-Q505 WeakPolarHBondContact O-CB 3.16Å; D502-Q505 PolarHBondContact O-N 3.33Å; D502-Q505 VanDerWaalsContact OD1-CB 3.23Å; D502-Q505 WeakPolarHBondContact OD1-CB 3.08Å; D502-T506 PolarHBondContact O-N 3.5Å; D502-T506 PolarHBondContact O-OG1 3.38Å
503	F	86.7	Confident	77	Confident	12 Å²	12	85.5 Å²	85.5	5%	0.053	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-33.5	-176.9	-173.3	-97.5	0	0	0	113.2	S501 Q505 T506 L507 L534 E537 A538 D558 T562	S501-F503 PolarHBondContact O-N 2.98Å; S501-F503 VanDerWaalsContact O-N 3.08Å; S501-F503 VanDerWaalsContact OG-CB 3.25Å; S501-F503 WeakPolarHBondContact OG-CB 3.4Å; S501-F503 PolarHBondContact OG-N 3.02Å; S501-F503 VanDerWaalsContact OG-N 3.09Å; F503-Q505 VanDerWaalsContact C-N 3.28Å; F503-Q505 PolarHBondContact O-N 3.24Å; F503-T506 VanDerWaalsContact O-CB 3.31Å; F503-T506 WeakPolarHBondContact O-CB 3.47Å; F503-T506 PolarHBondContact O-N 2.87Å; F503-T506 VanDerWaalsContact O-N 3.12Å; F503-L507 PolarHBondContact O-N 3.37Å; F503-L534 HydrophobicContact CZ-CD1 4.12Å; F503-E537 HydrophobicContact CE2-CB 4.25Å; F503-A538 HydrophobicContact CE2-CB 4.08Å; F503-A538 HydrophobicContact CZ-CB 3.74Å; F503-D558 HydrophobicContact CD1-CB 3.64Å; F503-D558 HydrophobicContact CE1-CB 3.84Å; F503-T562 WeakPolarHBondContact CE1-OG1 3.41Å; F503-T562 WeakPolarHBondContact CZ-OG1 3.25Å
504	K	85.6	Confident	79	Confident	158 Å²	158	79 Å²	79	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-58.8	-41.3	173.7	-175.6	175.3	-179.6	175.8	0	111.6	D502 L507 V508	D502-K504 VanDerWaalsContact C-N 3.26Å; D502-K504 PolarHBondContact O-N 2.65Å; K504-L507 PolarHBondContact O-N 3.46Å; K504-V508 WeakPolarHBondContact O-CG2 3.43Å; K504-V508 PolarHBondContact O-N 3.4Å; K504-V508 VanDerWaalsContact O-N 3.14Å
505	Q	88.9	Confident	81.4	Confident	90 Å²	90	68.3 Å²	68.3	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-67.6	-40.3	175.5	-170.8	58.3	49.6	0	0	110.9	D502 F503 L507 V508 D509	D502-Q505 WeakPolarHBondContact O-CB 3.16Å; D502-Q505 PolarHBondContact O-N 3.33Å; D502-Q505 VanDerWaalsContact OD1-CB 3.23Å; D502-Q505 WeakPolarHBondContact OD1-CB 3.08Å; F503-Q505 VanDerWaalsContact C-N 3.28Å; F503-Q505 PolarHBondContact O-N 3.24Å; Q505-L507 VanDerWaalsContact C-N 3.31Å; Q505-L507 PolarHBondContact O-N 3.05Å; Q505-V508 PolarHBondContact O-N 2.96Å; Q505-V508 VanDerWaalsContact O-N 3.17Å; Q505-D509 PolarHBondContact NE2-OD1 3.49Å; Q505-D509 WeakPolarHBondContact O-CB 3.36Å; Q505-D509 PolarHBondContact O-N 2.77Å
506	T	91.9	Very high	83.2	Confident	41 Å²	41	71.5 Å²	71.5	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-56.4	-44.5	174.8	-57.7	0	0	0	0	111.9	D502 F503 D509 I510	D502-T506 PolarHBondContact O-N 3.5Å; D502-T506 PolarHBondContact O-OG1 3.38Å; F503-T506 VanDerWaalsContact O-CB 3.31Å; F503-T506 WeakPolarHBondContact O-CB 3.47Å; F503-T506 PolarHBondContact O-N 2.87Å; F503-T506 VanDerWaalsContact O-N 3.12Å; T506-D509 PolarHBondContact O-N 2.99Å; T506-I510 WeakPolarHBondContact O-CG1 3.47Å; T506-I510 PolarHBondContact O-N 3.21Å
507	L	92.5	Very high	85.2	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-46.9	176.1	176.6	60.2	0	0	0	111.6	F503 K504 Q505 D509 I510 Q511 L534 A561 F565	F503-L507 PolarHBondContact O-N 3.37Å; K504-L507 PolarHBondContact O-N 3.46Å; Q505-L507 VanDerWaalsContact C-N 3.31Å; Q505-L507 PolarHBondContact O-N 3.05Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-D509 PolarHBondContact O-N 3.39Å; L507-I510 PolarHBondContact O-N 2.91Å; L507-Q511 HydrophobicContact CD1-CG 4.37Å; L507-Q511 VanDerWaalsContact O-CG 3.3Å; L507-Q511 WeakPolarHBondContact O-CG 3.23Å; L507-Q511 PolarHBondContact O-N 2.87Å; L507-L534 HydrophobicContact CD1-CD1 4.08Å; L507-L534 HydrophobicContact CD1-CD2 3.78Å; L507-A561 HydrophobicContact CD2-CB 3.74Å; L507-F565 HydrophobicContact CD1-CB 4.39Å; L507-F565 HydrophobicContact CD1-CD1 4.09Å; L507-F565 HydrophobicContact CD1-CG 4.34Å
508	V	91.5	Very high	87	Confident	46 Å²	46	59.2 Å²	59.2	28%	0.279	30%	0.299	S	S	.	.	H	α-helix	trans	-59.3	-45.2	177.8	169.7	0	0	0	0	111	K504 Q505 I510 Q511 H512	K504-V508 WeakPolarHBondContact O-CG2 3.43Å; K504-V508 PolarHBondContact O-N 3.4Å; K504-V508 VanDerWaalsContact O-N 3.14Å; Q505-V508 PolarHBondContact O-N 2.96Å; Q505-V508 VanDerWaalsContact O-N 3.17Å; V508-I510 VanDerWaalsContact C-N 3.32Å; V508-I510 PolarHBondContact O-N 3.49Å; V508-Q511 WeakPolarHBondContact O-CB 3.49Å; V508-Q511 PolarHBondContact O-N 2.72Å; V508-Q511 VanDerWaalsContact O-N 3.15Å; V508-H512 PolarHBondContact O-CD2 3.39Å; V508-H512 VanDerWaalsContact O-CD2 3.24Å; V508-H512 PolarHBondContact O-N 3.21Å
509	D	94.2	Very high	88.9	Confident	72 Å²	72	59 Å²	59	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-41	178.3	-68.9	-9.2	0	0	0	111.7	Q505 T506 L507 H512 K513	Q505-D509 PolarHBondContact NE2-OD1 3.49Å; Q505-D509 WeakPolarHBondContact O-CB 3.36Å; Q505-D509 PolarHBondContact O-N 2.77Å; T506-D509 PolarHBondContact O-N 2.99Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-D509 PolarHBondContact O-N 3.39Å; D509-H512 PolarHBondContact O-N 2.96Å; D509-K513 WeakPolarHBondContact O-CG 3.35Å; D509-K513 PolarHBondContact O-N 3.47Å
510	I	96.9	Very high	90.8	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-41.2	174.8	-69.2	-71.2	0	0	0	111.1	T506 L507 V508 H512 K513 V514 C530 V533 L534 F565	T506-I510 WeakPolarHBondContact O-CG1 3.47Å; T506-I510 PolarHBondContact O-N 3.21Å; L507-I510 PolarHBondContact O-N 2.91Å; V508-I510 VanDerWaalsContact C-N 3.32Å; V508-I510 PolarHBondContact O-N 3.49Å; I510-H512 VanDerWaalsContact C-N 3.29Å; I510-H512 PolarHBondContact O-N 3.07Å; I510-K513 HydrophobicContact CD1-CD 4.28Å; I510-K513 PolarHBondContact O-N 2.91Å; I510-V514 HydrophobicContact CG2-CG2 4.35Å; I510-V514 WeakPolarHBondContact O-CG2 3.43Å; I510-V514 PolarHBondContact O-N 3.45Å; I510-C530 HydrophobicContact CD1-CB 4.45Å; I510-C530 HydrophobicContact CG2-CB 4.21Å; I510-V533 HydrophobicContact CD1-CG1 4.31Å; I510-L534 HydrophobicContact CG1-CB 4.36Å; I510-L534 HydrophobicContact CG1-CD1 4.39Å; I510-L534 HydrophobicContact CG2-CB 4.15Å; I510-L534 HydrophobicContact CG2-CD2 3.95Å; I510-F565 HydrophobicContact CG2-CE1 4.15Å
511	Q	95.8	Very high	92.6	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-42.8	176.2	-70.8	173.8	-22.7	0	0	111.4	L507 V508 V514 Y515 F565 P588	L507-Q511 HydrophobicContact CD1-CG 4.37Å; L507-Q511 VanDerWaalsContact O-CG 3.3Å; L507-Q511 WeakPolarHBondContact O-CG 3.23Å; L507-Q511 PolarHBondContact O-N 2.87Å; V508-Q511 WeakPolarHBondContact O-CB 3.49Å; V508-Q511 PolarHBondContact O-N 2.72Å; V508-Q511 VanDerWaalsContact O-N 3.15Å; Q511-V514 PolarHBondContact O-N 3.43Å; Q511-Y515 PolarHBondContact O-N 3.02Å; Q511-F565 HydrophobicContact CB-CE2 4.32Å; Q511-F565 HydrophobicContact CB-CZ 4.43Å; Q511-F565 HydrophobicContact CG-CD2 3.82Å; Q511-F565 HydrophobicContact CG-CE1 4.31Å; Q511-F565 HydrophobicContact CG-CE2 3.58Å; Q511-F565 HydrophobicContact CG-CG 4.29Å; Q511-F565 HydrophobicContact CG-CZ 3.84Å; Q511-P588 HydrophobicContact CB-CB 3.85Å; Q511-P588 HydrophobicContact CB-CG 4.15Å
512	H	96.2	Very high	94.3	Very high	70 Å²	70	45.9 Å²	45.9	32%	0.324	23%	0.23	S	C	.	.	H	α-helix	trans	-66.1	-42.1	175.1	-78.2	-72.2	0	0	0	112.6	V508 D509 I510 V514 Y515 D516	V508-H512 PolarHBondContact O-CD2 3.39Å; V508-H512 VanDerWaalsContact O-CD2 3.24Å; V508-H512 PolarHBondContact O-N 3.21Å; D509-H512 PolarHBondContact O-N 2.96Å; I510-H512 VanDerWaalsContact C-N 3.29Å; I510-H512 PolarHBondContact O-N 3.07Å; H512-V514 VanDerWaalsContact C-N 3.3Å; H512-V514 PolarHBondContact O-N 3.12Å; H512-Y515 WeakPolarHBondContact O-CB 3.45Å; H512-Y515 PolarHBondContact O-N 3.23Å; H512-Y515 VanDerWaalsContact O-N 3.16Å; H512-D516 VanDerWaalsContact O-CG 3.3Å; H512-D516 PolarHBondContact O-N 3.26Å
513	K	98.4	Very high	95.3	Very high	115 Å²	115	42.1 Å²	42.1	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-39.5	174	-72.8	169.4	-177.7	171.5	0	112.6	D509 I510 D516 A517	D509-K513 WeakPolarHBondContact O-CG 3.35Å; D509-K513 PolarHBondContact O-N 3.47Å; I510-K513 HydrophobicContact CD1-CD 4.28Å; I510-K513 PolarHBondContact O-N 2.91Å; K513-D516 PolarHBondContact O-N 2.88Å; K513-A517 WeakPolarHBondContact O-CB 3.48Å; K513-A517 PolarHBondContact O-N 2.98Å
514	V	98.5	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-44.1	174.6	165.8	0	0	0	0	110.9	I510 Q511 H512 D516 A517 L518 V527 C530 F565 L569	I510-V514 HydrophobicContact CG2-CG2 4.35Å; I510-V514 WeakPolarHBondContact O-CG2 3.43Å; I510-V514 PolarHBondContact O-N 3.45Å; Q511-V514 PolarHBondContact O-N 3.43Å; H512-V514 VanDerWaalsContact C-N 3.3Å; H512-V514 PolarHBondContact O-N 3.12Å; V514-D516 VanDerWaalsContact C-N 3.33Å; V514-D516 PolarHBondContact O-N 3.36Å; V514-A517 PolarHBondContact O-N 2.99Å; V514-L518 HydrophobicContact CG1-CD1 4.2Å; V514-L518 WeakPolarHBondContact O-CG 3.21Å; V514-L518 PolarHBondContact O-N 2.77Å; V514-V527 HydrophobicContact CG1-CG1 3.97Å; V514-V527 HydrophobicContact CG1-CG2 4.11Å; V514-V527 HydrophobicContact CG2-CG1 4.13Å; V514-C530 HydrophobicContact CG2-CB 3.86Å; V514-F565 HydrophobicContact CB-CZ 4.2Å; V514-F565 HydrophobicContact CG1-CZ 4.28Å; V514-F565 HydrophobicContact CG2-CE1 4.49Å; V514-F565 HydrophobicContact CG2-CZ 4.01Å; V514-L569 HydrophobicContact CG1-CD1 4.16Å; V514-L569 HydrophobicContact CG1-CD2 3.84Å; V514-L569 HydrophobicContact CG2-CD2 4.47Å
515	Y	98.4	Very high	96.5	Very high	22 Å²	22	40.3 Å²	40.3	9%	0.086	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-44.4	174.8	175	-88	0	0	0	111.9	Y108 F109 Q511 H512 L518 C519 V587 P588 A591 T592	Y108-Y515 AromaticContact CE1-CD2 3.87Å; Y108-Y515 HydrophobicContact CE1-CD2 3.87Å; Y108-Y515 WeakPolarHBondContact OH-CA 3.46Å; Y108-Y515 WeakPolarHBondContact OH-CB 3.25Å; F109-Y515 HydrophobicContact CE1-CD2 4.3Å; F109-Y515 AromaticContact CE1-CE2 3.82Å; F109-Y515 HydrophobicContact CE1-CE2 3.82Å; Q511-Y515 PolarHBondContact O-N 3.02Å; H512-Y515 WeakPolarHBondContact O-CB 3.45Å; H512-Y515 PolarHBondContact O-N 3.23Å; H512-Y515 VanDerWaalsContact O-N 3.16Å; Y515-L518 PolarHBondContact O-N 2.79Å; Y515-C519 WeakPolarHBondContact CE1-SG 3.44Å; Y515-C519 VanDerWaalsContact CZ-SG 3.53Å; Y515-C519 WeakPolarHBondContact O-CB 3.22Å; Y515-C519 PolarHBondContact O-N 3.25Å; Y515-C519 PolarHBondContact O-SG 3.24Å; Y515-V587 HydrophobicContact CD2-CG1 4.38Å; Y515-P588 HydrophobicContact CG-CG 4.4Å; Y515-A591 HydrophobicContact CD2-CB 3.75Å; Y515-A591 HydrophobicContact CE2-CB 3.62Å; Y515-A591 HydrophobicContact CG-CB 4.27Å; Y515-T592 WeakPolarHBondContact CE2-O 3.42Å; Y515-T592 PolarHBondContact OH-N 3.2Å; Y515-T592 PolarHBondContact OH-O 3.46Å
516	D	98.5	Very high	96.9	Very high	98 Å²	98	37.9 Å²	37.9	52%	0.524	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-42.8	178.6	-68.1	-21	0	0	0	111.6	H512 K513 V514 L518 C519 D520	H512-D516 VanDerWaalsContact O-CG 3.3Å; H512-D516 PolarHBondContact O-N 3.26Å; K513-D516 PolarHBondContact O-N 2.88Å; V514-D516 VanDerWaalsContact C-N 3.33Å; V514-D516 PolarHBondContact O-N 3.36Å; D516-L518 PolarHBondContact O-N 3.26Å; D516-C519 CarbonylContact O-C 3.57Å; D516-C519 WeakPolarHBondContact O-CB 3.33Å; D516-C519 PolarHBondContact O-N 3.33Å; D516-D520 WeakPolarHBondContact O-CB 3.29Å; D516-D520 PolarHBondContact O-N 2.91Å
517	A	98.6	Very high	97.3	Very high	12 Å²	12	35.9 Å²	35.9	10%	0.099	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-38.8	175.7	0	0	0	0	0	112.6	K513 V514 D520 D523 V527	K513-A517 WeakPolarHBondContact O-CB 3.48Å; K513-A517 PolarHBondContact O-N 2.98Å; V514-A517 PolarHBondContact O-N 2.99Å; A517-D520 CarbonylContact O-C 3.45Å; A517-D520 PolarHBondContact O-N 3.25Å; A517-D523 WeakPolarHBondContact O-CB 3.33Å; A517-D523 PolarHBondContact O-N 3.41Å; A517-V527 HydrophobicContact CB-CG2 3.77Å
518	L	98.6	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.8	-35.8	175.1	-71.4	177.8	0	0	0	112.4	L53 V104 Y108 F109 V514 Y515 D516 D520 C522 V527 L569 F573	L53-L518 VanDerWaalsContact CD1-O 3.3Å; L53-L518 WeakPolarHBondContact CD1-O 3.41Å; V104-L518 HydrophobicContact CG1-CD2 4.18Å; V104-L518 HydrophobicContact CG2-CD2 4.06Å; Y108-L518 HydrophobicContact CD1-CD1 3.77Å; Y108-L518 HydrophobicContact CD2-CD1 3.82Å; Y108-L518 HydrophobicContact CE1-CB 4.38Å; Y108-L518 HydrophobicContact CE1-CD1 3.64Å; Y108-L518 HydrophobicContact CE2-CD1 3.7Å; Y108-L518 HydrophobicContact CG-CD1 3.86Å; F109-L518 HydrophobicContact CE2-CB 4.05Å; F109-L518 HydrophobicContact CZ-CB 3.9Å; V514-L518 HydrophobicContact CG1-CD1 4.2Å; V514-L518 WeakPolarHBondContact O-CG 3.21Å; V514-L518 PolarHBondContact O-N 2.77Å; Y515-L518 PolarHBondContact O-N 2.79Å; D516-L518 PolarHBondContact O-N 3.26Å; L518-D520 PolarHBondContact O-N 3.08Å; L518-C522 WeakPolarHBondContact O-CA 3.35Å; L518-C522 PolarHBondContact O-N 3.41Å; L518-C522 VanDerWaalsContact O-N 3.1Å; L518-V527 HydrophobicContact CD2-CG2 3.99Å; L518-V527 HydrophobicContact CG-CG2 3.91Å; L518-L569 HydrophobicContact CD1-CD1 4.32Å; L518-F573 HydrophobicContact CD2-CE1 4.05Å; L518-F573 HydrophobicContact CD2-CZ 4Å
519	C	98.5	Very high	97.9	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-28.7	169.5	-72.4	0	0	0	0	111.9	Y54 Y515 D516 S521	Y54-C519 PolarHBondContact N-O 3.1Å; Y515-C519 WeakPolarHBondContact CE1-SG 3.44Å; Y515-C519 VanDerWaalsContact CZ-SG 3.53Å; Y515-C519 WeakPolarHBondContact O-CB 3.22Å; Y515-C519 PolarHBondContact O-N 3.25Å; Y515-C519 PolarHBondContact O-SG 3.24Å; D516-C519 CarbonylContact O-C 3.57Å; D516-C519 WeakPolarHBondContact O-CB 3.33Å; D516-C519 PolarHBondContact O-N 3.33Å; C519-S521 VanDerWaalsContact C-N 3.32Å; C519-S521 PolarHBondContact O-N 2.81Å; C519-S521 VanDerWaalsContact O-N 3.11Å
520	D	98.3	Very high	98.1	Very high	61 Å²	61	33.2 Å²	33.2	33%	0.326	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-86.6	64.8	178.5	-169	29	0	0	0	112.9	K63 D516 A517 L518 C522	K63-D520 WeakPolarHBondContact CD-OD1 3.44Å; K63-D520 VanDerWaalsContact CE-OD1 3.3Å; K63-D520 WeakPolarHBondContact CE-OD1 3.39Å; K63-D520 IonicContact NZ-OD1 3.71Å; K63-D520 PolarHBondContact NZ-OD1 3.43Å; K63-D520 IonicContact NZ-OD2 2.96Å; K63-D520 PolarHBondContact NZ-OD2 3.46Å; D516-D520 WeakPolarHBondContact O-CB 3.29Å; D516-D520 PolarHBondContact O-N 2.91Å; A517-D520 CarbonylContact O-C 3.45Å; A517-D520 PolarHBondContact O-N 3.25Å; L518-D520 PolarHBondContact O-N 3.08Å; D520-C522 PolarHBondContact O-N 3.33Å
521	S	97.6	Very high	98.2	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	39.6	177.2	-172.5	0	0	0	0	114.1	Y54 Y56 W450 C519 D523	Y54-S521 WeakPolarHBondContact O-CA 3.38Å; Y54-S521 PolarHBondContact O-N 3.11Å; Y56-S521 PolarHBondContact N-OG 3.1Å; W450-S521 PolarHBondContact NE1-O 2.99Å; C519-S521 VanDerWaalsContact C-N 3.32Å; C519-S521 PolarHBondContact O-N 2.81Å; C519-S521 VanDerWaalsContact O-N 3.11Å; S521-D523 PolarHBondContact O-N 3.42Å
522	C	98.1	Very high	98.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	17%	0.172	C	C	.	.			trans	54.2	49	178.7	-58.7	0	0	0	0	111.8	I101 L518 D520 T524	I101-C522 HydrophobicContact CG1-CB 4.13Å; L518-C522 WeakPolarHBondContact O-CA 3.35Å; L518-C522 PolarHBondContact O-N 3.41Å; L518-C522 VanDerWaalsContact O-N 3.1Å; D520-C522 PolarHBondContact O-N 3.33Å; C522-T524 VanDerWaalsContact C-N 3.27Å; C522-T524 PolarHBondContact O-N 2.83Å
523	D	98.4	Very high	98.3	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	18%	0.179	C	C	.	.			trans	-72.8	79.5	-178	-174.8	4.2	0	0	0	111.9	A517 S521 R525 S526 V527	A517-D523 WeakPolarHBondContact O-CB 3.33Å; A517-D523 PolarHBondContact O-N 3.41Å; S521-D523 PolarHBondContact O-N 3.42Å; D523-R525 VanDerWaalsContact C-N 3.25Å; D523-R525 PolarHBondContact O-N 2.87Å; D523-R525 PolarHBondContact OD1-N 3.23Å; D523-S526 VanDerWaalsContact CG-OG 3.3Å; D523-S526 PolarHBondContact O-N 2.95Å; D523-S526 PolarHBondContact OD1-N 3.41Å; D523-S526 VanDerWaalsContact OD2-CB 3.26Å; D523-S526 WeakPolarHBondContact OD2-CB 3.45Å; D523-S526 PolarHBondContact OD2-OG 3.28Å; D523-V527 WeakPolarHBondContact O-CG2 3.3Å; D523-V527 PolarHBondContact O-N 3.11Å
524	T	98.3	Very high	98.3	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-26.8	-179.9	50.2	0	0	0	0	113.3	V100 L446 C522 V527 L528 F573	V100-T524 HydrophobicContact CG1-CG2 3.84Å; L446-T524 HydrophobicContact CD2-CG2 3.65Å; L446-T524 CarbonylContact O-C 3.57Å; L446-T524 PolarHBondContact O-OG1 3.15Å; C522-T524 VanDerWaalsContact C-N 3.27Å; C522-T524 PolarHBondContact O-N 2.83Å; T524-V527 WeakPolarHBondContact O-CB 3.31Å; T524-V527 PolarHBondContact O-N 2.85Å; T524-L528 WeakPolarHBondContact O-CG 3.45Å; T524-L528 PolarHBondContact O-N 2.98Å; T524-F573 HydrophobicContact CG2-CD1 4.4Å; T524-F573 HydrophobicContact CG2-CE1 3.96Å; T524-F573 HydrophobicContact CG2-CE2 4.39Å; T524-F573 HydrophobicContact CG2-CZ 3.96Å
525	R	97.8	Very high	98.2	Very high	123 Å²	123	30 Å²	30	46%	0.464	16%	0.157	S	C	.	.	H	α-helix	trans	-63.2	-51.6	176.5	178.1	-179	178	-74.6	-6.5	110.5	L446 L447 D523 V527 L528 D529	L446-R525 WeakPolarHBondContact O-CA 3.37Å; L446-R525 PolarHBondContact O-N 3.1Å; L447-R525 WeakPolarHBondContact O-CD 3.38Å; L447-R525 WeakPolarHBondContact O-CG 3.47Å; D523-R525 VanDerWaalsContact C-N 3.25Å; D523-R525 PolarHBondContact O-N 2.87Å; D523-R525 PolarHBondContact OD1-N 3.23Å; R525-V527 VanDerWaalsContact C-N 3.25Å; R525-V527 PolarHBondContact O-N 3.46Å; R525-L528 PolarHBondContact O-N 3.19Å; R525-L528 VanDerWaalsContact O-N 3.17Å; R525-D529 IonicContact CZ-OD2 3.85Å; R525-D529 IonicContact NH1-OD2 3.69Å; R525-D529 PolarHBondContact O-N 3.25Å
526	S	98.5	Very high	98.1	Very high	39 Å²	39	32.5 Å²	32.5	27%	0.273	18%	0.178	S	C	.	.	H	α-helix	trans	-62.7	-34.1	177	-65.4	0	0	0	0	112.2	D523 D529 C530	D523-S526 VanDerWaalsContact CG-OG 3.3Å; D523-S526 PolarHBondContact O-N 2.95Å; D523-S526 PolarHBondContact OD1-N 3.41Å; D523-S526 VanDerWaalsContact OD2-CB 3.26Å; D523-S526 WeakPolarHBondContact OD2-CB 3.45Å; D523-S526 PolarHBondContact OD2-OG 3.28Å; S526-D529 PolarHBondContact O-N 3.23Å; S526-C530 PolarHBondContact O-N 3.32Å; S526-C530 PolarHBondContact O-SG 3.46Å
527	V	98.8	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-47.2	172.6	172.3	0	0	0	0	111.7	V514 A517 L518 D523 T524 R525 D529 C530 I531 L569 F573	V514-V527 HydrophobicContact CG1-CG1 3.97Å; V514-V527 HydrophobicContact CG1-CG2 4.11Å; V514-V527 HydrophobicContact CG2-CG1 4.13Å; A517-V527 HydrophobicContact CB-CG2 3.77Å; L518-V527 HydrophobicContact CD2-CG2 3.99Å; L518-V527 HydrophobicContact CG-CG2 3.91Å; D523-V527 WeakPolarHBondContact O-CG2 3.3Å; D523-V527 PolarHBondContact O-N 3.11Å; T524-V527 WeakPolarHBondContact O-CB 3.31Å; T524-V527 PolarHBondContact O-N 2.85Å; R525-V527 VanDerWaalsContact C-N 3.25Å; R525-V527 PolarHBondContact O-N 3.46Å; V527-D529 VanDerWaalsContact C-N 3.29Å; V527-D529 PolarHBondContact O-N 2.99Å; V527-C530 WeakPolarHBondContact O-CB 3.41Å; V527-C530 PolarHBondContact O-N 2.94Å; V527-C530 VanDerWaalsContact O-N 3.15Å; V527-I531 HydrophobicContact CG1-CD1 4.37Å; V527-I531 WeakPolarHBondContact O-CG1 3.37Å; V527-I531 PolarHBondContact O-N 3.08Å; V527-L569 HydrophobicContact CG1-CD1 4.47Å; V527-L569 HydrophobicContact CG1-CD2 3.6Å; V527-L569 HydrophobicContact CG1-CG 4.29Å; V527-F573 HydrophobicContact CB-CZ 4.49Å; V527-F573 HydrophobicContact CG1-CE2 3.75Å; V527-F573 HydrophobicContact CG1-CZ 3.91Å
528	L	98.6	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-34.6	178.5	-65.5	-168.2	0	0	0	111.9	L443 L446 L447 F467 T524 R525 I531 K532 L570	L443-L528 HydrophobicContact CD2-CD1 4.47Å; L446-L528 HydrophobicContact CB-CD1 3.74Å; L447-L528 HydrophobicContact CD2-CB 4.38Å; L447-L528 HydrophobicContact CD2-CD1 3.71Å; L447-L528 HydrophobicContact CG-CD1 3.84Å; F467-L528 HydrophobicContact CD1-CD1 4.33Å; F467-L528 HydrophobicContact CE1-CB 4.33Å; F467-L528 HydrophobicContact CE1-CD1 3.8Å; F467-L528 HydrophobicContact CE1-CD2 3.83Å; F467-L528 HydrophobicContact CE1-CG 4.19Å; F467-L528 HydrophobicContact CZ-CB 4.1Å; F467-L528 HydrophobicContact CZ-CD1 4.41Å; F467-L528 HydrophobicContact CZ-CD2 4Å; F467-L528 HydrophobicContact CZ-CG 4.38Å; T524-L528 WeakPolarHBondContact O-CG 3.45Å; T524-L528 PolarHBondContact O-N 2.98Å; R525-L528 PolarHBondContact O-N 3.19Å; R525-L528 VanDerWaalsContact O-N 3.17Å; L528-I531 HydrophobicContact CD2-CD1 3.87Å; L528-I531 WeakPolarHBondContact O-CB 3.43Å; L528-I531 PolarHBondContact O-N 2.92Å; L528-K532 WeakPolarHBondContact O-CG 3.41Å; L528-K532 PolarHBondContact O-N 3Å; L528-L570 HydrophobicContact CD2-CD2 4.22Å
529	D	98.4	Very high	97.2	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.294	18%	0.182	S	C	.	.	H	α-helix	trans	-65.3	-38.8	172.7	-70.6	-23.2	0	0	0	111.7	R525 S526 V527 I531 K532 V533	R525-D529 IonicContact CZ-OD2 3.85Å; R525-D529 IonicContact NH1-OD2 3.69Å; R525-D529 PolarHBondContact O-N 3.25Å; S526-D529 PolarHBondContact O-N 3.23Å; V527-D529 VanDerWaalsContact C-N 3.29Å; V527-D529 PolarHBondContact O-N 2.99Å; D529-I531 VanDerWaalsContact C-N 3.33Å; D529-I531 PolarHBondContact O-N 2.99Å; D529-K532 PolarHBondContact O-N 3.35Å; D529-K532 IonicContact OD1-NZ 3.07Å; D529-K532 PolarHBondContact OD1-NZ 3.05Å; D529-K532 VanDerWaalsContact OD1-NZ 3.11Å; D529-V533 WeakPolarHBondContact O-CG2 3.21Å; D529-V533 PolarHBondContact O-N 3Å; D529-V533 VanDerWaalsContact O-N 3.1Å
530	C	98.6	Very high	96.7	Very high	21 Å²	21	37.2 Å²	37.2	14%	0.142	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-39.7	171.6	-67.6	0	0	0	0	112.2	I510 V514 S526 V527 V533 L534	I510-C530 HydrophobicContact CD1-CB 4.45Å; I510-C530 HydrophobicContact CG2-CB 4.21Å; V514-C530 HydrophobicContact CG2-CB 3.86Å; S526-C530 PolarHBondContact O-N 3.32Å; S526-C530 PolarHBondContact O-SG 3.46Å; V527-C530 WeakPolarHBondContact O-CB 3.41Å; V527-C530 PolarHBondContact O-N 2.94Å; V527-C530 VanDerWaalsContact O-N 3.15Å; C530-V533 PolarHBondContact O-N 3.23Å; C530-L534 WeakPolarHBondContact O-CB 3.14Å; C530-L534 PolarHBondContact O-N 2.83Å
531	I	98.4	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-45.4	175.1	-68.2	172.9	0	0	0	110.8	F467 L471 V527 L528 D529 V533 L534 M535 I566 L569 L570	F467-I531 HydrophobicContact CZ-CG2 4.27Å; L471-I531 HydrophobicContact CD2-CG2 4Å; V527-I531 HydrophobicContact CG1-CD1 4.37Å; V527-I531 WeakPolarHBondContact O-CG1 3.37Å; V527-I531 PolarHBondContact O-N 3.08Å; L528-I531 HydrophobicContact CD2-CD1 3.87Å; L528-I531 WeakPolarHBondContact O-CB 3.43Å; L528-I531 PolarHBondContact O-N 2.92Å; D529-I531 VanDerWaalsContact C-N 3.33Å; D529-I531 PolarHBondContact O-N 2.99Å; I531-V533 VanDerWaalsContact C-N 3.33Å; I531-V533 PolarHBondContact O-N 3.36Å; I531-L534 PolarHBondContact O-N 3.27Å; I531-M535 HydrophobicContact CG2-CG 4.22Å; I531-M535 HydrophobicContact CG2-SD 3.51Å; I531-M535 VanDerWaalsContact CG2-SD 3.51Å; I531-M535 VanDerWaalsContact O-CG 3.25Å; I531-M535 WeakPolarHBondContact O-CG 3.38Å; I531-M535 PolarHBondContact O-N 3.38Å; I531-I566 HydrophobicContact CG2-CD1 4.04Å; I531-I566 HydrophobicContact CG2-CG1 4.09Å; I531-I566 HydrophobicContact CG2-CG2 4.21Å; I531-L569 HydrophobicContact CD1-CD2 3.85Å; I531-L569 HydrophobicContact CG1-CD2 4.25Å; I531-L570 HydrophobicContact CD1-CD2 4.21Å
532	K	98.2	Very high	95.6	Very high	50 Å²	50	35.6 Å²	35.6	22%	0.217	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-44.2	177.5	-68.6	171.8	-169.5	160.4	0	112.1	F467 L528 D529 S536	F467-K532 HydrophobicContact CD2-CD 4.27Å; F467-K532 VanDerWaalsContact CD2-CE 3.46Å; F467-K532 HydrophobicContact CD2-CG 3.92Å; F467-K532 HydrophobicContact CE2-CD 4.18Å; F467-K532 HydrophobicContact CE2-CG 3.46Å; F467-K532 VanDerWaalsContact CE2-CG 3.46Å; L528-K532 WeakPolarHBondContact O-CG 3.41Å; L528-K532 PolarHBondContact O-N 3Å; D529-K532 PolarHBondContact O-N 3.35Å; D529-K532 IonicContact OD1-NZ 3.07Å; D529-K532 PolarHBondContact OD1-NZ 3.05Å; D529-K532 VanDerWaalsContact OD1-NZ 3.11Å; K532-S536 WeakPolarHBondContact O-CB 3.43Å; K532-S536 PolarHBondContact O-N 2.95Å; K532-S536 VanDerWaalsContact O-N 3.08Å; K532-S536 PolarHBondContact O-OG 2.7Å
533	V	97.5	Very high	95	Very high	77 Å²	77	39 Å²	39	47%	0.467	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-49.7	176.7	172.4	0	0	0	0	110.2	I510 D529 C530 I531 M535 S536 E537	I510-V533 HydrophobicContact CD1-CG1 4.31Å; D529-V533 WeakPolarHBondContact O-CG2 3.21Å; D529-V533 PolarHBondContact O-N 3Å; D529-V533 VanDerWaalsContact O-N 3.1Å; C530-V533 PolarHBondContact O-N 3.23Å; I531-V533 VanDerWaalsContact C-N 3.33Å; I531-V533 PolarHBondContact O-N 3.36Å; V533-M535 PolarHBondContact O-N 2.96Å; V533-S536 PolarHBondContact O-N 3.36Å; V533-S536 VanDerWaalsContact O-N 3.15Å; V533-E537 HydrophobicContact CG1-CG 4.45Å; V533-E537 WeakPolarHBondContact O-CG 3.26Å; V533-E537 PolarHBondContact O-N 3.34Å
534	L	97.1	Very high	94.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-43.7	-179.1	179	61.5	0	0	0	112.7	F503 L507 I510 C530 I531 S536 E537 A538 T562 F565 I566	F503-L534 HydrophobicContact CZ-CD1 4.12Å; L507-L534 HydrophobicContact CD1-CD1 4.08Å; L507-L534 HydrophobicContact CD1-CD2 3.78Å; I510-L534 HydrophobicContact CG1-CB 4.36Å; I510-L534 HydrophobicContact CG1-CD1 4.39Å; I510-L534 HydrophobicContact CG2-CB 4.15Å; I510-L534 HydrophobicContact CG2-CD2 3.95Å; C530-L534 WeakPolarHBondContact O-CB 3.14Å; C530-L534 PolarHBondContact O-N 2.83Å; I531-L534 PolarHBondContact O-N 3.27Å; L534-S536 VanDerWaalsContact C-N 3.32Å; L534-S536 PolarHBondContact O-N 3.48Å; L534-E537 PolarHBondContact O-N 3.38Å; L534-A538 VanDerWaalsContact O-CB 3.26Å; L534-A538 WeakPolarHBondContact O-CB 3.5Å; L534-A538 PolarHBondContact O-N 3.1Å; L534-T562 HydrophobicContact CD1-CG2 4.06Å; L534-T562 HydrophobicContact CD2-CG2 3.8Å; L534-T562 HydrophobicContact CG-CG2 3.59Å; L534-F565 HydrophobicContact CD2-CD1 3.68Å; L534-F565 HydrophobicContact CD2-CE1 3.94Å; L534-I566 HydrophobicContact CD2-CG1 4.46Å
535	M	97.2	Very high	93.2	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-42.8	175.4	-68.8	162.1	60.3	0	0	111.5	Q470 L471 F474 I531 V533 A538 D539 I566	Q470-M535 HydrophobicContact CB-CE 3.88Å; Q470-M535 WeakPolarHBondContact O-CE 3.31Å; L471-M535 HydrophobicContact CD2-CE 4.24Å; L471-M535 HydrophobicContact CD2-SD 3.76Å; F474-M535 HydrophobicContact CB-CE 3.53Å; F474-M535 HydrophobicContact CB-CG 4.28Å; F474-M535 HydrophobicContact CD1-CB 4.42Å; F474-M535 HydrophobicContact CD1-CG 3.69Å; F474-M535 HydrophobicContact CD2-CB 3.92Å; F474-M535 HydrophobicContact CD2-CG 4.09Å; F474-M535 HydrophobicContact CE1-CG 4.04Å; F474-M535 HydrophobicContact CE2-CB 4.24Å; F474-M535 HydrophobicContact CE2-CG 4.43Å; F474-M535 HydrophobicContact CG-CB 4.02Å; F474-M535 HydrophobicContact CG-CE 4.05Å; F474-M535 HydrophobicContact CG-CG 3.72Å; F474-M535 HydrophobicContact CZ-CG 4.4Å; I531-M535 HydrophobicContact CG2-CG 4.22Å; I531-M535 HydrophobicContact CG2-SD 3.51Å; I531-M535 VanDerWaalsContact CG2-SD 3.51Å; I531-M535 VanDerWaalsContact O-CG 3.25Å; I531-M535 WeakPolarHBondContact O-CG 3.38Å; I531-M535 PolarHBondContact O-N 3.38Å; V533-M535 PolarHBondContact O-N 2.96Å; M535-A538 PolarHBondContact O-N 3.28Å; M535-D539 WeakPolarHBondContact O-CB 3.34Å; M535-D539 PolarHBondContact O-N 3.04Å; M535-I566 HydrophobicContact CG-CD1 3.67Å; M535-I566 HydrophobicContact SD-CD1 4.39Å
536	S	95.3	Very high	92.2	Very high	74 Å²	74	39.3 Å²	39.3	52%	0.517	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-44	-179.4	-58	0	0	0	0	112.2	K532 V533 L534 S540	K532-S536 WeakPolarHBondContact O-CB 3.43Å; K532-S536 PolarHBondContact O-N 2.95Å; K532-S536 VanDerWaalsContact O-N 3.08Å; K532-S536 PolarHBondContact O-OG 2.7Å; V533-S536 PolarHBondContact O-N 3.36Å; V533-S536 VanDerWaalsContact O-N 3.15Å; L534-S536 VanDerWaalsContact C-N 3.32Å; L534-S536 PolarHBondContact O-N 3.48Å; S536-S540 VanDerWaalsContact O-CB 3.28Å; S536-S540 WeakPolarHBondContact O-CB 3.11Å; S536-S540 PolarHBondContact O-N 3.43Å
537	E	93	Very high	90.8	Very high	102 Å²	102	41.8 Å²	41.8	48%	0.477	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-43.6	175.8	-69.1	-59.5	150.2	0	0	111.5	F503 V533 L534 S540 R541	F503-E537 HydrophobicContact CE2-CB 4.25Å; V533-E537 HydrophobicContact CG1-CG 4.45Å; V533-E537 WeakPolarHBondContact O-CG 3.26Å; V533-E537 PolarHBondContact O-N 3.34Å; L534-E537 PolarHBondContact O-N 3.38Å; E537-S540 PolarHBondContact O-N 2.92Å; E537-R541 VanDerWaalsContact O-CB 3.32Å; E537-R541 WeakPolarHBondContact O-CB 3.2Å; E537-R541 PolarHBondContact O-N 3.12Å
538	A	92.7	Very high	89.3	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-48.3	176.7	0	0	0	0	0	112	F474 F503 L534 M535 S540 R541 I542 T562	F474-A538 HydrophobicContact CE2-CB 3.57Å; F474-A538 HydrophobicContact CZ-CB 3.71Å; F503-A538 HydrophobicContact CE2-CB 4.08Å; F503-A538 HydrophobicContact CZ-CB 3.74Å; L534-A538 VanDerWaalsContact O-CB 3.26Å; L534-A538 WeakPolarHBondContact O-CB 3.5Å; L534-A538 PolarHBondContact O-N 3.1Å; M535-A538 PolarHBondContact O-N 3.28Å; A538-S540 PolarHBondContact O-N 2.91Å; A538-R541 PolarHBondContact O-N 3.26Å; A538-I542 WeakPolarHBondContact O-CB 3.42Å; A538-I542 WeakPolarHBondContact O-CD1 3.36Å; A538-I542 WeakPolarHBondContact O-CG1 3.43Å; A538-I542 PolarHBondContact O-N 3.46Å; A538-T562 HydrophobicContact CB-CG2 4.15Å
539	D	91.6	Very high	87.7	Confident	43 Å²	43	49.3 Å²	49.3	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-44.9	177.6	-87	-20	0	0	0	111.7	F474 M535 R541 I542 F543	F474-D539 WeakPolarHBondContact CD2-OD1 3.5Å; M535-D539 WeakPolarHBondContact O-CB 3.34Å; M535-D539 PolarHBondContact O-N 3.04Å; D539-R541 VanDerWaalsContact C-N 3.31Å; D539-R541 PolarHBondContact O-N 3.46Å; D539-I542 PolarHBondContact O-N 3.14Å; D539-F543 HydrophobicContact CB-CD2 4.09Å; D539-F543 HydrophobicContact CB-CE2 4Å; D539-F543 WeakPolarHBondContact O-CB 3.18Å; D539-F543 WeakPolarHBondContact O-CD2 3.49Å; D539-F543 WeakPolarHBondContact O-CG 3.19Å; D539-F543 PolarHBondContact O-N 3.17Å
540	S	89.5	Confident	86.5	Confident	74 Å²	74	49.7 Å²	49.7	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-46.1	176.3	-178.1	0	0	0	0	111.3	S536 E537 A538 S544	S536-S540 VanDerWaalsContact O-CB 3.28Å; S536-S540 WeakPolarHBondContact O-CB 3.11Å; S536-S540 PolarHBondContact O-N 3.43Å; E537-S540 PolarHBondContact O-N 2.92Å; A538-S540 PolarHBondContact O-N 2.91Å; S540-S544 WeakPolarHBondContact O-CB 3.14Å; S540-S544 PolarHBondContact O-N 2.7Å; S540-S544 PolarHBondContact O-OG 3.36Å
541	R	86.2	Confident	85.3	Confident	24 Å²	24	53 Å²	53	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-48	176.6	174.3	173.7	177.4	66.3	1.5	112.6	S501 E537 A538 D539 S544 R545 L555 D558	S501-R541 PolarHBondContact OG-NH1 3.33Å; S501-R541 PolarHBondContact OG-NH2 3.28Å; E537-R541 VanDerWaalsContact O-CB 3.32Å; E537-R541 WeakPolarHBondContact O-CB 3.2Å; E537-R541 PolarHBondContact O-N 3.12Å; A538-R541 PolarHBondContact O-N 3.26Å; D539-R541 VanDerWaalsContact C-N 3.31Å; D539-R541 PolarHBondContact O-N 3.46Å; R541-S544 PolarHBondContact O-OG 3.38Å; R541-R545 WeakPolarHBondContact O-CB 3.37Å; R541-R545 PolarHBondContact O-N 2.97Å; R541-L555 HydrophobicContact CG-CD2 3.94Å; R541-D558 IonicContact CZ-OD2 3.37Å; R541-D558 IonicContact NE-OD2 2.83Å; R541-D558 PolarHBondContact NE-OD2 3.11Å; R541-D558 IonicContact NH2-OD2 3.42Å; R541-D558 PolarHBondContact NH2-OD2 2.97Å
542	I	86.3	Confident	84.5	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-54.5	179	-72.5	166.8	0	0	0	109	T477 I481 A538 D539 S544 R545 I546 A559	T477-I542 HydrophobicContact CG2-CD1 4.14Å; T477-I542 HydrophobicContact CG2-CG2 4.05Å; I481-I542 HydrophobicContact CD1-CG2 3.66Å; I481-I542 HydrophobicContact CG1-CG2 3.86Å; A538-I542 WeakPolarHBondContact O-CB 3.42Å; A538-I542 WeakPolarHBondContact O-CD1 3.36Å; A538-I542 WeakPolarHBondContact O-CG1 3.43Å; A538-I542 PolarHBondContact O-N 3.46Å; D539-I542 PolarHBondContact O-N 3.14Å; I542-S544 PolarHBondContact O-N 3.29Å; I542-R545 PolarHBondContact O-N 2.88Å; I542-I546 HydrophobicContact CG2-CD1 3.46Å; I542-I546 VanDerWaalsContact CG2-CD1 3.46Å; I542-I546 HydrophobicContact CG2-CG1 4.16Å; I542-I546 WeakPolarHBondContact O-CD1 3.38Å; I542-I546 WeakPolarHBondContact O-CG1 3.22Å; I542-I546 PolarHBondContact O-N 3.05Å; I542-A559 HydrophobicContact CD1-CB 3.78Å
543	F	84.1	Confident	83.7	Confident	74 Å²	74	51.3 Å²	51.3	33%	0.325	27%	0.271	S	S	.	.	H	α-helix	trans	-76.7	-21.8	-172.9	-62.8	-49.6	0	0	0	115.1	T477 D539 I546 R770 F785	T477-F543 HydrophobicContact CG2-CE1 4.17Å; T477-F543 HydrophobicContact CG2-CE2 4.39Å; T477-F543 HydrophobicContact CG2-CZ 3.67Å; D539-F543 HydrophobicContact CB-CD2 4.09Å; D539-F543 HydrophobicContact CB-CE2 4Å; D539-F543 WeakPolarHBondContact O-CB 3.18Å; D539-F543 WeakPolarHBondContact O-CD2 3.49Å; D539-F543 WeakPolarHBondContact O-CG 3.19Å; D539-F543 PolarHBondContact O-N 3.17Å; F543-I546 HydrophobicContact CD1-CD1 3.95Å; F543-I546 HydrophobicContact CE1-CD1 4.3Å; F543-R770 VanDerWaalsContact CE1-NH1 3.3Å; F543-F785 HydrophobicContact CE1-CE2 4.33Å
544	S	80.7	Confident	83	Confident	82 Å²	82	49.3 Å²	49.3	57%	0.573	26%	0.258	S	S	*	.	H	α-helix	trans	-77.2	-21	172.4	58	0	0	0	0	113.5	S540 R541 I542	S540-S544 WeakPolarHBondContact O-CB 3.14Å; S540-S544 PolarHBondContact O-N 2.7Å; S540-S544 PolarHBondContact O-OG 3.36Å; R541-S544 PolarHBondContact O-OG 3.38Å; I542-S544 PolarHBondContact O-N 3.29Å
545	R	78.2	Confident	82.4	Confident	69 Å²	69	49.3 Å²	49.3	26%	0.26	26%	0.258	S	S	.	.	H	α-helix	trans	-119	-7.9	-172.3	-63.6	-177.8	174.6	-152	-2.6	115	E499 R541 I542 E547 L555	E499-R545 PolarHBondContact O-NH1 2.76Å; R541-R545 WeakPolarHBondContact O-CB 3.37Å; R541-R545 PolarHBondContact O-N 2.97Å; I542-R545 PolarHBondContact O-N 2.88Å; R545-E547 PolarHBondContact O-N 3.09Å; R545-L555 HydrophobicContact CB-CD1 3.76Å; R545-L555 HydrophobicContact CB-CD2 4.1Å
546	I	76.7	Confident	82	Confident	29 Å²	29	49 Å²	49	15%	0.149	26%	0.256	C	S	.	.			trans	-64.9	109	168.1	-71.9	160.5	0	0	0	108.2	I481 I542 F543 I782	I481-I546 HydrophobicContact CD1-CD1 3.51Å; I481-I546 HydrophobicContact CD1-CG1 4.11Å; I542-I546 HydrophobicContact CG2-CD1 3.46Å; I542-I546 VanDerWaalsContact CG2-CD1 3.46Å; I542-I546 HydrophobicContact CG2-CG1 4.16Å; I542-I546 WeakPolarHBondContact O-CD1 3.38Å; I542-I546 WeakPolarHBondContact O-CG1 3.22Å; I542-I546 PolarHBondContact O-N 3.05Å; F543-I546 HydrophobicContact CD1-CD1 3.95Å; F543-I546 HydrophobicContact CE1-CD1 4.3Å; I546-I782 HydrophobicContact CG2-CD1 4.05Å
547	E	69.4	Low	81.6	Confident	90 Å²	90	46.8 Å²	46.8	42%	0.421	24%	0.239	S	C	.	.			trans	-121.8	141.1	170.1	-69.6	-178.2	-134.6	0	0	109.9	R545 K550	R545-E547 PolarHBondContact O-N 3.09Å; E547-K550 HydrophobicContact CB-CB 4.36Å; E547-K550 HydrophobicContact CB-CD 3.9Å; E547-K550 HydrophobicContact CB-CG 4.04Å; E547-K550 HydrophobicContact CG-CD 4.37Å; E547-K550 PolarHBondContact O-N 3.11Å; E547-K550 IonicContact OE1-NZ 3.99Å; E547-K550 PolarHBondContact OE1-NZ 3.32Å; E547-K550 WeakPolarHBondContact OE2-CD 3.39Å; E547-K550 WeakPolarHBondContact OE2-CE 3.34Å; E547-K550 IonicContact OE2-NZ 2.83Å; E547-K550 PolarHBondContact OE2-NZ 3.2Å
548	P	67.5	Low	81.4	Confident	41 Å²	41	43.3 Å²	43.3	27%	0.266	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	141.2	171	-25.3	37.8	0	0	0	110.8	K550 L780 I782	P548-K550 VanDerWaalsContact C-N 3.27Å; P548-K550 PolarHBondContact O-N 2.88Å; P548-L780 HydrophobicContact CB-CD2 4.1Å; P548-L780 HydrophobicContact CG-CB 4.13Å; P548-L780 HydrophobicContact CG-CD2 3.74Å; P548-L780 HydrophobicContact CG-CG 4.43Å; P548-I782 HydrophobicContact CG-CD1 4.2Å; P548-I782 HydrophobicContact CG-CG1 3.88Å
549	N	65.9	Low	81.3	Confident	117 Å²	117	43.3 Å²	43.3	63%	0.626	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	29.5	178.1	-46.9	-44.1	0	0	0	114.6	L495	L495-N549 HydrophobicContact CD2-CB 4.5Å; L495-N549 WeakPolarHBondContact CD2-O 3.42Å
550	K	72.8	Confident	81.4	Confident	64 Å²	64	41.3 Å²	41.3	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	-111.5	154	164.9	-72.9	-163.7	176.6	168.2	0	111.3	E547 P548 I552	E547-K550 HydrophobicContact CB-CB 4.36Å; E547-K550 HydrophobicContact CB-CD 3.9Å; E547-K550 HydrophobicContact CB-CG 4.04Å; E547-K550 HydrophobicContact CG-CD 4.37Å; E547-K550 PolarHBondContact O-N 3.11Å; E547-K550 IonicContact OE1-NZ 3.99Å; E547-K550 PolarHBondContact OE1-NZ 3.32Å; E547-K550 WeakPolarHBondContact OE2-CD 3.39Å; E547-K550 WeakPolarHBondContact OE2-CE 3.34Å; E547-K550 IonicContact OE2-NZ 2.83Å; E547-K550 PolarHBondContact OE2-NZ 3.2Å; P548-K550 VanDerWaalsContact C-N 3.27Å; P548-K550 PolarHBondContact O-N 2.88Å; K550-I552 PolarHBondContact O-N 3.14Å
551	R	73.6	Confident	81.4	Confident	89 Å²	89	38.2 Å²	38.2	34%	0.336	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-76.1	115.8	173	-172.3	174.1	-177.8	-173	10.3	108.4	L495 E496 E497 S553	L495-R551 HydrophobicContact CB-CB 3.99Å; E496-R551 PolarHBondContact O-N 3.23Å; E497-R551 HydrophobicContact CG-CB 4.43Å; E497-R551 HydrophobicContact CG-CG 4.4Å; E497-R551 IonicContact OE1-CZ 3.33Å; E497-R551 IonicContact OE1-NE 3.97Å; E497-R551 IonicContact OE1-NH1 3.4Å; E497-R551 PolarHBondContact OE1-NH1 3.07Å; R551-S553 PolarHBondContact NE-OG 3.27Å
552	I	80.6	Confident	81.8	Confident	9 Å²	9	37 Å²	37	5%	0.046	19%	0.187	C	C	.	.			trans	-107.2	20.8	-176.6	62.5	167.5	0	0	0	113.1	I481 L484 A485 K550 N554 L555 A556	I481-I552 HydrophobicContact CG2-CD1 4.48Å; L484-I552 HydrophobicContact CB-CD1 3.58Å; L484-I552 HydrophobicContact CD1-CD1 4.5Å; A485-I552 HydrophobicContact CB-CD1 4.47Å; A485-I552 HydrophobicContact CB-CG1 4.06Å; K550-I552 PolarHBondContact O-N 3.14Å; I552-N554 VanDerWaalsContact C-N 3.33Å; I552-N554 PolarHBondContact O-N 2.81Å; I552-L555 HydrophobicContact CB-CB 4.44Å; I552-L555 HydrophobicContact CB-CD1 4.17Å; I552-L555 HydrophobicContact CG2-CD1 4.1Å; I552-L555 PolarHBondContact O-N 3.38Å; I552-A556 PolarHBondContact O-N 2.89Å
553	S	81.5	Confident	82.3	Confident	7 Å²	7	36.9 Å²	36.9	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-45.5	-178.1	-59.2	0	0	0	0	112.4	R551 L555 A556 D557	R551-S553 PolarHBondContact NE-OG 3.27Å; S553-L555 PolarHBondContact O-N 2.85Å; S553-A556 WeakPolarHBondContact O-CA 3.48Å; S553-A556 WeakPolarHBondContact O-CB 3.39Å; S553-A556 PolarHBondContact O-N 3.28Å; S553-D557 PolarHBondContact O-N 3.04Å
554	N	82.5	Confident	82.8	Confident	34 Å²	34	34.2 Å²	34.2	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-39.1	179.7	-62	-5.2	0	0	0	112.1	T498 I552 A556 D557 D558	T498-N554 PolarHBondContact O-ND2 3.04Å; I552-N554 VanDerWaalsContact C-N 3.33Å; I552-N554 PolarHBondContact O-N 2.81Å; N554-A556 VanDerWaalsContact C-N 3.29Å; N554-A556 PolarHBondContact O-N 3.34Å; N554-D557 PolarHBondContact O-N 3.14Å; N554-D558 WeakPolarHBondContact O-CB 3.39Å; N554-D558 VanDerWaalsContact O-CG 3.25Å; N554-D558 PolarHBondContact O-N 3.24Å
555	L	86.1	Confident	83.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-36.5	173.9	-64	176.4	0	0	0	111.7	T498 R541 R545 I552 S553 A559	T498-L555 HydrophobicContact CG2-CD1 4.25Å; R541-L555 HydrophobicContact CG-CD2 3.94Å; R545-L555 HydrophobicContact CB-CD1 3.76Å; R545-L555 HydrophobicContact CB-CD2 4.1Å; I552-L555 HydrophobicContact CB-CB 4.44Å; I552-L555 HydrophobicContact CB-CD1 4.17Å; I552-L555 HydrophobicContact CG2-CD1 4.1Å; I552-L555 PolarHBondContact O-N 3.38Å; S553-L555 PolarHBondContact O-N 2.85Å; L555-A559 WeakPolarHBondContact O-CB 3.48Å; L555-A559 PolarHBondContact O-N 3.32Å
556	A	88.4	Confident	84.4	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-40.3	175.7	0	0	0	0	0	111.9	I481 Q482 A485 I552 S553 N554 A559 F560	I481-A556 HydrophobicContact CG2-CB 3.85Å; Q482-A556 PolarHBondContact NE2-O 3.37Å; A485-A556 HydrophobicContact CB-CB 3.62Å; I552-A556 PolarHBondContact O-N 2.89Å; S553-A556 WeakPolarHBondContact O-CA 3.48Å; S553-A556 WeakPolarHBondContact O-CB 3.39Å; S553-A556 PolarHBondContact O-N 3.28Å; N554-A556 VanDerWaalsContact C-N 3.29Å; N554-A556 PolarHBondContact O-N 3.34Å; A556-A559 PolarHBondContact O-N 2.98Å; A556-F560 VanDerWaalsContact O-CB 3.22Å; A556-F560 WeakPolarHBondContact O-CB 3.27Å; A556-F560 PolarHBondContact O-N 3.13Å
557	D	86.5	Confident	85.5	Confident	29 Å²	29	25.6 Å²	25.6	16%	0.155	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-45.6	174.9	-73.6	-36.6	0	0	0	111.9	S553 N554 A559 F560 A561 L607 R618	S553-D557 PolarHBondContact O-N 3.04Å; N554-D557 PolarHBondContact O-N 3.14Å; D557-A559 PolarHBondContact O-N 2.82Å; D557-F560 PolarHBondContact O-N 2.94Å; D557-A561 VanDerWaalsContact O-CB 3.31Å; D557-A561 WeakPolarHBondContact O-CB 3.34Å; D557-A561 PolarHBondContact O-N 3.44Å; D557-L607 HydrophobicContact CB-CD1 4.46Å; D557-L607 HydrophobicContact CB-CD2 4.13Å; D557-R618 IonicContact OD1-CZ 2.81Å; D557-R618 IonicContact OD1-NH1 3.45Å; D557-R618 PolarHBondContact OD1-NH1 2.98Å; D557-R618 IonicContact OD1-NH2 3.68Å; D557-R618 PolarHBondContact OD1-NH2 3.48Å
558	D	88.7	Confident	86.7	Confident	29 Å²	29	21.4 Å²	21.4	16%	0.155	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-47.3	175.5	-72.2	-24.3	0	0	0	111.7	F503 R541 N554 A561 T562	F503-D558 HydrophobicContact CD1-CB 3.64Å; F503-D558 HydrophobicContact CE1-CB 3.84Å; R541-D558 IonicContact CZ-OD2 3.37Å; R541-D558 IonicContact NE-OD2 2.83Å; R541-D558 PolarHBondContact NE-OD2 3.11Å; R541-D558 IonicContact NH2-OD2 3.42Å; R541-D558 PolarHBondContact NH2-OD2 2.97Å; N554-D558 WeakPolarHBondContact O-CB 3.39Å; N554-D558 VanDerWaalsContact O-CG 3.25Å; N554-D558 PolarHBondContact O-N 3.24Å; D558-A561 PolarHBondContact O-N 2.96Å; D558-T562 WeakPolarHBondContact O-CB 3.2Å; D558-T562 PolarHBondContact O-N 3.07Å; D558-T562 PolarHBondContact O-OG1 2.89Å
559	A	91.6	Very high	88.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-64.6	-41.4	178.7	0	0	0	0	0	111.9	C478 I542 L555 A556 D557 G563	C478-A559 HydrophobicContact CB-CB 4.29Å; C478-A559 PolarHBondContact SG-O 3.08Å; C478-A559 VanDerWaalsContact SG-O 3.34Å; I542-A559 HydrophobicContact CD1-CB 3.78Å; L555-A559 WeakPolarHBondContact O-CB 3.48Å; L555-A559 PolarHBondContact O-N 3.32Å; A556-A559 PolarHBondContact O-N 2.98Å; D557-A559 PolarHBondContact O-N 2.82Å; A559-G563 PolarHBondContact O-N 3.13Å
560	F	92	Very high	89.7	Confident	1 Å²	1	13.9 Å²	13.9	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-65.9	-46.7	177.6	178.1	-104.9	0	0	0	111.2	A556 D557 T562 G563 R564 V581 I605 L607 F617 R618 L621	A556-F560 VanDerWaalsContact O-CB 3.22Å; A556-F560 WeakPolarHBondContact O-CB 3.27Å; A556-F560 PolarHBondContact O-N 3.13Å; D557-F560 PolarHBondContact O-N 2.94Å; F560-T562 VanDerWaalsContact C-N 3.3Å; F560-T562 PolarHBondContact O-N 2.68Å; F560-G563 PolarHBondContact O-N 2.77Å; F560-R564 WeakPolarHBondContact O-CB 3.45Å; F560-R564 PolarHBondContact O-N 2.9Å; F560-V581 HydrophobicContact CE2-CG1 3.99Å; F560-V581 HydrophobicContact CE2-CG2 4.1Å; F560-V581 HydrophobicContact CZ-CG1 4.38Å; F560-I605 HydrophobicContact CD1-CG2 4.32Å; F560-I605 HydrophobicContact CE1-CG2 4.03Å; F560-L607 HydrophobicContact CD1-CD2 4.08Å; F560-F617 HydrophobicContact CE1-CE1 4.44Å; F560-F617 AromaticContact CZ-CD1 3.94Å; F560-F617 HydrophobicContact CZ-CD1 3.94Å; F560-F617 AromaticContact CZ-CE1 3.64Å; F560-F617 HydrophobicContact CZ-CE1 3.64Å; F560-R618 HydrophobicContact CD1-CG 4.3Å; F560-R618 HydrophobicContact CD2-CB 3.9Å; F560-R618 HydrophobicContact CD2-CG 3.78Å; F560-R618 HydrophobicContact CE1-CG 4.21Å; F560-R618 HydrophobicContact CE2-CB 3.98Å; F560-R618 HydrophobicContact CE2-CG 3.7Å; F560-R618 HydrophobicContact CG-CG 4.1Å; F560-R618 HydrophobicContact CZ-CG 3.92Å; F560-L621 HydrophobicContact CD2-CD1 4.3Å; F560-L621 HydrophobicContact CD2-CD2 4.07Å; F560-L621 HydrophobicContact CD2-CG 4.46Å
561	A	90.9	Very high	90.9	Very high	9 Å²	9	12.6 Å²	12.6	7%	0.074	6%	0.058	C	C	.	.	H	α-helix	trans	-58.6	-44.9	177.8	0	0	0	0	0	111.3	L507 D557 D558 F565 I605 L607	L507-A561 HydrophobicContact CD2-CB 3.74Å; D557-A561 VanDerWaalsContact O-CB 3.31Å; D557-A561 WeakPolarHBondContact O-CB 3.34Å; D557-A561 PolarHBondContact O-N 3.44Å; D558-A561 PolarHBondContact O-N 2.96Å; A561-F565 WeakPolarHBondContact O-CB 3.31Å; A561-F565 PolarHBondContact O-N 3.09Å; A561-I605 HydrophobicContact CB-CD1 3.84Å; A561-I605 WeakPolarHBondContact O-CD1 3.43Å; A561-L607 HydrophobicContact CB-CD2 4.38Å
562	T	94.5	Very high	92.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.7	-52.6	178.2	-56.4	0	0	0	0	112	F474 F503 L534 A538 D558 F560 R564 F565 I566	F474-T562 HydrophobicContact CE1-CG2 3.77Å; F474-T562 HydrophobicContact CZ-CG2 3.48Å; F474-T562 VanDerWaalsContact CZ-CG2 3.48Å; F503-T562 WeakPolarHBondContact CE1-OG1 3.41Å; F503-T562 WeakPolarHBondContact CZ-OG1 3.25Å; L534-T562 HydrophobicContact CD1-CG2 4.06Å; L534-T562 HydrophobicContact CD2-CG2 3.8Å; L534-T562 HydrophobicContact CG-CG2 3.59Å; A538-T562 HydrophobicContact CB-CG2 4.15Å; D558-T562 WeakPolarHBondContact O-CB 3.2Å; D558-T562 PolarHBondContact O-N 3.07Å; D558-T562 PolarHBondContact O-OG1 2.89Å; F560-T562 VanDerWaalsContact C-N 3.3Å; F560-T562 PolarHBondContact O-N 2.68Å; T562-R564 VanDerWaalsContact C-N 3.31Å; T562-R564 PolarHBondContact O-N 3.33Å; T562-F565 PolarHBondContact O-N 2.97Å; T562-I566 HydrophobicContact CG2-CD1 4.01Å; T562-I566 WeakPolarHBondContact O-CG1 3.27Å; T562-I566 PolarHBondContact O-N 3.38Å; T562-I566 VanDerWaalsContact O-N 3.08Å
563	G	96.1	Very high	92.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.3	-38.8	-179.7	0	0	0	0	0	112.4	A559 F560 I566 L567	A559-G563 PolarHBondContact O-N 3.13Å; F560-G563 PolarHBondContact O-N 2.77Å; G563-I566 PolarHBondContact O-N 3.5Å; G563-L567 WeakPolarHBondContact O-CB 3.19Å; G563-L567 VanDerWaalsContact O-CG 3.26Å; G563-L567 WeakPolarHBondContact O-CG 3.48Å; G563-L567 PolarHBondContact O-N 3.05Å
564	R	94.6	Very high	93.7	Very high	17 Å²	17	7.8 Å²	7.8	6%	0.064	4%	0.04	C	C	.	.	H	α-helix	trans	-63.2	-48.4	175.4	175.3	168.8	173.3	89	-5.8	112.4	F560 T562 I566 L567 Q568 V581 A583 I605	F560-R564 WeakPolarHBondContact O-CB 3.45Å; F560-R564 PolarHBondContact O-N 2.9Å; T562-R564 VanDerWaalsContact C-N 3.31Å; T562-R564 PolarHBondContact O-N 3.33Å; R564-I566 VanDerWaalsContact C-N 3.31Å; R564-I566 PolarHBondContact O-N 2.72Å; R564-L567 PolarHBondContact O-N 2.95Å; R564-Q568 HydrophobicContact CG-CG 4.28Å; R564-Q568 WeakPolarHBondContact O-CB 3.3Å; R564-Q568 VanDerWaalsContact O-CG 3.31Å; R564-Q568 WeakPolarHBondContact O-CG 3.32Å; R564-Q568 PolarHBondContact O-N 3.42Å; R564-V581 HydrophobicContact CB-CG1 3.77Å; R564-V581 HydrophobicContact CG-CG1 4.03Å; R564-V581 WeakPolarHBondContact CG-O 3.13Å; R564-V581 PolarHBondContact NH1-O 2.94Å; R564-A583 PolarHBondContact NH1-O 3.05Å; R564-A583 PolarHBondContact NH2-O 3.44Å; R564-I605 HydrophobicContact CB-CD1 4.4Å; R564-I605 HydrophobicContact CG-CD1 4.43Å; R564-I605 HydrophobicContact CG-CG1 4.29Å
565	F	95.7	Very high	94.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-56.5	-47.1	177.5	167.7	-111.8	0	0	0	111.4	L507 I510 Q511 V514 L534 A561 T562 Q568 L569 P586 I605	L507-F565 HydrophobicContact CD1-CB 4.39Å; L507-F565 HydrophobicContact CD1-CD1 4.09Å; L507-F565 HydrophobicContact CD1-CG 4.34Å; I510-F565 HydrophobicContact CG2-CE1 4.15Å; Q511-F565 HydrophobicContact CB-CE2 4.32Å; Q511-F565 HydrophobicContact CB-CZ 4.43Å; Q511-F565 HydrophobicContact CG-CD2 3.82Å; Q511-F565 HydrophobicContact CG-CE1 4.31Å; Q511-F565 HydrophobicContact CG-CE2 3.58Å; Q511-F565 HydrophobicContact CG-CG 4.29Å; Q511-F565 HydrophobicContact CG-CZ 3.84Å; V514-F565 HydrophobicContact CB-CZ 4.2Å; V514-F565 HydrophobicContact CG1-CZ 4.28Å; V514-F565 HydrophobicContact CG2-CE1 4.49Å; V514-F565 HydrophobicContact CG2-CZ 4.01Å; L534-F565 HydrophobicContact CD2-CD1 3.68Å; L534-F565 HydrophobicContact CD2-CE1 3.94Å; A561-F565 WeakPolarHBondContact O-CB 3.31Å; A561-F565 PolarHBondContact O-N 3.09Å; T562-F565 PolarHBondContact O-N 2.97Å; F565-Q568 PolarHBondContact O-N 2.9Å; F565-L569 HydrophobicContact CZ-CD2 4.16Å; F565-L569 WeakPolarHBondContact O-CB 3.14Å; F565-L569 PolarHBondContact O-N 3.15Å; F565-L569 VanDerWaalsContact O-N 3.13Å; F565-P586 HydrophobicContact CD2-CB 3.68Å; F565-P586 HydrophobicContact CE2-CB 3.79Å; F565-P586 WeakPolarHBondContact CE2-O 3.26Å; F565-I605 HydrophobicContact CB-CD1 4.38Å
566	I	98	Very high	95	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.1	-47.4	177.4	-68.1	169.2	0	0	0	110.8	L471 F474 I531 L534 M535 T562 G563 R564 Q568 L569 L570	L471-I566 HydrophobicContact CD2-CG2 3.92Å; F474-I566 HydrophobicContact CD1-CD1 4.06Å; F474-I566 HydrophobicContact CE1-CD1 3.7Å; I531-I566 HydrophobicContact CG2-CD1 4.04Å; I531-I566 HydrophobicContact CG2-CG1 4.09Å; I531-I566 HydrophobicContact CG2-CG2 4.21Å; L534-I566 HydrophobicContact CD2-CG1 4.46Å; M535-I566 HydrophobicContact CG-CD1 3.67Å; M535-I566 HydrophobicContact SD-CD1 4.39Å; T562-I566 HydrophobicContact CG2-CD1 4.01Å; T562-I566 WeakPolarHBondContact O-CG1 3.27Å; T562-I566 PolarHBondContact O-N 3.38Å; T562-I566 VanDerWaalsContact O-N 3.08Å; G563-I566 PolarHBondContact O-N 3.5Å; R564-I566 VanDerWaalsContact C-N 3.31Å; R564-I566 PolarHBondContact O-N 2.72Å; I566-Q568 PolarHBondContact O-N 3.36Å; I566-L569 PolarHBondContact O-N 2.93Å; I566-L570 HydrophobicContact CG2-CD1 3.7Å; I566-L570 HydrophobicContact CG2-CG 4.14Å; I566-L570 WeakPolarHBondContact O-CB 3.24Å; I566-L570 VanDerWaalsContact O-CG 3.31Å; I566-L570 WeakPolarHBondContact O-CG 3.45Å; I566-L570 PolarHBondContact O-N 3.46Å
567	L	97.7	Very high	95.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.9	-43.2	-179.9	-76.4	172.5	0	0	0	112.9	L475 G563 R564 L569 L570 R571 A576 V581 A582 L621 S622 L623	L475-L567 HydrophobicContact CD1-CD2 3.76Å; L475-L567 HydrophobicContact CD1-CG 4.31Å; L475-L567 HydrophobicContact CD2-CD1 4.06Å; L475-L567 HydrophobicContact CD2-CD2 4.21Å; L475-L567 HydrophobicContact CD2-CG 3.82Å; G563-L567 WeakPolarHBondContact O-CB 3.19Å; G563-L567 VanDerWaalsContact O-CG 3.26Å; G563-L567 WeakPolarHBondContact O-CG 3.48Å; G563-L567 PolarHBondContact O-N 3.05Å; R564-L567 PolarHBondContact O-N 2.95Å; L567-L569 VanDerWaalsContact C-N 3.29Å; L567-L569 PolarHBondContact O-N 3.08Å; L567-L570 PolarHBondContact O-N 2.92Å; L567-R571 VanDerWaalsContact O-CB 3.24Å; L567-R571 WeakPolarHBondContact O-CB 3.36Å; L567-R571 PolarHBondContact O-N 3.34Å; L567-A576 HydrophobicContact CD2-CB 4.29Å; L567-V581 HydrophobicContact CD1-CB 4.22Å; L567-V581 HydrophobicContact CD1-CG1 3.85Å; L567-A582 HydrophobicContact CB-CB 4.07Å; L567-L621 HydrophobicContact CD1-CB 4.09Å; L567-S622 WeakPolarHBondContact CD2-O 3.47Å; L567-L623 HydrophobicContact CD2-CD2 4.02Å
568	Q	96	Very high	95.6	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.009	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-42.2	176.7	-76.3	174.2	-31.8	0	0	111.7	R564 F565 I566 I572 A582 A583 S585 P586	R564-Q568 HydrophobicContact CG-CG 4.28Å; R564-Q568 WeakPolarHBondContact O-CB 3.3Å; R564-Q568 VanDerWaalsContact O-CG 3.31Å; R564-Q568 WeakPolarHBondContact O-CG 3.32Å; R564-Q568 PolarHBondContact O-N 3.42Å; F565-Q568 PolarHBondContact O-N 2.9Å; I566-Q568 PolarHBondContact O-N 3.36Å; Q568-I572 WeakPolarHBondContact O-CG1 3.34Å; Q568-I572 PolarHBondContact O-N 2.98Å; Q568-A582 WeakPolarHBondContact CG-O 3.21Å; Q568-A583 PolarHBondContact NE2-O 3.04Å; Q568-S585 PolarHBondContact OE1-O 3.37Å; Q568-P586 HydrophobicContact CB-CB 3.82Å; Q568-P586 HydrophobicContact CB-CG 4.01Å
569	L	97.8	Very high	95.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71.3	-46.7	179.8	-175.8	60.1	0	0	0	112.3	Y108 V514 L518 V527 I531 F565 I566 L567 R571 I572 F573 P586	Y108-L569 HydrophobicContact CE2-CD1 4.4Å; V514-L569 HydrophobicContact CG1-CD1 4.16Å; V514-L569 HydrophobicContact CG1-CD2 3.84Å; V514-L569 HydrophobicContact CG2-CD2 4.47Å; L518-L569 HydrophobicContact CD1-CD1 4.32Å; V527-L569 HydrophobicContact CG1-CD1 4.47Å; V527-L569 HydrophobicContact CG1-CD2 3.6Å; V527-L569 HydrophobicContact CG1-CG 4.29Å; I531-L569 HydrophobicContact CD1-CD2 3.85Å; I531-L569 HydrophobicContact CG1-CD2 4.25Å; F565-L569 HydrophobicContact CZ-CD2 4.16Å; F565-L569 WeakPolarHBondContact O-CB 3.14Å; F565-L569 PolarHBondContact O-N 3.15Å; F565-L569 VanDerWaalsContact O-N 3.13Å; I566-L569 PolarHBondContact O-N 2.93Å; L567-L569 VanDerWaalsContact C-N 3.29Å; L567-L569 PolarHBondContact O-N 3.08Å; L569-R571 VanDerWaalsContact C-N 3.28Å; L569-R571 PolarHBondContact O-N 3.06Å; L569-I572 WeakPolarHBondContact O-CB 3.4Å; L569-I572 PolarHBondContact O-N 3.38Å; L569-I572 VanDerWaalsContact O-N 3.09Å; L569-F573 HydrophobicContact CD1-CE1 4.23Å; L569-F573 HydrophobicContact CD1-CE2 3.93Å; L569-F573 HydrophobicContact CD1-CZ 3.63Å; L569-F573 HydrophobicContact CG-CD2 4.48Å; L569-F573 HydrophobicContact CG-CE2 3.84Å; L569-F573 HydrophobicContact CG-CZ 4.08Å; L569-F573 PolarHBondContact O-N 2.87Å; L569-P586 HydrophobicContact CB-CB 4.36Å; L569-P586 HydrophobicContact CB-CG 4.31Å; L569-P586 HydrophobicContact CD1-CG 4.45Å
570	L	98.5	Very high	95.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.4	-31.5	177.4	-68.9	-177.1	0	0	0	112.4	L471 L528 I531 I566 L567 F573 G574 V575 A576 L623	L471-L570 HydrophobicContact CD1-CD1 3.68Å; L471-L570 HydrophobicContact CD2-CD1 3.79Å; L471-L570 HydrophobicContact CG-CD1 4.33Å; L528-L570 HydrophobicContact CD2-CD2 4.22Å; I531-L570 HydrophobicContact CD1-CD2 4.21Å; I566-L570 HydrophobicContact CG2-CD1 3.7Å; I566-L570 HydrophobicContact CG2-CG 4.14Å; I566-L570 WeakPolarHBondContact O-CB 3.24Å; I566-L570 VanDerWaalsContact O-CG 3.31Å; I566-L570 WeakPolarHBondContact O-CG 3.45Å; I566-L570 PolarHBondContact O-N 3.46Å; L567-L570 PolarHBondContact O-N 2.92Å; L570-F573 HydrophobicContact CD2-CD2 4.39Å; L570-F573 CarbonylContact O-C 3.55Å; L570-F573 PolarHBondContact O-N 3.35Å; L570-G574 PolarHBondContact O-N 3.5Å; L570-V575 HydrophobicContact CB-CB 4.1Å; L570-V575 HydrophobicContact CB-CG1 4.28Å; L570-V575 HydrophobicContact CD1-CG1 4.33Å; L570-V575 HydrophobicContact CD2-CB 4.24Å; L570-V575 HydrophobicContact CD2-CG1 4.12Å; L570-V575 HydrophobicContact CG-CG1 4.48Å; L570-V575 WeakPolarHBondContact O-CB 3.38Å; L570-V575 PolarHBondContact O-N 2.99Å; L570-A576 HydrophobicContact CB-CB 3.85Å; L570-A576 PolarHBondContact O-N 3.26Å; L570-A576 VanDerWaalsContact O-N 3.15Å; L570-L623 HydrophobicContact CD1-CD2 3.67Å
571	R	97.6	Very high	95.9	Very high	36 Å²	36	13 Å²	13	14%	0.136	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-44.6	170.2	176.3	-156.4	61.6	133.9	-4.6	111.2	L567 L569 F573 G574 A576 A582 G584	L567-R571 VanDerWaalsContact O-CB 3.24Å; L567-R571 WeakPolarHBondContact O-CB 3.36Å; L567-R571 PolarHBondContact O-N 3.34Å; L569-R571 VanDerWaalsContact C-N 3.28Å; L569-R571 PolarHBondContact O-N 3.06Å; R571-F573 PolarHBondContact O-N 3.44Å; R571-G574 PolarHBondContact O-N 3.45Å; R571-A576 WeakPolarHBondContact CA-O 3.31Å; R571-A576 HydrophobicContact CB-CB 4.41Å; R571-A582 HydrophobicContact CB-CB 4.13Å; R571-A582 WeakPolarHBondContact CD-O 3.47Å; R571-A582 HydrophobicContact CG-CB 4.47Å; R571-A582 PolarHBondContact NE-O 3.02Å; R571-A582 VanDerWaalsContact NE-O 3.08Å; R571-G584 PolarHBondContact NH2-O 3.47Å
572	I	98.1	Very high	96	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-37.7	174.9	-68.8	171.3	0	0	0	110.5	R103 V104 D107 Y108 Q568 L569 G574 P586	R103-I572 HydrophobicContact CB-CG2 4.38Å; R103-I572 WeakPolarHBondContact CB-O 3.23Å; R103-I572 WeakPolarHBondContact CD-O 3.44Å; V104-I572 HydrophobicContact CG2-CG2 4.43Å; D107-I572 HydrophobicContact CB-CD1 4.38Å; D107-I572 HydrophobicContact CB-CG1 3.93Å; D107-I572 HydrophobicContact CB-CG2 4.26Å; Y108-I572 HydrophobicContact CD2-CD1 3.96Å; Q568-I572 WeakPolarHBondContact O-CG1 3.34Å; Q568-I572 PolarHBondContact O-N 2.98Å; L569-I572 WeakPolarHBondContact O-CB 3.4Å; L569-I572 PolarHBondContact O-N 3.38Å; L569-I572 VanDerWaalsContact O-N 3.09Å; I572-G574 PolarHBondContact O-N 3.49Å; I572-P586 HydrophobicContact CD1-CG 3.66Å
573	F	98.5	Very high	95.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.4	175.3	-58.3	-27.5	0	0	0	114.5	V100 V104 R442 L446 L518 T524 V527 L569 L570 R571 V575	V100-F573 HydrophobicContact CG1-CD1 4.15Å; V104-F573 HydrophobicContact CG2-CD1 4.06Å; V104-F573 HydrophobicContact CG2-CE1 3.62Å; R442-F573 PolarHBondContact NE-O 3.21Å; R442-F573 VanDerWaalsContact NE-O 3.1Å; R442-F573 PolarHBondContact NH2-O 3.34Å; L446-F573 HydrophobicContact CD1-CB 3.93Å; L446-F573 HydrophobicContact CD1-CD2 4.47Å; L446-F573 HydrophobicContact CD1-CG 4.5Å; L446-F573 HydrophobicContact CD2-CB 4.23Å; L446-F573 HydrophobicContact CD2-CD2 4.41Å; L446-F573 HydrophobicContact CD2-CG 4.23Å; L518-F573 HydrophobicContact CD2-CE1 4.05Å; L518-F573 HydrophobicContact CD2-CZ 4Å; T524-F573 HydrophobicContact CG2-CD1 4.4Å; T524-F573 HydrophobicContact CG2-CE1 3.96Å; T524-F573 HydrophobicContact CG2-CE2 4.39Å; T524-F573 HydrophobicContact CG2-CZ 3.96Å; V527-F573 HydrophobicContact CB-CZ 4.49Å; V527-F573 HydrophobicContact CG1-CE2 3.75Å; V527-F573 HydrophobicContact CG1-CZ 3.91Å; L569-F573 HydrophobicContact CD1-CE1 4.23Å; L569-F573 HydrophobicContact CD1-CE2 3.93Å; L569-F573 HydrophobicContact CD1-CZ 3.63Å; L569-F573 HydrophobicContact CG-CD2 4.48Å; L569-F573 HydrophobicContact CG-CE2 3.84Å; L569-F573 HydrophobicContact CG-CZ 4.08Å; L569-F573 PolarHBondContact O-N 2.87Å; L570-F573 HydrophobicContact CD2-CD2 4.39Å; L570-F573 CarbonylContact O-C 3.55Å; L570-F573 PolarHBondContact O-N 3.35Å; R571-F573 PolarHBondContact O-N 3.44Å; F573-V575 HydrophobicContact CB-CG2 4.16Å; F573-V575 PolarHBondContact O-N 2.86Å
574	G	98	Very high	95.2	Very high	4 Å²	4	16.9 Å²	16.9	4%	0.041	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	20.6	-176.5	0	0	0	0	0	114.1	N246 R442 L570 R571 I572	N246-G574 PolarHBondContact ND2-O 3.09Å; R442-G574 VanDerWaalsContact CD-O 3.27Å; R442-G574 WeakPolarHBondContact CD-O 3.42Å; R442-G574 PolarHBondContact NE-O 3.32Å; L570-G574 PolarHBondContact O-N 3.5Å; R571-G574 PolarHBondContact O-N 3.45Å; I572-G574 PolarHBondContact O-N 3.49Å
575	V	98.2	Very high	94.9	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.042	11%	0.112	C	C	.	.	S	Bend	trans	-92.3	-33.1	177.8	172.8	0	0	0	0	111.4	R439 R442 L443 L446 L570 F573	R439-V575 WeakPolarHBondContact CD-O 3.12Å; R439-V575 HydrophobicContact CG-CG1 3.79Å; R439-V575 WeakPolarHBondContact CG-O 3.11Å; R442-V575 HydrophobicContact CB-CG2 4.4Å; L443-V575 HydrophobicContact CD1-CG1 4.38Å; L443-V575 HydrophobicContact CD2-CG1 3.78Å; L443-V575 HydrophobicContact CD2-CG2 3.96Å; L443-V575 HydrophobicContact CG-CG1 4.07Å; L443-V575 HydrophobicContact CG-CG2 4.38Å; L446-V575 HydrophobicContact CD1-CG2 3.32Å; L570-V575 HydrophobicContact CB-CB 4.1Å; L570-V575 HydrophobicContact CB-CG1 4.28Å; L570-V575 HydrophobicContact CD1-CG1 4.33Å; L570-V575 HydrophobicContact CD2-CB 4.24Å; L570-V575 HydrophobicContact CD2-CG1 4.12Å; L570-V575 HydrophobicContact CG-CG1 4.48Å; L570-V575 WeakPolarHBondContact O-CB 3.38Å; L570-V575 PolarHBondContact O-N 2.99Å; F573-V575 HydrophobicContact CB-CG2 4.16Å; F573-V575 PolarHBondContact O-N 2.86Å
576	A	97.2	Very high	94.8	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.033	11%	0.112	C	C	.	.	S	Bend	trans	-111.5	150.7	175.8	0	0	0	0	0	111.1	L567 L570 R571 L623	L567-A576 HydrophobicContact CD2-CB 4.29Å; L570-A576 HydrophobicContact CB-CB 3.85Å; L570-A576 PolarHBondContact O-N 3.26Å; L570-A576 VanDerWaalsContact O-N 3.15Å; R571-A576 WeakPolarHBondContact CA-O 3.31Å; R571-A576 HydrophobicContact CB-CB 4.41Å; A576-L623 HydrophobicContact CB-CD2 3.93Å
577	D	95.4	Very high	94.6	Very high	72 Å²	72	17.9 Å²	17.9	39%	0.385	11%	0.112	S	C	.	.			trans	-72.5	167	175.2	-70.8	-17.8	0	0	0	112	T579 L623 D624 R625	D577-T579 VanDerWaalsContact C-N 3.35Å; D577-T579 PolarHBondContact O-N 2.83Å; D577-L623 PolarHBondContact N-O 3.43Å; D577-D624 WeakPolarHBondContact OD2-CA 3.37Å; D577-R625 HydrophobicContact CB-CB 3.92Å; D577-R625 PolarHBondContact OD2-N 3.13Å
578	H	92.8	Very high	94.4	Very high	114 Å²	114	17.9 Å²	17.9	53%	0.528	11%	0.112	S	C	.	.			trans	-73.7	88.2	167.7	-67.9	-95.3	0	0	0	110.3	H706	H578-H706 PolarHBondContact O-CE1 2.87Å; H578-H706 VanDerWaalsContact O-CE1 3.29Å
579	T	94	Very high	94	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	12%	0.123	C	C	.	.			trans	-93.7	164.2	167.5	67.1	0	0	0	0	110.8	D577 V581 A582 A583 E709	D577-T579 VanDerWaalsContact C-N 3.35Å; D577-T579 PolarHBondContact O-N 2.83Å; T579-V581 PolarHBondContact O-N 2.96Å; T579-A582 PolarHBondContact O-N 3.22Å; T579-A582 VanDerWaalsContact O-N 3.16Å; T579-A582 VanDerWaalsContact OG1-CB 3.24Å; T579-A582 WeakPolarHBondContact OG1-CB 3.38Å; T579-A582 PolarHBondContact OG1-N 3.33Å; T579-A583 PolarHBondContact O-N 3.27Å; T579-E709 WeakPolarHBondContact CA-OE2 3.37Å; T579-E709 WeakPolarHBondContact CB-OE2 3.48Å
580	A	91.6	Very high	93.6	Very high	6 Å²	6	20.9 Å²	20.9	5%	0.05	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-41.1	176.7	0	0	0	0	0	110.6	A583 F617 H706 E709 I710	A580-A583 WeakPolarHBondContact O-CB 3.27Å; A580-A583 PolarHBondContact O-N 3.03Å; A580-F617 HydrophobicContact CB-CD2 3.9Å; A580-F617 HydrophobicContact CB-CE2 3.71Å; A580-F617 WeakPolarHBondContact O-CE2 3.4Å; A580-H706 HydrophobicContact CB-CB 3.62Å; A580-H706 PolarHBondContact N-ND1 2.8Å; A580-E709 WeakPolarHBondContact CB-OE2 3.23Å; A580-E709 PolarHBondContact N-OE2 2.89Å; A580-I710 HydrophobicContact CB-CD1 4.17Å; A580-I710 HydrophobicContact CB-CG1 4.29Å
581	V	92.2	Very high	93.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.1	178.5	-179.9	0	0	0	0	111.7	F560 R564 L567 T579 A583 F617 W620 L621	F560-V581 HydrophobicContact CE2-CG1 3.99Å; F560-V581 HydrophobicContact CE2-CG2 4.1Å; F560-V581 HydrophobicContact CZ-CG1 4.38Å; R564-V581 HydrophobicContact CB-CG1 3.77Å; R564-V581 HydrophobicContact CG-CG1 4.03Å; R564-V581 WeakPolarHBondContact CG-O 3.13Å; R564-V581 PolarHBondContact NH1-O 2.94Å; L567-V581 HydrophobicContact CD1-CB 4.22Å; L567-V581 HydrophobicContact CD1-CG1 3.85Å; T579-V581 PolarHBondContact O-N 2.96Å; V581-A583 PolarHBondContact O-N 3.12Å; V581-F617 WeakPolarHBondContact CG2-O 3.46Å; V581-W620 WeakPolarHBondContact CG2-O 3.41Å; V581-L621 HydrophobicContact CG1-CD2 4.33Å; V581-L621 HydrophobicContact CG1-CG 4.42Å
582	A	93	Very high	93.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.4	177.3	0	0	0	0	0	113.9	L567 Q568 R571 T579	L567-A582 HydrophobicContact CB-CB 4.07Å; Q568-A582 WeakPolarHBondContact CG-O 3.21Å; R571-A582 HydrophobicContact CB-CB 4.13Å; R571-A582 WeakPolarHBondContact CD-O 3.47Å; R571-A582 HydrophobicContact CG-CB 4.47Å; R571-A582 PolarHBondContact NE-O 3.02Å; R571-A582 VanDerWaalsContact NE-O 3.08Å; T579-A582 PolarHBondContact O-N 3.22Å; T579-A582 VanDerWaalsContact O-N 3.16Å; T579-A582 VanDerWaalsContact OG1-CB 3.24Å; T579-A582 WeakPolarHBondContact OG1-CB 3.38Å; T579-A582 PolarHBondContact OG1-N 3.33Å
583	A	88.6	Confident	93.1	Very high	42 Å²	42	21.6 Å²	21.6	35%	0.347	15%	0.146	S	C	.	.			trans	-69.5	151.5	177.5	0	0	0	0	0	112.3	R564 Q568 T579 A580 V581	R564-A583 PolarHBondContact NH1-O 3.05Å; R564-A583 PolarHBondContact NH2-O 3.44Å; Q568-A583 PolarHBondContact NE2-O 3.04Å; T579-A583 PolarHBondContact O-N 3.27Å; A580-A583 WeakPolarHBondContact O-CB 3.27Å; A580-A583 PolarHBondContact O-N 3.03Å; V581-A583 PolarHBondContact O-N 3.12Å
584	G	85.6	Confident	92.8	Very high	48 Å²	48	21.6 Å²	21.6	50%	0.495	15%	0.146	S	C	.	.	S	Bend	trans	100.5	-159	-178.6	0	0	0	0	0	113.1	R571	R571-G584 PolarHBondContact NH2-O 3.47Å
585	S	89.2	Confident	92.3	Very high	37 Å²	37	23.5 Å²	23.5	26%	0.259	17%	0.165	S	C	.	.			trans	-121.3	132.8	-177.2	-177.9	0	0	0	0	110.8	Q568 V587	Q568-S585 PolarHBondContact OE1-O 3.37Å; S585-V587 VanDerWaalsContact C-N 3.27Å; S585-V587 WeakPolarHBondContact OG-CB 3.39Å; S585-V587 WeakPolarHBondContact OG-CG2 3.38Å; S585-V587 PolarHBondContact OG-N 3.36Å
586	P	93.3	Very high	92	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	17%	0.172	C	C	.	.			trans	-84.5	2.8	172	32.8	-29.6	0	0	0	113.1	Y108 F565 Q568 L569 I572	Y108-P586 HydrophobicContact CD2-CG 3.95Å; Y108-P586 HydrophobicContact CE2-CG 3.92Å; F565-P586 HydrophobicContact CD2-CB 3.68Å; F565-P586 HydrophobicContact CE2-CB 3.79Å; F565-P586 WeakPolarHBondContact CE2-O 3.26Å; Q568-P586 HydrophobicContact CB-CB 3.82Å; Q568-P586 HydrophobicContact CB-CG 4.01Å; L569-P586 HydrophobicContact CB-CB 4.36Å; L569-P586 HydrophobicContact CB-CG 4.31Å; L569-P586 HydrophobicContact CD1-CG 4.45Å; I572-P586 HydrophobicContact CD1-CG 3.66Å
587	V	94.1	Very high	91.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-67.9	130.3	-177.1	-179.4	0	0	0	0	110	Y108 Y515 S585 A591 I593 V598 N604	Y108-V587 HydrophobicContact CD1-CG2 3.99Å; Y108-V587 HydrophobicContact CD2-CG2 3.81Å; Y108-V587 HydrophobicContact CE1-CG2 3.9Å; Y108-V587 HydrophobicContact CE2-CG2 3.7Å; Y108-V587 HydrophobicContact CG-CG2 3.94Å; Y108-V587 VanDerWaalsContact O-CG2 3.31Å; Y108-V587 WeakPolarHBondContact O-CG2 3.37Å; Y515-V587 HydrophobicContact CD2-CG1 4.38Å; S585-V587 VanDerWaalsContact C-N 3.27Å; S585-V587 WeakPolarHBondContact OG-CB 3.39Å; S585-V587 WeakPolarHBondContact OG-CG2 3.38Å; S585-V587 PolarHBondContact OG-N 3.36Å; V587-A591 HydrophobicContact CG1-CB 3.84Å; V587-I593 HydrophobicContact CG1-CG2 3.88Å; V587-I593 HydrophobicContact CG2-CG2 4.31Å; V587-V598 HydrophobicContact CB-CG2 4.39Å; V587-V598 HydrophobicContact CG1-CG2 3.72Å; V587-N604 PolarHBondContact O-ND2 3.47Å; V587-N604 VanDerWaalsContact O-ND2 3.14Å; V587-N604 PolarHBondContact O-OD1 3.46Å
588	P	92.8	Very high	91.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-65.4	154	178.8	20.7	-28	0	0	0	113.2	Q511 Y515 A591	Q511-P588 HydrophobicContact CB-CB 3.85Å; Q511-P588 HydrophobicContact CB-CG 4.15Å; Y515-P588 HydrophobicContact CG-CG 4.4Å; P588-A591 HydrophobicContact CG-CB 4.03Å; P588-A591 WeakPolarHBondContact O-CB 3.31Å; P588-A591 PolarHBondContact O-N 2.76Å
589	S	88	Confident	90.8	Very high	36 Å²	36	26 Å²	26	25%	0.252	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	146.2	177.7	-54.2	0	0	0	0	110.6	A591 H602 N604	S589-A591 PolarHBondContact O-N 2.79Å; S589-A591 VanDerWaalsContact O-N 3.13Å; S589-H602 PolarHBondContact OG-O 3.28Å; S589-H602 VanDerWaalsContact OG-O 3.13Å; S589-N604 PolarHBondContact N-ND2 2.87Å; S589-N604 PolarHBondContact OG-ND2 3.32Å
590	G	90.1	Very high	89.6	Confident	30 Å²	30	33.5 Å²	33.5	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-12.1	-176.7	0	0	0	0	0	114.9	V598	G590-V598 WeakPolarHBondContact CA-O 3.16Å; G590-V598 PolarHBondContact N-O 3.45Å
591	A	93.5	Very high	87.8	Confident	7 Å²	7	41.9 Å²	41.9	6%	0.058	26%	0.257	C	S	.	.			trans	-66.3	153	173.4	0	0	0	0	0	111.4	Y515 V587 P588 S589 K597 V598	Y515-A591 HydrophobicContact CD2-CB 3.75Å; Y515-A591 HydrophobicContact CE2-CB 3.62Å; Y515-A591 HydrophobicContact CG-CB 4.27Å; V587-A591 HydrophobicContact CG1-CB 3.84Å; P588-A591 HydrophobicContact CG-CB 4.03Å; P588-A591 WeakPolarHBondContact O-CB 3.31Å; P588-A591 PolarHBondContact O-N 2.76Å; S589-A591 PolarHBondContact O-N 2.79Å; S589-A591 VanDerWaalsContact O-N 3.13Å; A591-K597 CarbonylContact O-C 3.43Å; A591-K597 WeakPolarHBondContact O-CA 3.24Å; A591-V598 PolarHBondContact O-N 2.83Å
592	T	94.6	Very high	85.7	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.4	-179.4	-55.8	0	0	0	0	109.5	Q49 L50 P51 Y515	Q49-T592 HydrophobicContact CB-CG2 3.93Å; Q49-T592 HydrophobicContact CG-CG2 3.63Å; Q49-T592 PolarHBondContact NE2-OG1 3.39Å; L50-T592 WeakPolarHBondContact O-CG2 3.32Å; P51-T592 WeakPolarHBondContact CB-O 3.32Å; Y515-T592 WeakPolarHBondContact CE2-O 3.42Å; Y515-T592 PolarHBondContact OH-N 3.2Å; Y515-T592 PolarHBondContact OH-O 3.46Å
593	I	94.1	Very high	83.5	Confident	31 Å²	31	52.6 Å²	52.6	16%	0.159	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	172.4	171.1	59.6	173	0	0	0	108.9	Q49 F109 N110 V587 G595 G596 V598	Q49-I593 VanDerWaalsContact O-O 3.13Å; F109-I593 HydrophobicContact CD1-CG2 4.49Å; N110-I593 HydrophobicContact CB-CD1 4Å; V587-I593 HydrophobicContact CG1-CG2 3.88Å; V587-I593 HydrophobicContact CG2-CG2 4.31Å; I593-G595 PolarHBondContact O-N 2.83Å; I593-G596 WeakPolarHBondContact CG1-O 3.41Å; I593-G596 PolarHBondContact N-O 2.96Å; I593-G596 PolarHBondContact O-N 3.41Å; I593-V598 HydrophobicContact CD1-CG2 4.12Å; I593-V598 HydrophobicContact CG1-CG2 4.23Å; I593-V598 HydrophobicContact CG2-CG2 4.26Å
594	A	92	Very high	81.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	110.5	176.1	0	0	0	0	0	108.9	L50 R72 F109 N110 F111	L50-A594 HydrophobicContact CD2-CB 4.25Å; R72-A594 HydrophobicContact CB-CB 4.3Å; R72-A594 VanDerWaalsContact CD-O 3.26Å; R72-A594 WeakPolarHBondContact CD-O 3.33Å; R72-A594 HydrophobicContact CG-CB 3.94Å; R72-A594 PolarHBondContact NH1-O 3Å; F109-A594 WeakPolarHBondContact O-CA 3.33Å; F109-A594 WeakPolarHBondContact O-CB 3.49Å; F109-A594 PolarHBondContact O-N 3.11Å; N110-A594 PolarHBondContact ND2-O 2.89Å; F111-A594 HydrophobicContact CD1-CB 3.74Å; F111-A594 HydrophobicContact CD2-CB 4.23Å; F111-A594 HydrophobicContact CE1-CB 3.76Å; F111-A594 HydrophobicContact CE2-CB 4.26Å; F111-A594 HydrophobicContact CG-CB 3.98Å; F111-A594 HydrophobicContact CZ-CB 4.04Å
595	G	88.6	Confident	80	Confident	44 Å²	44	49.9 Å²	49.9	45%	0.454	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.3	-6.3	-179.1	0	0	0	0	0	114.1	Q49 R72 I593	Q49-G595 PolarHBondContact O-N 3.41Å; R72-G595 VanDerWaalsContact CD-N 3.32Å; I593-G595 PolarHBondContact O-N 2.83Å
596	G	90.6	Very high	78	Confident	19 Å²	19	51.3 Å²	51.3	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.1	-172.2	173.7	0	0	0	0	0	113.7	I593	I593-G596 WeakPolarHBondContact CG1-O 3.41Å; I593-G596 PolarHBondContact N-O 2.96Å; I593-G596 PolarHBondContact O-N 3.41Å
597	K	91.1	Very high	75.8	Confident	135 Å²	135	54.4 Å²	54.4	59%	0.587	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.9	174.8	-68.1	-172.4	176.9	-174.1	0	111.1	A591	A591-K597 CarbonylContact O-C 3.43Å; A591-K597 WeakPolarHBondContact O-CA 3.24Å
598	V	88.7	Confident	73.4	Confident	14 Å²	14	61.2 Å²	61.2	9%	0.085	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63.3	125.1	167.5	179.9	0	0	0	0	108	V587 G590 A591 I593 H602	V587-V598 HydrophobicContact CB-CG2 4.39Å; V587-V598 HydrophobicContact CG1-CG2 3.72Å; G590-V598 WeakPolarHBondContact CA-O 3.16Å; G590-V598 PolarHBondContact N-O 3.45Å; A591-V598 PolarHBondContact O-N 2.83Å; I593-V598 HydrophobicContact CD1-CG2 4.12Å; I593-V598 HydrophobicContact CG1-CG2 4.23Å; I593-V598 HydrophobicContact CG2-CG2 4.26Å; V598-H602 HydrophobicContact CG1-CB 4.33Å
599	P	81.9	Confident	71.1	Confident	81 Å²	81	69 Å²	69	53%	0.526	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-57.3	142.1	-176.3	-23.6	32.1	0	0	0	112.8	H601 H602	P599-H601 VanDerWaalsContact C-N 3.3Å; P599-H601 PolarHBondContact O-N 3.13Å; P599-H602 HydrophobicContact CB-CB 4.22Å; P599-H602 WeakPolarHBondContact O-CB 3.36Å; P599-H602 PolarHBondContact O-N 3.37Å; P599-H602 VanDerWaalsContact O-N 3.09Å
600	E	67.3	Low	69.2	Low	159 Å²	159	68.6 Å²	68.6	74%	0.743	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.5	179.2	-68.3	-177.5	179.8	0	0	112.7	H602	E600-H602 VanDerWaalsContact C-N 3.26Å; E600-H602 PolarHBondContact O-N 2.89Å
601	H	54	Low	67.4	Low	181 Å²	181	71 Å²	71	84%	0.838	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	5.9	176.4	-54.9	-55.1	0	0	0	113.8	P599 E603	P599-H601 VanDerWaalsContact C-N 3.3Å; P599-H601 PolarHBondContact O-N 3.13Å; H601-E603 PolarHBondContact O-N 3.17Å
602	H	48	Very low	65.4	Low	96 Å²	96	78.1 Å²	78.1	44%	0.444	40%	0.399	S	S	.	.			trans	-72.7	100.7	169.7	-160.9	-89.2	0	0	0	106.8	S589 V598 P599 E600 N604	S589-H602 PolarHBondContact OG-O 3.28Å; S589-H602 VanDerWaalsContact OG-O 3.13Å; V598-H602 HydrophobicContact CG1-CB 4.33Å; P599-H602 HydrophobicContact CB-CB 4.22Å; P599-H602 WeakPolarHBondContact O-CB 3.36Å; P599-H602 PolarHBondContact O-N 3.37Å; P599-H602 VanDerWaalsContact O-N 3.09Å; E600-H602 VanDerWaalsContact C-N 3.26Å; E600-H602 PolarHBondContact O-N 2.89Å; H602-N604 PolarHBondContact ND1-OD1 3.3Å; H602-N604 PolarHBondContact O-N 3.46Å
603	E	47.7	Very low	63.9	Low	130 Å²	130	80.7 Å²	80.7	61%	0.607	42%	0.417	S	S	*	.			trans	-58.7	95.6	162.1	-75.4	-176.4	166.7	0	0	106.6	H601 I605 P606	H601-E603 PolarHBondContact O-N 3.17Å; E603-I605 CarbonylContact O-C 3.54Å; E603-I605 PolarHBondContact O-N 3.27Å; E603-P606 WeakPolarHBondContact O-CD 3.29Å; E603-P606 WeakPolarHBondContact OE2-CA 3.42Å
604	N	48.5	Very low	62.9	Low	16 Å²	16	79.3 Å²	79.3	9%	0.086	41%	0.41	C	S	.	.	S	Bend	trans	-56.3	-20.3	178.3	-66.3	-34.4	0	0	0	111.8	V587 S589 H602	V587-N604 PolarHBondContact O-ND2 3.47Å; V587-N604 VanDerWaalsContact O-ND2 3.14Å; V587-N604 PolarHBondContact O-OD1 3.46Å; S589-N604 PolarHBondContact N-ND2 2.87Å; S589-N604 PolarHBondContact OG-ND2 3.32Å; H602-N604 PolarHBondContact ND1-OD1 3.3Å; H602-N604 PolarHBondContact O-N 3.46Å
605	I	52	Low	62.4	Low	18 Å²	18	79.9 Å²	79.9	9%	0.092	41%	0.413	C	S	.	.	S	Bend	trans	-132.1	99.9	169	-57.6	174.2	0	0	0	105.3	F560 A561 R564 F565 E603 L607	F560-I605 HydrophobicContact CD1-CG2 4.32Å; F560-I605 HydrophobicContact CE1-CG2 4.03Å; A561-I605 HydrophobicContact CB-CD1 3.84Å; A561-I605 WeakPolarHBondContact O-CD1 3.43Å; R564-I605 HydrophobicContact CB-CD1 4.4Å; R564-I605 HydrophobicContact CG-CD1 4.43Å; R564-I605 HydrophobicContact CG-CG1 4.29Å; F565-I605 HydrophobicContact CB-CD1 4.38Å; E603-I605 CarbonylContact O-C 3.54Å; E603-I605 PolarHBondContact O-N 3.27Å; I605-L607 HydrophobicContact CG2-CD2 4.18Å; I605-L607 HydrophobicContact CG2-CG 4.4Å; I605-L607 PolarHBondContact O-N 3.35Å
606	P	47.3	Very low	62.1	Low	66 Å²	66	78.2 Å²	78.2	43%	0.429	40%	0.396	S	S	.	.			trans	-60.2	100.6	164.4	23.4	-29.3	0	0	0	106.2	E603 R608	E603-P606 WeakPolarHBondContact O-CD 3.29Å; E603-P606 WeakPolarHBondContact OE2-CA 3.42Å; P606-R608 PolarHBondContact O-N 3.31Å
607	L	46.2	Very low	61.9	Low	66 Å²	66	79.5 Å²	79.5	35%	0.346	40%	0.396	S	S	.	.			trans	-68.5	85.2	164	-70.4	171.1	0	0	0	103.4	D557 F560 A561 I605 E609	D557-L607 HydrophobicContact CB-CD1 4.46Å; D557-L607 HydrophobicContact CB-CD2 4.13Å; F560-L607 HydrophobicContact CD1-CD2 4.08Å; A561-L607 HydrophobicContact CB-CD2 4.38Å; I605-L607 HydrophobicContact CG2-CD2 4.18Å; I605-L607 HydrophobicContact CG2-CG 4.4Å; I605-L607 PolarHBondContact O-N 3.35Å; L607-E609 VanDerWaalsContact C-N 3.31Å; L607-E609 PolarHBondContact O-N 2.91Å
608	R	44.8	Very low	61.8	Low	143 Å²	143	73.2 Å²	73.2	54%	0.54	37%	0.369	S	S	.	.			trans	-50.2	109.3	159.9	-125.9	-170.6	-176.4	-172.3	0.8	104	P606 A610 S613 A614 R618	P606-R608 PolarHBondContact O-N 3.31Å; R608-A610 PolarHBondContact O-N 3.3Å; R608-S613 PolarHBondContact NH1-O 3.15Å; R608-A614 HydrophobicContact CB-CB 3.91Å; R608-A614 HydrophobicContact CG-CB 4.5Å; R608-R618 PolarHBondContact O-NE 2.72Å; R608-R618 VanDerWaalsContact O-NE 3.1Å; R608-R618 PolarHBondContact O-NH2 3.49Å
609	E	44.6	Very low	61.9	Low	162 Å²	162	72.6 Å²	72.6	76%	0.757	37%	0.365	S	S	*	.			trans	-40.8	140.9	-177.3	-72.9	-178.5	167.8	0	0	108.8	L607 D611	L607-E609 VanDerWaalsContact C-N 3.31Å; L607-E609 PolarHBondContact O-N 2.91Å; E609-D611 PolarHBondContact O-N 3.32Å
610	A	47.9	Very low	62.4	Low	29 Å²	29	69.1 Å²	69.1	24%	0.24	34%	0.341	C	S	.	.	S	Bend	trans	-63	77.1	-177.9	0	0	0	0	0	111	R608	R608-A610 PolarHBondContact O-N 3.3Å
611	D	51.6	Low	63.7	Low	79 Å²	79	61.8 Å²	61.8	42%	0.422	31%	0.307	S	S	.	.			trans	-105.2	167.6	171.4	75.1	16	0	0	0	109.5	E609 S613 A614	E609-D611 PolarHBondContact O-N 3.32Å; D611-S613 VanDerWaalsContact CG-OG 3.28Å; D611-S613 PolarHBondContact O-N 3.02Å; D611-S613 VanDerWaalsContact O-N 3.15Å; D611-S613 VanDerWaalsContact OD1-CA 3.29Å; D611-S613 WeakPolarHBondContact OD1-CA 3.25Å; D611-S613 VanDerWaalsContact OD1-CB 3.29Å; D611-S613 WeakPolarHBondContact OD1-CB 3.42Å; D611-S613 PolarHBondContact OD1-N 3.17Å; D611-S613 PolarHBondContact OD1-OG 3.42Å; D611-S613 PolarHBondContact OD2-OG 3.4Å; D611-A614 PolarHBondContact O-N 3.36Å; D611-A614 VanDerWaalsContact O-N 3.16Å; D611-A614 WeakPolarHBondContact OD1-CB 3.44Å; D611-A614 PolarHBondContact OD1-N 3.21Å
612	E	52.3	Low	65.7	Low	157 Å²	157	54 Å²	54	73%	0.734	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.9	-179.9	-68.1	-172.6	156.3	0	0	112.8
613	S	62.4	Low	68	Low	69 Å²	69	49.6 Å²	49.6	48%	0.483	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.9	-179.9	88.4	0	0	0	0	113.3	R608 D611	R608-S613 PolarHBondContact NH1-O 3.15Å; D611-S613 VanDerWaalsContact CG-OG 3.28Å; D611-S613 PolarHBondContact O-N 3.02Å; D611-S613 VanDerWaalsContact O-N 3.15Å; D611-S613 VanDerWaalsContact OD1-CA 3.29Å; D611-S613 WeakPolarHBondContact OD1-CA 3.25Å; D611-S613 VanDerWaalsContact OD1-CB 3.29Å; D611-S613 WeakPolarHBondContact OD1-CB 3.42Å; D611-S613 PolarHBondContact OD1-N 3.17Å; D611-S613 PolarHBondContact OD1-OG 3.42Å; D611-S613 PolarHBondContact OD2-OG 3.4Å
614	A	72.7	Confident	70.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.5	-179.5	0	0	0	0	0	113	R608 D611 G616 F617 R618	R608-A614 HydrophobicContact CB-CB 3.91Å; R608-A614 HydrophobicContact CG-CB 4.5Å; D611-A614 PolarHBondContact O-N 3.36Å; D611-A614 VanDerWaalsContact O-N 3.16Å; D611-A614 WeakPolarHBondContact OD1-CB 3.44Å; D611-A614 PolarHBondContact OD1-N 3.21Å; A614-G616 PolarHBondContact O-N 2.79Å; A614-F617 PolarHBondContact O-N 3.38Å; A614-R618 WeakPolarHBondContact O-CG 3.48Å; A614-R618 PolarHBondContact O-N 3.33Å
615	F	81.6	Confident	72.3	Confident	12 Å²	12	50.4 Å²	50.4	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-54.1	-39.6	-176.2	177.7	-109.6	0	0	0	112.6	Q482 F483 K486 F617 R618 S619 P714 L717	Q482-F615 HydrophobicContact CB-CD2 4.3Å; Q482-F615 HydrophobicContact CB-CE2 4.15Å; F483-F615 HydrophobicContact CB-CE2 4.17Å; F483-F615 HydrophobicContact CB-CZ 4.28Å; F483-F615 AromaticContact CD2-CZ 3.99Å; F483-F615 HydrophobicContact CD2-CZ 3.99Å; K486-F615 HydrophobicContact CB-CD2 4.07Å; K486-F615 HydrophobicContact CB-CE2 4.34Å; K486-F615 HydrophobicContact CD-CB 4.27Å; K486-F615 HydrophobicContact CD-CD1 3.59Å; K486-F615 HydrophobicContact CD-CD2 3.86Å; K486-F615 HydrophobicContact CD-CE1 3.78Å; K486-F615 HydrophobicContact CD-CE2 4.08Å; K486-F615 HydrophobicContact CD-CG 3.61Å; K486-F615 HydrophobicContact CD-CZ 4.03Å; F615-F617 PolarHBondContact O-N 3.22Å; F615-R618 PolarHBondContact O-N 2.99Å; F615-S619 WeakPolarHBondContact O-CB 3.45Å; F615-S619 PolarHBondContact O-N 3Å; F615-S619 PolarHBondContact O-OG 3.32Å; F615-P714 HydrophobicContact CD1-CB 3.92Å; F615-P714 HydrophobicContact CE1-CB 3.75Å; F615-L717 HydrophobicContact CZ-CD2 3.99Å
616	G	83	Confident	74.2	Confident	10 Å²	10	49.8 Å²	49.8	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-54.1	-179.3	0	0	0	0	0	112.3	A614 R618 S619 I710 P714	A614-G616 PolarHBondContact O-N 2.79Å; G616-R618 PolarHBondContact O-N 3.13Å; G616-S619 PolarHBondContact O-OG 3.46Å; G616-I710 WeakPolarHBondContact CA-O 3.4Å; G616-P714 VanDerWaalsContact CA-CG 3.44Å
617	F	85.8	Confident	76.4	Confident	45 Å²	45	50 Å²	50	20%	0.197	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-36.6	176.4	179.6	-110.8	0	0	0	113.6	F560 A580 V581 A614 F615 I710	F560-F617 HydrophobicContact CE1-CE1 4.44Å; F560-F617 AromaticContact CZ-CD1 3.94Å; F560-F617 HydrophobicContact CZ-CD1 3.94Å; F560-F617 AromaticContact CZ-CE1 3.64Å; F560-F617 HydrophobicContact CZ-CE1 3.64Å; A580-F617 HydrophobicContact CB-CD2 3.9Å; A580-F617 HydrophobicContact CB-CE2 3.71Å; A580-F617 WeakPolarHBondContact O-CE2 3.4Å; V581-F617 WeakPolarHBondContact CG2-O 3.46Å; A614-F617 PolarHBondContact O-N 3.38Å; F615-F617 PolarHBondContact O-N 3.22Å; F617-I710 HydrophobicContact CD2-CD1 4.39Å; F617-I710 HydrophobicContact CD2-CG1 4.48Å
618	R	89.6	Confident	78.7	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-80	-19.7	-174.8	-69.1	171.7	163.4	-111.3	7.2	113.7	Q482 D557 F560 R608 A614 F615 G616 L621	Q482-R618 HydrophobicContact CG-CB 4.1Å; Q482-R618 WeakPolarHBondContact CG-O 3.35Å; D557-R618 IonicContact OD1-CZ 2.81Å; D557-R618 IonicContact OD1-NH1 3.45Å; D557-R618 PolarHBondContact OD1-NH1 2.98Å; D557-R618 IonicContact OD1-NH2 3.68Å; D557-R618 PolarHBondContact OD1-NH2 3.48Å; F560-R618 HydrophobicContact CD1-CG 4.3Å; F560-R618 HydrophobicContact CD2-CB 3.9Å; F560-R618 HydrophobicContact CD2-CG 3.78Å; F560-R618 HydrophobicContact CE1-CG 4.21Å; F560-R618 HydrophobicContact CE2-CB 3.98Å; F560-R618 HydrophobicContact CE2-CG 3.7Å; F560-R618 HydrophobicContact CG-CG 4.1Å; F560-R618 HydrophobicContact CZ-CG 3.92Å; R608-R618 PolarHBondContact O-NE 2.72Å; R608-R618 VanDerWaalsContact O-NE 3.1Å; R608-R618 PolarHBondContact O-NH2 3.49Å; A614-R618 WeakPolarHBondContact O-CG 3.48Å; A614-R618 PolarHBondContact O-N 3.33Å; F615-R618 PolarHBondContact O-N 2.99Å; G616-R618 PolarHBondContact O-N 3.13Å; R618-L621 WeakPolarHBondContact O-CD1 3.41Å
619	S	90.1	Very high	81	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-80.4	-15	-168.6	65.4	0	0	0	0	116	F615 G616 W713	F615-S619 WeakPolarHBondContact O-CB 3.45Å; F615-S619 PolarHBondContact O-N 3Å; F615-S619 PolarHBondContact O-OG 3.32Å; G616-S619 PolarHBondContact O-OG 3.46Å; S619-W713 PolarHBondContact O-NE1 3.24Å; S619-W713 VanDerWaalsContact OG-CD1 3.26Å
620	W	93.9	Very high	83.3	Confident	8 Å²	8	44.8 Å²	44.8	3%	0.03	23%	0.226	C	C	.	.			trans	-109.7	79.4	179.4	-172.1	-104.6	0	0	0	111.1	V581 D624 L626 E709 W713 L788	V581-W620 WeakPolarHBondContact CG2-O 3.41Å; W620-D624 PolarHBondContact NE1-O 3.33Å; W620-L626 HydrophobicContact CH2-CD1 3.66Å; W620-L626 HydrophobicContact CZ2-CB 4Å; W620-L626 HydrophobicContact CZ2-CD1 3.89Å; W620-L626 HydrophobicContact CZ2-CG 4.46Å; W620-L626 HydrophobicContact CZ3-CD1 4.07Å; W620-E709 HydrophobicContact CB-CB 4.31Å; W620-E709 HydrophobicContact CG-CB 4.35Å; W620-E709 HydrophobicContact CG-CG 4.23Å; W620-W713 AromaticContact CE3-CD1 3.77Å; W620-W713 AromaticContact CE3-CD2 3.74Å; W620-W713 HydrophobicContact CE3-CD2 3.74Å; W620-W713 AromaticContact CE3-CE2 3.58Å; W620-W713 HydrophobicContact CE3-CE3 4.45Å; W620-W713 AromaticContact CE3-CG 3.85Å; W620-W713 HydrophobicContact CE3-CG 3.85Å; W620-W713 HydrophobicContact CE3-CZ2 4.13Å; W620-W713 AromaticContact CE3-NE1 3.58Å; W620-W713 HydrophobicContact CZ3-CD2 4.03Å; W620-W713 AromaticContact CZ3-CE2 3.95Å; W620-W713 HydrophobicContact CZ3-CE3 4.31Å; W620-W713 HydrophobicContact CZ3-CH2 4.43Å; W620-W713 HydrophobicContact CZ3-CZ2 4.13Å; W620-L788 HydrophobicContact CH2-CB 4.09Å; W620-L788 HydrophobicContact CZ3-CB 4.12Å; W620-L788 HydrophobicContact CZ3-CD1 4.24Å
621	L	94.7	Very high	85.5	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.215	C	C	.	.			trans	-96.5	96.5	165.9	-57.2	101	0	0	0	108.5	L475 C478 S479 Q482 F560 L567 V581 R618	L475-L621 WeakPolarHBondContact CB-O 3.23Å; L475-L621 HydrophobicContact CD2-CB 4.29Å; C478-L621 HydrophobicContact CB-CD1 4.13Å; C478-L621 HydrophobicContact CB-CD2 4Å; C478-L621 HydrophobicContact CB-CG 4.48Å; S479-L621 WeakPolarHBondContact OG-CA 3.44Å; S479-L621 WeakPolarHBondContact OG-CB 3.39Å; S479-L621 PolarHBondContact OG-N 3.49Å; S479-L621 PolarHBondContact OG-O 2.98Å; Q482-L621 HydrophobicContact CG-CD1 4.31Å; F560-L621 HydrophobicContact CD2-CD1 4.3Å; F560-L621 HydrophobicContact CD2-CD2 4.07Å; F560-L621 HydrophobicContact CD2-CG 4.46Å; L567-L621 HydrophobicContact CD1-CB 4.09Å; V581-L621 HydrophobicContact CG1-CD2 4.33Å; V581-L621 HydrophobicContact CG1-CG 4.42Å; R618-L621 WeakPolarHBondContact O-CD1 3.41Å
622	S	95.2	Very high	87.6	Confident	18 Å²	18	41.2 Å²	41.2	13%	0.126	20%	0.203	C	C	.	.			trans	-142.5	149.7	-179.2	-177.7	0	0	0	0	110.2	L567 D624	L567-S622 WeakPolarHBondContact CD2-O 3.47Å; S622-D624 PolarHBondContact O-N 3.16Å; S622-D624 PolarHBondContact OG-N 3.47Å; S622-D624 VanDerWaalsContact OG-N 3.17Å
623	L	95.5	Very high	89.5	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-66.8	-25.6	170.4	-63.3	174.5	0	0	0	111.8	R439 L471 I472 L475 L567 L570 A576 D577	R439-L623 VanDerWaalsContact NH1-CB 3.28Å; L471-L623 HydrophobicContact CB-CD1 4.24Å; I472-L623 HydrophobicContact CG1-CD1 3.85Å; L475-L623 HydrophobicContact CD1-CD2 3.72Å; L475-L623 HydrophobicContact CD1-CG 3.75Å; L567-L623 HydrophobicContact CD2-CD2 4.02Å; L570-L623 HydrophobicContact CD1-CD2 3.67Å; A576-L623 HydrophobicContact CB-CD2 3.93Å; D577-L623 PolarHBondContact N-O 3.43Å
624	D	93.7	Very high	90.9	Very high	31 Å²	31	32.1 Å²	32.1	17%	0.166	16%	0.157	C	C	.	.	S	Bend	trans	-100.2	142.5	-174.9	-44.7	-38	0	0	0	111.1	R439 D577 W620 S622 R630	R439-D624 IonicContact CZ-OD1 3.96Å; R439-D624 IonicContact NH1-OD1 3.68Å; R439-D624 PolarHBondContact NH1-OD1 3.47Å; R439-D624 IonicContact NH2-OD1 2.77Å; D577-D624 WeakPolarHBondContact OD2-CA 3.37Å; W620-D624 PolarHBondContact NE1-O 3.33Å; S622-D624 PolarHBondContact O-N 3.16Å; S622-D624 PolarHBondContact OG-N 3.47Å; S622-D624 VanDerWaalsContact OG-N 3.17Å; D624-R630 IonicContact OD2-CZ 2.76Å; D624-R630 IonicContact OD2-NH1 3.6Å; D624-R630 PolarHBondContact OD2-NH1 3.39Å; D624-R630 IonicContact OD2-NH2 3.68Å; D624-R630 PolarHBondContact OD2-NH2 3.21Å
625	R	93	Very high	92	Very high	132 Å²	132	32 Å²	32	50%	0.498	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-68.2	140.8	165.5	-174.9	173.5	177.6	-176.4	-1.8	110.1	D577	D577-R625 HydrophobicContact CB-CB 3.92Å; D577-R625 PolarHBondContact OD2-N 3.13Å
626	L	93.5	Very high	92.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-76.9	130.9	176.8	-169.2	59.8	0	0	0	110.9	W620 L631 L708 E709 W713 L788	W620-L626 HydrophobicContact CH2-CD1 3.66Å; W620-L626 HydrophobicContact CZ2-CB 4Å; W620-L626 HydrophobicContact CZ2-CD1 3.89Å; W620-L626 HydrophobicContact CZ2-CG 4.46Å; W620-L626 HydrophobicContact CZ3-CD1 4.07Å; L626-L631 HydrophobicContact CD1-CD1 4.49Å; L626-L631 HydrophobicContact CD1-CD2 4.1Å; L626-L631 HydrophobicContact CD1-CG 3.89Å; L626-L631 HydrophobicContact CD2-CD1 3.76Å; L626-L631 HydrophobicContact CD2-CD2 3.92Å; L626-L631 HydrophobicContact CD2-CG 3.93Å; L626-L631 HydrophobicContact CG-CD1 3.93Å; L626-L631 HydrophobicContact CG-CD2 4.3Å; L626-L631 HydrophobicContact CG-CG 3.88Å; L626-L708 HydrophobicContact CD2-CB 4.3Å; L626-L708 HydrophobicContact CG-CB 4.47Å; L626-E709 HydrophobicContact CB-CG 3.82Å; L626-W713 HydrophobicContact CD2-CB 3.65Å; L626-W713 HydrophobicContact CD2-CG 4.32Å; L626-L788 HydrophobicContact CD1-CD1 4.19Å
627	T	93.4	Very high	93	Very high	70 Å²	70	36 Å²	36	43%	0.429	17%	0.171	S	C	.	.			trans	-111.6	153.5	177.4	66.9	0	0	0	0	111.2	E629 R630 L631	T627-E629 VanDerWaalsContact C-N 3.35Å; T627-E629 PolarHBondContact O-N 3.13Å; T627-R630 PolarHBondContact O-N 3.36Å; T627-R630 VanDerWaalsContact OG1-CB 3.29Å; T627-R630 WeakPolarHBondContact OG1-CB 3.48Å; T627-R630 PolarHBondContact OG1-N 2.88Å; T627-L631 PolarHBondContact O-N 3.39Å; T627-L631 VanDerWaalsContact O-N 3.14Å
628	E	94.1	Very high	93.4	Very high	55 Å²	55	33.9 Å²	33.9	26%	0.257	16%	0.162	S	C	.	.	H	α-helix	trans	-60	-44.7	177.2	-173.7	178.2	-171	0	0	111.7	R630 L631 I632 R683 L698 L708	E628-R630 VanDerWaalsContact C-N 3.31Å; E628-R630 PolarHBondContact O-N 3.38Å; E628-L631 PolarHBondContact O-N 2.88Å; E628-I632 HydrophobicContact CG-CD1 3.78Å; E628-I632 HydrophobicContact CG-CG1 4.41Å; E628-I632 WeakPolarHBondContact O-CG1 3.43Å; E628-I632 PolarHBondContact O-N 3.4Å; E628-R683 IonicContact OE1-CZ 2.69Å; E628-R683 IonicContact OE1-NH1 2.61Å; E628-R683 PolarHBondContact OE1-NH1 3.49Å; E628-R683 IonicContact OE1-NH2 3.67Å; E628-R683 PolarHBondContact OE1-NH2 2.88Å; E628-L698 HydrophobicContact CG-CD1 4.29Å; E628-L698 HydrophobicContact CG-CD2 3.79Å; E628-L698 HydrophobicContact CG-CG 4.09Å; E628-L698 VanDerWaalsContact OE1-CD2 3.26Å; E628-L698 WeakPolarHBondContact OE1-CD2 3.31Å; E628-L708 HydrophobicContact CB-CD1 4.28Å
629	E	92.9	Very high	93.7	Very high	160 Å²	160	33.7 Å²	33.7	75%	0.748	16%	0.161	S	C	*	.	H	α-helix	trans	-58.1	-42.5	177.4	-174	-175	173.5	0	0	112.1	T627 S633	T627-E629 VanDerWaalsContact C-N 3.35Å; T627-E629 PolarHBondContact O-N 3.13Å; E629-S633 VanDerWaalsContact O-CB 3.24Å; E629-S633 WeakPolarHBondContact O-CB 3.26Å; E629-S633 PolarHBondContact O-N 3.24Å
630	R	92.5	Very high	93.8	Very high	47 Å²	47	38.1 Å²	38.1	18%	0.177	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-43.8	178.8	-172.4	173.2	-177.5	167.6	-1.8	110.9	D624 T627 E628 S634 L788 V789	D624-R630 IonicContact OD2-CZ 2.76Å; D624-R630 IonicContact OD2-NH1 3.6Å; D624-R630 PolarHBondContact OD2-NH1 3.39Å; D624-R630 IonicContact OD2-NH2 3.68Å; D624-R630 PolarHBondContact OD2-NH2 3.21Å; T627-R630 PolarHBondContact O-N 3.36Å; T627-R630 VanDerWaalsContact OG1-CB 3.29Å; T627-R630 WeakPolarHBondContact OG1-CB 3.48Å; T627-R630 PolarHBondContact OG1-N 2.88Å; E628-R630 VanDerWaalsContact C-N 3.31Å; E628-R630 PolarHBondContact O-N 3.38Å; R630-S634 VanDerWaalsContact O-CB 3.28Å; R630-S634 WeakPolarHBondContact O-CB 3.15Å; R630-S634 PolarHBondContact O-N 2.8Å; R630-S634 PolarHBondContact O-OG 2.63Å; R630-L788 VanDerWaalsContact NH2-C 3.29Å; R630-L788 PolarHBondContact NH2-O 2.82Å; R630-V789 VanDerWaalsContact NH2-CA 3.31Å
631	L	94.5	Very high	93.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-53	175.7	-79	171.6	0	0	0	112	L626 T627 E628 S633 S634 V635 L686 L708 V712 W713 V716 L788	L626-L631 HydrophobicContact CD1-CD1 4.49Å; L626-L631 HydrophobicContact CD1-CD2 4.1Å; L626-L631 HydrophobicContact CD1-CG 3.89Å; L626-L631 HydrophobicContact CD2-CD1 3.76Å; L626-L631 HydrophobicContact CD2-CD2 3.92Å; L626-L631 HydrophobicContact CD2-CG 3.93Å; L626-L631 HydrophobicContact CG-CD1 3.93Å; L626-L631 HydrophobicContact CG-CD2 4.3Å; L626-L631 HydrophobicContact CG-CG 3.88Å; T627-L631 PolarHBondContact O-N 3.39Å; T627-L631 VanDerWaalsContact O-N 3.14Å; E628-L631 PolarHBondContact O-N 2.88Å; L631-S633 PolarHBondContact O-N 3Å; L631-S634 PolarHBondContact O-N 2.85Å; L631-S634 PolarHBondContact O-OG 3.15Å; L631-V635 PolarHBondContact O-N 2.9Å; L631-L686 HydrophobicContact CB-CD2 4.05Å; L631-L708 HydrophobicContact CD1-CB 4.13Å; L631-L708 HydrophobicContact CD1-CD1 4.48Å; L631-L708 HydrophobicContact CD1-CD2 4.11Å; L631-L708 HydrophobicContact CD1-CG 4.48Å; L631-V712 HydrophobicContact CD1-CB 4.18Å; L631-V712 HydrophobicContact CD1-CG1 3.7Å; L631-W713 HydrophobicContact CD2-CE3 4.32Å; L631-V716 HydrophobicContact CD2-CB 4.32Å; L631-V716 HydrophobicContact CD2-CG1 4.28Å; L631-V716 HydrophobicContact CD2-CG2 4.09Å; L631-L788 HydrophobicContact CD2-CD1 4.31Å
632	I	94.5	Very high	93.6	Very high	33 Å²	33	37.7 Å²	37.7	17%	0.169	18%	0.18	C	C	.	.	H	α-helix	trans	-56	-51.4	178.3	-70.6	171.4	0	0	0	110.8	E628 S634 V635 H636 R683 L686 L698	E628-I632 HydrophobicContact CG-CD1 3.78Å; E628-I632 HydrophobicContact CG-CG1 4.41Å; E628-I632 WeakPolarHBondContact O-CG1 3.43Å; E628-I632 PolarHBondContact O-N 3.4Å; I632-S634 VanDerWaalsContact C-N 3.32Å; I632-S634 PolarHBondContact O-N 2.98Å; I632-V635 PolarHBondContact O-N 3.43Å; I632-H636 WeakPolarHBondContact O-CB 3.46Å; I632-H636 PolarHBondContact O-N 3.21Å; I632-R683 HydrophobicContact CD1-CB 4.04Å; I632-R683 HydrophobicContact CD1-CG 4.03Å; I632-R683 HydrophobicContact CG1-CB 4.46Å; I632-L686 HydrophobicContact CG1-CD2 4.02Å; I632-L698 HydrophobicContact CD1-CD2 4.09Å; I632-L698 HydrophobicContact CG1-CD2 4.19Å
633	S	92.7	Very high	93.4	Very high	33 Å²	33	38.5 Å²	38.5	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-40.8	180	170.6	0	0	0	0	111.7	E629 L631 K637	E629-S633 VanDerWaalsContact O-CB 3.24Å; E629-S633 WeakPolarHBondContact O-CB 3.26Å; E629-S633 PolarHBondContact O-N 3.24Å; L631-S633 PolarHBondContact O-N 3Å; S633-K637 WeakPolarHBondContact O-CB 3.48Å; S633-K637 WeakPolarHBondContact O-CG 3.29Å; S633-K637 PolarHBondContact O-N 3.12Å; S633-K637 PolarHBondContact OG-NZ 2.83Å
634	S	92.9	Very high	93.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-45.4	-179.4	67.5	0	0	0	0	112.3	R630 L631 I632 S638 L788	R630-S634 VanDerWaalsContact O-CB 3.28Å; R630-S634 WeakPolarHBondContact O-CB 3.15Å; R630-S634 PolarHBondContact O-N 2.8Å; R630-S634 PolarHBondContact O-OG 2.63Å; L631-S634 PolarHBondContact O-N 2.85Å; L631-S634 PolarHBondContact O-OG 3.15Å; I632-S634 VanDerWaalsContact C-N 3.32Å; I632-S634 PolarHBondContact O-N 2.98Å; S634-S638 WeakPolarHBondContact O-CB 3.39Å; S634-S638 PolarHBondContact O-N 2.91Å; S634-S638 PolarHBondContact O-OG 3.02Å; S634-S638 VanDerWaalsContact O-OG 3.06Å; S634-L788 VanDerWaalsContact CB-CD2 3.48Å
635	V	94.3	Very high	93.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-54.1	177	169.1	0	0	0	0	110.2	L631 I632 K637 S638 L639 L686 I689 V716 F719	L631-V635 PolarHBondContact O-N 2.9Å; I632-V635 PolarHBondContact O-N 3.43Å; V635-K637 PolarHBondContact O-N 3.42Å; V635-S638 PolarHBondContact O-N 3.45Å; V635-S638 PolarHBondContact O-OG 3.15Å; V635-L639 HydrophobicContact CG1-CD1 4.09Å; V635-L639 WeakPolarHBondContact O-CG 3.4Å; V635-L639 PolarHBondContact O-N 3.05Å; V635-L686 HydrophobicContact CG2-CD1 4.16Å; V635-I689 HydrophobicContact CG1-CD1 3.68Å; V635-V716 HydrophobicContact CG2-CG1 3.99Å; V635-V716 HydrophobicContact CG2-CG2 4.11Å; V635-F719 HydrophobicContact CG1-CE1 4.33Å; V635-F719 HydrophobicContact CG1-CZ 4.48Å
636	H	94	Very high	93.3	Very high	36 Å²	36	34.3 Å²	34.3	17%	0.167	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-55.4	-177	-173.6	62.6	0	0	0	112.7	I632 S638 L639 E640 S680	I632-H636 WeakPolarHBondContact O-CB 3.46Å; I632-H636 PolarHBondContact O-N 3.21Å; H636-S638 VanDerWaalsContact C-N 3.28Å; H636-S638 PolarHBondContact O-N 3.13Å; H636-L639 WeakPolarHBondContact O-CB 3.45Å; H636-L639 PolarHBondContact O-N 3.36Å; H636-L639 VanDerWaalsContact O-N 3.15Å; H636-E640 IonicContact NE2-OE1 3.71Å; H636-E640 PolarHBondContact NE2-OE1 2.83Å; H636-E640 PolarHBondContact O-N 2.9Å; H636-E640 VanDerWaalsContact O-N 3.09Å; H636-S680 PolarHBondContact CE1-O 3.44Å
637	K	92.6	Very high	93.2	Very high	70 Å²	70	38.6 Å²	38.6	30%	0.304	19%	0.193	S	C	.	.	H	α-helix	trans	-70.2	-25.8	-177.5	-65	175.1	179	146.8	0	112.5	S633 V635 A641 S763	S633-K637 WeakPolarHBondContact O-CB 3.48Å; S633-K637 WeakPolarHBondContact O-CG 3.29Å; S633-K637 PolarHBondContact O-N 3.12Å; S633-K637 PolarHBondContact OG-NZ 2.83Å; V635-K637 PolarHBondContact O-N 3.42Å; K637-A641 VanDerWaalsContact O-CB 3.31Å; K637-A641 WeakPolarHBondContact O-CB 3.31Å; K637-A641 PolarHBondContact O-N 3.47Å; K637-S763 VanDerWaalsContact C-OG 3.22Å; K637-S763 WeakPolarHBondContact CB-OG 3.3Å; K637-S763 PolarHBondContact O-OG 3.02Å; K637-S763 VanDerWaalsContact O-OG 3.07Å
638	S	94.3	Very high	93.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-38.8	172.5	74.5	0	0	0	0	111.8	S634 V635 H636 A641 S642 L723	S634-S638 WeakPolarHBondContact O-CB 3.39Å; S634-S638 PolarHBondContact O-N 2.91Å; S634-S638 PolarHBondContact O-OG 3.02Å; S634-S638 VanDerWaalsContact O-OG 3.06Å; V635-S638 PolarHBondContact O-N 3.45Å; V635-S638 PolarHBondContact O-OG 3.15Å; H636-S638 VanDerWaalsContact C-N 3.28Å; H636-S638 PolarHBondContact O-N 3.13Å; S638-A641 PolarHBondContact O-N 3.47Å; S638-S642 WeakPolarHBondContact O-CB 3.34Å; S638-S642 PolarHBondContact O-N 2.91Å; S638-L723 VanDerWaalsContact CB-CD2 3.49Å; S638-L723 WeakPolarHBondContact O-CD2 3.43Å; S638-L723 WeakPolarHBondContact OG-CD2 3.32Å
639	L	94.3	Very high	93	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-44.3	174.6	-72.8	169.4	0	0	0	111.3	V635 H636 A641 S642 S643 M667 I673 L675 V678 F719 L723	V635-L639 HydrophobicContact CG1-CD1 4.09Å; V635-L639 WeakPolarHBondContact O-CG 3.4Å; V635-L639 PolarHBondContact O-N 3.05Å; H636-L639 WeakPolarHBondContact O-CB 3.45Å; H636-L639 PolarHBondContact O-N 3.36Å; H636-L639 VanDerWaalsContact O-N 3.15Å; L639-A641 PolarHBondContact O-N 3.17Å; L639-S642 PolarHBondContact O-N 3.05Å; L639-S643 PolarHBondContact O-N 3.45Å; L639-M667 HydrophobicContact CD2-CE 4.45Å; L639-I673 HydrophobicContact CD1-CG2 4.36Å; L639-I673 HydrophobicContact CD2-CG2 3.76Å; L639-L675 HydrophobicContact CD2-CD2 3.92Å; L639-V678 HydrophobicContact CB-CG1 3.73Å; L639-V678 HydrophobicContact CB-CG2 4.32Å; L639-V678 HydrophobicContact CD1-CG1 4.03Å; L639-V678 HydrophobicContact CG-CG1 4.44Å; L639-F719 HydrophobicContact CD1-CZ 4.37Å; L639-F719 HydrophobicContact CD2-CE2 4.15Å; L639-F719 HydrophobicContact CD2-CZ 3.62Å; L639-F719 HydrophobicContact CG-CZ 3.89Å; L639-L723 HydrophobicContact CD2-CD1 4.14Å
640	E	92.3	Very high	92.9	Very high	93 Å²	93	28.7 Å²	28.7	44%	0.435	15%	0.15	S	C	.	.	H	α-helix	trans	-57.9	-47.8	173	-67.1	-177.9	146	0	0	111.6	H636 S642 S643 I644	H636-E640 IonicContact NE2-OE1 3.71Å; H636-E640 PolarHBondContact NE2-OE1 2.83Å; H636-E640 PolarHBondContact O-N 2.9Å; H636-E640 VanDerWaalsContact O-N 3.09Å; E640-S642 VanDerWaalsContact C-N 3.29Å; E640-S642 PolarHBondContact O-N 3.28Å; E640-S643 PolarHBondContact O-N 2.88Å; E640-I644 WeakPolarHBondContact O-CG1 3.08Å; E640-I644 PolarHBondContact O-N 3.42Å
641	A	92.9	Very high	92.7	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-40.7	176.8	0	0	0	0	0	112	K637 S638 L639 I644 F645 F755 D759 L760	K637-A641 VanDerWaalsContact O-CB 3.31Å; K637-A641 WeakPolarHBondContact O-CB 3.31Å; K637-A641 PolarHBondContact O-N 3.47Å; S638-A641 PolarHBondContact O-N 3.47Å; L639-A641 PolarHBondContact O-N 3.17Å; A641-I644 PolarHBondContact O-N 2.86Å; A641-F645 WeakPolarHBondContact O-CB 3.26Å; A641-F645 PolarHBondContact O-N 3.29Å; A641-F755 HydrophobicContact CB-CD2 4.09Å; A641-F755 HydrophobicContact CB-CE2 3.76Å; A641-F755 WeakPolarHBondContact O-CD2 3.47Å; A641-D759 HydrophobicContact CB-CB 3.67Å; A641-L760 HydrophobicContact CB-CD2 4.34Å
642	S	93.1	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-42	177.7	-170.4	0	0	0	0	111.6	S638 L639 E640 I644 F645 I646 L723	S638-S642 WeakPolarHBondContact O-CB 3.34Å; S638-S642 PolarHBondContact O-N 2.91Å; L639-S642 PolarHBondContact O-N 3.05Å; E640-S642 VanDerWaalsContact C-N 3.29Å; E640-S642 PolarHBondContact O-N 3.28Å; S642-I644 PolarHBondContact O-N 3.34Å; S642-F645 PolarHBondContact O-N 3.34Å; S642-I646 WeakPolarHBondContact O-CB 3.33Å; S642-I646 WeakPolarHBondContact O-CD1 3.45Å; S642-I646 VanDerWaalsContact O-CG1 3.25Å; S642-I646 WeakPolarHBondContact O-CG1 3.31Å; S642-I646 PolarHBondContact O-N 3.39Å; S642-L723 WeakPolarHBondContact OG-CD1 3.37Å
643	S	90.8	Very high	92.2	Very high	35 Å²	35	35.8 Å²	35.8	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-59.8	-46.2	175.7	-169.3	0	0	0	0	111.4	L639 E640 F645 I646 Q647	L639-S643 PolarHBondContact O-N 3.45Å; E640-S643 PolarHBondContact O-N 2.88Å; S643-F645 VanDerWaalsContact C-N 3.34Å; S643-F645 PolarHBondContact O-N 3.12Å; S643-I646 PolarHBondContact O-N 2.76Å; S643-Q647 VanDerWaalsContact O-CG 3.32Å; S643-Q647 WeakPolarHBondContact O-CG 3.43Å; S643-Q647 PolarHBondContact O-N 2.84Å
644	I	91.4	Very high	92	Very high	75 Å²	75	41 Å²	41	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-45	175.1	-66.2	166	0	0	0	111.1	E640 A641 S642 Q647 A648	E640-I644 WeakPolarHBondContact O-CG1 3.08Å; E640-I644 PolarHBondContact O-N 3.42Å; A641-I644 PolarHBondContact O-N 2.86Å; S642-I644 PolarHBondContact O-N 3.34Å; I644-Q647 PolarHBondContact O-N 2.95Å; I644-A648 PolarHBondContact O-N 3.16Å
645	F	94.6	Very high	91.9	Very high	3 Å²	3	45 Å²	45	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-43.9	178.5	-179.7	-111.5	0	0	0	111.8	A641 S642 S643 A648 I649 V726 R727 I730 A751 F755	A641-F645 WeakPolarHBondContact O-CB 3.26Å; A641-F645 PolarHBondContact O-N 3.29Å; S642-F645 PolarHBondContact O-N 3.34Å; S643-F645 VanDerWaalsContact C-N 3.34Å; S643-F645 PolarHBondContact O-N 3.12Å; F645-A648 WeakPolarHBondContact O-CB 3.42Å; F645-A648 PolarHBondContact O-N 2.9Å; F645-I649 HydrophobicContact CD1-CD1 4.19Å; F645-I649 HydrophobicContact CE1-CD1 3.92Å; F645-I649 HydrophobicContact CE2-CG2 4.16Å; F645-I649 HydrophobicContact CZ-CD1 4.48Å; F645-I649 HydrophobicContact CZ-CG2 4.19Å; F645-I649 WeakPolarHBondContact O-CG1 3.19Å; F645-I649 PolarHBondContact O-N 2.89Å; F645-V726 HydrophobicContact CD1-CG1 4.08Å; F645-V726 HydrophobicContact CE1-CG1 3.99Å; F645-R727 HydrophobicContact CE1-CB 3.81Å; F645-R727 HydrophobicContact CE1-CG 4.4Å; F645-R727 HydrophobicContact CE2-CG 4.43Å; F645-R727 HydrophobicContact CZ-CB 3.84Å; F645-R727 HydrophobicContact CZ-CG 3.93Å; F645-I730 HydrophobicContact CE1-CD1 3.78Å; F645-I730 HydrophobicContact CZ-CD1 3.62Å; F645-A751 HydrophobicContact CD2-CB 4.11Å; F645-A751 HydrophobicContact CE2-CB 3.93Å; F645-F755 HydrophobicContact CB-CB 4.29Å; F645-F755 HydrophobicContact CB-CD2 3.77Å; F645-F755 HydrophobicContact CB-CE2 4.25Å; F645-F755 HydrophobicContact CB-CG 3.99Å; F645-F755 HydrophobicContact CD1-CD1 4.46Å; F645-F755 HydrophobicContact CD2-CB 3.69Å; F645-F755 HydrophobicContact CD2-CD1 4.4Å; F645-F755 HydrophobicContact CD2-CG 4.03Å; F645-F755 HydrophobicContact CE2-CB 4.3Å; F645-F755 HydrophobicContact CG-CB 4.12Å; F645-F755 HydrophobicContact CG-CD1 4.24Å; F645-F755 HydrophobicContact CG-CD2 4.23Å; F645-F755 AromaticContact CG-CG 3.95Å; F645-F755 HydrophobicContact CG-CG 3.95Å
646	I	93	Very high	91.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-45.7	178	-72.3	164.7	0	0	0	111.7	S642 S643 A648 I649 I650 V660 F663 L675 F676	S642-I646 WeakPolarHBondContact O-CB 3.33Å; S642-I646 WeakPolarHBondContact O-CD1 3.45Å; S642-I646 VanDerWaalsContact O-CG1 3.25Å; S642-I646 WeakPolarHBondContact O-CG1 3.31Å; S642-I646 PolarHBondContact O-N 3.39Å; S643-I646 PolarHBondContact O-N 2.76Å; I646-A648 PolarHBondContact O-N 3.33Å; I646-I649 WeakPolarHBondContact O-CG1 3.36Å; I646-I649 PolarHBondContact O-N 3.2Å; I646-I649 VanDerWaalsContact O-N 3.08Å; I646-I650 WeakPolarHBondContact O-CB 3.41Å; I646-I650 PolarHBondContact O-N 2.74Å; I646-V660 HydrophobicContact CG2-CB 4.42Å; I646-V660 HydrophobicContact CG2-CG1 3.44Å; I646-V660 VanDerWaalsContact CG2-CG1 3.44Å; I646-V660 HydrophobicContact CG2-CG2 4.04Å; I646-F663 HydrophobicContact CD1-CD1 4.11Å; I646-F663 HydrophobicContact CD1-CE1 3.96Å; I646-L675 HydrophobicContact CD1-CB 4.32Å; I646-L675 HydrophobicContact CD1-CD1 3.7Å; I646-L675 HydrophobicContact CD1-CG 4.46Å; I646-F676 HydrophobicContact CG2-CE1 4.27Å
647	Q	91.1	Very high	91.7	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-32.1	177.7	-68.7	-61.5	-27.2	0	0	112.2	S643 I644 I649	S643-Q647 VanDerWaalsContact O-CG 3.32Å; S643-Q647 WeakPolarHBondContact O-CG 3.43Å; S643-Q647 PolarHBondContact O-N 2.84Å; I644-Q647 PolarHBondContact O-N 2.95Å; Q647-I649 VanDerWaalsContact C-N 3.33Å; Q647-I649 PolarHBondContact O-N 3.43Å
648	A	91.5	Very high	91.8	Very high	49 Å²	49	51.8 Å²	51.8	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-73	-21.5	177.2	0	0	0	0	0	113.9	I644 F645 I646 A751	I644-A648 PolarHBondContact O-N 3.16Å; F645-A648 WeakPolarHBondContact O-CB 3.42Å; F645-A648 PolarHBondContact O-N 2.9Å; I646-A648 PolarHBondContact O-N 3.33Å; A648-A751 HydrophobicContact CB-CB 4.1Å
649	I	92.5	Very high	91.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-109.2	-29.1	-173.4	63	176.5	0	0	0	113.4	F645 I646 Q647 H651 E652 F656 V660 V726 I730 L748 A751	F645-I649 HydrophobicContact CD1-CD1 4.19Å; F645-I649 HydrophobicContact CE1-CD1 3.92Å; F645-I649 HydrophobicContact CE2-CG2 4.16Å; F645-I649 HydrophobicContact CZ-CD1 4.48Å; F645-I649 HydrophobicContact CZ-CG2 4.19Å; F645-I649 WeakPolarHBondContact O-CG1 3.19Å; F645-I649 PolarHBondContact O-N 2.89Å; I646-I649 WeakPolarHBondContact O-CG1 3.36Å; I646-I649 PolarHBondContact O-N 3.2Å; I646-I649 VanDerWaalsContact O-N 3.08Å; Q647-I649 VanDerWaalsContact C-N 3.33Å; Q647-I649 PolarHBondContact O-N 3.43Å; I649-H651 PolarHBondContact O-N 2.92Å; I649-H651 VanDerWaalsContact O-N 3.12Å; I649-E652 WeakPolarHBondContact O-CB 3.41Å; I649-E652 PolarHBondContact O-N 3.36Å; I649-F656 WeakPolarHBondContact O-CB 3.3Å; I649-V660 HydrophobicContact CD1-CG2 3.58Å; I649-V660 HydrophobicContact CG1-CG2 3.82Å; I649-V726 HydrophobicContact CD1-CG2 4.17Å; I649-I730 HydrophobicContact CB-CD1 4.06Å; I649-I730 HydrophobicContact CD1-CD1 3.26Å; I649-I730 HydrophobicContact CG1-CD1 4.19Å; I649-I730 HydrophobicContact CG2-CD1 3.77Å; I649-L748 HydrophobicContact CB-CD2 4.3Å; I649-L748 HydrophobicContact CG2-CD2 3.88Å; I649-A751 HydrophobicContact CG2-CB 4.4Å
650	I	90.9	Very high	91.7	Very high	27 Å²	27	53.1 Å²	53.1	14%	0.138	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.2	-171	-163.1	175.4	0	0	0	112.8	I646 K657 V660 F676	I646-I650 WeakPolarHBondContact O-CB 3.41Å; I646-I650 PolarHBondContact O-N 2.74Å; I650-K657 HydrophobicContact CG1-CB 4.36Å; I650-K657 HydrophobicContact CG1-CG 4.18Å; I650-V660 HydrophobicContact CB-CG2 4.44Å; I650-V660 HydrophobicContact CD1-CG1 4.01Å; I650-V660 HydrophobicContact CG1-CB 4.45Å; I650-V660 HydrophobicContact CG1-CG1 4.29Å; I650-F676 HydrophobicContact CD1-CE1 4.32Å; I650-F676 HydrophobicContact CD1-CZ 4.44Å
651	H	88.7	Confident	91.7	Very high	154 Å²	154	52.1 Å²	52.1	71%	0.713	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.5	-179	-61.4	-56.1	0	0	0	114.4	I649 G653	I649-H651 PolarHBondContact O-N 2.92Å; I649-H651 VanDerWaalsContact O-N 3.12Å; H651-G653 VanDerWaalsContact C-N 3.32Å; H651-G653 PolarHBondContact O-N 3.22Å
652	E	89.6	Confident	91.7	Very high	42 Å²	42	56.2 Å²	56.2	20%	0.196	30%	0.303	C	S	.	.	S	Bend	trans	-81.5	-9.2	-177.9	-66.7	-66.6	152.2	0	0	113.5	I649 F656 C744 R747 L748	I649-E652 WeakPolarHBondContact O-CB 3.41Å; I649-E652 PolarHBondContact O-N 3.36Å; E652-F656 HydrophobicContact CB-CD2 3.62Å; E652-F656 HydrophobicContact CB-CE2 3.98Å; E652-F656 HydrophobicContact CB-CG 4.3Å; E652-C744 PolarHBondContact OE2-SG 2.9Å; E652-R747 IonicContact OE1-CZ 3.57Å; E652-R747 IonicContact OE1-NE 2.74Å; E652-R747 PolarHBondContact OE1-NE 2.9Å; E652-R747 IonicContact OE1-NH2 3.55Å; E652-R747 IonicContact OE2-CZ 3.45Å; E652-R747 IonicContact OE2-NE 3.35Å; E652-R747 PolarHBondContact OE2-NE 3.41Å; E652-R747 IonicContact OE2-NH2 2.75Å; E652-R747 PolarHBondContact OE2-NH2 3.04Å; E652-L748 HydrophobicContact CB-CD2 4.32Å; E652-L748 HydrophobicContact CG-CD2 3.96Å; E652-L748 HydrophobicContact CG-CG 4.4Å
653	G	87.8	Confident	91.7	Very high	33 Å²	33	56.8 Å²	56.8	34%	0.34	31%	0.306	S	S	.	.			trans	150.1	167.2	175	0	0	0	0	0	113.9	H651 T655 F656 K657	H651-G653 VanDerWaalsContact C-N 3.32Å; H651-G653 PolarHBondContact O-N 3.22Å; G653-T655 VanDerWaalsContact C-N 3.3Å; G653-T655 PolarHBondContact O-N 2.94Å; G653-F656 PolarHBondContact O-N 3.13Å; G653-K657 PolarHBondContact O-N 3.31Å; G653-K657 VanDerWaalsContact O-N 3.09Å
654	D	89.4	Confident	91.8	Very high	144 Å²	144	55.9 Å²	55.9	77%	0.77	30%	0.3	S	S	*	.	H	α-helix	trans	-58.5	-38.6	-174.8	-66.4	-32.5	0	0	0	113.1	F656 K657 E658	D654-F656 VanDerWaalsContact C-N 3.3Å; D654-F656 PolarHBondContact O-N 3.4Å; D654-K657 WeakPolarHBondContact O-CB 3.41Å; D654-K657 PolarHBondContact O-N 3.24Å; D654-E658 PolarHBondContact O-N 3.02Å
655	T	89.9	Confident	91.9	Very high	84 Å²	84	56.2 Å²	56.2	52%	0.515	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-39.3	176.2	-52.4	0	0	0	0	112.2	G653 I659	G653-T655 VanDerWaalsContact C-N 3.3Å; G653-T655 PolarHBondContact O-N 2.94Å; T655-I659 HydrophobicContact CG2-CD1 4.24Å; T655-I659 WeakPolarHBondContact O-CD1 3.15Å; T655-I659 VanDerWaalsContact O-CG1 3.24Å; T655-I659 WeakPolarHBondContact O-CG1 3.43Å; T655-I659 PolarHBondContact O-N 3.01Å; T655-I659 VanDerWaalsContact O-N 3.14Å
656	F	92.2	Very high	91.8	Very high	15 Å²	15	59 Å²	59	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-74.3	-36.1	179.2	-60.2	-68.8	0	0	0	111.6	I649 E652 G653 D654 I659 V660 I730 I739 L748	I649-F656 WeakPolarHBondContact O-CB 3.3Å; E652-F656 HydrophobicContact CB-CD2 3.62Å; E652-F656 HydrophobicContact CB-CE2 3.98Å; E652-F656 HydrophobicContact CB-CG 4.3Å; G653-F656 PolarHBondContact O-N 3.13Å; D654-F656 VanDerWaalsContact C-N 3.3Å; D654-F656 PolarHBondContact O-N 3.4Å; F656-I659 HydrophobicContact CD1-CD1 4.44Å; F656-I659 PolarHBondContact O-N 3.15Å; F656-V660 WeakPolarHBondContact O-CG2 3.3Å; F656-V660 PolarHBondContact O-N 3.39Å; F656-I730 HydrophobicContact CD1-CG1 4.5Å; F656-I739 HydrophobicContact CE1-CD1 4.41Å; F656-I739 HydrophobicContact CZ-CD1 3.73Å; F656-I739 HydrophobicContact CZ-CG1 4.32Å; F656-L748 HydrophobicContact CE1-CD1 3.82Å; F656-L748 HydrophobicContact CE1-CD2 4.29Å; F656-L748 HydrophobicContact CE2-CD1 4.01Å; F656-L748 HydrophobicContact CZ-CD1 3.39Å; F656-L748 HydrophobicContact CZ-CD2 4.45Å
657	K	92.9	Very high	91.8	Very high	104 Å²	104	59 Å²	59	45%	0.452	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-46.5	171.7	-175.6	-179.9	175.5	-175	0	111.5	I650 G653 D654 I659 V660 D661	I650-K657 HydrophobicContact CG1-CB 4.36Å; I650-K657 HydrophobicContact CG1-CG 4.18Å; G653-K657 PolarHBondContact O-N 3.31Å; G653-K657 VanDerWaalsContact O-N 3.09Å; D654-K657 WeakPolarHBondContact O-CB 3.41Å; D654-K657 PolarHBondContact O-N 3.24Å; K657-I659 VanDerWaalsContact C-N 3.33Å; K657-I659 PolarHBondContact O-N 2.57Å; K657-V660 WeakPolarHBondContact O-CB 3.34Å; K657-V660 PolarHBondContact O-N 3.03Å; K657-V660 VanDerWaalsContact O-N 3.16Å; K657-D661 WeakPolarHBondContact O-CB 3.5Å; K657-D661 VanDerWaalsContact O-CG 3.26Å; K657-D661 PolarHBondContact O-N 2.99Å
658	E	93.5	Very high	91.9	Very high	130 Å²	130	58.8 Å²	58.8	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-40.1	177.1	-174.3	178.9	-171.4	0	0	112.5	D654 D661 T662	D654-E658 PolarHBondContact O-N 3.02Å; E658-D661 PolarHBondContact O-N 2.85Å; E658-T662 WeakPolarHBondContact O-CB 3.47Å; E658-T662 PolarHBondContact O-N 3.35Å; E658-T662 PolarHBondContact O-OG1 3.12Å
659	I	93.2	Very high	92.1	Very high	28 Å²	28	63.9 Å²	63.9	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-44.6	174.8	-69.5	162.4	0	0	0	110.9	T655 F656 K657 F663 V726 T729 I733	T655-I659 HydrophobicContact CG2-CD1 4.24Å; T655-I659 WeakPolarHBondContact O-CD1 3.15Å; T655-I659 VanDerWaalsContact O-CG1 3.24Å; T655-I659 WeakPolarHBondContact O-CG1 3.43Å; T655-I659 PolarHBondContact O-N 3.01Å; T655-I659 VanDerWaalsContact O-N 3.14Å; F656-I659 HydrophobicContact CD1-CD1 4.44Å; F656-I659 PolarHBondContact O-N 3.15Å; K657-I659 VanDerWaalsContact C-N 3.33Å; K657-I659 PolarHBondContact O-N 2.57Å; I659-F663 VanDerWaalsContact O-CB 3.26Å; I659-F663 WeakPolarHBondContact O-CB 3.42Å; I659-F663 PolarHBondContact O-N 2.82Å; I659-V726 HydrophobicContact CG2-CG2 4.17Å; I659-T729 HydrophobicContact CD1-CG2 4.17Å; I659-T729 HydrophobicContact CG1-CG2 4.37Å; I659-T729 HydrophobicContact CG2-CG2 4.07Å; I659-I733 HydrophobicContact CD1-CD1 3.31Å
660	V	93.6	Very high	92.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-46.9	177.2	166.3	0	0	0	0	111.1	I646 I649 I650 F656 K657 T662 F663 A664 F676	I646-V660 HydrophobicContact CG2-CB 4.42Å; I646-V660 HydrophobicContact CG2-CG1 3.44Å; I646-V660 VanDerWaalsContact CG2-CG1 3.44Å; I646-V660 HydrophobicContact CG2-CG2 4.04Å; I649-V660 HydrophobicContact CD1-CG2 3.58Å; I649-V660 HydrophobicContact CG1-CG2 3.82Å; I650-V660 HydrophobicContact CB-CG2 4.44Å; I650-V660 HydrophobicContact CD1-CG1 4.01Å; I650-V660 HydrophobicContact CG1-CB 4.45Å; I650-V660 HydrophobicContact CG1-CG1 4.29Å; F656-V660 WeakPolarHBondContact O-CG2 3.3Å; F656-V660 PolarHBondContact O-N 3.39Å; K657-V660 WeakPolarHBondContact O-CB 3.34Å; K657-V660 PolarHBondContact O-N 3.03Å; K657-V660 VanDerWaalsContact O-N 3.16Å; V660-T662 VanDerWaalsContact C-N 3.34Å; V660-T662 PolarHBondContact O-N 2.78Å; V660-F663 PolarHBondContact O-N 3.19Å; V660-A664 WeakPolarHBondContact O-CB 3.45Å; V660-A664 PolarHBondContact O-N 3.06Å; V660-F676 HydrophobicContact CG1-CZ 3.92Å
661	D	93.5	Very high	92.3	Very high	72 Å²	72	66.7 Å²	66.7	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-41.6	-179.1	-69.3	-19.4	0	0	0	111	K657 E658 A664 C665	K657-D661 WeakPolarHBondContact O-CB 3.5Å; K657-D661 VanDerWaalsContact O-CG 3.26Å; K657-D661 PolarHBondContact O-N 2.99Å; E658-D661 PolarHBondContact O-N 2.85Å; D661-A664 PolarHBondContact O-N 3.23Å; D661-C665 WeakPolarHBondContact O-CB 3.28Å; D661-C665 PolarHBondContact O-N 3.38Å
662	T	93.3	Very high	92.5	Very high	89 Å²	89	60.2 Å²	60.2	55%	0.546	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-45.5	174.3	-57.5	0	0	0	0	111.1	E658 V660 C665 E666	E658-T662 WeakPolarHBondContact O-CB 3.47Å; E658-T662 PolarHBondContact O-N 3.35Å; E658-T662 PolarHBondContact O-OG1 3.12Å; V660-T662 VanDerWaalsContact C-N 3.34Å; V660-T662 PolarHBondContact O-N 2.78Å; T662-C665 PolarHBondContact O-N 3.15Å; T662-E666 PolarHBondContact O-N 3.29Å
663	F	93.2	Very high	92.7	Very high	13 Å²	13	58.7 Å²	58.7	6%	0.057	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-44.2	178.5	173.6	-116.5	0	0	0	112.3	I646 I659 V660 C665 E666 M667 L675 I722 L723 V726	I646-F663 HydrophobicContact CD1-CD1 4.11Å; I646-F663 HydrophobicContact CD1-CE1 3.96Å; I659-F663 VanDerWaalsContact O-CB 3.26Å; I659-F663 WeakPolarHBondContact O-CB 3.42Å; I659-F663 PolarHBondContact O-N 2.82Å; V660-F663 PolarHBondContact O-N 3.19Å; F663-C665 PolarHBondContact O-N 3.43Å; F663-E666 PolarHBondContact O-N 2.87Å; F663-M667 HydrophobicContact CD2-CG 4.15Å; F663-M667 HydrophobicContact CE1-CG 4.23Å; F663-M667 HydrophobicContact CE2-CG 3.62Å; F663-M667 HydrophobicContact CE2-SD 3.91Å; F663-M667 HydrophobicContact CZ-CG 3.67Å; F663-M667 HydrophobicContact CZ-SD 3.99Å; F663-M667 WeakPolarHBondContact O-CG 3.08Å; F663-M667 PolarHBondContact O-N 3.08Å; F663-L675 HydrophobicContact CD1-CD1 3.62Å; F663-L675 HydrophobicContact CE1-CD1 3.26Å; F663-L675 HydrophobicContact CZ-CD1 4Å; F663-I722 HydrophobicContact CE2-CG2 4.11Å; F663-I722 WeakPolarHBondContact CE2-O 3.31Å; F663-L723 HydrophobicContact CZ-CD1 4.27Å; F663-V726 HydrophobicContact CB-CB 4.4Å; F663-V726 HydrophobicContact CB-CG2 4.3Å; F663-V726 HydrophobicContact CD1-CB 3.82Å; F663-V726 HydrophobicContact CD1-CG1 4.04Å; F663-V726 HydrophobicContact CD1-CG2 4Å; F663-V726 HydrophobicContact CD2-CB 4.06Å; F663-V726 HydrophobicContact CE1-CB 4.07Å; F663-V726 HydrophobicContact CE1-CG1 3.79Å; F663-V726 HydrophobicContact CE2-CB 4.33Å; F663-V726 HydrophobicContact CE2-CG1 4.47Å; F663-V726 HydrophobicContact CG-CB 3.81Å; F663-V726 HydrophobicContact CG-CG1 4.45Å; F663-V726 HydrophobicContact CG-CG2 4.12Å; F663-V726 HydrophobicContact CZ-CB 4.33Å; F663-V726 HydrophobicContact CZ-CG1 4.05Å
664	A	92.8	Very high	92.8	Very high	15 Å²	15	60.4 Å²	60.4	12%	0.124	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-41.2	176.7	0	0	0	0	0	112.2	V660 D661 E666 M667 Q668 L675 F676	V660-A664 WeakPolarHBondContact O-CB 3.45Å; V660-A664 PolarHBondContact O-N 3.06Å; D661-A664 PolarHBondContact O-N 3.23Å; A664-E666 VanDerWaalsContact C-N 3.34Å; A664-E666 PolarHBondContact O-N 2.84Å; A664-M667 PolarHBondContact O-N 2.99Å; A664-Q668 WeakPolarHBondContact O-CB 3.43Å; A664-Q668 PolarHBondContact O-N 3.26Å; A664-L675 HydrophobicContact CB-CD1 4.4Å; A664-F676 HydrophobicContact CB-CE2 3.8Å
665	C	93.5	Very high	92.6	Very high	82 Å²	82	53.6 Å²	53.6	55%	0.554	28%	0.279	S	S	*	.	H	α-helix	trans	-59.5	-44.3	173.5	-174.2	0	0	0	0	111.8	D661 T662 F663 Q668 K669	D661-C665 WeakPolarHBondContact O-CB 3.28Å; D661-C665 PolarHBondContact O-N 3.38Å; T662-C665 PolarHBondContact O-N 3.15Å; F663-C665 PolarHBondContact O-N 3.43Å; C665-Q668 PolarHBondContact O-N 2.95Å; C665-K669 VanDerWaalsContact O-CB 3.27Å; C665-K669 WeakPolarHBondContact O-CB 3.47Å; C665-K669 PolarHBondContact O-N 3.25Å
666	E	92.4	Very high	92.4	Very high	63 Å²	63	54.6 Å²	54.6	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-40.1	179.4	-161.9	61.2	-144.1	0	0	112.2	T662 F663 A664 K669 Q670	T662-E666 PolarHBondContact O-N 3.29Å; F663-E666 PolarHBondContact O-N 2.87Å; A664-E666 VanDerWaalsContact C-N 3.34Å; A664-E666 PolarHBondContact O-N 2.84Å; E666-K669 PolarHBondContact O-N 3.41Å; E666-Q670 HydrophobicContact CG-CG 4.22Å; E666-Q670 WeakPolarHBondContact O-CB 3.43Å; E666-Q670 PolarHBondContact O-N 3.39Å; E666-Q670 VanDerWaalsContact OE1-CD 3.27Å; E666-Q670 WeakPolarHBondContact OE1-CG 3.29Å; E666-Q670 PolarHBondContact OE1-NE2 3.22Å
667	M	92.9	Very high	92.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-44.3	176.6	-72.5	-68.9	-65.7	0	0	112.4	L639 F663 A664 K669 Y671 G672 I673 L675 F719 I722 L723	L639-M667 HydrophobicContact CD2-CE 4.45Å; F663-M667 HydrophobicContact CD2-CG 4.15Å; F663-M667 HydrophobicContact CE1-CG 4.23Å; F663-M667 HydrophobicContact CE2-CG 3.62Å; F663-M667 HydrophobicContact CE2-SD 3.91Å; F663-M667 HydrophobicContact CZ-CG 3.67Å; F663-M667 HydrophobicContact CZ-SD 3.99Å; F663-M667 WeakPolarHBondContact O-CG 3.08Å; F663-M667 PolarHBondContact O-N 3.08Å; A664-M667 PolarHBondContact O-N 2.99Å; M667-K669 VanDerWaalsContact C-N 3.32Å; M667-K669 PolarHBondContact O-N 2.91Å; M667-Y671 WeakPolarHBondContact O-CA 3.42Å; M667-Y671 WeakPolarHBondContact O-CB 3.3Å; M667-Y671 PolarHBondContact O-N 3.22Å; M667-Y671 HydrophobicContact SD-CD2 4.06Å; M667-G672 PolarHBondContact O-N 3.07Å; M667-I673 CarbonylContact C-O 3.56Å; M667-I673 PolarHBondContact O-N 3.22Å; M667-L675 HydrophobicContact CB-CD1 4.14Å; M667-L675 HydrophobicContact CB-CG 4.33Å; M667-L675 HydrophobicContact CE-CD2 4.38Å; M667-L675 HydrophobicContact CG-CD1 3.88Å; M667-L675 HydrophobicContact CG-CG 4.43Å; M667-F719 HydrophobicContact CE-CD2 3.96Å; M667-F719 HydrophobicContact CE-CE2 3.35Å; M667-F719 HydrophobicContact CE-CZ 4.13Å; M667-I722 HydrophobicContact SD-CB 4.41Å; M667-I722 HydrophobicContact SD-CG2 3.59Å; M667-I722 VanDerWaalsContact SD-CG2 3.59Å; M667-L723 HydrophobicContact CE-CD1 3.77Å
668	Q	93.5	Very high	91.7	Very high	90 Å²	90	56.1 Å²	56.1	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-40.4	175.6	-176.1	60.3	55.8	0	0	111.4	A664 C665 G672 I673	A664-Q668 WeakPolarHBondContact O-CB 3.43Å; A664-Q668 PolarHBondContact O-N 3.26Å; C665-Q668 PolarHBondContact O-N 2.95Å; Q668-G672 PolarHBondContact NE2-O 3.21Å; Q668-G672 WeakPolarHBondContact O-CA 3.4Å; Q668-G672 PolarHBondContact O-N 3.41Å; Q668-I673 WeakPolarHBondContact CA-O 3.35Å; Q668-I673 PolarHBondContact N-O 3.24Å; Q668-I673 VanDerWaalsContact OE1-C 3.29Å; Q668-I673 PolarHBondContact OE1-O 2.91Å
669	K	93.7	Very high	91.2	Very high	156 Å²	156	54.5 Å²	54.5	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-73.3	-45.4	-177.1	-176.6	-175.3	173.9	-168.3	0	113.3	C665 E666 M667	C665-K669 VanDerWaalsContact O-CB 3.27Å; C665-K669 WeakPolarHBondContact O-CB 3.47Å; C665-K669 PolarHBondContact O-N 3.25Å; E666-K669 PolarHBondContact O-N 3.41Å; M667-K669 VanDerWaalsContact C-N 3.32Å; M667-K669 PolarHBondContact O-N 2.91Å
670	Q	93.6	Very high	90.8	Very high	74 Å²	74	58.4 Å²	58.4	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-83.8	-33.1	-175.8	-68	-164.8	11.9	0	0	113.2	E666 T692	E666-Q670 HydrophobicContact CG-CG 4.22Å; E666-Q670 WeakPolarHBondContact O-CB 3.43Å; E666-Q670 PolarHBondContact O-N 3.39Å; E666-Q670 VanDerWaalsContact OE1-CD 3.27Å; E666-Q670 WeakPolarHBondContact OE1-CG 3.29Å; E666-Q670 PolarHBondContact OE1-NE2 3.22Å; Q670-T692 WeakPolarHBondContact O-CG2 3.47Å
671	Y	94.9	Very high	90.7	Very high	12 Å²	12	61.5 Å²	61.5	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-125.7	-6.7	-168.9	-61.9	-71	0	0	0	114.1	M667 I673 I689 T692 T693 F719 I722	M667-Y671 WeakPolarHBondContact O-CA 3.42Å; M667-Y671 WeakPolarHBondContact O-CB 3.3Å; M667-Y671 PolarHBondContact O-N 3.22Å; M667-Y671 HydrophobicContact SD-CD2 4.06Å; Y671-I673 PolarHBondContact O-N 3.07Å; Y671-I689 HydrophobicContact CD1-CG2 4Å; Y671-T692 PolarHBondContact O-OG1 3.48Å; Y671-T693 HydrophobicContact CD1-CG2 3.85Å; Y671-T693 HydrophobicContact CE1-CG2 3.93Å; Y671-F719 HydrophobicContact CD1-CB 4.21Å; Y671-F719 HydrophobicContact CD1-CD2 4.08Å; Y671-F719 HydrophobicContact CD2-CD2 4.09Å; Y671-F719 HydrophobicContact CE1-CB 3.8Å; Y671-F719 HydrophobicContact CE1-CD2 4.41Å; Y671-F719 HydrophobicContact CE2-CD2 4.46Å; Y671-F719 AromaticContact CG-CD2 3.9Å; Y671-F719 HydrophobicContact CG-CD2 3.9Å; Y671-F719 PolarHBondContact OH-N 3.18Å; Y671-I722 HydrophobicContact CE2-CB 4.02Å; Y671-I722 HydrophobicContact CE2-CG1 3.91Å; Y671-I722 HydrophobicContact CE2-CG2 4.15Å
672	G	92.8	Very high	90.5	Very high	19 Å²	19	58.3 Å²	58.3	20%	0.196	31%	0.314	C	S	.	.			trans	76.3	11.1	179.3	0	0	0	0	0	113.9	M667 Q668	M667-G672 PolarHBondContact O-N 3.07Å; Q668-G672 PolarHBondContact NE2-O 3.21Å; Q668-G672 WeakPolarHBondContact O-CA 3.4Å; Q668-G672 PolarHBondContact O-N 3.41Å
673	I	93.1	Very high	90.6	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.051	30%	0.304	C	S	.	.			trans	-98.1	124.1	-173	-59.4	-61	0	0	0	111.6	L639 M667 Q668 Y671 C688 I689	L639-I673 HydrophobicContact CD1-CG2 4.36Å; L639-I673 HydrophobicContact CD2-CG2 3.76Å; M667-I673 CarbonylContact C-O 3.56Å; M667-I673 PolarHBondContact O-N 3.22Å; Q668-I673 WeakPolarHBondContact CA-O 3.35Å; Q668-I673 PolarHBondContact N-O 3.24Å; Q668-I673 VanDerWaalsContact OE1-C 3.29Å; Q668-I673 PolarHBondContact OE1-O 2.91Å; Y671-I673 PolarHBondContact O-N 3.07Å; I673-C688 HydrophobicContact CD1-CB 4.3Å; I673-I689 HydrophobicContact CD1-CD1 4.46Å; I673-I689 HydrophobicContact CD1-CG1 4.1Å; I673-I689 HydrophobicContact CG1-CD1 4.37Å; I673-I689 HydrophobicContact CG1-CG1 3.96Å
674	D	90.1	Very high	90.6	Very high	68 Å²	68	62.5 Å²	62.5	36%	0.364	32%	0.324	S	S	.	.			trans	-87.2	111.3	166.3	-174.5	-9.7	0	0	0	109.7	F676 N677 V678	D674-F676 PolarHBondContact O-N 3.03Å; D674-F676 PolarHBondContact OD1-N 2.69Å; D674-N677 HydrophobicContact CB-CB 4.35Å; D674-N677 CarbonylContact O-C 3.25Å; D674-N677 VanDerWaalsContact O-C 3.25Å; D674-N677 PolarHBondContact O-N 3.38Å; D674-N677 PolarHBondContact OD1-N 2.99Å; D674-V678 PolarHBondContact O-N 3.17Å
675	L	85.2	Confident	90.7	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.4	-179.8	-74.3	173.1	0	0	0	114.1	L639 I646 F663 A664 M667 L723	L639-L675 HydrophobicContact CD2-CD2 3.92Å; I646-L675 HydrophobicContact CD1-CB 4.32Å; I646-L675 HydrophobicContact CD1-CD1 3.7Å; I646-L675 HydrophobicContact CD1-CG 4.46Å; F663-L675 HydrophobicContact CD1-CD1 3.62Å; F663-L675 HydrophobicContact CE1-CD1 3.26Å; F663-L675 HydrophobicContact CZ-CD1 4Å; A664-L675 HydrophobicContact CB-CD1 4.4Å; M667-L675 HydrophobicContact CB-CD1 4.14Å; M667-L675 HydrophobicContact CB-CG 4.33Å; M667-L675 HydrophobicContact CE-CD2 4.38Å; M667-L675 HydrophobicContact CG-CD1 3.88Å; M667-L675 HydrophobicContact CG-CG 4.43Å; L675-L723 HydrophobicContact CD2-CD1 4.41Å
676	F	86	Confident	90.8	Very high	104 Å²	104	58 Å²	58	46%	0.456	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.1	177.2	-60.2	-74.4	0	0	0	112.3	I646 I650 V660 A664 D674	I646-F676 HydrophobicContact CG2-CE1 4.27Å; I650-F676 HydrophobicContact CD1-CE1 4.32Å; I650-F676 HydrophobicContact CD1-CZ 4.44Å; V660-F676 HydrophobicContact CG1-CZ 3.92Å; A664-F676 HydrophobicContact CB-CE2 3.8Å; D674-F676 PolarHBondContact O-N 3.03Å; D674-F676 PolarHBondContact OD1-N 2.69Å
677	N	87.2	Confident	90.9	Very high	111 Å²	111	57.4 Å²	57.4	59%	0.594	29%	0.29	S	S	*	.	S	Bend	trans	-135.8	63	176.1	-171.1	42.3	0	0	0	110.6	D674 E679	D674-N677 HydrophobicContact CB-CB 4.35Å; D674-N677 CarbonylContact O-C 3.25Å; D674-N677 VanDerWaalsContact O-C 3.25Å; D674-N677 PolarHBondContact O-N 3.38Å; D674-N677 PolarHBondContact OD1-N 2.99Å; N677-E679 PolarHBondContact O-N 2.98Å
678	V	83.3	Confident	91	Very high	40 Å²	40	59.4 Å²	59.4	24%	0.242	30%	0.304	C	S	.	.			trans	-68.6	127.7	179.8	178.9	0	0	0	0	109.9	L639 D674	L639-V678 HydrophobicContact CB-CG1 3.73Å; L639-V678 HydrophobicContact CB-CG2 4.32Å; L639-V678 HydrophobicContact CD1-CG1 4.03Å; L639-V678 HydrophobicContact CG-CG1 4.44Å; D674-V678 PolarHBondContact O-N 3.17Å
679	E	82.9	Confident	91	Very high	97 Å²	97	55.1 Å²	55.1	45%	0.453	28%	0.284	S	S	.	.			trans	-57.5	136.6	175	-71	-64.6	167.2	0	0	112.2	N677 D681	N677-E679 PolarHBondContact O-N 2.98Å; E679-D681 PolarHBondContact O-N 3.15Å
680	S	85.6	Confident	91.1	Very high	110 Å²	110	47.8 Å²	47.8	77%	0.769	25%	0.251	S	S	*	.	S	Bend	trans	-70.5	-21.5	178.2	62.7	0	0	0	0	113.3	H636	H636-S680 PolarHBondContact CE1-O 3.44Å
681	D	90.3	Very high	91.2	Very high	64 Å²	64	52.1 Å²	52.1	34%	0.342	27%	0.269	S	S	.	.			trans	-97.8	108	176.9	-176.9	-1.1	0	0	0	110.6	E679 R683 Q684 S685	E679-D681 PolarHBondContact O-N 3.15Å; D681-R683 PolarHBondContact O-N 3.08Å; D681-R683 VanDerWaalsContact O-N 3.14Å; D681-R683 VanDerWaalsContact OD1-CB 3.25Å; D681-R683 WeakPolarHBondContact OD1-CB 3.32Å; D681-R683 PolarHBondContact OD1-N 2.86Å; D681-Q684 HydrophobicContact CB-CB 4.31Å; D681-Q684 HydrophobicContact CB-CG 4.04Å; D681-Q684 PolarHBondContact O-N 2.93Å; D681-Q684 WeakPolarHBondContact OD2-CG 3.38Å; D681-Q684 PolarHBondContact OD2-NE2 3.49Å; D681-S685 PolarHBondContact O-N 3.15Å; D681-S685 PolarHBondContact O-OG 2.6Å
682	G	90.6	Very high	91.1	Very high	5 Å²	5	54.1 Å²	54.1	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-54.6	-30	175.8	0	0	0	0	0	114.9	S685 L686	G682-S685 PolarHBondContact O-N 3.17Å; G682-L686 PolarHBondContact O-N 3.41Å; G682-L686 VanDerWaalsContact O-N 3.08Å
683	R	94.5	Very high	91	Very high	86 Å²	86	55 Å²	55	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-44.6	177.8	-171.3	-170.1	-174	82.8	16.4	110.3	E628 I632 D681 S685 L686 E687 L698	E628-R683 IonicContact OE1-CZ 2.69Å; E628-R683 IonicContact OE1-NH1 2.61Å; E628-R683 PolarHBondContact OE1-NH1 3.49Å; E628-R683 IonicContact OE1-NH2 3.67Å; E628-R683 PolarHBondContact OE1-NH2 2.88Å; I632-R683 HydrophobicContact CD1-CB 4.04Å; I632-R683 HydrophobicContact CD1-CG 4.03Å; I632-R683 HydrophobicContact CG1-CB 4.46Å; D681-R683 PolarHBondContact O-N 3.08Å; D681-R683 VanDerWaalsContact O-N 3.14Å; D681-R683 VanDerWaalsContact OD1-CB 3.25Å; D681-R683 WeakPolarHBondContact OD1-CB 3.32Å; D681-R683 PolarHBondContact OD1-N 2.86Å; R683-S685 VanDerWaalsContact C-N 3.33Å; R683-S685 PolarHBondContact O-N 3.14Å; R683-L686 PolarHBondContact O-N 3.47Å; R683-E687 HydrophobicContact CG-CG 4.47Å; R683-E687 WeakPolarHBondContact O-CG 3.19Å; R683-E687 PolarHBondContact O-N 2.83Å; R683-L698 HydrophobicContact CG-CD2 4.38Å
684	Q	94	Very high	90.8	Very high	104 Å²	104	61.7 Å²	61.7	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-39	179.7	-66.9	-179.8	25.8	0	0	111.4	D681 L686 E687 C688	D681-Q684 HydrophobicContact CB-CB 4.31Å; D681-Q684 HydrophobicContact CB-CG 4.04Å; D681-Q684 PolarHBondContact O-N 2.93Å; D681-Q684 WeakPolarHBondContact OD2-CG 3.38Å; D681-Q684 PolarHBondContact OD2-NE2 3.49Å; Q684-L686 PolarHBondContact O-N 3.16Å; Q684-E687 PolarHBondContact O-N 2.7Å; Q684-C688 VanDerWaalsContact O-CB 3.24Å; Q684-C688 WeakPolarHBondContact O-CB 3.42Å; Q684-C688 PolarHBondContact O-N 2.67Å
685	S	93.9	Very high	90.7	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.014	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-45.9	173.2	-48.3	0	0	0	0	111.7	D681 G682 R683 C688 I689	D681-S685 PolarHBondContact O-N 3.15Å; D681-S685 PolarHBondContact O-OG 2.6Å; G682-S685 PolarHBondContact O-N 3.17Å; R683-S685 VanDerWaalsContact C-N 3.33Å; R683-S685 PolarHBondContact O-N 3.14Å; S685-C688 WeakPolarHBondContact O-CB 3.49Å; S685-C688 PolarHBondContact O-N 3.2Å; S685-I689 WeakPolarHBondContact O-CD1 3.36Å; S685-I689 VanDerWaalsContact O-CG1 3.3Å; S685-I689 WeakPolarHBondContact O-CG1 3.44Å; S685-I689 PolarHBondContact O-N 3.22Å
686	L	95.5	Very high	90.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-43.7	178.4	176.8	56.3	0	0	0	112.3	L631 I632 V635 G682 R683 Q684 C688 I689 L690 L698 V712 V716	L631-L686 HydrophobicContact CB-CD2 4.05Å; I632-L686 HydrophobicContact CG1-CD2 4.02Å; V635-L686 HydrophobicContact CG2-CD1 4.16Å; G682-L686 PolarHBondContact O-N 3.41Å; G682-L686 VanDerWaalsContact O-N 3.08Å; R683-L686 PolarHBondContact O-N 3.47Å; Q684-L686 PolarHBondContact O-N 3.16Å; L686-C688 VanDerWaalsContact C-N 3.32Å; L686-C688 PolarHBondContact O-N 2.86Å; L686-I689 WeakPolarHBondContact O-CB 3.11Å; L686-I689 PolarHBondContact O-N 3.37Å; L686-L690 HydrophobicContact CD1-CD1 4.25Å; L686-L690 HydrophobicContact CD1-CG 4.2Å; L686-L690 HydrophobicContact CG-CD1 4.24Å; L686-L690 WeakPolarHBondContact O-CG 3.29Å; L686-L690 PolarHBondContact O-N 2.81Å; L686-L698 HydrophobicContact CD2-CD1 4.01Å; L686-L698 HydrophobicContact CD2-CD2 3.83Å; L686-L698 HydrophobicContact CG-CD2 4.47Å; L686-V712 HydrophobicContact CD1-CG1 4.15Å; L686-V716 HydrophobicContact CD1-CG2 3.67Å
687	E	95.2	Very high	90.9	Very high	51 Å²	51	61.6 Å²	61.6	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-37.1	175.7	-69.8	-78.3	-162.9	0	0	111.9	R683 Q684 L690 K691 L698	R683-E687 HydrophobicContact CG-CG 4.47Å; R683-E687 WeakPolarHBondContact O-CG 3.19Å; R683-E687 PolarHBondContact O-N 2.83Å; Q684-E687 PolarHBondContact O-N 2.7Å; E687-L690 PolarHBondContact O-N 3.41Å; E687-K691 VanDerWaalsContact O-CB 3.22Å; E687-K691 WeakPolarHBondContact O-CB 3.24Å; E687-K691 PolarHBondContact O-N 3.18Å; E687-L698 HydrophobicContact CG-CB 4.48Å; E687-L698 WeakPolarHBondContact OE1-CB 3.37Å; E687-L698 PolarHBondContact OE1-N 2.89Å; E687-L698 PolarHBondContact OE2-N 2.83Å; E687-L698 VanDerWaalsContact OE2-N 3.16Å
688	C	94.3	Very high	91.1	Very high	43 Å²	43	56.3 Å²	56.3	29%	0.291	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-46.1	173.7	-176	0	0	0	0	111.5	I673 Q684 S685 L686 K691 T692	I673-C688 HydrophobicContact CD1-CB 4.3Å; Q684-C688 VanDerWaalsContact O-CB 3.24Å; Q684-C688 WeakPolarHBondContact O-CB 3.42Å; Q684-C688 PolarHBondContact O-N 2.67Å; S685-C688 WeakPolarHBondContact O-CB 3.49Å; S685-C688 PolarHBondContact O-N 3.2Å; L686-C688 VanDerWaalsContact C-N 3.32Å; L686-C688 PolarHBondContact O-N 2.86Å; C688-K691 PolarHBondContact O-N 3.46Å; C688-T692 WeakPolarHBondContact O-CB 3.29Å; C688-T692 PolarHBondContact O-N 3.01Å; C688-T692 PolarHBondContact O-OG1 3.2Å
689	I	95.3	Very high	91.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.6	-49.5	175.4	-73.5	161.9	0	0	0	110.6	V635 Y671 I673 S685 L686 T692 T693 V715 F719	V635-I689 HydrophobicContact CG1-CD1 3.68Å; Y671-I689 HydrophobicContact CD1-CG2 4Å; I673-I689 HydrophobicContact CD1-CD1 4.46Å; I673-I689 HydrophobicContact CD1-CG1 4.1Å; I673-I689 HydrophobicContact CG1-CD1 4.37Å; I673-I689 HydrophobicContact CG1-CG1 3.96Å; S685-I689 WeakPolarHBondContact O-CD1 3.36Å; S685-I689 VanDerWaalsContact O-CG1 3.3Å; S685-I689 WeakPolarHBondContact O-CG1 3.44Å; S685-I689 PolarHBondContact O-N 3.22Å; L686-I689 WeakPolarHBondContact O-CB 3.11Å; L686-I689 PolarHBondContact O-N 3.37Å; I689-T692 PolarHBondContact O-N 2.95Å; I689-T693 WeakPolarHBondContact O-CB 3.5Å; I689-T693 WeakPolarHBondContact O-CG2 3.28Å; I689-T693 PolarHBondContact O-N 2.96Å; I689-T693 PolarHBondContact O-OG1 3.47Å; I689-V715 HydrophobicContact CG2-CG1 3.74Å; I689-F719 HydrophobicContact CD1-CD1 4.31Å; I689-F719 HydrophobicContact CD1-CD2 3.73Å; I689-F719 HydrophobicContact CD1-CE1 4.24Å; I689-F719 HydrophobicContact CD1-CE2 3.6Å; I689-F719 HydrophobicContact CD1-CG 4.08Å; I689-F719 HydrophobicContact CD1-CZ 3.89Å; I689-F719 HydrophobicContact CG1-CD2 4.19Å; I689-F719 HydrophobicContact CG1-CE2 4.27Å
690	L	95.6	Very high	91.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-45.7	-179.8	-69.5	173.5	0	0	0	111.8	L686 E687 T693 N694 Q695 L698 V712 V715	L686-L690 HydrophobicContact CD1-CD1 4.25Å; L686-L690 HydrophobicContact CD1-CG 4.2Å; L686-L690 HydrophobicContact CG-CD1 4.24Å; L686-L690 WeakPolarHBondContact O-CG 3.29Å; L686-L690 PolarHBondContact O-N 2.81Å; E687-L690 PolarHBondContact O-N 3.41Å; L690-T693 PolarHBondContact O-N 3.19Å; L690-T693 PolarHBondContact O-OG1 2.93Å; L690-N694 PolarHBondContact O-N 3.1Å; L690-Q695 HydrophobicContact CB-CB 4.42Å; L690-Q695 HydrophobicContact CD2-CB 3.94Å; L690-Q695 PolarHBondContact O-N 3.27Å; L690-L698 HydrophobicContact CD1-CB 4.18Å; L690-V712 HydrophobicContact CD1-CG1 4.3Å; L690-V712 HydrophobicContact CD1-CG2 4.37Å; L690-V712 HydrophobicContact CD2-CG1 4.2Å; L690-V712 HydrophobicContact CD2-CG2 4.46Å; L690-V715 HydrophobicContact CD2-CB 4.29Å; L690-V715 HydrophobicContact CD2-CG1 4.3Å; L690-V715 HydrophobicContact CD2-CG2 4.22Å
691	K	94.3	Very high	92.1	Very high	166 Å²	166	52.6 Å²	52.6	72%	0.722	27%	0.272	S	S	*	.	H	α-helix	trans	-62	-46.2	177.8	-177	180	178.3	-178	0	112.1	E687 C688 T693 N694	E687-K691 VanDerWaalsContact O-CB 3.22Å; E687-K691 WeakPolarHBondContact O-CB 3.24Å; E687-K691 PolarHBondContact O-N 3.18Å; C688-K691 PolarHBondContact O-N 3.46Å; K691-T693 VanDerWaalsContact C-N 3.26Å; K691-T693 PolarHBondContact O-N 3.02Å; K691-N694 PolarHBondContact O-N 3.01Å; K691-N694 VanDerWaalsContact O-N 3.13Å
692	T	94.1	Very high	92.2	Very high	54 Å²	54	52.7 Å²	52.7	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-32.4	-178.2	-53.7	0	0	0	0	111.7	Q670 Y671 C688 I689 N694	Q670-T692 WeakPolarHBondContact O-CG2 3.47Å; Y671-T692 PolarHBondContact O-OG1 3.48Å; C688-T692 WeakPolarHBondContact O-CB 3.29Å; C688-T692 PolarHBondContact O-N 3.01Å; C688-T692 PolarHBondContact O-OG1 3.2Å; I689-T692 PolarHBondContact O-N 2.95Å; T692-N694 VanDerWaalsContact C-N 3.27Å; T692-N694 PolarHBondContact O-N 3.01Å
693	T	91.3	Very high	92.2	Very high	38 Å²	38	57.7 Å²	57.7	23%	0.233	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	8.7	176.4	57.2	0	0	0	0	113.9	Y671 I689 L690 K691 Q695 V715	Y671-T693 HydrophobicContact CD1-CG2 3.85Å; Y671-T693 HydrophobicContact CE1-CG2 3.93Å; I689-T693 WeakPolarHBondContact O-CB 3.5Å; I689-T693 WeakPolarHBondContact O-CG2 3.28Å; I689-T693 PolarHBondContact O-N 2.96Å; I689-T693 PolarHBondContact O-OG1 3.47Å; L690-T693 PolarHBondContact O-N 3.19Å; L690-T693 PolarHBondContact O-OG1 2.93Å; K691-T693 VanDerWaalsContact C-N 3.26Å; K691-T693 PolarHBondContact O-N 3.02Å; T693-Q695 VanDerWaalsContact C-N 3.3Å; T693-Q695 PolarHBondContact O-N 2.9Å; T693-Q695 WeakPolarHBondContact OG1-CG 3.46Å; T693-V715 HydrophobicContact CG2-CG1 4.1Å; T693-V715 WeakPolarHBondContact OG1-CG1 3.24Å
694	N	88.7	Confident	91.9	Very high	150 Å²	150	57.4 Å²	57.4	80%	0.802	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	38.9	-178	-61.3	-54.6	0	0	0	113.9	L690 K691 T692	L690-N694 PolarHBondContact O-N 3.1Å; K691-N694 PolarHBondContact O-N 3.01Å; K691-N694 VanDerWaalsContact O-N 3.13Å; T692-N694 VanDerWaalsContact C-N 3.27Å; T692-N694 PolarHBondContact O-N 3.01Å
695	Q	87.1	Confident	91.6	Very high	90 Å²	90	57.3 Å²	57.3	42%	0.421	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-100.6	162	178.8	-60.9	-65.8	-31.6	0	0	111.1	L690 T693 V715	L690-Q695 HydrophobicContact CB-CB 4.42Å; L690-Q695 HydrophobicContact CD2-CB 3.94Å; L690-Q695 PolarHBondContact O-N 3.27Å; T693-Q695 VanDerWaalsContact C-N 3.3Å; T693-Q695 PolarHBondContact O-N 2.9Å; T693-Q695 WeakPolarHBondContact OG1-CG 3.46Å; Q695-V715 HydrophobicContact CB-CG2 4.41Å; Q695-V715 HydrophobicContact CG-CG2 3.64Å
696	T	85.5	Confident	91.4	Very high	52 Å²	52	59.4 Å²	59.4	32%	0.319	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-58.3	144.8	174.9	46.9	0	0	0	0	110.8	S701	T696-S701 PolarHBondContact OG1-OG 3.41Å
697	S	90	Very high	91.3	Very high	29 Å²	29	59.5 Å²	59.5	20%	0.203	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-58.6	159.8	176.9	62.4	0	0	0	0	111.3	S699 E700 S701	S697-S699 VanDerWaalsContact C-N 3.27Å; S697-S699 PolarHBondContact O-N 2.8Å; S697-S699 PolarHBondContact OG-OG 3.27Å; S697-E700 PolarHBondContact N-OE2 3.35Å; S697-E700 PolarHBondContact O-N 3.23Å; S697-E700 WeakPolarHBondContact OG-CB 3.26Å; S697-E700 WeakPolarHBondContact OG-CG 3.3Å; S697-E700 PolarHBondContact OG-N 2.99Å; S697-E700 PolarHBondContact OG-OE2 3.1Å; S697-S701 WeakPolarHBondContact O-CB 3.43Å; S697-S701 PolarHBondContact O-N 2.86Å; S697-S701 PolarHBondContact O-OG 3.26Å
698	L	91.3	Very high	91.2	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-42.4	177.9	-170.7	57.3	0	0	0	110.8	E628 I632 R683 L686 E687 L690 E700 S701 T702 L708 V712	E628-L698 HydrophobicContact CG-CD1 4.29Å; E628-L698 HydrophobicContact CG-CD2 3.79Å; E628-L698 HydrophobicContact CG-CG 4.09Å; E628-L698 VanDerWaalsContact OE1-CD2 3.26Å; E628-L698 WeakPolarHBondContact OE1-CD2 3.31Å; I632-L698 HydrophobicContact CD1-CD2 4.09Å; I632-L698 HydrophobicContact CG1-CD2 4.19Å; R683-L698 HydrophobicContact CG-CD2 4.38Å; L686-L698 HydrophobicContact CD2-CD1 4.01Å; L686-L698 HydrophobicContact CD2-CD2 3.83Å; L686-L698 HydrophobicContact CG-CD2 4.47Å; E687-L698 HydrophobicContact CG-CB 4.48Å; E687-L698 WeakPolarHBondContact OE1-CB 3.37Å; E687-L698 PolarHBondContact OE1-N 2.89Å; E687-L698 PolarHBondContact OE2-N 2.83Å; E687-L698 VanDerWaalsContact OE2-N 3.16Å; L690-L698 HydrophobicContact CD1-CB 4.18Å; L698-E700 PolarHBondContact O-N 2.78Å; L698-S701 PolarHBondContact O-N 3.38Å; L698-T702 WeakPolarHBondContact O-CG2 3.4Å; L698-T702 PolarHBondContact O-N 3.36Å; L698-L708 HydrophobicContact CD1-CD2 3.72Å; L698-V712 HydrophobicContact CD1-CG1 4.33Å; L698-V712 HydrophobicContact CD1-CG2 4.29Å
699	S	90.8	Very high	91.1	Very high	61 Å²	61	56.1 Å²	56.1	43%	0.427	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-45.5	177.3	43.6	0	0	0	0	113.3	S697 S701 T702 C703	S697-S699 VanDerWaalsContact C-N 3.27Å; S697-S699 PolarHBondContact O-N 2.8Å; S697-S699 PolarHBondContact OG-OG 3.27Å; S699-S701 VanDerWaalsContact C-N 3.32Å; S699-S701 PolarHBondContact O-N 2.87Å; S699-T702 PolarHBondContact O-N 2.89Å; S699-T702 PolarHBondContact O-OG1 2.83Å; S699-C703 PolarHBondContact O-N 3.45Å; S699-C703 PolarHBondContact O-SG 3.29Å
700	E	92	Very high	90.9	Very high	109 Å²	109	58.8 Å²	58.8	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-39.6	177.7	-71.7	162.3	160.8	0	0	111.2	S697 L698 T702 C703 I704	S697-E700 PolarHBondContact N-OE2 3.35Å; S697-E700 PolarHBondContact O-N 3.23Å; S697-E700 WeakPolarHBondContact OG-CB 3.26Å; S697-E700 WeakPolarHBondContact OG-CG 3.3Å; S697-E700 PolarHBondContact OG-N 2.99Å; S697-E700 PolarHBondContact OG-OE2 3.1Å; L698-E700 PolarHBondContact O-N 2.78Å; E700-T702 VanDerWaalsContact C-N 3.28Å; E700-T702 PolarHBondContact O-N 3.41Å; E700-C703 WeakPolarHBondContact O-CB 3.3Å; E700-C703 PolarHBondContact O-N 2.94Å; E700-C703 VanDerWaalsContact O-N 3.12Å; E700-I704 PolarHBondContact O-N 3.14Å
701	S	90.2	Very high	90.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-32.3	178.9	-53.6	0	0	0	0	112.4	T696 S697 L698 S699 C703 I704 G707 V712	T696-S701 PolarHBondContact OG1-OG 3.41Å; S697-S701 WeakPolarHBondContact O-CB 3.43Å; S697-S701 PolarHBondContact O-N 2.86Å; S697-S701 PolarHBondContact O-OG 3.26Å; L698-S701 PolarHBondContact O-N 3.38Å; S699-S701 VanDerWaalsContact C-N 3.32Å; S699-S701 PolarHBondContact O-N 2.87Å; S701-C703 VanDerWaalsContact C-N 3.32Å; S701-I704 PolarHBondContact O-N 2.8Å; S701-G707 VanDerWaalsContact O-CA 3.32Å; S701-G707 WeakPolarHBondContact O-CA 3.47Å; S701-V712 WeakPolarHBondContact OG-CG2 3.39Å
702	T	91.2	Very high	90.7	Very high	66 Å²	66	52.9 Å²	52.9	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-70.2	-26.2	174.6	57.8	0	0	0	0	113.7	L698 S699 E700 I704 L708	L698-T702 WeakPolarHBondContact O-CG2 3.4Å; L698-T702 PolarHBondContact O-N 3.36Å; S699-T702 PolarHBondContact O-N 2.89Å; S699-T702 PolarHBondContact O-OG1 2.83Å; E700-T702 VanDerWaalsContact C-N 3.28Å; E700-T702 PolarHBondContact O-N 3.41Å; T702-I704 VanDerWaalsContact C-N 3.32Å; T702-L708 HydrophobicContact CG2-CD1 4.43Å; T702-L708 HydrophobicContact CG2-CD2 3.89Å; T702-L708 HydrophobicContact CG2-CG 4.36Å
703	C	90.8	Very high	90.7	Very high	110 Å²	110	50.6 Å²	50.6	74%	0.743	29%	0.287	S	S	*	.	H	α-helix	trans	-77.8	-17.9	177.2	-65.3	0	0	0	0	113	S699 E700 S701	S699-C703 PolarHBondContact O-N 3.45Å; S699-C703 PolarHBondContact O-SG 3.29Å; E700-C703 WeakPolarHBondContact O-CB 3.3Å; E700-C703 PolarHBondContact O-N 2.94Å; E700-C703 VanDerWaalsContact O-N 3.12Å; S701-C703 VanDerWaalsContact C-N 3.32Å
704	I	88.5	Confident	90.7	Very high	79 Å²	79	49.4 Å²	49.4	41%	0.405	28%	0.28	S	S	.	.	S	Bend	trans	-91.1	132.8	179.8	-61.2	166.9	0	0	0	109	E700 S701 T702 H706 G707	E700-I704 PolarHBondContact O-N 3.14Å; S701-I704 PolarHBondContact O-N 2.8Å; T702-I704 VanDerWaalsContact C-N 3.32Å; I704-H706 PolarHBondContact O-N 3.21Å; I704-H706 VanDerWaalsContact O-N 3.16Å; I704-G707 PolarHBondContact O-N 3.22Å
705	P	87.6	Confident	90.9	Very high	102 Å²	102	42.7 Å²	42.7	66%	0.662	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	123.2	172.8	-25.5	34.4	0	0	0	111.2	G707	P705-G707 PolarHBondContact O-N 2.96Å; P705-G707 VanDerWaalsContact O-N 3.11Å
706	H	91.3	Very high	91.3	Very high	46 Å²	46	38.4 Å²	38.4	21%	0.213	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	19	-175	-49.8	-73.8	0	0	0	115.1	H578 A580 I704 L708 E709 I710	H578-H706 PolarHBondContact O-CE1 2.87Å; H578-H706 VanDerWaalsContact O-CE1 3.29Å; A580-H706 HydrophobicContact CB-CB 3.62Å; A580-H706 PolarHBondContact N-ND1 2.8Å; I704-H706 PolarHBondContact O-N 3.21Å; I704-H706 VanDerWaalsContact O-N 3.16Å; H706-L708 PolarHBondContact O-N 2.93Å; H706-E709 HydrophobicContact CB-CB 4.45Å; H706-E709 IonicContact CG-OE1 3.88Å; H706-E709 IonicContact ND1-OE1 2.72Å; H706-E709 PolarHBondContact ND1-OE1 2.96Å; H706-E709 VanDerWaalsContact ND1-OE1 3.07Å; H706-E709 IonicContact ND1-OE2 2.93Å; H706-E709 WeakPolarHBondContact O-CB 3.4Å; H706-E709 PolarHBondContact O-N 3.06Å; H706-I710 HydrophobicContact CB-CD1 4.04Å; H706-I710 HydrophobicContact CB-CG1 4.36Å; H706-I710 PolarHBondContact O-N 2.79Å
707	G	91.7	Very high	91.7	Very high	2 Å²	2	36 Å²	36	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-29.9	-177.6	0	0	0	0	0	113.6	S701 I704 P705 N711 V712	S701-G707 VanDerWaalsContact O-CA 3.32Å; S701-G707 WeakPolarHBondContact O-CA 3.47Å; I704-G707 PolarHBondContact O-N 3.22Å; P705-G707 PolarHBondContact O-N 2.96Å; P705-G707 VanDerWaalsContact O-N 3.11Å; G707-N711 WeakPolarHBondContact O-CA 3.46Å; G707-N711 VanDerWaalsContact O-CB 3.24Å; G707-N711 WeakPolarHBondContact O-CB 3.32Å; G707-N711 PolarHBondContact O-N 2.79Å; G707-V712 PolarHBondContact O-N 2.88Å
708	L	94.3	Very high	91.8	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.105	21%	0.21	C	C	.	.	I	π-helix	trans	-63	-40.5	171.6	-62.8	-175.9	0	0	0	112.5	L626 E628 L631 L698 T702 H706 V712 W713	L626-L708 HydrophobicContact CD2-CB 4.3Å; L626-L708 HydrophobicContact CG-CB 4.47Å; E628-L708 HydrophobicContact CB-CD1 4.28Å; L631-L708 HydrophobicContact CD1-CB 4.13Å; L631-L708 HydrophobicContact CD1-CD1 4.48Å; L631-L708 HydrophobicContact CD1-CD2 4.11Å; L631-L708 HydrophobicContact CD1-CG 4.48Å; L698-L708 HydrophobicContact CD1-CD2 3.72Å; T702-L708 HydrophobicContact CG2-CD1 4.43Å; T702-L708 HydrophobicContact CG2-CD2 3.89Å; T702-L708 HydrophobicContact CG2-CG 4.36Å; H706-L708 PolarHBondContact O-N 2.93Å; L708-V712 HydrophobicContact CD2-CB 4.49Å; L708-V712 HydrophobicContact CD2-CG2 4.04Å; L708-V712 WeakPolarHBondContact O-CB 3.44Å; L708-V712 PolarHBondContact O-N 2.8Å; L708-W713 PolarHBondContact O-N 2.92Å
709	E	92.7	Very high	92	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	21%	0.21	C	C	.	.	I	π-helix	trans	-75	-40.7	-178.8	-58.9	165.4	-140.6	0	0	111	T579 A580 W620 L626 H706	T579-E709 WeakPolarHBondContact CA-OE2 3.37Å; T579-E709 WeakPolarHBondContact CB-OE2 3.48Å; A580-E709 WeakPolarHBondContact CB-OE2 3.23Å; A580-E709 PolarHBondContact N-OE2 2.89Å; W620-E709 HydrophobicContact CB-CB 4.31Å; W620-E709 HydrophobicContact CG-CB 4.35Å; W620-E709 HydrophobicContact CG-CG 4.23Å; L626-E709 HydrophobicContact CB-CG 3.82Å; H706-E709 HydrophobicContact CB-CB 4.45Å; H706-E709 IonicContact CG-OE1 3.88Å; H706-E709 IonicContact ND1-OE1 2.72Å; H706-E709 PolarHBondContact ND1-OE1 2.96Å; H706-E709 VanDerWaalsContact ND1-OE1 3.07Å; H706-E709 IonicContact ND1-OE2 2.93Å; H706-E709 WeakPolarHBondContact O-CB 3.4Å; H706-E709 PolarHBondContact O-N 3.06Å
710	I	90.6	Very high	92.1	Very high	57 Å²	57	33.7 Å²	33.7	29%	0.292	19%	0.19	S	C	.	.	I	π-helix	trans	-87	-38.3	-172	-60.5	171.9	0	0	0	112.3	A580 G616 F617 H706 P714	A580-I710 HydrophobicContact CB-CD1 4.17Å; A580-I710 HydrophobicContact CB-CG1 4.29Å; G616-I710 WeakPolarHBondContact CA-O 3.4Å; F617-I710 HydrophobicContact CD2-CD1 4.39Å; F617-I710 HydrophobicContact CD2-CG1 4.48Å; H706-I710 HydrophobicContact CB-CD1 4.04Å; H706-I710 HydrophobicContact CB-CG1 4.36Å; H706-I710 PolarHBondContact O-N 2.79Å; I710-P714 WeakPolarHBondContact O-CG 3.36Å
711	N	90.8	Very high	92.2	Very high	43 Å²	43	29 Å²	29	23%	0.23	17%	0.168	C	C	.	.	I	π-helix	trans	-105.9	-39.9	-171.7	-54.8	-22.7	0	0	0	112.5	G707 V715	G707-N711 WeakPolarHBondContact O-CA 3.46Å; G707-N711 VanDerWaalsContact O-CB 3.24Å; G707-N711 WeakPolarHBondContact O-CB 3.32Å; G707-N711 PolarHBondContact O-N 2.79Å; N711-V715 WeakPolarHBondContact O-CG2 3.3Å
712	V	94.3	Very high	92.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-91.2	-50.3	-171.4	-177.9	0	0	0	0	112.3	L631 L686 L690 L698 S701 G707 L708 V715 V716	L631-V712 HydrophobicContact CD1-CB 4.18Å; L631-V712 HydrophobicContact CD1-CG1 3.7Å; L686-V712 HydrophobicContact CD1-CG1 4.15Å; L690-V712 HydrophobicContact CD1-CG1 4.3Å; L690-V712 HydrophobicContact CD1-CG2 4.37Å; L690-V712 HydrophobicContact CD2-CG1 4.2Å; L690-V712 HydrophobicContact CD2-CG2 4.46Å; L698-V712 HydrophobicContact CD1-CG1 4.33Å; L698-V712 HydrophobicContact CD1-CG2 4.29Å; S701-V712 WeakPolarHBondContact OG-CG2 3.39Å; G707-V712 PolarHBondContact O-N 2.88Å; L708-V712 HydrophobicContact CD2-CB 4.49Å; L708-V712 HydrophobicContact CD2-CG2 4.04Å; L708-V712 WeakPolarHBondContact O-CB 3.44Å; L708-V712 PolarHBondContact O-N 2.8Å; V712-V715 WeakPolarHBondContact O-CB 3.37Å; V712-V715 PolarHBondContact O-N 3.35Å; V712-V715 VanDerWaalsContact O-N 3.12Å; V712-V716 HydrophobicContact CG1-CG2 4.2Å; V712-V716 PolarHBondContact O-N 3.45Å; V712-V716 VanDerWaalsContact O-N 3.12Å
713	W	94.4	Very high	92.3	Very high	6 Å²	6	28 Å²	28	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-53.1	-43.8	-179.3	170.8	-118.3	0	0	0	114.5	S619 W620 L626 L631 L708 V715 V716 L717 L720 L788	S619-W713 PolarHBondContact O-NE1 3.24Å; S619-W713 VanDerWaalsContact OG-CD1 3.26Å; W620-W713 AromaticContact CE3-CD1 3.77Å; W620-W713 AromaticContact CE3-CD2 3.74Å; W620-W713 HydrophobicContact CE3-CD2 3.74Å; W620-W713 AromaticContact CE3-CE2 3.58Å; W620-W713 HydrophobicContact CE3-CE3 4.45Å; W620-W713 AromaticContact CE3-CG 3.85Å; W620-W713 HydrophobicContact CE3-CG 3.85Å; W620-W713 HydrophobicContact CE3-CZ2 4.13Å; W620-W713 AromaticContact CE3-NE1 3.58Å; W620-W713 HydrophobicContact CZ3-CD2 4.03Å; W620-W713 AromaticContact CZ3-CE2 3.95Å; W620-W713 HydrophobicContact CZ3-CE3 4.31Å; W620-W713 HydrophobicContact CZ3-CH2 4.43Å; W620-W713 HydrophobicContact CZ3-CZ2 4.13Å; L626-W713 HydrophobicContact CD2-CB 3.65Å; L626-W713 HydrophobicContact CD2-CG 4.32Å; L631-W713 HydrophobicContact CD2-CE3 4.32Å; L708-W713 PolarHBondContact O-N 2.92Å; W713-V715 PolarHBondContact O-N 2.8Å; W713-V716 HydrophobicContact CE3-CB 4.22Å; W713-V716 HydrophobicContact CE3-CG1 4.21Å; W713-V716 HydrophobicContact CZ3-CG1 4.09Å; W713-V716 CarbonylContact O-C 3.37Å; W713-V716 PolarHBondContact O-N 2.93Å; W713-V716 VanDerWaalsContact O-N 3.13Å; W713-L717 HydrophobicContact CD2-CB 4.32Å; W713-L717 HydrophobicContact CH2-CB 4.16Å; W713-L717 HydrophobicContact CH2-CD1 3.97Å; W713-L717 HydrophobicContact CZ2-CB 3.96Å; W713-L717 HydrophobicContact CZ2-CD1 3.81Å; W713-L717 HydrophobicContact CZ2-CD2 4.03Å; W713-L717 HydrophobicContact CZ2-CG 4.15Å; W713-L717 HydrophobicContact CZ3-CB 4.41Å; W713-L717 WeakPolarHBondContact O-CB 3.46Å; W713-L717 PolarHBondContact O-N 3.47Å; W713-L720 HydrophobicContact CZ3-CD1 4.32Å; W713-L788 HydrophobicContact CE3-CD1 3.7Å; W713-L788 HydrophobicContact CE3-CG 4.34Å; W713-L788 HydrophobicContact CH2-CD1 3.98Å; W713-L788 HydrophobicContact CH2-CG 3.68Å; W713-L788 HydrophobicContact CZ3-CD1 3.24Å; W713-L788 HydrophobicContact CZ3-CD2 4.32Å; W713-L788 HydrophobicContact CZ3-CG 3.43Å; W713-L788 VanDerWaalsContact CZ3-CG 3.43Å
714	P	91.9	Very high	92.4	Very high	12 Å²	12	22.9 Å²	22.9	8%	0.078	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-31.4	-178.4	-22.8	34.9	0	0	0	112.7	F615 G616 I710 N718	F615-P714 HydrophobicContact CD1-CB 3.92Å; F615-P714 HydrophobicContact CE1-CB 3.75Å; G616-P714 VanDerWaalsContact CA-CG 3.44Å; I710-P714 WeakPolarHBondContact O-CG 3.36Å; P714-N718 PolarHBondContact O-N 3.24Å; P714-N718 PolarHBondContact O-ND2 3.44Å
715	V	93.1	Very high	92.5	Very high	10 Å²	10	21 Å²	21	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-71.6	-48.9	176.5	-174.5	0	0	0	0	109.6	I689 L690 T693 Q695 N711 V712 W713 L717 N718 F719	I689-V715 HydrophobicContact CG2-CG1 3.74Å; L690-V715 HydrophobicContact CD2-CB 4.29Å; L690-V715 HydrophobicContact CD2-CG1 4.3Å; L690-V715 HydrophobicContact CD2-CG2 4.22Å; T693-V715 HydrophobicContact CG2-CG1 4.1Å; T693-V715 WeakPolarHBondContact OG1-CG1 3.24Å; Q695-V715 HydrophobicContact CB-CG2 4.41Å; Q695-V715 HydrophobicContact CG-CG2 3.64Å; N711-V715 WeakPolarHBondContact O-CG2 3.3Å; V712-V715 WeakPolarHBondContact O-CB 3.37Å; V712-V715 PolarHBondContact O-N 3.35Å; V712-V715 VanDerWaalsContact O-N 3.12Å; W713-V715 PolarHBondContact O-N 2.8Å; V715-L717 VanDerWaalsContact C-N 3.3Å; V715-L717 PolarHBondContact O-N 2.96Å; V715-N718 PolarHBondContact O-N 3.34Å; V715-F719 WeakPolarHBondContact O-CB 3.42Å; V715-F719 PolarHBondContact O-N 3Å
716	V	94.3	Very high	92.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-40.5	177.6	174.4	0	0	0	0	111	L631 V635 L686 V712 W713 F719 L720	L631-V716 HydrophobicContact CD2-CB 4.32Å; L631-V716 HydrophobicContact CD2-CG1 4.28Å; L631-V716 HydrophobicContact CD2-CG2 4.09Å; V635-V716 HydrophobicContact CG2-CG1 3.99Å; V635-V716 HydrophobicContact CG2-CG2 4.11Å; L686-V716 HydrophobicContact CD1-CG2 3.67Å; V712-V716 HydrophobicContact CG1-CG2 4.2Å; V712-V716 PolarHBondContact O-N 3.45Å; V712-V716 VanDerWaalsContact O-N 3.12Å; W713-V716 HydrophobicContact CE3-CB 4.22Å; W713-V716 HydrophobicContact CE3-CG1 4.21Å; W713-V716 HydrophobicContact CZ3-CG1 4.09Å; W713-V716 CarbonylContact O-C 3.37Å; W713-V716 PolarHBondContact O-N 2.93Å; W713-V716 VanDerWaalsContact O-N 3.13Å; V716-F719 WeakPolarHBondContact O-CB 3.1Å; V716-F719 PolarHBondContact O-N 3.37Å; V716-L720 HydrophobicContact CG1-CD1 4.15Å; V716-L720 HydrophobicContact CG1-CG 4.27Å; V716-L720 WeakPolarHBondContact O-CB 3.1Å; V716-L720 VanDerWaalsContact O-CG 3.26Å; V716-L720 WeakPolarHBondContact O-CG 3.33Å; V716-L720 PolarHBondContact O-N 3.48Å
717	L	93.9	Very high	92.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-47.7	175.9	-179.4	56.8	0	0	0	111.6	F483 F615 W713 V715 F719 L720 H721 I786	F483-L717 HydrophobicContact CB-CD2 4.31Å; F483-L717 HydrophobicContact CD2-CD2 4.21Å; F483-L717 HydrophobicContact CD2-CG 4.11Å; F615-L717 HydrophobicContact CZ-CD2 3.99Å; W713-L717 HydrophobicContact CD2-CB 4.32Å; W713-L717 HydrophobicContact CH2-CB 4.16Å; W713-L717 HydrophobicContact CH2-CD1 3.97Å; W713-L717 HydrophobicContact CZ2-CB 3.96Å; W713-L717 HydrophobicContact CZ2-CD1 3.81Å; W713-L717 HydrophobicContact CZ2-CD2 4.03Å; W713-L717 HydrophobicContact CZ2-CG 4.15Å; W713-L717 HydrophobicContact CZ3-CB 4.41Å; W713-L717 WeakPolarHBondContact O-CB 3.46Å; W713-L717 PolarHBondContact O-N 3.47Å; V715-L717 VanDerWaalsContact C-N 3.3Å; V715-L717 PolarHBondContact O-N 2.96Å; L717-F719 VanDerWaalsContact C-N 3.32Å; L717-F719 PolarHBondContact O-N 2.92Å; L717-L720 PolarHBondContact O-N 3.42Å; L717-H721 PolarHBondContact O-CD2 3.2Å; L717-H721 PolarHBondContact O-N 3.36Å; L717-I786 HydrophobicContact CD1-CB 4.37Å
718	N	92.3	Very high	92.8	Very high	39 Å²	39	14.7 Å²	14.7	21%	0.209	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175.2	-60.7	-39.2	0	0	0	110.9	F483 K486 P714 V715 L720 H721 I722	F483-N718 WeakPolarHBondContact CE2-OD1 3.46Å; K486-N718 PolarHBondContact NZ-ND2 3.5Å; K486-N718 PolarHBondContact NZ-OD1 3.38Å; P714-N718 PolarHBondContact O-N 3.24Å; P714-N718 PolarHBondContact O-ND2 3.44Å; V715-N718 PolarHBondContact O-N 3.34Å; N718-L720 PolarHBondContact O-N 3.11Å; N718-H721 PolarHBondContact O-N 2.85Å; N718-I722 WeakPolarHBondContact O-CG1 3.39Å; N718-I722 PolarHBondContact O-N 3.19Å
719	F	94.6	Very high	92.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-47.6	176.3	163.1	-94.2	0	0	0	111.7	V635 L639 M667 Y671 I689 V715 V716 L717 H721 I722 L723	V635-F719 HydrophobicContact CG1-CE1 4.33Å; V635-F719 HydrophobicContact CG1-CZ 4.48Å; L639-F719 HydrophobicContact CD1-CZ 4.37Å; L639-F719 HydrophobicContact CD2-CE2 4.15Å; L639-F719 HydrophobicContact CD2-CZ 3.62Å; L639-F719 HydrophobicContact CG-CZ 3.89Å; M667-F719 HydrophobicContact CE-CD2 3.96Å; M667-F719 HydrophobicContact CE-CE2 3.35Å; M667-F719 HydrophobicContact CE-CZ 4.13Å; Y671-F719 HydrophobicContact CD1-CB 4.21Å; Y671-F719 HydrophobicContact CD1-CD2 4.08Å; Y671-F719 HydrophobicContact CD2-CD2 4.09Å; Y671-F719 HydrophobicContact CE1-CB 3.8Å; Y671-F719 HydrophobicContact CE1-CD2 4.41Å; Y671-F719 HydrophobicContact CE2-CD2 4.46Å; Y671-F719 AromaticContact CG-CD2 3.9Å; Y671-F719 HydrophobicContact CG-CD2 3.9Å; Y671-F719 PolarHBondContact OH-N 3.18Å; I689-F719 HydrophobicContact CD1-CD1 4.31Å; I689-F719 HydrophobicContact CD1-CD2 3.73Å; I689-F719 HydrophobicContact CD1-CE1 4.24Å; I689-F719 HydrophobicContact CD1-CE2 3.6Å; I689-F719 HydrophobicContact CD1-CG 4.08Å; I689-F719 HydrophobicContact CD1-CZ 3.89Å; I689-F719 HydrophobicContact CG1-CD2 4.19Å; I689-F719 HydrophobicContact CG1-CE2 4.27Å; V715-F719 WeakPolarHBondContact O-CB 3.42Å; V715-F719 PolarHBondContact O-N 3Å; V716-F719 WeakPolarHBondContact O-CB 3.1Å; V716-F719 PolarHBondContact O-N 3.37Å; L717-F719 VanDerWaalsContact C-N 3.32Å; L717-F719 PolarHBondContact O-N 2.92Å; F719-H721 VanDerWaalsContact C-N 3.33Å; F719-H721 PolarHBondContact O-N 2.85Å; F719-I722 PolarHBondContact O-N 3.41Å; F719-L723 HydrophobicContact CE1-CD2 4.31Å; F719-L723 HydrophobicContact CZ-CD1 4.27Å; F719-L723 HydrophobicContact CZ-CD2 4.48Å; F719-L723 WeakPolarHBondContact O-CB 3.32Å; F719-L723 PolarHBondContact O-N 3.26Å
720	L	94.6	Very high	92.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-64.1	-36.9	178.6	-70	177.3	0	0	0	112.3	W713 V716 L717 N718 L723 V724 I765 I786 L788	W713-L720 HydrophobicContact CZ3-CD1 4.32Å; V716-L720 HydrophobicContact CG1-CD1 4.15Å; V716-L720 HydrophobicContact CG1-CG 4.27Å; V716-L720 WeakPolarHBondContact O-CB 3.1Å; V716-L720 VanDerWaalsContact O-CG 3.26Å; V716-L720 WeakPolarHBondContact O-CG 3.33Å; V716-L720 PolarHBondContact O-N 3.48Å; L717-L720 PolarHBondContact O-N 3.42Å; N718-L720 PolarHBondContact O-N 3.11Å; L720-L723 HydrophobicContact CD2-CD2 4.24Å; L720-L723 WeakPolarHBondContact O-CB 3.27Å; L720-L723 PolarHBondContact O-N 3.03Å; L720-V724 WeakPolarHBondContact O-CB 3Å; L720-V724 WeakPolarHBondContact O-CG2 3.42Å; L720-V724 PolarHBondContact O-N 2.61Å; L720-I765 HydrophobicContact CD1-CD1 4.21Å; L720-I765 HydrophobicContact CD1-CG1 4.45Å; L720-I765 HydrophobicContact CD2-CD1 3.67Å; L720-I786 HydrophobicContact CB-CD1 4.19Å; L720-I786 HydrophobicContact CB-CG2 3.94Å; L720-I786 HydrophobicContact CD1-CG2 3.9Å; L720-I786 WeakPolarHBondContact O-CD1 3.1Å; L720-L788 HydrophobicContact CD1-CD2 4.34Å
721	H	92.5	Very high	92.5	Very high	11 Å²	11	15.1 Å²	15.1	5%	0.051	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-40.1	174.6	-83.5	-75.4	0	0	0	112.5	F483 L717 N718 F719 L723 V724 S725 S783 P784 I786	F483-H721 AromaticContact CD1-CD2 3.7Å; F483-H721 AromaticContact CD1-CE1 3.6Å; F483-H721 AromaticContact CD1-NE2 3.33Å; F483-H721 VanDerWaalsContact CD1-NE2 3.33Å; F483-H721 WeakPolarHBondContact CD1-NE2 3.02Å; F483-H721 AromaticContact CD2-CD2 3.72Å; F483-H721 AromaticContact CD2-NE2 3.95Å; F483-H721 HydrophobicContact CE1-CB 4.09Å; F483-H721 AromaticContact CE1-CD2 3.32Å; F483-H721 WeakPolarHBondContact CE1-CD2 3Å; F483-H721 AromaticContact CE1-CE1 3.43Å; F483-H721 VanDerWaalsContact CE1-CE1 3.43Å; F483-H721 WeakPolarHBondContact CE1-CE1 3.5Å; F483-H721 AromaticContact CE1-CG 3.37Å; F483-H721 AromaticContact CE1-ND1 3.44Å; F483-H721 WeakPolarHBondContact CE1-ND1 3.07Å; F483-H721 AromaticContact CE1-NE2 3.37Å; F483-H721 WeakPolarHBondContact CE1-NE2 3.46Å; F483-H721 HydrophobicContact CE2-CB 4.22Å; F483-H721 AromaticContact CE2-CD2 3.34Å; F483-H721 WeakPolarHBondContact CE2-CD2 3.22Å; F483-H721 AromaticContact CE2-CG 3.88Å; F483-H721 AromaticContact CE2-NE2 3.99Å; F483-H721 AromaticContact CG-CD2 3.88Å; F483-H721 AromaticContact CG-NE2 3.62Å; F483-H721 HydrophobicContact CZ-CB 3.51Å; F483-H721 AromaticContact CZ-CD2 3.12Å; F483-H721 WeakPolarHBondContact CZ-CD2 3.32Å; F483-H721 AromaticContact CZ-CG 3.2Å; F483-H721 AromaticContact CZ-ND1 3.8Å; F483-H721 AromaticContact CZ-NE2 3.71Å; L717-H721 PolarHBondContact O-CD2 3.2Å; L717-H721 PolarHBondContact O-N 3.36Å; N718-H721 PolarHBondContact O-N 2.85Å; F719-H721 VanDerWaalsContact C-N 3.33Å; F719-H721 PolarHBondContact O-N 2.85Å; H721-L723 VanDerWaalsContact C-N 3.34Å; H721-V724 PolarHBondContact O-N 3.04Å; H721-S725 PolarHBondContact O-N 2.86Å; H721-S783 PolarHBondContact ND1-OG 2.94Å; H721-P784 PolarHBondContact CE1-O 3.15Å; H721-I786 HydrophobicContact CB-CD1 4.26Å; H721-I786 WeakPolarHBondContact ND1-CD1 3.37Å
722	I	92.3	Very high	92.4	Very high	44 Å²	44	16.8 Å²	16.8	23%	0.226	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-44.4	171.6	-62	-60.2	0	0	0	109.7	F663 M667 Y671 N718 F719 V724 S725	F663-I722 HydrophobicContact CE2-CG2 4.11Å; F663-I722 WeakPolarHBondContact CE2-O 3.31Å; M667-I722 HydrophobicContact SD-CB 4.41Å; M667-I722 HydrophobicContact SD-CG2 3.59Å; M667-I722 VanDerWaalsContact SD-CG2 3.59Å; Y671-I722 HydrophobicContact CE2-CB 4.02Å; Y671-I722 HydrophobicContact CE2-CG1 3.91Å; Y671-I722 HydrophobicContact CE2-CG2 4.15Å; N718-I722 WeakPolarHBondContact O-CG1 3.39Å; N718-I722 PolarHBondContact O-N 3.19Å; F719-I722 PolarHBondContact O-N 3.41Å; I722-V724 VanDerWaalsContact C-N 3.26Å; I722-V724 PolarHBondContact O-N 3.43Å; I722-S725 WeakPolarHBondContact O-CB 3.11Å; I722-S725 PolarHBondContact O-N 3.09Å; I722-S725 PolarHBondContact O-OG 2.96Å
723	L	92.2	Very high	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.8	-37.7	179.3	-163.7	76.5	0	0	0	113.1	S638 L639 S642 F663 M667 L675 F719 L720 H721 V726	S638-L723 VanDerWaalsContact CB-CD2 3.49Å; S638-L723 WeakPolarHBondContact O-CD2 3.43Å; S638-L723 WeakPolarHBondContact OG-CD2 3.32Å; L639-L723 HydrophobicContact CD2-CD1 4.14Å; S642-L723 WeakPolarHBondContact OG-CD1 3.37Å; F663-L723 HydrophobicContact CZ-CD1 4.27Å; M667-L723 HydrophobicContact CE-CD1 3.77Å; L675-L723 HydrophobicContact CD2-CD1 4.41Å; F719-L723 HydrophobicContact CE1-CD2 4.31Å; F719-L723 HydrophobicContact CZ-CD1 4.27Å; F719-L723 HydrophobicContact CZ-CD2 4.48Å; F719-L723 WeakPolarHBondContact O-CB 3.32Å; F719-L723 PolarHBondContact O-N 3.26Å; L720-L723 HydrophobicContact CD2-CD2 4.24Å; L720-L723 WeakPolarHBondContact O-CB 3.27Å; L720-L723 PolarHBondContact O-N 3.03Å; H721-L723 VanDerWaalsContact C-N 3.34Å; L723-V726 WeakPolarHBondContact O-CG1 3.46Å
724	V	92.7	Very high	91.9	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-82.3	-17.4	178	171.5	0	0	0	0	112.4	L720 H721 I722 V726 R727 N728 F755 L760 L767 P784 I786	L720-V724 WeakPolarHBondContact O-CB 3Å; L720-V724 WeakPolarHBondContact O-CG2 3.42Å; L720-V724 PolarHBondContact O-N 2.61Å; H721-V724 PolarHBondContact O-N 3.04Å; I722-V724 VanDerWaalsContact C-N 3.26Å; I722-V724 PolarHBondContact O-N 3.43Å; V724-V726 VanDerWaalsContact C-N 3.27Å; V724-V726 PolarHBondContact O-N 3.37Å; V724-R727 WeakPolarHBondContact O-CB 3.14Å; V724-R727 PolarHBondContact O-N 2.7Å; V724-R727 VanDerWaalsContact O-N 3.07Å; V724-N728 PolarHBondContact O-N 3.47Å; V724-F755 HydrophobicContact CG2-CE1 4.36Å; V724-L760 HydrophobicContact CG2-CD1 4.2Å; V724-L767 HydrophobicContact CG1-CD1 3.7Å; V724-L767 HydrophobicContact CG1-CD2 3.78Å; V724-L767 HydrophobicContact CG1-CG 4.43Å; V724-L767 HydrophobicContact CG2-CD1 4.25Å; V724-L767 HydrophobicContact CG2-CD2 4.23Å; V724-P784 HydrophobicContact CG1-CG 3.84Å; V724-I786 HydrophobicContact CB-CD1 4.02Å; V724-I786 HydrophobicContact CG2-CD1 3.78Å
725	S	91	Very high	91.6	Very high	41 Å²	41	18.9 Å²	18.9	29%	0.287	10%	0.101	S	C	.	.	H	α-helix	trans	-58.2	-36.9	-176.6	74.8	0	0	0	0	113.1	H721 I722 R727 N728 T729	H721-S725 PolarHBondContact O-N 2.86Å; I722-S725 WeakPolarHBondContact O-CB 3.11Å; I722-S725 PolarHBondContact O-N 3.09Å; I722-S725 PolarHBondContact O-OG 2.96Å; S725-R727 VanDerWaalsContact C-N 3.32Å; S725-R727 PolarHBondContact O-N 2.68Å; S725-N728 PolarHBondContact O-N 2.84Å; S725-N728 VanDerWaalsContact O-N 3.08Å; S725-T729 PolarHBondContact O-N 3.5Å; S725-T729 PolarHBondContact O-OG1 2.63Å
726	V	92.5	Very high	91.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-42.5	176.5	65.7	0	0	0	0	111.8	F645 I649 I659 F663 L723 V724 N728 T729 I730	F645-V726 HydrophobicContact CD1-CG1 4.08Å; F645-V726 HydrophobicContact CE1-CG1 3.99Å; I649-V726 HydrophobicContact CD1-CG2 4.17Å; I659-V726 HydrophobicContact CG2-CG2 4.17Å; F663-V726 HydrophobicContact CB-CB 4.4Å; F663-V726 HydrophobicContact CB-CG2 4.3Å; F663-V726 HydrophobicContact CD1-CB 3.82Å; F663-V726 HydrophobicContact CD1-CG1 4.04Å; F663-V726 HydrophobicContact CD1-CG2 4Å; F663-V726 HydrophobicContact CD2-CB 4.06Å; F663-V726 HydrophobicContact CE1-CB 4.07Å; F663-V726 HydrophobicContact CE1-CG1 3.79Å; F663-V726 HydrophobicContact CE2-CB 4.33Å; F663-V726 HydrophobicContact CE2-CG1 4.47Å; F663-V726 HydrophobicContact CG-CB 3.81Å; F663-V726 HydrophobicContact CG-CG1 4.45Å; F663-V726 HydrophobicContact CG-CG2 4.12Å; F663-V726 HydrophobicContact CZ-CB 4.33Å; F663-V726 HydrophobicContact CZ-CG1 4.05Å; L723-V726 WeakPolarHBondContact O-CG1 3.46Å; V724-V726 VanDerWaalsContact C-N 3.27Å; V724-V726 PolarHBondContact O-N 3.37Å; V726-N728 VanDerWaalsContact C-N 3.35Å; V726-N728 PolarHBondContact O-N 3.09Å; V726-T729 PolarHBondContact O-N 3.01Å; V726-I730 WeakPolarHBondContact O-CG1 3.37Å; V726-I730 PolarHBondContact O-N 3.47Å; V726-I730 VanDerWaalsContact O-N 3.16Å
727	R	93.1	Very high	90.6	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-41.8	175.2	-177.1	-145	176.6	-132.7	-7.4	110.9	F645 V724 S725 I730 R731 C752 F755 L767 D769	F645-R727 HydrophobicContact CE1-CB 3.81Å; F645-R727 HydrophobicContact CE1-CG 4.4Å; F645-R727 HydrophobicContact CE2-CG 4.43Å; F645-R727 HydrophobicContact CZ-CB 3.84Å; F645-R727 HydrophobicContact CZ-CG 3.93Å; V724-R727 WeakPolarHBondContact O-CB 3.14Å; V724-R727 PolarHBondContact O-N 2.7Å; V724-R727 VanDerWaalsContact O-N 3.07Å; S725-R727 VanDerWaalsContact C-N 3.32Å; S725-R727 PolarHBondContact O-N 2.68Å; R727-I730 PolarHBondContact O-N 2.91Å; R727-R731 WeakPolarHBondContact O-CG 3.36Å; R727-R731 PolarHBondContact O-N 3.37Å; R727-C752 HydrophobicContact CG-CB 4.3Å; R727-C752 PolarHBondContact NE-O 3.42Å; R727-C752 VanDerWaalsContact NE-O 3.09Å; R727-F755 HydrophobicContact CB-CD1 4Å; R727-F755 HydrophobicContact CB-CE1 4.09Å; R727-F755 HydrophobicContact CG-CD1 3.95Å; R727-L767 VanDerWaalsContact NH1-CD2 3.34Å; R727-D769 IonicContact CZ-OD1 3.45Å; R727-D769 IonicContact CZ-OD2 3.5Å; R727-D769 IonicContact NH1-OD1 3.59Å; R727-D769 PolarHBondContact NH1-OD1 3.27Å; R727-D769 IonicContact NH1-OD2 3.68Å; R727-D769 IonicContact NH2-OD1 3.78Å; R727-D769 IonicContact NH2-OD2 2.96Å; R727-D769 PolarHBondContact NH2-OD2 2.82Å
728	N	90.3	Very high	90.1	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.08	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-39.3	179.9	-66.1	-26.6	0	0	0	112.2	V724 S725 V726 I730 R731 K732 P784	V724-N728 PolarHBondContact O-N 3.47Å; S725-N728 PolarHBondContact O-N 2.84Å; S725-N728 VanDerWaalsContact O-N 3.08Å; V726-N728 VanDerWaalsContact C-N 3.35Å; V726-N728 PolarHBondContact O-N 3.09Å; N728-I730 VanDerWaalsContact C-N 3.3Å; N728-I730 PolarHBondContact O-N 2.69Å; N728-R731 PolarHBondContact O-N 3.12Å; N728-K732 WeakPolarHBondContact O-CG 3.11Å; N728-K732 PolarHBondContact O-N 3.04Å; N728-P784 WeakPolarHBondContact ND2-CD 3.49Å; N728-P784 WeakPolarHBondContact ND2-CG 3.45Å
729	T	90.5	Very high	89.7	Confident	52 Å²	52	27.6 Å²	27.6	32%	0.319	17%	0.171	S	C	.	.	H	α-helix	trans	-57.3	-44.5	172.6	-61.2	0	0	0	0	111.1	I659 S725 V726 K732 I733	I659-T729 HydrophobicContact CD1-CG2 4.17Å; I659-T729 HydrophobicContact CG1-CG2 4.37Å; I659-T729 HydrophobicContact CG2-CG2 4.07Å; S725-T729 PolarHBondContact O-N 3.5Å; S725-T729 PolarHBondContact O-OG1 2.63Å; V726-T729 PolarHBondContact O-N 3.01Å; T729-K732 WeakPolarHBondContact O-CB 3.38Å; T729-K732 PolarHBondContact O-N 3.27Å; T729-I733 HydrophobicContact CG2-CD1 4.31Å; T729-I733 WeakPolarHBondContact O-CG1 3.35Å; T729-I733 PolarHBondContact O-N 2.96Å; T729-I733 VanDerWaalsContact O-N 3.17Å
730	I	91.5	Very high	89.1	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-43.6	176.1	-66.3	169	0	0	0	111.5	F645 I649 F656 V726 R727 N728 K732 I733 L734 L748	F645-I730 HydrophobicContact CE1-CD1 3.78Å; F645-I730 HydrophobicContact CZ-CD1 3.62Å; I649-I730 HydrophobicContact CB-CD1 4.06Å; I649-I730 HydrophobicContact CD1-CD1 3.26Å; I649-I730 HydrophobicContact CG1-CD1 4.19Å; I649-I730 HydrophobicContact CG2-CD1 3.77Å; F656-I730 HydrophobicContact CD1-CG1 4.5Å; V726-I730 WeakPolarHBondContact O-CG1 3.37Å; V726-I730 PolarHBondContact O-N 3.47Å; V726-I730 VanDerWaalsContact O-N 3.16Å; R727-I730 PolarHBondContact O-N 2.91Å; N728-I730 VanDerWaalsContact C-N 3.3Å; N728-I730 PolarHBondContact O-N 2.69Å; I730-K732 VanDerWaalsContact C-N 3.27Å; I730-K732 PolarHBondContact O-N 2.74Å; I730-I733 PolarHBondContact O-N 2.96Å; I730-L734 HydrophobicContact CG2-CD1 3.82Å; I730-L734 HydrophobicContact CG2-CG 4.28Å; I730-L734 WeakPolarHBondContact O-CG 3.16Å; I730-L734 PolarHBondContact O-N 3.11Å; I730-L748 HydrophobicContact CG2-CB 4.46Å; I730-L748 HydrophobicContact CG2-CD2 4.27Å
731	R	90.1	Very high	88.8	Confident	35 Å²	35	37.6 Å²	37.6	13%	0.132	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-37.1	176.2	-74.4	-177	67.6	-138	-3.9	112.6	R727 N728 L734 S735 C752 D769 A771 L776	R727-R731 WeakPolarHBondContact O-CG 3.36Å; R727-R731 PolarHBondContact O-N 3.37Å; N728-R731 PolarHBondContact O-N 3.12Å; R731-L734 PolarHBondContact O-N 2.91Å; R731-S735 WeakPolarHBondContact O-CB 3.46Å; R731-S735 PolarHBondContact O-N 3.05Å; R731-S735 PolarHBondContact O-OG 3.11Å; R731-C752 HydrophobicContact CG-CB 4.48Å; R731-D769 IonicContact CZ-OD1 2.81Å; R731-D769 IonicContact CZ-OD2 3.77Å; R731-D769 IonicContact NH1-OD1 2.68Å; R731-D769 PolarHBondContact NH1-OD1 3.35Å; R731-D769 IonicContact NH1-OD2 3.15Å; R731-D769 IonicContact NH2-OD2 3.64Å; R731-A771 PolarHBondContact NH2-O 3.27Å; R731-L776 HydrophobicContact CB-CD1 4.08Å
732	K	87.9	Confident	88.6	Confident	78 Å²	78	41.6 Å²	41.6	34%	0.339	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-48.7	174.4	-71.3	170.7	-176.4	177.1	0	111.4	N728 T729 I730 L734 S735 S736 L776 D781	N728-K732 WeakPolarHBondContact O-CG 3.11Å; N728-K732 PolarHBondContact O-N 3.04Å; T729-K732 WeakPolarHBondContact O-CB 3.38Å; T729-K732 PolarHBondContact O-N 3.27Å; I730-K732 VanDerWaalsContact C-N 3.27Å; I730-K732 PolarHBondContact O-N 2.74Å; K732-L734 VanDerWaalsContact C-N 3.32Å; K732-L734 PolarHBondContact O-N 2.78Å; K732-S735 CarbonylContact O-C 3.57Å; K732-S735 PolarHBondContact O-N 3.1Å; K732-S736 PolarHBondContact O-N 3.21Å; K732-L776 HydrophobicContact CG-CD2 4.01Å; K732-D781 WeakPolarHBondContact CE-OD1 3.11Å; K732-D781 WeakPolarHBondContact CE-OD2 3.3Å; K732-D781 IonicContact NZ-OD1 3.91Å; K732-D781 IonicContact NZ-OD2 3.5Å; K732-D781 PolarHBondContact NZ-OD2 3.21Å
733	I	89.5	Confident	88.4	Confident	38 Å²	38	42.1 Å²	42.1	20%	0.195	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-38.9	178.6	-62	167.4	0	0	0	111.2	I659 T729 I730 S735 S736 I739	I659-I733 HydrophobicContact CD1-CD1 3.31Å; T729-I733 HydrophobicContact CG2-CD1 4.31Å; T729-I733 WeakPolarHBondContact O-CG1 3.35Å; T729-I733 PolarHBondContact O-N 2.96Å; T729-I733 VanDerWaalsContact O-N 3.17Å; I730-I733 PolarHBondContact O-N 2.96Å; I733-S735 VanDerWaalsContact C-N 3.26Å; I733-S735 PolarHBondContact O-N 2.85Å; I733-S736 PolarHBondContact O-OG 3.33Å; I733-I739 HydrophobicContact CG2-CD1 3.87Å; I733-I739 HydrophobicContact CG2-CG1 4.1Å
734	L	89.4	Confident	88.3	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-33.6	174.4	-75.1	165.9	0	0	0	112.5	I730 R731 K732 I739 K745 L748 Y749	I730-L734 HydrophobicContact CG2-CD1 3.82Å; I730-L734 HydrophobicContact CG2-CG 4.28Å; I730-L734 WeakPolarHBondContact O-CG 3.16Å; I730-L734 PolarHBondContact O-N 3.11Å; R731-L734 PolarHBondContact O-N 2.91Å; K732-L734 VanDerWaalsContact C-N 3.32Å; K732-L734 PolarHBondContact O-N 2.78Å; L734-I739 HydrophobicContact CD2-CD1 3.68Å; L734-I739 HydrophobicContact CG-CD1 4.19Å; L734-K745 HydrophobicContact CD2-CB 4.46Å; L734-K745 HydrophobicContact CD2-CG 3.9Å; L734-L748 HydrophobicContact CD1-CB 3.98Å; L734-L748 HydrophobicContact CD2-CB 3.86Å; L734-L748 HydrophobicContact CD2-CD1 4.01Å; L734-L748 HydrophobicContact CG-CB 4.36Å; L734-Y749 HydrophobicContact CB-CE1 4.05Å; L734-Y749 HydrophobicContact CB-CE2 4.45Å; L734-Y749 HydrophobicContact CD1-CD1 3.85Å; L734-Y749 HydrophobicContact CD1-CE1 3.87Å; L734-Y749 HydrophobicContact CD1-CG 4.2Å; L734-Y749 HydrophobicContact CD2-CD2 4.31Å; L734-Y749 HydrophobicContact CD2-CE2 4.14Å; L734-Y749 HydrophobicContact CG-CE1 4.46Å
735	S	85.7	Confident	88.2	Confident	22 Å²	22	45.8 Å²	45.8	15%	0.154	28%	0.283	C	S	.	.	H	α-helix	trans	-86.5	-24.4	-177.2	-54.5	0	0	0	0	113.5	R731 K732 I733 G737	R731-S735 WeakPolarHBondContact O-CB 3.46Å; R731-S735 PolarHBondContact O-N 3.05Å; R731-S735 PolarHBondContact O-OG 3.11Å; K732-S735 CarbonylContact O-C 3.57Å; K732-S735 PolarHBondContact O-N 3.1Å; I733-S735 VanDerWaalsContact C-N 3.26Å; I733-S735 PolarHBondContact O-N 2.85Å; S735-G737 PolarHBondContact O-N 2.87Å
736	S	84.5	Confident	88.2	Confident	69 Å²	69	50 Å²	50	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-18.7	176.1	66.8	0	0	0	0	113.2	K732 I733 S738	K732-S736 PolarHBondContact O-N 3.21Å; I733-S736 PolarHBondContact O-OG 3.33Å; S736-S738 PolarHBondContact OG-N 3.44Å; S736-S738 PolarHBondContact OG-OG 2.94Å
737	G	80.8	Confident	88.3	Confident	49 Å²	49	54.9 Å²	54.9	51%	0.505	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	9.7	-176.5	0	0	0	0	0	114.3	S735 I739	S735-G737 PolarHBondContact O-N 2.87Å; G737-I739 PolarHBondContact O-N 3.41Å
738	S	83.1	Confident	88.3	Confident	88 Å²	88	55 Å²	55	62%	0.615	32%	0.315	S	S	*	.			trans	-65.5	-24	-179.4	-56.2	0	0	0	0	113.7	S736	S736-S738 PolarHBondContact OG-N 3.44Å; S736-S738 PolarHBondContact OG-OG 2.94Å
739	I	84.6	Confident	88.4	Confident	27 Å²	27	58 Å²	58	14%	0.138	33%	0.326	C	S	.	.			trans	-95	112.7	-178.6	-57.2	161.8	0	0	0	109.5	F656 I733 L734 G737 C744 K745 L748	F656-I739 HydrophobicContact CE1-CD1 4.41Å; F656-I739 HydrophobicContact CZ-CD1 3.73Å; F656-I739 HydrophobicContact CZ-CG1 4.32Å; I733-I739 HydrophobicContact CG2-CD1 3.87Å; I733-I739 HydrophobicContact CG2-CG1 4.1Å; L734-I739 HydrophobicContact CD2-CD1 3.68Å; L734-I739 HydrophobicContact CG-CD1 4.19Å; G737-I739 PolarHBondContact O-N 3.41Å; I739-C744 HydrophobicContact CG2-CB 4.41Å; I739-K745 HydrophobicContact CG2-CB 4.25Å; I739-L748 HydrophobicContact CD1-CD1 3.69Å
740	T	82.8	Confident	88.6	Confident	139 Å²	139	60.4 Å²	60.4	85%	0.853	33%	0.333	S	S	*	.			trans	-89.7	-27.6	179.4	54.4	0	0	0	0	113.2	S742	T740-S742 PolarHBondContact O-N 2.95Å
741	D	87.9	Confident	88.8	Confident	73 Å²	73	60.9 Å²	60.9	39%	0.39	34%	0.337	S	S	.	.			trans	-69.7	113.7	177.4	176.7	24.7	0	0	0	111.1	S743 C744 K745	D741-S743 PolarHBondContact O-N 2.77Å; D741-S743 WeakPolarHBondContact OD1-CB 3.29Å; D741-S743 PolarHBondContact OD1-N 2.87Å; D741-S743 PolarHBondContact OD1-OG 3.22Å; D741-S743 PolarHBondContact OD2-OG 3.15Å; D741-C744 HydrophobicContact CB-CB 3.94Å; D741-C744 WeakPolarHBondContact OD2-CB 3.26Å; D741-C744 PolarHBondContact OD2-N 2.95Å; D741-K745 VanDerWaalsContact O-CB 3.27Å; D741-K745 WeakPolarHBondContact O-CB 3.42Å; D741-K745 PolarHBondContact O-N 3.44Å
742	S	87.2	Confident	89	Confident	95 Å²	95	59.3 Å²	59.3	66%	0.664	33%	0.332	S	S	*	.	H	α-helix	trans	-63.2	-28.5	177.1	-174.3	0	0	0	0	112.8	T740 K746	T740-S742 PolarHBondContact O-N 2.95Å; S742-K746 WeakPolarHBondContact O-CB 3.48Å; S742-K746 PolarHBondContact O-N 3.05Å
743	S	89.8	Confident	89.2	Confident	54 Å²	54	58.8 Å²	58.8	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-75.5	-49.3	-178.3	91.2	0	0	0	0	111.2	D741 K746 R747	D741-S743 PolarHBondContact O-N 2.77Å; D741-S743 WeakPolarHBondContact OD1-CB 3.29Å; D741-S743 PolarHBondContact OD1-N 2.87Å; D741-S743 PolarHBondContact OD1-OG 3.22Å; D741-S743 PolarHBondContact OD2-OG 3.15Å; S743-K746 WeakPolarHBondContact O-CB 3.26Å; S743-K746 PolarHBondContact O-N 2.76Å; S743-R747 PolarHBondContact O-N 3.03Å; S743-R747 VanDerWaalsContact O-N 3.07Å; S743-R747 PolarHBondContact OG-NH1 3.03Å
744	C	90.2	Very high	89.4	Confident	10 Å²	10	63.2 Å²	63.2	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-49.2	172	179.1	0	0	0	0	111.1	E652 I739 D741 K746 R747 L748	E652-C744 PolarHBondContact OE2-SG 2.9Å; I739-C744 HydrophobicContact CG2-CB 4.41Å; D741-C744 HydrophobicContact CB-CB 3.94Å; D741-C744 WeakPolarHBondContact OD2-CB 3.26Å; D741-C744 PolarHBondContact OD2-N 2.95Å; C744-K746 VanDerWaalsContact C-N 3.25Å; C744-K746 PolarHBondContact O-N 3.3Å; C744-R747 PolarHBondContact O-N 3.37Å; C744-R747 VanDerWaalsContact O-N 3.14Å; C744-L748 WeakPolarHBondContact O-CG 3.28Å; C744-L748 PolarHBondContact O-N 2.82Å; C744-L748 VanDerWaalsContact SG-CD1 3.58Å
745	K	90.3	Very high	89.7	Confident	70 Å²	70	63.1 Å²	63.1	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-54.7	-41.8	177.2	-174.5	167.3	-173.5	163.2	0	112.3	L734 I739 D741 Y749	L734-K745 HydrophobicContact CD2-CB 4.46Å; L734-K745 HydrophobicContact CD2-CG 3.9Å; I739-K745 HydrophobicContact CG2-CB 4.25Å; D741-K745 VanDerWaalsContact O-CB 3.27Å; D741-K745 WeakPolarHBondContact O-CB 3.42Å; D741-K745 PolarHBondContact O-N 3.44Å; K745-Y749 HydrophobicContact CD-CE2 4.21Å; K745-Y749 HydrophobicContact CG-CD2 3.88Å; K745-Y749 HydrophobicContact CG-CE2 3.64Å; K745-Y749 WeakPolarHBondContact O-CD2 3.5Å; K745-Y749 PolarHBondContact O-N 2.87Å; K745-Y749 VanDerWaalsContact O-N 3.12Å
746	K	91.4	Very high	90.1	Very high	129 Å²	129	64.5 Å²	64.5	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-64.6	-50.3	177.2	-178.2	-178.9	169.3	-175.3	0	111.6	S742 S743 C744 L748 Y749 E750	S742-K746 WeakPolarHBondContact O-CB 3.48Å; S742-K746 PolarHBondContact O-N 3.05Å; S743-K746 WeakPolarHBondContact O-CB 3.26Å; S743-K746 PolarHBondContact O-N 2.76Å; C744-K746 VanDerWaalsContact C-N 3.25Å; C744-K746 PolarHBondContact O-N 3.3Å; K746-L748 VanDerWaalsContact C-N 3.32Å; K746-L748 PolarHBondContact O-N 3.44Å; K746-Y749 PolarHBondContact O-N 3.5Å; K746-E750 WeakPolarHBondContact CE-OE1 3.5Å; K746-E750 HydrophobicContact CG-CG 4.47Å; K746-E750 IonicContact NZ-OE1 3.28Å; K746-E750 WeakPolarHBondContact O-CB 3.42Å; K746-E750 WeakPolarHBondContact O-CG 3.24Å; K746-E750 PolarHBondContact O-N 3.22Å
747	R	93.5	Very high	90.3	Very high	106 Å²	106	63.7 Å²	63.7	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-41.1	179.4	-70	-170.6	-61	-83.8	-2.9	112.3	E652 S743 C744 E750 A751	E652-R747 IonicContact OE1-CZ 3.57Å; E652-R747 IonicContact OE1-NE 2.74Å; E652-R747 PolarHBondContact OE1-NE 2.9Å; E652-R747 IonicContact OE1-NH2 3.55Å; E652-R747 IonicContact OE2-CZ 3.45Å; E652-R747 IonicContact OE2-NE 3.35Å; E652-R747 PolarHBondContact OE2-NE 3.41Å; E652-R747 IonicContact OE2-NH2 2.75Å; E652-R747 PolarHBondContact OE2-NH2 3.04Å; S743-R747 PolarHBondContact O-N 3.03Å; S743-R747 VanDerWaalsContact O-N 3.07Å; S743-R747 PolarHBondContact OG-NH1 3.03Å; C744-R747 PolarHBondContact O-N 3.37Å; C744-R747 VanDerWaalsContact O-N 3.14Å; R747-E750 PolarHBondContact O-N 3.1Å; R747-A751 WeakPolarHBondContact O-CB 3.33Å; R747-A751 PolarHBondContact O-N 3.05Å
748	L	93.7	Very high	90.8	Very high	1 Å²	1	65 Å²	65	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-42.9	178.1	-69.5	171	0	0	0	112.8	I649 E652 F656 I730 L734 I739 C744 K746 A751 C752	I649-L748 HydrophobicContact CB-CD2 4.3Å; I649-L748 HydrophobicContact CG2-CD2 3.88Å; E652-L748 HydrophobicContact CB-CD2 4.32Å; E652-L748 HydrophobicContact CG-CD2 3.96Å; E652-L748 HydrophobicContact CG-CG 4.4Å; F656-L748 HydrophobicContact CE1-CD1 3.82Å; F656-L748 HydrophobicContact CE1-CD2 4.29Å; F656-L748 HydrophobicContact CE2-CD1 4.01Å; F656-L748 HydrophobicContact CZ-CD1 3.39Å; F656-L748 HydrophobicContact CZ-CD2 4.45Å; I730-L748 HydrophobicContact CG2-CB 4.46Å; I730-L748 HydrophobicContact CG2-CD2 4.27Å; L734-L748 HydrophobicContact CD1-CB 3.98Å; L734-L748 HydrophobicContact CD2-CB 3.86Å; L734-L748 HydrophobicContact CD2-CD1 4.01Å; L734-L748 HydrophobicContact CG-CB 4.36Å; I739-L748 HydrophobicContact CD1-CD1 3.69Å; C744-L748 WeakPolarHBondContact O-CG 3.28Å; C744-L748 PolarHBondContact O-N 2.82Å; C744-L748 VanDerWaalsContact SG-CD1 3.58Å; K746-L748 VanDerWaalsContact C-N 3.32Å; K746-L748 PolarHBondContact O-N 3.44Å; L748-A751 PolarHBondContact O-N 2.95Å; L748-C752 WeakPolarHBondContact O-CB 3.4Å; L748-C752 PolarHBondContact O-N 3.25Å; L748-C752 PolarHBondContact O-SG 3.45Å
749	Y	92.5	Very high	91.3	Very high	80 Å²	80	61.6 Å²	61.6	31%	0.314	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-43.8	172.7	-82.3	-58.9	0	0	0	111.8	L734 K745 K746 A751 C752 D753	L734-Y749 HydrophobicContact CB-CE1 4.05Å; L734-Y749 HydrophobicContact CB-CE2 4.45Å; L734-Y749 HydrophobicContact CD1-CD1 3.85Å; L734-Y749 HydrophobicContact CD1-CE1 3.87Å; L734-Y749 HydrophobicContact CD1-CG 4.2Å; L734-Y749 HydrophobicContact CD2-CD2 4.31Å; L734-Y749 HydrophobicContact CD2-CE2 4.14Å; L734-Y749 HydrophobicContact CG-CE1 4.46Å; K745-Y749 HydrophobicContact CD-CE2 4.21Å; K745-Y749 HydrophobicContact CG-CD2 3.88Å; K745-Y749 HydrophobicContact CG-CE2 3.64Å; K745-Y749 WeakPolarHBondContact O-CD2 3.5Å; K745-Y749 PolarHBondContact O-N 2.87Å; K745-Y749 VanDerWaalsContact O-N 3.12Å; K746-Y749 PolarHBondContact O-N 3.5Å; Y749-A751 VanDerWaalsContact C-N 3.32Å; Y749-A751 PolarHBondContact O-N 3.48Å; Y749-C752 PolarHBondContact O-N 2.88Å; Y749-C752 VanDerWaalsContact O-N 3.17Å; Y749-D753 WeakPolarHBondContact O-CB 3.36Å; Y749-D753 PolarHBondContact O-N 3.45Å
750	E	94.3	Very high	91.7	Very high	102 Å²	102	60.3 Å²	60.3	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-41.3	176.8	-74.4	172.5	169	0	0	111.7	K746 R747 R754	K746-E750 WeakPolarHBondContact CE-OE1 3.5Å; K746-E750 HydrophobicContact CG-CG 4.47Å; K746-E750 IonicContact NZ-OE1 3.28Å; K746-E750 WeakPolarHBondContact O-CB 3.42Å; K746-E750 WeakPolarHBondContact O-CG 3.24Å; K746-E750 PolarHBondContact O-N 3.22Å; R747-E750 PolarHBondContact O-N 3.1Å; E750-R754 WeakPolarHBondContact O-CB 3.38Å; E750-R754 PolarHBondContact O-N 3.06Å
751	A	94.8	Very high	92.1	Very high	11 Å²	11	54.6 Å²	54.6	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-44.1	173.7	0	0	0	0	0	111.8	F645 A648 I649 R747 L748 Y749 F755	F645-A751 HydrophobicContact CD2-CB 4.11Å; F645-A751 HydrophobicContact CE2-CB 3.93Å; A648-A751 HydrophobicContact CB-CB 4.1Å; I649-A751 HydrophobicContact CG2-CB 4.4Å; R747-A751 WeakPolarHBondContact O-CB 3.33Å; R747-A751 PolarHBondContact O-N 3.05Å; L748-A751 PolarHBondContact O-N 2.95Å; Y749-A751 VanDerWaalsContact C-N 3.32Å; Y749-A751 PolarHBondContact O-N 3.48Å; A751-F755 VanDerWaalsContact O-CB 3.3Å; A751-F755 WeakPolarHBondContact O-CB 3.39Å; A751-F755 PolarHBondContact O-N 3.34Å
752	C	94.2	Very high	92.2	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-37.7	179.6	-70.4	0	0	0	0	113.1	R727 R731 L748 Y749 R756	R727-C752 HydrophobicContact CG-CB 4.3Å; R727-C752 PolarHBondContact NE-O 3.42Å; R727-C752 VanDerWaalsContact NE-O 3.09Å; R731-C752 HydrophobicContact CG-CB 4.48Å; L748-C752 WeakPolarHBondContact O-CB 3.4Å; L748-C752 PolarHBondContact O-N 3.25Å; L748-C752 PolarHBondContact O-SG 3.45Å; Y749-C752 PolarHBondContact O-N 2.88Å; Y749-C752 VanDerWaalsContact O-N 3.17Å; C752-R756 PolarHBondContact O-N 3.35Å
753	D	92.7	Very high	92.2	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-74.4	-43.5	177.2	-77.1	-25	0	0	0	110.9	Y749 F755 R756 D757	Y749-D753 WeakPolarHBondContact O-CB 3.36Å; Y749-D753 PolarHBondContact O-N 3.45Å; D753-F755 VanDerWaalsContact C-N 3.35Å; D753-F755 PolarHBondContact O-N 3.47Å; D753-R756 PolarHBondContact O-N 2.88Å; D753-R756 IonicContact OD1-CZ 3.12Å; D753-R756 IonicContact OD1-NH1 3.44Å; D753-R756 IonicContact OD1-NH2 2.61Å; D753-R756 PolarHBondContact OD1-NH2 2.91Å; D753-D757 VanDerWaalsContact O-CB 3.28Å; D753-D757 WeakPolarHBondContact O-CB 3.39Å; D753-D757 PolarHBondContact O-N 3.34Å
754	R	94.3	Very high	92.3	Very high	131 Å²	131	48 Å²	48	49%	0.494	22%	0.222	S	C	.	.	H	α-helix	trans	-58.3	-46.7	174.6	-178.9	-172.8	169.5	163.3	-0.5	111.5	E750 R756 I758 D759	E750-R754 WeakPolarHBondContact O-CB 3.38Å; E750-R754 PolarHBondContact O-N 3.06Å; R754-R756 VanDerWaalsContact C-N 3.35Å; R754-R756 PolarHBondContact O-N 3.48Å; R754-I758 HydrophobicContact CG-CB 4.34Å; R754-I758 HydrophobicContact CG-CD1 4.3Å; R754-I758 WeakPolarHBondContact O-CA 3.36Å; R754-I758 WeakPolarHBondContact O-CB 3.45Å; R754-I758 PolarHBondContact O-N 2.87Å; R754-D759 WeakPolarHBondContact CG-OD2 3.46Å; R754-D759 IonicContact NE-OD1 3.86Å; R754-D759 PolarHBondContact NE-OD1 2.89Å; R754-D759 IonicContact NE-OD2 3.41Å; R754-D759 PolarHBondContact NE-OD2 2.83Å; R754-D759 PolarHBondContact O-N 3.01Å
755	F	95.6	Very high	92.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-60.2	-43.9	179.2	-178.5	-121.1	0	0	0	111.6	A641 F645 V724 R727 A751 D753 D759 L760	A641-F755 HydrophobicContact CB-CD2 4.09Å; A641-F755 HydrophobicContact CB-CE2 3.76Å; A641-F755 WeakPolarHBondContact O-CD2 3.47Å; F645-F755 HydrophobicContact CB-CB 4.29Å; F645-F755 HydrophobicContact CB-CD2 3.77Å; F645-F755 HydrophobicContact CB-CE2 4.25Å; F645-F755 HydrophobicContact CB-CG 3.99Å; F645-F755 HydrophobicContact CD1-CD1 4.46Å; F645-F755 HydrophobicContact CD2-CB 3.69Å; F645-F755 HydrophobicContact CD2-CD1 4.4Å; F645-F755 HydrophobicContact CD2-CG 4.03Å; F645-F755 HydrophobicContact CE2-CB 4.3Å; F645-F755 HydrophobicContact CG-CB 4.12Å; F645-F755 HydrophobicContact CG-CD1 4.24Å; F645-F755 HydrophobicContact CG-CD2 4.23Å; F645-F755 AromaticContact CG-CG 3.95Å; F645-F755 HydrophobicContact CG-CG 3.95Å; V724-F755 HydrophobicContact CG2-CE1 4.36Å; R727-F755 HydrophobicContact CB-CD1 4Å; R727-F755 HydrophobicContact CB-CE1 4.09Å; R727-F755 HydrophobicContact CG-CD1 3.95Å; A751-F755 VanDerWaalsContact O-CB 3.3Å; A751-F755 WeakPolarHBondContact O-CB 3.39Å; A751-F755 PolarHBondContact O-N 3.34Å; D753-F755 VanDerWaalsContact C-N 3.35Å; D753-F755 PolarHBondContact O-N 3.47Å; F755-D759 HydrophobicContact CD2-CB 4.43Å; F755-L760 HydrophobicContact CD1-CD1 4.27Å; F755-L760 HydrophobicContact CD2-CG 4.26Å; F755-L760 HydrophobicContact CE1-CD1 3.94Å; F755-L760 HydrophobicContact CE1-CG 4.43Å; F755-L760 HydrophobicContact CE2-CD1 4.37Å; F755-L760 HydrophobicContact CE2-CD2 3.97Å; F755-L760 HydrophobicContact CE2-CG 3.98Å; F755-L760 HydrophobicContact CZ-CD1 3.99Å; F755-L760 HydrophobicContact CZ-CD2 4.01Å; F755-L760 HydrophobicContact CZ-CG 4.07Å; F755-L760 WeakPolarHBondContact O-CB 3.49Å; F755-L760 VanDerWaalsContact O-CG 3.24Å; F755-L760 WeakPolarHBondContact O-CG 3.39Å; F755-L760 PolarHBondContact O-N 2.94Å
756	R	93	Very high	92.5	Very high	51 Å²	51	45 Å²	45	19%	0.192	21%	0.207	C	C	.	.	I	π-helix	trans	-69.2	-51.4	177.7	-177	-171.4	61.9	-138.6	-14.5	113	C752 D753 R754 L767 D769	C752-R756 PolarHBondContact O-N 3.35Å; D753-R756 PolarHBondContact O-N 2.88Å; D753-R756 IonicContact OD1-CZ 3.12Å; D753-R756 IonicContact OD1-NH1 3.44Å; D753-R756 IonicContact OD1-NH2 2.61Å; D753-R756 PolarHBondContact OD1-NH2 2.91Å; R754-R756 VanDerWaalsContact C-N 3.35Å; R754-R756 PolarHBondContact O-N 3.48Å; R756-L767 HydrophobicContact CB-CD2 4.19Å; R756-L767 WeakPolarHBondContact CD-O 3.47Å; R756-L767 HydrophobicContact CG-CB 3.99Å; R756-L767 HydrophobicContact CG-CD2 4.07Å; R756-L767 HydrophobicContact CG-CG 4.09Å; R756-L767 WeakPolarHBondContact CG-O 3.3Å; R756-D769 IonicContact CZ-OD2 2.85Å; R756-D769 IonicContact NH1-OD2 3.51Å; R756-D769 PolarHBondContact NH1-OD2 3.43Å
757	D	90.3	Very high	92.5	Very high	53 Å²	53	39.3 Å²	39.3	28%	0.283	18%	0.183	S	C	.	.	I	π-helix	trans	-95.9	-14.5	-162	-62.4	-32.8	0	0	0	113.8	D753	D753-D757 VanDerWaalsContact O-CB 3.28Å; D753-D757 WeakPolarHBondContact O-CB 3.39Å; D753-D757 PolarHBondContact O-N 3.34Å
758	I	90.7	Very high	92.3	Very high	75 Å²	75	36.9 Å²	36.9	39%	0.385	18%	0.176	S	C	.	.	I	π-helix	trans	-125.5	-61.5	-176	-56.7	179.1	0	0	0	110	R754 V761 N762	R754-I758 HydrophobicContact CG-CB 4.34Å; R754-I758 HydrophobicContact CG-CD1 4.3Å; R754-I758 WeakPolarHBondContact O-CA 3.36Å; R754-I758 WeakPolarHBondContact O-CB 3.45Å; R754-I758 PolarHBondContact O-N 2.87Å; I758-V761 PolarHBondContact O-N 3.26Å; I758-N762 WeakPolarHBondContact O-CB 3.45Å; I758-N762 VanDerWaalsContact O-CG 3.27Å; I758-N762 PolarHBondContact O-N 3.12Å; I758-N762 PolarHBondContact O-ND2 3.48Å
759	D	93	Very high	92	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.091	19%	0.187	C	C	.	.	I	π-helix	trans	-69.9	-49.9	-167.8	-54.9	-33.5	0	0	0	110.9	A641 R754 F755 V761 N762 S763	A641-D759 HydrophobicContact CB-CB 3.67Å; R754-D759 WeakPolarHBondContact CG-OD2 3.46Å; R754-D759 IonicContact NE-OD1 3.86Å; R754-D759 PolarHBondContact NE-OD1 2.89Å; R754-D759 IonicContact NE-OD2 3.41Å; R754-D759 PolarHBondContact NE-OD2 2.83Å; R754-D759 PolarHBondContact O-N 3.01Å; F755-D759 HydrophobicContact CD2-CB 4.43Å; D759-V761 PolarHBondContact O-N 3.44Å; D759-N762 WeakPolarHBondContact O-CB 3.34Å; D759-N762 PolarHBondContact O-N 3.27Å; D759-S763 PolarHBondContact O-N 3.43Å; D759-S763 PolarHBondContact O-OG 3.19Å; D759-S763 VanDerWaalsContact O-OG 3.1Å
760	L	93.6	Very high	91.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-36	175.5	-71.3	177.8	0	0	0	113.2	A641 V724 F755 N762 S763 G764 I765 L767	A641-L760 HydrophobicContact CB-CD2 4.34Å; V724-L760 HydrophobicContact CG2-CD1 4.2Å; F755-L760 HydrophobicContact CD1-CD1 4.27Å; F755-L760 HydrophobicContact CD2-CG 4.26Å; F755-L760 HydrophobicContact CE1-CD1 3.94Å; F755-L760 HydrophobicContact CE1-CG 4.43Å; F755-L760 HydrophobicContact CE2-CD1 4.37Å; F755-L760 HydrophobicContact CE2-CD2 3.97Å; F755-L760 HydrophobicContact CE2-CG 3.98Å; F755-L760 HydrophobicContact CZ-CD1 3.99Å; F755-L760 HydrophobicContact CZ-CD2 4.01Å; F755-L760 HydrophobicContact CZ-CG 4.07Å; F755-L760 WeakPolarHBondContact O-CB 3.49Å; F755-L760 VanDerWaalsContact O-CG 3.24Å; F755-L760 WeakPolarHBondContact O-CG 3.39Å; F755-L760 PolarHBondContact O-N 2.94Å; L760-N762 VanDerWaalsContact C-N 3.27Å; L760-N762 PolarHBondContact O-N 3.04Å; L760-S763 CarbonylContact O-C 3.59Å; L760-S763 WeakPolarHBondContact O-CA 3.47Å; L760-S763 VanDerWaalsContact O-CB 3.24Å; L760-S763 WeakPolarHBondContact O-CB 3.1Å; L760-S763 PolarHBondContact O-N 3.38Å; L760-G764 PolarHBondContact O-N 2.91Å; L760-I765 CarbonylContact C-O 3.58Å; L760-I765 HydrophobicContact CB-CB 4.16Å; L760-I765 HydrophobicContact CB-CG2 4.3Å; L760-I765 HydrophobicContact CD1-CG2 4.49Å; L760-I765 HydrophobicContact CD2-CB 4.36Å; L760-I765 HydrophobicContact CD2-CD1 4.14Å; L760-I765 HydrophobicContact CD2-CG2 4.31Å; L760-I765 PolarHBondContact O-N 3.31Å; L760-I765 VanDerWaalsContact O-O 3.1Å; L760-L767 HydrophobicContact CD1-CB 4Å; L760-L767 HydrophobicContact CD1-CD2 3.66Å; L760-L767 HydrophobicContact CD1-CG 4.42Å
761	V	91.7	Very high	90.7	Very high	19 Å²	19	34.2 Å²	34.2	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-41	174.7	165.1	0	0	0	0	110.8	I758 D759 S763 G764 I765 L794 I795	I758-V761 PolarHBondContact O-N 3.26Å; D759-V761 PolarHBondContact O-N 3.44Å; V761-S763 PolarHBondContact O-N 3.37Å; V761-G764 PolarHBondContact O-N 3.48Å; V761-I765 PolarHBondContact N-O 3.3Å; V761-L794 HydrophobicContact CG1-CB 3.81Å; V761-I795 HydrophobicContact CG1-CG1 4.42Å
762	N	89.3	Confident	89.8	Confident	67 Å²	67	37.2 Å²	37.2	36%	0.358	18%	0.182	S	C	.	.	H	α-helix	trans	-65.5	-20.1	175.6	-77.1	-37.7	0	0	0	113.7	I758 D759 L760 K791	I758-N762 WeakPolarHBondContact O-CB 3.45Å; I758-N762 VanDerWaalsContact O-CG 3.27Å; I758-N762 PolarHBondContact O-N 3.12Å; I758-N762 PolarHBondContact O-ND2 3.48Å; D759-N762 WeakPolarHBondContact O-CB 3.34Å; D759-N762 PolarHBondContact O-N 3.27Å; L760-N762 VanDerWaalsContact C-N 3.27Å; L760-N762 PolarHBondContact O-N 3.04Å; N762-K791 WeakPolarHBondContact O-CD 3.47Å; N762-K791 WeakPolarHBondContact O-CE 3.33Å; N762-K791 PolarHBondContact O-NZ 3.01Å
763	S	87.9	Confident	88.6	Confident	8 Å²	8	39.7 Å²	39.7	6%	0.056	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.1	173.6	-47.2	0	0	0	0	113.5	K637 D759 L760 V761 I765	K637-S763 VanDerWaalsContact C-OG 3.22Å; K637-S763 WeakPolarHBondContact CB-OG 3.3Å; K637-S763 PolarHBondContact O-OG 3.02Å; K637-S763 VanDerWaalsContact O-OG 3.07Å; D759-S763 PolarHBondContact O-N 3.43Å; D759-S763 PolarHBondContact O-OG 3.19Å; D759-S763 VanDerWaalsContact O-OG 3.1Å; L760-S763 CarbonylContact O-C 3.59Å; L760-S763 WeakPolarHBondContact O-CA 3.47Å; L760-S763 VanDerWaalsContact O-CB 3.24Å; L760-S763 WeakPolarHBondContact O-CB 3.1Å; L760-S763 PolarHBondContact O-N 3.38Å; V761-S763 PolarHBondContact O-N 3.37Å; S763-I765 VanDerWaalsContact C-N 3.29Å
764	G	90.7	Very high	87.7	Confident	9 Å²	9	41.2 Å²	41.2	9%	0.093	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	20.1	-172.6	0	0	0	0	0	113.1	L760 V761 L788 V789	L760-G764 PolarHBondContact O-N 2.91Å; V761-G764 PolarHBondContact O-N 3.48Å; G764-L788 WeakPolarHBondContact O-CA 3.18Å; G764-V789 PolarHBondContact O-N 2.67Å; G764-V789 VanDerWaalsContact O-O 3.06Å
765	I	93.1	Very high	86.8	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.7	-179.8	-64.8	162.1	0	0	0	109	L720 L760 V761 S763 I786 G787 L788	L720-I765 HydrophobicContact CD1-CD1 4.21Å; L720-I765 HydrophobicContact CD1-CG1 4.45Å; L720-I765 HydrophobicContact CD2-CD1 3.67Å; L760-I765 CarbonylContact C-O 3.58Å; L760-I765 HydrophobicContact CB-CB 4.16Å; L760-I765 HydrophobicContact CB-CG2 4.3Å; L760-I765 HydrophobicContact CD1-CG2 4.49Å; L760-I765 HydrophobicContact CD2-CB 4.36Å; L760-I765 HydrophobicContact CD2-CD1 4.14Å; L760-I765 HydrophobicContact CD2-CG2 4.31Å; L760-I765 PolarHBondContact O-N 3.31Å; L760-I765 VanDerWaalsContact O-O 3.1Å; V761-I765 PolarHBondContact N-O 3.3Å; S763-I765 VanDerWaalsContact C-N 3.29Å; I765-I786 HydrophobicContact CG2-CG2 4.01Å; I765-G787 CarbonylContact C-O 3.47Å; I765-G787 WeakPolarHBondContact CA-O 3.5Å; I765-L788 HydrophobicContact CG1-CD2 3.72Å
766	R	91.8	Very high	85.9	Confident	14 Å²	14	37.7 Å²	37.7	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.8	168.9	-172.8	-173.4	-80.4	176	-16.5	109.6	D473 Y476 Q768 I786 G787 V789 L794 E797	D473-R766 IonicContact OD1-CZ 3.64Å; D473-R766 IonicContact OD1-NH1 3.59Å; D473-R766 PolarHBondContact OD1-NH1 3.35Å; D473-R766 IonicContact OD1-NH2 2.91Å; D473-R766 PolarHBondContact OD1-NH2 3.25Å; Y476-R766 PolarHBondContact OH-O 3.18Å; Y476-R766 VanDerWaalsContact OH-O 3.09Å; R766-Q768 HydrophobicContact CG-CG 4.23Å; R766-I786 WeakPolarHBondContact O-CA 3.19Å; R766-G787 PolarHBondContact N-O 3.31Å; R766-G787 PolarHBondContact O-N 3.32Å; R766-V789 HydrophobicContact CB-CG2 4.11Å; R766-L794 HydrophobicContact CB-CD1 4.42Å; R766-L794 HydrophobicContact CB-CD2 3.95Å; R766-L794 HydrophobicContact CG-CD2 4.22Å; R766-E797 IonicContact CZ-OE2 3.13Å; R766-E797 IonicContact NE-OE2 2.77Å; R766-E797 IonicContact NH2-OE1 3.5Å; R766-E797 IonicContact NH2-OE2 2.97Å; R766-E797 PolarHBondContact NH2-OE2 3.15Å
767	L	92.5	Very high	84.9	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.052	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.8	176.1	177.6	65.7	0	0	0	109.8	V724 R727 R756 L760 P784 F785 I786	V724-L767 HydrophobicContact CG1-CD1 3.7Å; V724-L767 HydrophobicContact CG1-CD2 3.78Å; V724-L767 HydrophobicContact CG1-CG 4.43Å; V724-L767 HydrophobicContact CG2-CD1 4.25Å; V724-L767 HydrophobicContact CG2-CD2 4.23Å; R727-L767 VanDerWaalsContact NH1-CD2 3.34Å; R756-L767 HydrophobicContact CB-CD2 4.19Å; R756-L767 WeakPolarHBondContact CD-O 3.47Å; R756-L767 HydrophobicContact CG-CB 3.99Å; R756-L767 HydrophobicContact CG-CD2 4.07Å; R756-L767 HydrophobicContact CG-CG 4.09Å; R756-L767 WeakPolarHBondContact CG-O 3.3Å; L760-L767 HydrophobicContact CD1-CB 4Å; L760-L767 HydrophobicContact CD1-CD2 3.66Å; L760-L767 HydrophobicContact CD1-CG 4.42Å; L767-P784 HydrophobicContact CD1-CB 3.58Å; L767-P784 HydrophobicContact CD1-CG 3.64Å; L767-F785 WeakPolarHBondContact CA-O 3.41Å; L767-I786 HydrophobicContact CD1-CD1 4.42Å; L767-I786 HydrophobicContact CD1-CG1 3.8Å
768	Q	88.1	Confident	84.2	Confident	56 Å²	56	44.5 Å²	44.5	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121	179.1	-71.1	-175.1	0.4	0	0	111.6	Y476 R766 R770 P784 F785	Y476-Q768 HydrophobicContact CE1-CB 4.31Å; Y476-Q768 HydrophobicContact CE1-CG 4.07Å; R766-Q768 HydrophobicContact CG-CG 4.23Å; Q768-R770 PolarHBondContact O-N 2.85Å; Q768-P784 CarbonylContact O-C 3.4Å; Q768-P784 WeakPolarHBondContact O-CA 3.41Å; Q768-P784 WeakPolarHBondContact O-CB 3.5Å; Q768-F785 HydrophobicContact CB-CB 4.34Å; Q768-F785 PolarHBondContact N-O 3.34Å; Q768-F785 PolarHBondContact O-N 3.15Å
769	D	87.3	Confident	83.2	Confident	41 Å²	41	44.1 Å²	44.1	22%	0.219	25%	0.248	C	C	.	.			trans	-74.2	122	178.2	-65.9	-43.2	0	0	0	110.7	R727 R731 R756	R727-D769 IonicContact CZ-OD1 3.45Å; R727-D769 IonicContact CZ-OD2 3.5Å; R727-D769 IonicContact NH1-OD1 3.59Å; R727-D769 PolarHBondContact NH1-OD1 3.27Å; R727-D769 IonicContact NH1-OD2 3.68Å; R727-D769 IonicContact NH2-OD1 3.78Å; R727-D769 IonicContact NH2-OD2 2.96Å; R727-D769 PolarHBondContact NH2-OD2 2.82Å; R731-D769 IonicContact CZ-OD1 2.81Å; R731-D769 IonicContact CZ-OD2 3.77Å; R731-D769 IonicContact NH1-OD1 2.68Å; R731-D769 PolarHBondContact NH1-OD1 3.35Å; R731-D769 IonicContact NH1-OD2 3.15Å; R731-D769 IonicContact NH2-OD2 3.64Å; R756-D769 IonicContact CZ-OD2 2.85Å; R756-D769 IonicContact NH1-OD2 3.51Å; R756-D769 PolarHBondContact NH1-OD2 3.43Å
770	R	84.2	Confident	82.2	Confident	81 Å²	81	46.4 Å²	46.4	31%	0.306	26%	0.259	S	S	.	.			trans	-97.3	-23.2	176.6	-63.1	-52.2	-53.1	-173.5	4.3	114	F543 Q768 I782 F785	F543-R770 VanDerWaalsContact CE1-NH1 3.3Å; Q768-R770 PolarHBondContact O-N 2.85Å; R770-I782 HydrophobicContact CB-CB 4.18Å; R770-I782 HydrophobicContact CB-CG2 3.76Å; R770-I782 HydrophobicContact CG-CG2 4.49Å; R770-F785 HydrophobicContact CG-CD1 3.6Å; R770-F785 HydrophobicContact CG-CD2 4.34Å; R770-F785 HydrophobicContact CG-CE1 3.67Å; R770-F785 HydrophobicContact CG-CE2 4.38Å; R770-F785 HydrophobicContact CG-CG 3.97Å; R770-F785 HydrophobicContact CG-CZ 4.07Å
771	A	77	Confident	81.2	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	28%	0.277	C	S	.	.	S	Bend	trans	-95.7	125.6	172	0	0	0	0	0	110.9	R731 D775 L776	R731-A771 PolarHBondContact NH2-O 3.27Å; A771-D775 HydrophobicContact CB-CB 4.17Å; A771-L776 HydrophobicContact CB-CD2 3.85Å; A771-L776 HydrophobicContact CB-CG 4.05Å
772	T	74.1	Confident	80.6	Confident	74 Å²	74	50.3 Å²	50.3	45%	0.454	28%	0.279	S	S	.	.			trans	-72.6	165.6	170.9	71.8	0	0	0	0	110.8	I774 D775 L776	T772-I774 PolarHBondContact O-N 3.47Å; T772-I774 PolarHBondContact OG1-N 2.75Å; T772-D775 WeakPolarHBondContact CA-OD2 3.22Å; T772-D775 VanDerWaalsContact CB-OD2 3.25Å; T772-D775 WeakPolarHBondContact CB-OD2 3.45Å; T772-D775 WeakPolarHBondContact CG2-OD2 3.39Å; T772-D775 PolarHBondContact N-OD2 3.07Å; T772-D775 PolarHBondContact O-N 2.85Å; T772-D775 VanDerWaalsContact O-N 3.1Å; T772-D775 PolarHBondContact OG1-N 3.25Å; T772-D775 VanDerWaalsContact OG1-N 3.17Å; T772-D775 PolarHBondContact OG1-OD2 3.2Å; T772-L776 WeakPolarHBondContact O-CG 3.31Å; T772-L776 PolarHBondContact O-N 3Å
773	A	70.6	Confident	80.3	Confident	55 Å²	55	48.1 Å²	48.1	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-29.8	173.5	0	0	0	0	0	112.5	S777	A773-S777 WeakPolarHBondContact O-CB 3.36Å; A773-S777 PolarHBondContact O-N 2.86Å; A773-S777 PolarHBondContact O-OG 3.19Å
774	I	72.3	Confident	80.3	Confident	99 Å²	99	47.9 Å²	47.9	51%	0.508	27%	0.267	S	S	.	.	H	α-helix	trans	-70.8	-44	176.2	-61.7	173.4	0	0	0	109.8	T772 L776 S777 R778	T772-I774 PolarHBondContact O-N 3.47Å; T772-I774 PolarHBondContact OG1-N 2.75Å; I774-L776 PolarHBondContact O-N 2.8Å; I774-S777 WeakPolarHBondContact CA-OG 3.24Å; I774-S777 PolarHBondContact O-N 3.09Å; I774-S777 PolarHBondContact O-OG 3.27Å; I774-R778 WeakPolarHBondContact O-CG 3.49Å; I774-R778 PolarHBondContact O-N 2.93Å; I774-R778 VanDerWaalsContact O-N 3.07Å
775	D	76.4	Confident	80.4	Confident	42 Å²	42	47.5 Å²	47.5	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177.7	-56.3	-38.4	0	0	0	110.7	A771 T772 S777 R778 G779 L780	A771-D775 HydrophobicContact CB-CB 4.17Å; T772-D775 WeakPolarHBondContact CA-OD2 3.22Å; T772-D775 VanDerWaalsContact CB-OD2 3.25Å; T772-D775 WeakPolarHBondContact CB-OD2 3.45Å; T772-D775 WeakPolarHBondContact CG2-OD2 3.39Å; T772-D775 PolarHBondContact N-OD2 3.07Å; T772-D775 PolarHBondContact O-N 2.85Å; T772-D775 VanDerWaalsContact O-N 3.1Å; T772-D775 PolarHBondContact OG1-N 3.25Å; T772-D775 VanDerWaalsContact OG1-N 3.17Å; T772-D775 PolarHBondContact OG1-OD2 3.2Å; D775-S777 VanDerWaalsContact C-N 3.32Å; D775-S777 PolarHBondContact O-N 2.95Å; D775-R778 CarbonylContact O-C 3.41Å; D775-R778 WeakPolarHBondContact O-CA 3.39Å; D775-R778 WeakPolarHBondContact O-CB 3.28Å; D775-R778 PolarHBondContact O-N 3.18Å; D775-G779 PolarHBondContact O-N 3.44Å; D775-L780 CarbonylContact C-O 3.58Å; D775-L780 HydrophobicContact CB-CB 4.02Å; D775-L780 WeakPolarHBondContact O-CB 3.3Å; D775-L780 PolarHBondContact O-N 3.24Å
776	L	76.8	Confident	80.3	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-41.6	176.1	-65.9	175.5	0	0	0	112	R731 K732 A771 T772 I774 R778 G779	R731-L776 HydrophobicContact CB-CD1 4.08Å; K732-L776 HydrophobicContact CG-CD2 4.01Å; A771-L776 HydrophobicContact CB-CD2 3.85Å; A771-L776 HydrophobicContact CB-CG 4.05Å; T772-L776 WeakPolarHBondContact O-CG 3.31Å; T772-L776 PolarHBondContact O-N 3Å; I774-L776 PolarHBondContact O-N 2.8Å; L776-R778 PolarHBondContact O-N 3.33Å; L776-G779 PolarHBondContact O-N 2.96Å
777	S	72	Confident	80.2	Confident	68 Å²	68	47.1 Å²	47.1	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-23.3	176.4	74.6	0	0	0	0	113.6	A773 I774 D775 G779	A773-S777 WeakPolarHBondContact O-CB 3.36Å; A773-S777 PolarHBondContact O-N 2.86Å; A773-S777 PolarHBondContact O-OG 3.19Å; I774-S777 WeakPolarHBondContact CA-OG 3.24Å; I774-S777 PolarHBondContact O-N 3.09Å; I774-S777 PolarHBondContact O-OG 3.27Å; D775-S777 VanDerWaalsContact C-N 3.32Å; D775-S777 PolarHBondContact O-N 2.95Å; S777-G779 VanDerWaalsContact C-N 3.33Å
778	R	75.9	Confident	80.1	Confident	180 Å²	180	47.2 Å²	47.2	68%	0.679	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	1.4	174.7	-68.5	172	177.9	171.7	-2.2	112.8	I774 D775 L776 L780	I774-R778 WeakPolarHBondContact O-CG 3.49Å; I774-R778 PolarHBondContact O-N 2.93Å; I774-R778 VanDerWaalsContact O-N 3.07Å; D775-R778 CarbonylContact O-C 3.41Å; D775-R778 WeakPolarHBondContact O-CA 3.39Å; D775-R778 WeakPolarHBondContact O-CB 3.28Å; D775-R778 PolarHBondContact O-N 3.18Å; L776-R778 PolarHBondContact O-N 3.33Å; R778-L780 VanDerWaalsContact C-N 3.3Å; R778-L780 HydrophobicContact CB-CD1 4.46Å; R778-L780 HydrophobicContact CB-CG 4.38Å
779	G	69.4	Low	80	Confident	66 Å²	66	45 Å²	45	68%	0.68	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	9.4	-176.1	0	0	0	0	0	114.5	D775 L776 S777 D781	D775-G779 PolarHBondContact O-N 3.44Å; L776-G779 PolarHBondContact O-N 2.96Å; S777-G779 VanDerWaalsContact C-N 3.33Å; G779-D781 PolarHBondContact O-N 3Å
780	L	71.1	Confident	79.8	Confident	65 Å²	65	46.6 Å²	46.6	34%	0.34	26%	0.263	S	S	.	.			trans	-84	106.1	175.2	-60.3	171.8	0	0	0	108.7	P548 D775 R778	P548-L780 HydrophobicContact CB-CD2 4.1Å; P548-L780 HydrophobicContact CG-CB 4.13Å; P548-L780 HydrophobicContact CG-CD2 3.74Å; P548-L780 HydrophobicContact CG-CG 4.43Å; D775-L780 CarbonylContact C-O 3.58Å; D775-L780 HydrophobicContact CB-CB 4.02Å; D775-L780 WeakPolarHBondContact O-CB 3.3Å; D775-L780 PolarHBondContact O-N 3.24Å; R778-L780 VanDerWaalsContact C-N 3.3Å; R778-L780 HydrophobicContact CB-CD1 4.46Å; R778-L780 HydrophobicContact CB-CG 4.38Å
781	D	73.4	Confident	79.8	Confident	69 Å²	69	46.5 Å²	46.5	37%	0.369	27%	0.265	S	S	.	.			trans	-114.3	94	-178.7	-173.6	49.3	0	0	0	111.1	K732 G779	K732-D781 WeakPolarHBondContact CE-OD1 3.11Å; K732-D781 WeakPolarHBondContact CE-OD2 3.3Å; K732-D781 IonicContact NZ-OD1 3.91Å; K732-D781 IonicContact NZ-OD2 3.5Å; K732-D781 PolarHBondContact NZ-OD2 3.21Å; G779-D781 PolarHBondContact O-N 3Å
782	I	77.9	Confident	80.2	Confident	33 Å²	33	54.4 Å²	54.4	17%	0.169	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-90.4	122.3	170.6	-57.3	172.8	0	0	0	107.2	L484 I546 P548 R770	L484-I782 HydrophobicContact CD1-CG2 4.24Å; I546-I782 HydrophobicContact CG2-CD1 4.05Å; P548-I782 HydrophobicContact CG-CD1 4.2Å; P548-I782 HydrophobicContact CG-CG1 3.88Å; R770-I782 HydrophobicContact CB-CB 4.18Å; R770-I782 HydrophobicContact CB-CG2 3.76Å; R770-I782 HydrophobicContact CG-CG2 4.49Å
783	S	82.9	Confident	80.5	Confident	21 Å²	21	52.2 Å²	52.2	15%	0.147	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-52.6	133.1	175	-168.3	0	0	0	0	109.7	H721	H721-S783 PolarHBondContact ND1-OG 2.94Å
784	P	89.3	Confident	81.2	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.019	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.7	153.9	178.7	31.3	-37.4	0	0	0	109.5	H721 V724 N728 L767 Q768	H721-P784 PolarHBondContact CE1-O 3.15Å; V724-P784 HydrophobicContact CG1-CG 3.84Å; N728-P784 WeakPolarHBondContact ND2-CD 3.49Å; N728-P784 WeakPolarHBondContact ND2-CG 3.45Å; L767-P784 HydrophobicContact CD1-CB 3.58Å; L767-P784 HydrophobicContact CD1-CG 3.64Å; Q768-P784 CarbonylContact O-C 3.4Å; Q768-P784 WeakPolarHBondContact O-CA 3.41Å; Q768-P784 WeakPolarHBondContact O-CB 3.5Å
785	F	91.4	Very high	81.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.8	174.2	-69.4	2.6	0	0	0	109.1	Y476 T477 N480 I481 L484 F543 L767 Q768 R770	Y476-F785 HydrophobicContact CE1-CB 3.56Å; Y476-F785 HydrophobicContact CE1-CD2 4.17Å; Y476-F785 HydrophobicContact CE1-CG 4.41Å; Y476-F785 HydrophobicContact CE2-CB 4.39Å; Y476-F785 WeakPolarHBondContact OH-CB 3.3Å; Y476-F785 PolarHBondContact OH-O 2.86Å; T477-F785 HydrophobicContact CG2-CE2 4.09Å; N480-F785 HydrophobicContact CB-CB 3.93Å; N480-F785 HydrophobicContact CB-CD1 3.48Å; N480-F785 VanDerWaalsContact CB-CD1 3.48Å; N480-F785 HydrophobicContact CB-CD2 3.75Å; N480-F785 HydrophobicContact CB-CE1 3.82Å; N480-F785 HydrophobicContact CB-CE2 4.07Å; N480-F785 HydrophobicContact CB-CG 3.44Å; N480-F785 VanDerWaalsContact CB-CG 3.44Å; N480-F785 HydrophobicContact CB-CZ 4.1Å; N480-F785 VanDerWaalsContact CG-CB 3.45Å; N480-F785 WeakPolarHBondContact OD1-CA 3.37Å; I481-F785 HydrophobicContact CD1-CZ 3.82Å; L484-F785 HydrophobicContact CD1-CE1 3.79Å; F543-F785 HydrophobicContact CE1-CE2 4.33Å; L767-F785 WeakPolarHBondContact CA-O 3.41Å; Q768-F785 HydrophobicContact CB-CB 4.34Å; Q768-F785 PolarHBondContact N-O 3.34Å; Q768-F785 PolarHBondContact O-N 3.15Å; R770-F785 HydrophobicContact CG-CD1 3.6Å; R770-F785 HydrophobicContact CG-CD2 4.34Å; R770-F785 HydrophobicContact CG-CE1 3.67Å; R770-F785 HydrophobicContact CG-CE2 4.38Å; R770-F785 HydrophobicContact CG-CG 3.97Å; R770-F785 HydrophobicContact CG-CZ 4.07Å
786	I	92.3	Very high	81.9	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.4	179.8	-61.2	-176.2	0	0	0	109.8	Y476 N480 L717 L720 H721 V724 I765 R766 L767	Y476-I786 VanDerWaalsContact CE2-O 3.31Å; Y476-I786 WeakPolarHBondContact CE2-O 3.5Å; Y476-I786 WeakPolarHBondContact OH-CA 3.2Å; Y476-I786 PolarHBondContact OH-N 3.44Å; Y476-I786 VanDerWaalsContact OH-N 3.13Å; N480-I786 PolarHBondContact ND2-O 2.91Å; N480-I786 PolarHBondContact OD1-N 2.91Å; N480-I786 PolarHBondContact OD1-O 3.24Å; L717-I786 HydrophobicContact CD1-CB 4.37Å; L720-I786 HydrophobicContact CB-CD1 4.19Å; L720-I786 HydrophobicContact CB-CG2 3.94Å; L720-I786 HydrophobicContact CD1-CG2 3.9Å; L720-I786 WeakPolarHBondContact O-CD1 3.1Å; H721-I786 HydrophobicContact CB-CD1 4.26Å; H721-I786 WeakPolarHBondContact ND1-CD1 3.37Å; V724-I786 HydrophobicContact CB-CD1 4.02Å; V724-I786 HydrophobicContact CG2-CD1 3.78Å; I765-I786 HydrophobicContact CG2-CG2 4.01Å; R766-I786 WeakPolarHBondContact O-CA 3.19Å; L767-I786 HydrophobicContact CD1-CD1 4.42Å; L767-I786 HydrophobicContact CD1-CG1 3.8Å
787	G	88.6	Confident	82	Confident	5 Å²	5	50 Å²	50	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.7	-176.3	0	0	0	0	0	113.3	Y476 I765 R766	Y476-G787 VanDerWaalsContact CE2-N 3.32Å; I765-G787 CarbonylContact C-O 3.47Å; I765-G787 WeakPolarHBondContact CA-O 3.5Å; R766-G787 PolarHBondContact N-O 3.31Å; R766-G787 PolarHBondContact O-N 3.32Å
788	L	91.1	Very high	82.3	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.7	171.1	-62.6	-177.1	0	0	0	108.6	W620 L626 R630 L631 S634 W713 L720 G764 I765	W620-L788 HydrophobicContact CH2-CB 4.09Å; W620-L788 HydrophobicContact CZ3-CB 4.12Å; W620-L788 HydrophobicContact CZ3-CD1 4.24Å; L626-L788 HydrophobicContact CD1-CD1 4.19Å; R630-L788 VanDerWaalsContact NH2-C 3.29Å; R630-L788 PolarHBondContact NH2-O 2.82Å; L631-L788 HydrophobicContact CD2-CD1 4.31Å; S634-L788 VanDerWaalsContact CB-CD2 3.48Å; W713-L788 HydrophobicContact CE3-CD1 3.7Å; W713-L788 HydrophobicContact CE3-CG 4.34Å; W713-L788 HydrophobicContact CH2-CD1 3.98Å; W713-L788 HydrophobicContact CH2-CG 3.68Å; W713-L788 HydrophobicContact CZ3-CD1 3.24Å; W713-L788 HydrophobicContact CZ3-CD2 4.32Å; W713-L788 HydrophobicContact CZ3-CG 3.43Å; W713-L788 VanDerWaalsContact CZ3-CG 3.43Å; L720-L788 HydrophobicContact CD1-CD2 4.34Å; G764-L788 WeakPolarHBondContact O-CA 3.18Å; I765-L788 HydrophobicContact CG1-CD2 3.72Å
789	V	86	Confident	82.4	Confident	11 Å²	11	43.5 Å²	43.5	7%	0.067	24%	0.242	C	C	.	.			trans	-123.5	150.6	178.3	-175.7	0	0	0	0	108.2	I472 R630 G764 R766 K791 F793 L794	I472-V789 HydrophobicContact CG2-CG1 4.39Å; R630-V789 VanDerWaalsContact NH2-CA 3.31Å; G764-V789 PolarHBondContact O-N 2.67Å; G764-V789 VanDerWaalsContact O-O 3.06Å; R766-V789 HydrophobicContact CB-CG2 4.11Å; V789-K791 PolarHBondContact O-N 3.1Å; V789-F793 HydrophobicContact CG1-CB 4.46Å; V789-F793 HydrophobicContact CG1-CD1 3.6Å; V789-F793 HydrophobicContact CG1-CE1 4.29Å; V789-F793 HydrophobicContact CG1-CG 4.39Å; V789-L794 HydrophobicContact CB-CD1 4.06Å; V789-L794 HydrophobicContact CB-CD2 3.85Å; V789-L794 HydrophobicContact CB-CG 3.89Å; V789-L794 HydrophobicContact CG1-CD2 3.88Å; V789-L794 HydrophobicContact CG1-CG 4.01Å; V789-L794 HydrophobicContact CG2-CD2 4.37Å
790	D	83.2	Confident	82.8	Confident	74 Å²	74	44.4 Å²	44.4	40%	0.396	23%	0.229	S	C	.	.			trans	-52.7	128.2	175.4	-172.7	-62.9	0	0	0	110.3	K792 F793 L794	D790-K792 VanDerWaalsContact C-N 3.29Å; D790-K792 PolarHBondContact O-N 3.13Å; D790-K792 WeakPolarHBondContact OD1-CA 3.38Å; D790-K792 WeakPolarHBondContact OD1-CB 3.3Å; D790-K792 PolarHBondContact OD1-N 3.32Å; D790-F793 HydrophobicContact CB-CB 4.19Å; D790-F793 WeakPolarHBondContact O-CB 3.28Å; D790-F793 PolarHBondContact O-N 3.17Å; D790-F793 VanDerWaalsContact O-N 3.16Å; D790-L794 PolarHBondContact O-N 2.96Å
791	K	85.3	Confident	83	Confident	79 Å²	79	44.4 Å²	44.4	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-58.4	-39.5	-177.7	176.2	176	177.9	162.2	0	112.3	N762 V789 F793 L794 I795	N762-K791 WeakPolarHBondContact O-CD 3.47Å; N762-K791 WeakPolarHBondContact O-CE 3.33Å; N762-K791 PolarHBondContact O-NZ 3.01Å; V789-K791 PolarHBondContact O-N 3.1Å; K791-F793 VanDerWaalsContact C-N 3.31Å; K791-F793 PolarHBondContact O-N 3.17Å; K791-L794 PolarHBondContact O-N 3.11Å; K791-I795 HydrophobicContact CD-CD1 4.33Å; K791-I795 HydrophobicContact CG-CD1 3.72Å; K791-I795 HydrophobicContact CG-CG1 4.35Å; K791-I795 VanDerWaalsContact O-CG1 3.26Å; K791-I795 WeakPolarHBondContact O-CG1 3.44Å; K791-I795 PolarHBondContact O-N 3.34Å
792	K	83.7	Confident	83.3	Confident	170 Å²	170	46.6 Å²	46.6	74%	0.739	24%	0.24	S	C	*	.	H	α-helix	trans	-62.3	-42.6	178.9	-61.2	177.2	178.8	175	0	110.4	D790 I795 S796	D790-K792 VanDerWaalsContact C-N 3.29Å; D790-K792 PolarHBondContact O-N 3.13Å; D790-K792 WeakPolarHBondContact OD1-CA 3.38Å; D790-K792 WeakPolarHBondContact OD1-CB 3.3Å; D790-K792 PolarHBondContact OD1-N 3.32Å; K792-I795 PolarHBondContact O-N 2.95Å; K792-S796 PolarHBondContact O-N 2.99Å; K792-S796 PolarHBondContact O-OG 3.49Å
793	F	81.5	Confident	83.3	Confident	28 Å²	28	48.6 Å²	48.6	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-42.7	176.9	-177.6	-93.7	0	0	0	112.2	K469 I472 V789 D790 K791 S796 E797	K469-F793 HydrophobicContact CB-CZ 3.96Å; K469-F793 HydrophobicContact CG-CZ 4.06Å; I472-F793 HydrophobicContact CD1-CE1 4.21Å; I472-F793 HydrophobicContact CD1-CE2 4.21Å; I472-F793 HydrophobicContact CD1-CZ 4.02Å; V789-F793 HydrophobicContact CG1-CB 4.46Å; V789-F793 HydrophobicContact CG1-CD1 3.6Å; V789-F793 HydrophobicContact CG1-CE1 4.29Å; V789-F793 HydrophobicContact CG1-CG 4.39Å; D790-F793 HydrophobicContact CB-CB 4.19Å; D790-F793 WeakPolarHBondContact O-CB 3.28Å; D790-F793 PolarHBondContact O-N 3.17Å; D790-F793 VanDerWaalsContact O-N 3.16Å; K791-F793 VanDerWaalsContact C-N 3.31Å; K791-F793 PolarHBondContact O-N 3.17Å; F793-S796 PolarHBondContact O-N 2.63Å; F793-S796 PolarHBondContact O-OG 3.13Å; F793-E797 WeakPolarHBondContact O-CB 3.35Å; F793-E797 PolarHBondContact O-N 3.3Å
794	L	84.6	Confident	83.1	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-39.2	176.6	-65.3	179	0	0	0	112.5	V761 R766 V789 D790 K791 H798	V761-L794 HydrophobicContact CG1-CB 3.81Å; R766-L794 HydrophobicContact CB-CD1 4.42Å; R766-L794 HydrophobicContact CB-CD2 3.95Å; R766-L794 HydrophobicContact CG-CD2 4.22Å; V789-L794 HydrophobicContact CB-CD1 4.06Å; V789-L794 HydrophobicContact CB-CD2 3.85Å; V789-L794 HydrophobicContact CB-CG 3.89Å; V789-L794 HydrophobicContact CG1-CD2 3.88Å; V789-L794 HydrophobicContact CG1-CG 4.01Å; V789-L794 HydrophobicContact CG2-CD2 4.37Å; D790-L794 PolarHBondContact O-N 2.96Å; K791-L794 PolarHBondContact O-N 3.11Å; L794-H798 VanDerWaalsContact O-CB 3.32Å; L794-H798 WeakPolarHBondContact O-CB 3.43Å; L794-H798 PolarHBondContact O-N 3.36Å
795	I	83.8	Confident	82.5	Confident	77 Å²	77	61.9 Å²	61.9	40%	0.395	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-44.6	177.5	-69.6	168.8	0	0	0	110.7	V761 K791 K792 H798 S799	V761-I795 HydrophobicContact CG1-CG1 4.42Å; K791-I795 HydrophobicContact CD-CD1 4.33Å; K791-I795 HydrophobicContact CG-CD1 3.72Å; K791-I795 HydrophobicContact CG-CG1 4.35Å; K791-I795 VanDerWaalsContact O-CG1 3.26Å; K791-I795 WeakPolarHBondContact O-CG1 3.44Å; K791-I795 PolarHBondContact O-N 3.34Å; K792-I795 PolarHBondContact O-N 2.95Å; I795-H798 PolarHBondContact O-N 3.16Å; I795-S799 PolarHBondContact O-N 3.49Å
796	S	80.4	Confident	82	Confident	46 Å²	46	66 Å²	66	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-46.9	178.2	63.2	0	0	0	0	110.8	K792 F793 H798 S799 E800	K792-S796 PolarHBondContact O-N 2.99Å; K792-S796 PolarHBondContact O-OG 3.49Å; F793-S796 PolarHBondContact O-N 2.63Å; F793-S796 PolarHBondContact O-OG 3.13Å; S796-H798 VanDerWaalsContact C-N 3.31Å; S796-H798 PolarHBondContact O-N 3.44Å; S796-S799 PolarHBondContact O-N 3.41Å; S796-S799 VanDerWaalsContact O-N 3.13Å; S796-S799 PolarHBondContact O-OG 3.46Å; S796-E800 WeakPolarHBondContact O-CG 3.22Å; S796-E800 PolarHBondContact O-N 3.33Å
797	E	78.3	Confident	81.3	Confident	35 Å²	35	71 Å²	71	16%	0.164	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-41.9	176.7	-176.9	-178	-167.5	0	0	112.6	K469 R766 F793 E800 S801	K469-E797 WeakPolarHBondContact CE-OE1 3.41Å; K469-E797 IonicContact NZ-OE1 3.88Å; K469-E797 PolarHBondContact NZ-OE1 2.88Å; R766-E797 IonicContact CZ-OE2 3.13Å; R766-E797 IonicContact NE-OE2 2.77Å; R766-E797 IonicContact NH2-OE1 3.5Å; R766-E797 IonicContact NH2-OE2 2.97Å; R766-E797 PolarHBondContact NH2-OE2 3.15Å; F793-E797 WeakPolarHBondContact O-CB 3.35Å; F793-E797 PolarHBondContact O-N 3.3Å; E797-E800 PolarHBondContact O-N 3.06Å; E797-S801 WeakPolarHBondContact O-CB 3.48Å; E797-S801 PolarHBondContact O-N 3.04Å; E797-S801 PolarHBondContact O-OG 3.06Å
798	H	77.3	Confident	80.9	Confident	53 Å²	53	73.9 Å²	73.9	25%	0.245	37%	0.369	C	S	.	.	H	α-helix	trans	-66	-39.7	177.8	-172.8	81.1	0	0	0	111.7	L794 I795 S796 K802	L794-H798 VanDerWaalsContact O-CB 3.32Å; L794-H798 WeakPolarHBondContact O-CB 3.43Å; L794-H798 PolarHBondContact O-N 3.36Å; I795-H798 PolarHBondContact O-N 3.16Å; S796-H798 VanDerWaalsContact C-N 3.31Å; S796-H798 PolarHBondContact O-N 3.44Å; H798-K802 PolarHBondContact CD2-NZ 3.44Å; H798-K802 WeakPolarHBondContact NE2-CE 3.21Å; H798-K802 PolarHBondContact NE2-NZ 2.64Å; H798-K802 WeakPolarHBondContact O-CG 3.39Å; H798-K802 PolarHBondContact O-N 3.16Å; H798-K802 VanDerWaalsContact O-N 3.09Å
799	S	78.2	Confident	80.4	Confident	59 Å²	59	79.4 Å²	79.4	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-44.7	175.7	75	0	0	0	0	112	I795 S796 S801 K802 T803	I795-S799 PolarHBondContact O-N 3.49Å; S796-S799 PolarHBondContact O-N 3.41Å; S796-S799 VanDerWaalsContact O-N 3.13Å; S796-S799 PolarHBondContact O-OG 3.46Å; S799-S801 PolarHBondContact O-N 3.12Å; S799-K802 WeakPolarHBondContact O-CB 3.13Å; S799-K802 PolarHBondContact O-N 3.28Å; S799-T803 PolarHBondContact O-N 2.73Å; S799-T803 PolarHBondContact O-OG1 3.4Å; S799-T803 VanDerWaalsContact O-OG1 3.07Å
800	E	77.7	Confident	80.1	Confident	85 Å²	85	82.5 Å²	82.5	40%	0.397	41%	0.411	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176	-73.7	177.5	-159.3	0	0	112	S796 E797 K802 T803 K804	S796-E800 WeakPolarHBondContact O-CG 3.22Å; S796-E800 PolarHBondContact O-N 3.33Å; E797-E800 PolarHBondContact O-N 3.06Å; E800-K802 VanDerWaalsContact C-N 3.28Å; E800-K802 PolarHBondContact O-N 3.2Å; E800-T803 PolarHBondContact O-N 2.86Å; E800-K804 WeakPolarHBondContact O-CB 3.35Å; E800-K804 WeakPolarHBondContact O-CG 3.45Å; E800-K804 PolarHBondContact O-N 3.18Å
801	S	76.6	Confident	79.8	Confident	64 Å²	64	83.9 Å²	83.9	45%	0.448	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-37.1	178.3	-62.7	0	0	0	0	111.6	E797 S799 R805	E797-S801 WeakPolarHBondContact O-CB 3.48Å; E797-S801 PolarHBondContact O-N 3.04Å; E797-S801 PolarHBondContact O-OG 3.06Å; S799-S801 PolarHBondContact O-N 3.12Å; S801-R805 VanDerWaalsContact O-CB 3.31Å; S801-R805 WeakPolarHBondContact O-CB 3.4Å; S801-R805 PolarHBondContact O-N 2.81Å; S801-R805 VanDerWaalsContact O-N 3.08Å
802	K	78.5	Confident	79.4	Confident	116 Å²	116	86.2 Å²	86.2	50%	0.504	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-48.6	172.2	-81	172.1	163.5	164.8	0	111.4	H798 S799 E800 R805 V806	H798-K802 PolarHBondContact CD2-NZ 3.44Å; H798-K802 WeakPolarHBondContact NE2-CE 3.21Å; H798-K802 PolarHBondContact NE2-NZ 2.64Å; H798-K802 WeakPolarHBondContact O-CG 3.39Å; H798-K802 PolarHBondContact O-N 3.16Å; H798-K802 VanDerWaalsContact O-N 3.09Å; S799-K802 WeakPolarHBondContact O-CB 3.13Å; S799-K802 PolarHBondContact O-N 3.28Å; E800-K802 VanDerWaalsContact C-N 3.28Å; E800-K802 PolarHBondContact O-N 3.2Å; K802-R805 PolarHBondContact O-N 3.16Å; K802-V806 WeakPolarHBondContact O-CG2 3.4Å; K802-V806 PolarHBondContact O-N 2.7Å
803	T	79.6	Confident	79.1	Confident	75 Å²	75	82.3 Å²	82.3	46%	0.46	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-51.2	178.4	-55.9	0	0	0	0	111.4	S799 E800 R805 V806 E807	S799-T803 PolarHBondContact O-N 2.73Å; S799-T803 PolarHBondContact O-OG1 3.4Å; S799-T803 VanDerWaalsContact O-OG1 3.07Å; E800-T803 PolarHBondContact O-N 2.86Å; T803-R805 VanDerWaalsContact C-N 3.26Å; T803-R805 PolarHBondContact O-N 3.24Å; T803-V806 WeakPolarHBondContact O-CB 3.45Å; T803-V806 PolarHBondContact O-N 2.66Å; T803-E807 HydrophobicContact CG2-CG 4.47Å; T803-E807 WeakPolarHBondContact O-CG 3.21Å; T803-E807 PolarHBondContact O-N 3.43Å
804	K	76.7	Confident	78.8	Confident	126 Å²	126	84.8 Å²	84.8	55%	0.548	43%	0.426	S	S	.	.	H	α-helix	trans	-56.8	-37.9	176.1	-73.8	176	179.4	169.5	0	112.3	E800 T808	E800-K804 WeakPolarHBondContact O-CB 3.35Å; E800-K804 WeakPolarHBondContact O-CG 3.45Å; E800-K804 PolarHBondContact O-N 3.18Å; K804-T808 VanDerWaalsContact O-CB 3.23Å; K804-T808 WeakPolarHBondContact O-CB 3.06Å; K804-T808 PolarHBondContact O-N 2.59Å; K804-T808 PolarHBondContact O-OG1 3.23Å
805	R	78.1	Confident	78.1	Confident	177 Å²	177	88 Å²	88	67%	0.668	45%	0.446	S	S	*	.	H	α-helix	trans	-69.1	-36.1	177.1	-169.1	177	-174.8	-174.1	2.2	112.2	S801 K802 T803 K809	S801-R805 VanDerWaalsContact O-CB 3.31Å; S801-R805 WeakPolarHBondContact O-CB 3.4Å; S801-R805 PolarHBondContact O-N 2.81Å; S801-R805 VanDerWaalsContact O-N 3.08Å; K802-R805 PolarHBondContact O-N 3.16Å; T803-R805 VanDerWaalsContact C-N 3.26Å; T803-R805 PolarHBondContact O-N 3.24Å; R805-K809 VanDerWaalsContact O-CG 3.26Å; R805-K809 WeakPolarHBondContact O-CG 3.33Å; R805-K809 PolarHBondContact O-N 3.09Å; R805-K809 VanDerWaalsContact O-N 3.14Å
806	V	81.6	Confident	77.5	Confident	89 Å²	89	88.8 Å²	88.8	54%	0.539	45%	0.446	S	S	.	.	H	α-helix	trans	-68.7	-49.8	174.4	174.1	0	0	0	0	110.1	K802 T803 T808 K809 V810	K802-V806 WeakPolarHBondContact O-CG2 3.4Å; K802-V806 PolarHBondContact O-N 2.7Å; T803-V806 WeakPolarHBondContact O-CB 3.45Å; T803-V806 PolarHBondContact O-N 2.66Å; V806-T808 PolarHBondContact O-N 2.81Å; V806-K809 WeakPolarHBondContact O-CB 3.48Å; V806-K809 PolarHBondContact O-N 2.89Å; V806-V810 HydrophobicContact CG1-CG2 4.43Å; V806-V810 WeakPolarHBondContact O-CG2 3.41Å; V806-V810 PolarHBondContact O-N 2.86Å
807	E	77.1	Confident	77	Confident	106 Å²	106	93.2 Å²	93.2	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-57	-47.7	176.4	-71.7	172.4	176	0	0	111.6	T803 K809 V810 I811	T803-E807 HydrophobicContact CG2-CG 4.47Å; T803-E807 WeakPolarHBondContact O-CG 3.21Å; T803-E807 PolarHBondContact O-N 3.43Å; E807-K809 VanDerWaalsContact C-N 3.26Å; E807-K809 PolarHBondContact O-N 2.86Å; E807-V810 PolarHBondContact O-N 3.36Å; E807-V810 VanDerWaalsContact O-N 3.12Å; E807-I811 WeakPolarHBondContact O-CB 3.12Å; E807-I811 VanDerWaalsContact O-CG1 3.32Å; E807-I811 WeakPolarHBondContact O-CG1 3.49Å; E807-I811 PolarHBondContact O-N 2.74Å
808	T	78.9	Confident	76.8	Confident	65 Å²	65	97.8 Å²	97.8	40%	0.399	48%	0.483	S	S	.	.	H	α-helix	trans	-59.9	-36.6	176.7	-59	0	0	0	0	111.8	K804 V806 K812	K804-T808 VanDerWaalsContact O-CB 3.23Å; K804-T808 WeakPolarHBondContact O-CB 3.06Å; K804-T808 PolarHBondContact O-N 2.59Å; K804-T808 PolarHBondContact O-OG1 3.23Å; V806-T808 PolarHBondContact O-N 2.81Å; T808-K812 HydrophobicContact CG2-CD 4.05Å; T808-K812 HydrophobicContact CG2-CG 4.5Å; T808-K812 VanDerWaalsContact O-CB 3.24Å; T808-K812 WeakPolarHBondContact O-CB 3.22Å; T808-K812 WeakPolarHBondContact O-CG 3.29Å; T808-K812 PolarHBondContact O-N 3.34Å
809	K	82	Confident	76.8	Confident	127 Å²	127	97.2 Å²	97.2	55%	0.552	48%	0.483	S	S	*	.	H	α-helix	trans	-68.5	-43.4	175.3	-78.6	174.5	179.6	-177.2	0	111.4	R805 V806 E807 K812 E813	R805-K809 VanDerWaalsContact O-CG 3.26Å; R805-K809 WeakPolarHBondContact O-CG 3.33Å; R805-K809 PolarHBondContact O-N 3.09Å; R805-K809 VanDerWaalsContact O-N 3.14Å; V806-K809 WeakPolarHBondContact O-CB 3.48Å; V806-K809 PolarHBondContact O-N 2.89Å; E807-K809 VanDerWaalsContact C-N 3.26Å; E807-K809 PolarHBondContact O-N 2.86Å; K809-K812 PolarHBondContact O-N 2.7Å; K809-E813 WeakPolarHBondContact O-CB 3.36Å; K809-E813 PolarHBondContact O-N 2.54Å
810	V	80	Confident	76.9	Confident	76 Å²	76	94.5 Å²	94.5	46%	0.461	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-49.3	177.8	173	0	0	0	0	110.6	V806 E807 K812 E813 I814	V806-V810 HydrophobicContact CG1-CG2 4.43Å; V806-V810 WeakPolarHBondContact O-CG2 3.41Å; V806-V810 PolarHBondContact O-N 2.86Å; E807-V810 PolarHBondContact O-N 3.36Å; E807-V810 VanDerWaalsContact O-N 3.12Å; V810-K812 VanDerWaalsContact C-N 3.34Å; V810-K812 PolarHBondContact O-N 2.82Å; V810-E813 CarbonylContact O-C 3.56Å; V810-E813 WeakPolarHBondContact O-CA 3.18Å; V810-E813 PolarHBondContact O-N 3Å; V810-I814 HydrophobicContact CG1-CD1 3.83Å; V810-I814 HydrophobicContact CG1-CG1 4.41Å; V810-I814 WeakPolarHBondContact O-CG1 3.16Å; V810-I814 PolarHBondContact O-N 2.82Å
811	I	75.6	Confident	77.1	Confident	103 Å²	103	95.5 Å²	95.5	53%	0.528	47%	0.469	S	S	.	.	H	α-helix	trans	-58.2	-46.6	175.9	-66.7	166.5	0	0	0	110.4	E807 E813 I814 V815	E807-I811 WeakPolarHBondContact O-CB 3.12Å; E807-I811 VanDerWaalsContact O-CG1 3.32Å; E807-I811 WeakPolarHBondContact O-CG1 3.49Å; E807-I811 PolarHBondContact O-N 2.74Å; I811-E813 PolarHBondContact O-N 2.95Å; I811-I814 PolarHBondContact O-N 2.94Å; I811-V815 HydrophobicContact CG2-CG2 4.31Å; I811-V815 WeakPolarHBondContact O-CB 3.34Å; I811-V815 VanDerWaalsContact O-CG2 3.28Å; I811-V815 WeakPolarHBondContact O-CG2 3.32Å; I811-V815 PolarHBondContact O-N 3.24Å
812	K	76.7	Confident	77.5	Confident	128 Å²	128	94.7 Å²	94.7	56%	0.557	46%	0.46	S	S	*	.	H	α-helix	trans	-59.9	-34.7	175.3	-79	174.7	-179	176.8	0	112.3	T808 K809 V810 K816	T808-K812 HydrophobicContact CG2-CD 4.05Å; T808-K812 HydrophobicContact CG2-CG 4.5Å; T808-K812 VanDerWaalsContact O-CB 3.24Å; T808-K812 WeakPolarHBondContact O-CB 3.22Å; T808-K812 WeakPolarHBondContact O-CG 3.29Å; T808-K812 PolarHBondContact O-N 3.34Å; K809-K812 PolarHBondContact O-N 2.7Å; V810-K812 VanDerWaalsContact C-N 3.34Å; V810-K812 PolarHBondContact O-N 2.82Å; K812-K816 WeakPolarHBondContact O-CB 3.29Å; K812-K816 WeakPolarHBondContact O-CG 3.39Å; K812-K816 PolarHBondContact O-N 3.12Å
813	E	78.4	Confident	77.9	Confident	89 Å²	89	90 Å²	90	42%	0.416	44%	0.44	S	S	.	.	H	α-helix	trans	-75.6	-39.3	178.7	-154.5	61.1	-153.1	0	0	112.3	K809 V810 I811 K816 Q817	K809-E813 WeakPolarHBondContact O-CB 3.36Å; K809-E813 PolarHBondContact O-N 2.54Å; V810-E813 CarbonylContact O-C 3.56Å; V810-E813 WeakPolarHBondContact O-CA 3.18Å; V810-E813 PolarHBondContact O-N 3Å; I811-E813 PolarHBondContact O-N 2.95Å; E813-K816 WeakPolarHBondContact O-CB 3.43Å; E813-K816 PolarHBondContact O-N 3.31Å; E813-K816 WeakPolarHBondContact OE2-CD 3.46Å; E813-K816 IonicContact OE2-NZ 3.33Å; E813-K816 PolarHBondContact OE2-NZ 2.59Å; E813-Q817 WeakPolarHBondContact O-CG 3.28Å; E813-Q817 PolarHBondContact O-N 3.22Å
814	I	74.8	Confident	78.3	Confident	79 Å²	79	86.7 Å²	86.7	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-51.8	172.2	-67.1	168.2	0	0	0	110.1	V810 I811 K816 Q817 E818	V810-I814 HydrophobicContact CG1-CD1 3.83Å; V810-I814 HydrophobicContact CG1-CG1 4.41Å; V810-I814 WeakPolarHBondContact O-CG1 3.16Å; V810-I814 PolarHBondContact O-N 2.82Å; I811-I814 PolarHBondContact O-N 2.94Å; I814-K816 PolarHBondContact O-N 2.89Å; I814-Q817 PolarHBondContact O-N 3.17Å; I814-E818 HydrophobicContact CG2-CG 4.31Å; I814-E818 PolarHBondContact O-N 3.41Å
815	V	70.8	Confident	79	Confident	74 Å²	74	87.3 Å²	87.3	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-38.3	176.7	171.9	0	0	0	0	111	I811 T819	I811-V815 HydrophobicContact CG2-CG2 4.31Å; I811-V815 WeakPolarHBondContact O-CB 3.34Å; I811-V815 VanDerWaalsContact O-CG2 3.28Å; I811-V815 WeakPolarHBondContact O-CG2 3.32Å; I811-V815 PolarHBondContact O-N 3.24Å; V815-T819 HydrophobicContact CG1-CG2 4.39Å; V815-T819 WeakPolarHBondContact O-CB 3.28Å; V815-T819 VanDerWaalsContact O-CG2 3.29Å; V815-T819 WeakPolarHBondContact O-CG2 3.18Å; V815-T819 PolarHBondContact O-N 3.42Å; V815-T819 PolarHBondContact O-OG1 3.34Å
816	K	70.8	Confident	79.5	Confident	92 Å²	92	83.4 Å²	83.4	40%	0.4	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-38.5	174.6	-81.2	171.5	-166.9	170.6	0	112.9	K812 E813 I814 T819 R871	K812-K816 WeakPolarHBondContact O-CB 3.29Å; K812-K816 WeakPolarHBondContact O-CG 3.39Å; K812-K816 PolarHBondContact O-N 3.12Å; E813-K816 WeakPolarHBondContact O-CB 3.43Å; E813-K816 PolarHBondContact O-N 3.31Å; E813-K816 WeakPolarHBondContact OE2-CD 3.46Å; E813-K816 IonicContact OE2-NZ 3.33Å; E813-K816 PolarHBondContact OE2-NZ 2.59Å; I814-K816 PolarHBondContact O-N 2.89Å; K816-T819 PolarHBondContact O-OG1 2.86Å; K816-R871 WeakPolarHBondContact O-CD 3.46Å
817	Q	70.3	Confident	79.8	Confident	140 Å²	140	80.5 Å²	80.5	65%	0.654	39%	0.39	S	S	*	.	H	α-helix	trans	-72.1	-46.1	178.6	-72.7	179	3.4	0	0	111.3	E813 I814 T819 G820	E813-Q817 WeakPolarHBondContact O-CG 3.28Å; E813-Q817 PolarHBondContact O-N 3.22Å; I814-Q817 PolarHBondContact O-N 3.17Å; Q817-T819 VanDerWaalsContact C-N 3.32Å; Q817-T819 PolarHBondContact O-N 2.93Å; Q817-G820 PolarHBondContact O-N 3.02Å; Q817-G820 VanDerWaalsContact O-N 3.08Å
818	E	72.8	Confident	80.4	Confident	131 Å²	131	75.7 Å²	75.7	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-38.7	179.2	-71.8	-177.9	163.9	0	0	111.9	I814 G820 H821	I814-E818 HydrophobicContact CG2-CG 4.31Å; I814-E818 PolarHBondContact O-N 3.41Å; E818-G820 PolarHBondContact O-N 2.99Å; E818-H821 PolarHBondContact O-CE1 3.29Å; E818-H821 PolarHBondContact O-ND1 2.98Å
819	T	76.8	Confident	80.8	Confident	40 Å²	40	76.3 Å²	76.3	25%	0.245	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-73.8	-3.7	176.9	52.1	0	0	0	0	114.2	V815 K816 Q817 H821 I822 Q868 R871	V815-T819 HydrophobicContact CG1-CG2 4.39Å; V815-T819 WeakPolarHBondContact O-CB 3.28Å; V815-T819 VanDerWaalsContact O-CG2 3.29Å; V815-T819 WeakPolarHBondContact O-CG2 3.18Å; V815-T819 PolarHBondContact O-N 3.42Å; V815-T819 PolarHBondContact O-OG1 3.34Å; K816-T819 PolarHBondContact O-OG1 2.86Å; Q817-T819 VanDerWaalsContact C-N 3.32Å; Q817-T819 PolarHBondContact O-N 2.93Å; T819-H821 VanDerWaalsContact C-N 3.26Å; T819-H821 PolarHBondContact O-N 3.47Å; T819-I822 PolarHBondContact O-N 3.06Å; T819-Q868 PolarHBondContact O-NE2 2.91Å; T819-R871 PolarHBondContact OG1-NH1 3Å
820	G	80.2	Confident	80.7	Confident	2 Å²	2	74.8 Å²	74.8	2%	0.021	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.9	-177.7	0	0	0	0	0	114.6	Q817 E818 I822 H872	Q817-G820 PolarHBondContact O-N 3.02Å; Q817-G820 VanDerWaalsContact O-N 3.08Å; E818-G820 PolarHBondContact O-N 2.99Å; G820-I822 PolarHBondContact O-N 2.81Å; G820-H872 VanDerWaalsContact O-CA 3.27Å; G820-H872 WeakPolarHBondContact O-CA 3.37Å; G820-H872 PolarHBondContact O-ND1 3.1Å
821	H	82	Confident	80.9	Confident	106 Å²	106	73.6 Å²	73.6	49%	0.491	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-69.1	-21.3	178.5	68.3	-84.3	0	0	0	113.9	E818 T819 P823 H872 F875	E818-H821 PolarHBondContact O-CE1 3.29Å; E818-H821 PolarHBondContact O-ND1 2.98Å; T819-H821 VanDerWaalsContact C-N 3.26Å; T819-H821 PolarHBondContact O-N 3.47Å; H821-P823 WeakPolarHBondContact O-CD 3.45Å; H821-H872 PolarHBondContact O-CE1 3.12Å; H821-H872 PolarHBondContact O-ND1 3.03Å; H821-F875 HydrophobicContact CB-CD1 4.15Å; H821-F875 HydrophobicContact CB-CD2 4.2Å; H821-F875 HydrophobicContact CB-CE1 3.65Å; H821-F875 HydrophobicContact CB-CE2 3.7Å; H821-F875 HydrophobicContact CB-CG 4.4Å; H821-F875 HydrophobicContact CB-CZ 3.38Å
822	I	85.2	Confident	81.3	Confident	48 Å²	48	74 Å²	74	25%	0.246	37%	0.37	C	S	.	.	S	Bend	trans	-74.7	120.5	-179.8	-55.7	172.5	0	0	0	108.2	T819 G820 E826 Q868 H872	T819-I822 PolarHBondContact O-N 3.06Å; G820-I822 PolarHBondContact O-N 2.81Å; I822-E826 HydrophobicContact CG2-CB 4.07Å; I822-Q868 PolarHBondContact O-NE2 3.28Å; I822-H872 PolarHBondContact O-ND1 3.01Å
823	P	88.6	Confident	81.7	Confident	16 Å²	16	73.2 Å²	73.2	10%	0.104	37%	0.372	C	S	.	.			trans	-65.6	148.9	176.3	26.1	-31.2	0	0	0	110.9	H821 W825 E826 L827	H821-P823 WeakPolarHBondContact O-CD 3.45Å; P823-W825 HydrophobicContact CB-CD2 3.91Å; P823-W825 HydrophobicContact CB-CE3 4.32Å; P823-W825 HydrophobicContact CB-CH2 3.84Å; P823-W825 HydrophobicContact CB-CZ2 3.37Å; P823-W825 HydrophobicContact CB-CZ3 4.29Å; P823-W825 HydrophobicContact CG-CZ2 4.05Å; P823-W825 PolarHBondContact O-N 2.87Å; P823-E826 HydrophobicContact CG-CB 4.02Å; P823-E826 VanDerWaalsContact CG-CD 3.41Å; P823-E826 HydrophobicContact CG-CG 3.92Å; P823-E826 PolarHBondContact O-N 2.95Å; P823-L827 PolarHBondContact O-N 2.92Å
824	P	86.8	Confident	82.1	Confident	7 Å²	7	73.7 Å²	73.7	5%	0.045	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-59.2	-33.7	-172.6	22.3	-32.7	0	0	0	113.2	E826 L827 Y865 Q868 E869	P824-E826 PolarHBondContact O-N 2.84Å; P824-L827 VanDerWaalsContact O-CB 3.26Å; P824-L827 WeakPolarHBondContact O-CB 3.14Å; P824-L827 PolarHBondContact O-N 3.48Å; P824-Y865 VanDerWaalsContact C-CE2 3.45Å; P824-Y865 HydrophobicContact CB-CD1 4.34Å; P824-Y865 HydrophobicContact CB-CE1 3.93Å; P824-Y865 HydrophobicContact CB-CE2 4.17Å; P824-Y865 WeakPolarHBondContact O-CD2 3.18Å; P824-Y865 WeakPolarHBondContact O-CE2 3.41Å; P824-Q868 HydrophobicContact CB-CB 4.38Å; P824-Q868 HydrophobicContact CB-CG 4.23Å; P824-E869 HydrophobicContact CB-CB 4.45Å; P824-E869 HydrophobicContact CB-CG 3.61Å; P824-E869 HydrophobicContact CG-CB 4.46Å; P824-E869 HydrophobicContact CG-CG 3.69Å
825	W	91	Very high	82.9	Confident	138 Å²	138	71.8 Å²	71.8	52%	0.523	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-71.5	-11.7	176.7	55.5	81.4	0	0	0	114.8	P823 L829 K841	P823-W825 HydrophobicContact CB-CD2 3.91Å; P823-W825 HydrophobicContact CB-CE3 4.32Å; P823-W825 HydrophobicContact CB-CH2 3.84Å; P823-W825 HydrophobicContact CB-CZ2 3.37Å; P823-W825 HydrophobicContact CB-CZ3 4.29Å; P823-W825 HydrophobicContact CG-CZ2 4.05Å; P823-W825 PolarHBondContact O-N 2.87Å; W825-L829 WeakPolarHBondContact O-CD1 3.06Å; W825-K841 VanDerWaalsContact CA-O 3.31Å; W825-K841 WeakPolarHBondContact CA-O 3.43Å; W825-K841 WeakPolarHBondContact CB-O 3.5Å
826	E	89.6	Confident	83.8	Confident	96 Å²	96	71 Å²	71	45%	0.449	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-100.6	-11.4	173.9	-73.6	170.7	-152.6	0	0	113	I822 P823 P824 F828 L829	I822-E826 HydrophobicContact CG2-CB 4.07Å; P823-E826 HydrophobicContact CG-CB 4.02Å; P823-E826 VanDerWaalsContact CG-CD 3.41Å; P823-E826 HydrophobicContact CG-CG 3.92Å; P823-E826 PolarHBondContact O-N 2.95Å; P824-E826 PolarHBondContact O-N 2.84Å; E826-F828 PolarHBondContact O-N 2.92Å; E826-L829 HydrophobicContact CG-CD1 4.28Å; E826-L829 PolarHBondContact O-N 2.92Å
827	L	86.8	Confident	84.7	Confident	27 Å²	27	72.1 Å²	72.1	14%	0.141	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-40.7	-169.5	178.7	63.4	0	0	0	114.2	P823 P824 Q868	P823-L827 PolarHBondContact O-N 2.92Å; P824-L827 VanDerWaalsContact O-CB 3.26Å; P824-L827 WeakPolarHBondContact O-CB 3.14Å; P824-L827 PolarHBondContact O-N 3.48Å; L827-Q868 HydrophobicContact CB-CG 4.35Å; L827-Q868 HydrophobicContact CD1-CB 4.37Å; L827-Q868 HydrophobicContact CD1-CG 3.98Å; L827-Q868 HydrophobicContact CD2-CB 3.65Å; L827-Q868 HydrophobicContact CD2-CG 4.04Å; L827-Q868 HydrophobicContact CG-CB 4.49Å; L827-Q868 HydrophobicContact CG-CG 4.35Å
828	F	89.9	Confident	85.7	Confident	5 Å²	5	68.1 Å²	68.1	2%	0.022	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-9.5	-175.9	-55.1	-68.5	0	0	0	113.6	E826 S830 E831 F838 M843 P844 L861 L864 Y865	E826-F828 PolarHBondContact O-N 2.92Å; F828-S830 PolarHBondContact O-N 3.06Å; F828-E831 PolarHBondContact O-N 3.2Å; F828-F838 HydrophobicContact CB-CD1 4.33Å; F828-F838 HydrophobicContact CB-CE1 3.89Å; F828-F838 WeakPolarHBondContact O-CE1 3.49Å; F828-F838 WeakPolarHBondContact O-CZ 3.24Å; F828-M843 HydrophobicContact CD2-SD 4.14Å; F828-M843 HydrophobicContact CE2-SD 3.61Å; F828-P844 HydrophobicContact CB-CG 3.61Å; F828-P844 HydrophobicContact CD1-CG 4.26Å; F828-P844 VanDerWaalsContact CD2-CD 3.42Å; F828-P844 HydrophobicContact CD2-CG 4.16Å; F828-P844 HydrophobicContact CG-CG 3.77Å; F828-L861 HydrophobicContact CD1-CD2 4Å; F828-L861 HydrophobicContact CE1-CD2 3.47Å; F828-L861 VanDerWaalsContact CE1-CD2 3.47Å; F828-L861 HydrophobicContact CE2-CD2 4.41Å; F828-L861 HydrophobicContact CZ-CB 4.28Å; F828-L861 HydrophobicContact CZ-CD2 3.69Å; F828-L864 HydrophobicContact CE1-CB 4.38Å; F828-L864 HydrophobicContact CE1-CD1 4.31Å; F828-L864 HydrophobicContact CZ-CB 3.86Å; F828-L864 HydrophobicContact CZ-CD1 4.48Å; F828-Y865 HydrophobicContact CE2-CD2 4.1Å
829	L	87.1	Confident	86.5	Confident	78 Å²	78	65.2 Å²	65.2	41%	0.408	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.6	-174.1	-66.9	-178.6	0	0	0	112.4	W825 E826 F838	W825-L829 WeakPolarHBondContact O-CD1 3.06Å; E826-L829 HydrophobicContact CG-CD1 4.28Å; E826-L829 PolarHBondContact O-N 2.92Å; L829-F838 HydrophobicContact CD2-CB 4.08Å; L829-F838 HydrophobicContact CD2-CD1 4Å; L829-F838 HydrophobicContact CD2-CD2 4.08Å; L829-F838 HydrophobicContact CD2-CE1 4.46Å; L829-F838 HydrophobicContact CD2-CG 3.78Å
830	S	80.2	Confident	87.1	Confident	96 Å²	96	69.5 Å²	69.5	67%	0.671	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.9	175	56.9	0	0	0	0	114.3	F828 V832	F828-S830 PolarHBondContact O-N 3.06Å; S830-V832 PolarHBondContact O-N 2.99Å; S830-V832 VanDerWaalsContact O-N 3.07Å
831	E	85.5	Confident	87.4	Confident	51 Å²	51	75.5 Å²	75.5	24%	0.238	39%	0.389	C	S	.	.			trans	-87.4	50.3	-177.2	-62.4	-166.3	-154.3	0	0	112	F828 D833 K834 Y835	F828-E831 PolarHBondContact O-N 3.2Å; E831-D833 WeakPolarHBondContact CA-OD1 3.4Å; E831-D833 PolarHBondContact O-N 3.42Å; E831-K834 PolarHBondContact O-N 3.42Å; E831-K834 WeakPolarHBondContact OE2-CD 3.28Å; E831-K834 WeakPolarHBondContact OE2-CE 3.34Å; E831-K834 IonicContact OE2-NZ 2.76Å; E831-K834 PolarHBondContact OE2-NZ 3.41Å; E831-Y835 HydrophobicContact CB-CD2 3.89Å; E831-Y835 HydrophobicContact CB-CE2 4.13Å; E831-Y835 PolarHBondContact O-N 3.39Å
832	V	83.4	Confident	87.7	Confident	110 Å²	110	70.7 Å²	70.7	67%	0.667	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17	-178.9	-64	0	0	0	0	113.4	S830 K834	S830-V832 PolarHBondContact O-N 2.99Å; S830-V832 VanDerWaalsContact O-N 3.07Å; V832-K834 VanDerWaalsContact C-N 3.29Å
833	D	85.6	Confident	88	Confident	113 Å²	113	68.8 Å²	68.8	60%	0.604	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.4	171.5	63.9	-48.1	0	0	0	112.7	E831 A848	E831-D833 WeakPolarHBondContact CA-OD1 3.4Å; E831-D833 PolarHBondContact O-N 3.42Å; D833-A848 VanDerWaalsContact O-CB 3.28Å; D833-A848 WeakPolarHBondContact O-CB 3.5Å
834	K	86.3	Confident	88.2	Confident	98 Å²	98	68 Å²	68	43%	0.426	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-26.1	-177.2	-60.4	-174.7	-152.6	149.5	0	114	E831 V832 D847 A848	E831-K834 PolarHBondContact O-N 3.42Å; E831-K834 WeakPolarHBondContact OE2-CD 3.28Å; E831-K834 WeakPolarHBondContact OE2-CE 3.34Å; E831-K834 IonicContact OE2-NZ 2.76Å; E831-K834 PolarHBondContact OE2-NZ 3.41Å; V832-K834 VanDerWaalsContact C-N 3.29Å; K834-D847 CarbonylContact O-C 3.58Å; K834-D847 WeakPolarHBondContact O-CA 3.42Å; K834-A848 PolarHBondContact O-N 3.04Å
835	Y	90.9	Very high	88.4	Confident	40 Å²	40	69.8 Å²	69.8	16%	0.157	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.9	-171.8	-53	-62.4	0	0	0	111.9	E831 F838 P844 H846 L853 L861	E831-Y835 HydrophobicContact CB-CD2 3.89Å; E831-Y835 HydrophobicContact CB-CE2 4.13Å; E831-Y835 PolarHBondContact O-N 3.39Å; Y835-F838 HydrophobicContact CD2-CE1 4.41Å; Y835-F838 HydrophobicContact CG-CE1 4.46Å; Y835-P844 HydrophobicContact CD1-CB 3.42Å; Y835-P844 VanDerWaalsContact CD1-CB 3.42Å; Y835-P844 HydrophobicContact CD1-CG 3.93Å; Y835-P844 HydrophobicContact CD2-CB 3.96Å; Y835-P844 HydrophobicContact CD2-CG 3.54Å; Y835-P844 HydrophobicContact CE1-CB 3.91Å; Y835-P844 HydrophobicContact CE1-CG 4.17Å; Y835-P844 HydrophobicContact CE2-CB 4.38Å; Y835-P844 HydrophobicContact CE2-CG 3.81Å; Y835-P844 HydrophobicContact CG-CB 3.46Å; Y835-P844 VanDerWaalsContact CG-CB 3.46Å; Y835-P844 HydrophobicContact CG-CG 3.62Å; Y835-H846 WeakPolarHBondContact CA-O 3.46Å; Y835-L853 HydrophobicContact CD1-CD1 3.99Å; Y835-L853 HydrophobicContact CD1-CD2 4.48Å; Y835-L853 HydrophobicContact CE1-CD1 3.99Å; Y835-L853 HydrophobicContact CE1-CD2 4.26Å; Y835-L861 HydrophobicContact CE1-CD1 4.33Å; Y835-L861 HydrophobicContact CE2-CD2 4.49Å
836	S	89.8	Confident	88.5	Confident	56 Å²	56	64.6 Å²	64.6	39%	0.392	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-24.1	-176.6	58.9	0	0	0	0	114.5	H846 D847 G850	S836-H846 PolarHBondContact N-O 3.09Å; S836-H846 WeakPolarHBondContact OG-CB 3.4Å; S836-D847 VanDerWaalsContact CB-O 3.24Å; S836-D847 WeakPolarHBondContact CB-O 3.41Å; S836-D847 PolarHBondContact N-O 3.16Å; S836-D847 PolarHBondContact OG-O 3.01Å; S836-G850 WeakPolarHBondContact OG-CA 3.04Å
837	K	89.9	Confident	88.5	Confident	116 Å²	116	62.3 Å²	62.3	50%	0.504	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.1	-178.4	-67.8	179.5	-176.5	168.3	0	111.3	T845 H846	K837-T845 WeakPolarHBondContact CB-OG1 3.48Å; K837-T845 PolarHBondContact O-N 3.17Å; K837-T845 PolarHBondContact O-OG1 2.9Å; K837-H846 HydrophobicContact CB-CB 4.13Å
838	F	91.9	Very high	88.4	Confident	57 Å²	57	63.8 Å²	63.8	25%	0.25	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.5	-178.3	-54.1	-95	0	0	0	110.6	F828 L829 Y835 M843 P844	F828-F838 HydrophobicContact CB-CD1 4.33Å; F828-F838 HydrophobicContact CB-CE1 3.89Å; F828-F838 WeakPolarHBondContact O-CE1 3.49Å; F828-F838 WeakPolarHBondContact O-CZ 3.24Å; L829-F838 HydrophobicContact CD2-CB 4.08Å; L829-F838 HydrophobicContact CD2-CD1 4Å; L829-F838 HydrophobicContact CD2-CD2 4.08Å; L829-F838 HydrophobicContact CD2-CE1 4.46Å; L829-F838 HydrophobicContact CD2-CG 3.78Å; Y835-F838 HydrophobicContact CD2-CE1 4.41Å; Y835-F838 HydrophobicContact CG-CE1 4.46Å; F838-M843 CarbonylContact C-O 3.5Å; F838-M843 WeakPolarHBondContact CA-O 3.15Å; F838-P844 HydrophobicContact CD1-CB 4.29Å; F838-P844 HydrophobicContact CD1-CG 4.01Å; F838-P844 HydrophobicContact CE1-CB 4.28Å; F838-P844 HydrophobicContact CE1-CG 3.85Å
839	D	90.2	Very high	88.3	Confident	69 Å²	69	68.3 Å²	68.3	37%	0.369	39%	0.385	S	S	.	.			trans	-83.8	-177.8	172.9	76.7	4.3	0	0	0	112.4	K841 G842 M843 T845	D839-K841 PolarHBondContact O-N 3.4Å; D839-K841 VanDerWaalsContact O-N 3.13Å; D839-K841 WeakPolarHBondContact OD1-CA 3.23Å; D839-K841 WeakPolarHBondContact OD1-CB 3.32Å; D839-K841 PolarHBondContact OD1-N 2.9Å; D839-G842 PolarHBondContact O-N 3.03Å; D839-G842 PolarHBondContact OD1-N 2.89Å; D839-M843 PolarHBondContact N-O 2.93Å; D839-M843 WeakPolarHBondContact OD1-CB 3.24Å; D839-M843 PolarHBondContact OD1-N 3.49Å; D839-T845 HydrophobicContact CB-CG2 4.05Å
840	S	87.6	Confident	88.2	Confident	131 Å²	131	66.2 Å²	66.2	92%	0.916	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.4	179.4	53.2	0	0	0	0	114.7
841	K	88.2	Confident	88.6	Confident	127 Å²	127	66.2 Å²	66.2	55%	0.552	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	1.9	175.4	-63.1	-173.9	177.9	-174.8	0	112.6	W825 D839 M843 Y865	W825-K841 VanDerWaalsContact CA-O 3.31Å; W825-K841 WeakPolarHBondContact CA-O 3.43Å; W825-K841 WeakPolarHBondContact CB-O 3.5Å; D839-K841 PolarHBondContact O-N 3.4Å; D839-K841 VanDerWaalsContact O-N 3.13Å; D839-K841 WeakPolarHBondContact OD1-CA 3.23Å; D839-K841 WeakPolarHBondContact OD1-CB 3.32Å; D839-K841 PolarHBondContact OD1-N 2.9Å; K841-M843 VanDerWaalsContact C-N 3.33Å; K841-Y865 WeakPolarHBondContact O-CE2 3.47Å; K841-Y865 PolarHBondContact O-OH 3.49Å; K841-Y865 VanDerWaalsContact O-OH 3.06Å
842	G	87.5	Confident	88.9	Confident	6 Å²	6	71.3 Å²	71.3	6%	0.062	40%	0.399	C	S	.	.	S	Bend	trans	79.1	13.5	-174.4	0	0	0	0	0	113.9	D839	D839-G842 PolarHBondContact O-N 3.03Å; D839-G842 PolarHBondContact OD1-N 2.89Å
843	M	91.9	Very high	89.1	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.034	37%	0.374	C	S	.	.			trans	-81.6	133.2	178.1	-76.7	-76.1	-62.4	0	0	111.1	F828 F838 D839 K841 T845 L861 Q862 Y865	F828-M843 HydrophobicContact CD2-SD 4.14Å; F828-M843 HydrophobicContact CE2-SD 3.61Å; F838-M843 CarbonylContact C-O 3.5Å; F838-M843 WeakPolarHBondContact CA-O 3.15Å; D839-M843 PolarHBondContact N-O 2.93Å; D839-M843 WeakPolarHBondContact OD1-CB 3.24Å; D839-M843 PolarHBondContact OD1-N 3.49Å; K841-M843 VanDerWaalsContact C-N 3.33Å; M843-T845 PolarHBondContact O-N 3.02Å; M843-L861 HydrophobicContact CE-CB 3.59Å; M843-L861 HydrophobicContact SD-CB 4.49Å; M843-Q862 HydrophobicContact CE-CB 4.23Å; M843-Y865 HydrophobicContact CG-CD2 3.94Å; M843-Y865 HydrophobicContact CG-CE2 4.23Å; M843-Y865 HydrophobicContact CG-CG 4.47Å; M843-Y865 HydrophobicContact SD-CD2 3.52Å; M843-Y865 VanDerWaalsContact SD-CD2 3.52Å; M843-Y865 HydrophobicContact SD-CE2 4.39Å; M843-Y865 HydrophobicContact SD-CG 3.81Å
844	P	92.4	Very high	89.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	136.1	173.8	-22.8	31.2	0	0	0	112.1	F828 Y835 F838 L853 L858 L861	F828-P844 HydrophobicContact CB-CG 3.61Å; F828-P844 HydrophobicContact CD1-CG 4.26Å; F828-P844 VanDerWaalsContact CD2-CD 3.42Å; F828-P844 HydrophobicContact CD2-CG 4.16Å; F828-P844 HydrophobicContact CG-CG 3.77Å; Y835-P844 HydrophobicContact CD1-CB 3.42Å; Y835-P844 VanDerWaalsContact CD1-CB 3.42Å; Y835-P844 HydrophobicContact CD1-CG 3.93Å; Y835-P844 HydrophobicContact CD2-CB 3.96Å; Y835-P844 HydrophobicContact CD2-CG 3.54Å; Y835-P844 HydrophobicContact CE1-CB 3.91Å; Y835-P844 HydrophobicContact CE1-CG 4.17Å; Y835-P844 HydrophobicContact CE2-CB 4.38Å; Y835-P844 HydrophobicContact CE2-CG 3.81Å; Y835-P844 HydrophobicContact CG-CB 3.46Å; Y835-P844 VanDerWaalsContact CG-CB 3.46Å; Y835-P844 HydrophobicContact CG-CG 3.62Å; F838-P844 HydrophobicContact CD1-CB 4.29Å; F838-P844 HydrophobicContact CD1-CG 4.01Å; F838-P844 HydrophobicContact CE1-CB 4.28Å; F838-P844 HydrophobicContact CE1-CG 3.85Å; P844-L853 HydrophobicContact CB-CD1 3.67Å; P844-L858 VanDerWaalsContact O-CD2 3.29Å; P844-L858 WeakPolarHBondContact O-CD2 3.37Å; P844-L861 HydrophobicContact CB-CD1 3.82Å; P844-L861 HydrophobicContact CG-CD1 3.89Å; P844-L861 HydrophobicContact CG-CD2 4.25Å
845	T	91.6	Very high	89	Confident	44 Å²	44	71 Å²	71	27%	0.27	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-27.6	174.7	55.4	0	0	0	0	111.9	K837 D839 M843 L853	K837-T845 WeakPolarHBondContact CB-OG1 3.48Å; K837-T845 PolarHBondContact O-N 3.17Å; K837-T845 PolarHBondContact O-OG1 2.9Å; D839-T845 HydrophobicContact CB-CG2 4.05Å; M843-T845 PolarHBondContact O-N 3.02Å; T845-L853 PolarHBondContact O-N 2.94Å
846	H	92.7	Very high	88.4	Confident	30 Å²	30	72.7 Å²	72.7	14%	0.139	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.7	-177.4	-61.7	66.4	0	0	0	111	Y835 S836 K837 G850 N851 E852	Y835-H846 WeakPolarHBondContact CA-O 3.46Å; S836-H846 PolarHBondContact N-O 3.09Å; S836-H846 WeakPolarHBondContact OG-CB 3.4Å; K837-H846 HydrophobicContact CB-CB 4.13Å; H846-G850 PolarHBondContact CD2-O 3.44Å; H846-G850 VanDerWaalsContact CD2-O 3.29Å; H846-N851 CarbonylContact C-O 3.51Å; H846-N851 WeakPolarHBondContact CA-O 3.26Å; H846-N851 WeakPolarHBondContact CB-O 3.48Å; H846-E852 WeakPolarHBondContact NE2-CG 3.29Å
847	D	88.4	Confident	88	Confident	47 Å²	47	71.3 Å²	71.3	25%	0.251	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	176.1	172.7	69.3	19.5	0	0	0	112.1	K834 S836 S849 G850 N851 L853	K834-D847 CarbonylContact O-C 3.58Å; K834-D847 WeakPolarHBondContact O-CA 3.42Å; S836-D847 VanDerWaalsContact CB-O 3.24Å; S836-D847 WeakPolarHBondContact CB-O 3.41Å; S836-D847 PolarHBondContact N-O 3.16Å; S836-D847 PolarHBondContact OG-O 3.01Å; D847-S849 PolarHBondContact O-N 3.24Å; D847-S849 WeakPolarHBondContact OD1-CA 3.15Å; D847-S849 WeakPolarHBondContact OD1-CB 3.08Å; D847-S849 PolarHBondContact OD1-N 2.91Å; D847-G850 PolarHBondContact O-N 3.31Å; D847-G850 PolarHBondContact OD1-N 3.04Å; D847-N851 PolarHBondContact N-O 3.48Å; D847-N851 PolarHBondContact OD1-N 3.17Å; D847-L853 HydrophobicContact CB-CD2 4.02Å
848	A	86.3	Confident	87.8	Confident	58 Å²	58	68.9 Å²	68.9	48%	0.479	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.8	179.9	0	0	0	0	0	113.4	D833 K834 G850	D833-A848 VanDerWaalsContact O-CB 3.28Å; D833-A848 WeakPolarHBondContact O-CB 3.5Å; K834-A848 PolarHBondContact O-N 3.04Å; A848-G850 VanDerWaalsContact C-N 3.26Å; A848-G850 PolarHBondContact O-N 3.14Å
849	S	86.5	Confident	87.5	Confident	100 Å²	100	73.4 Å²	73.4	70%	0.699	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.8	176.7	-57.1	0	0	0	0	113	D847	D847-S849 PolarHBondContact O-N 3.24Å; D847-S849 WeakPolarHBondContact OD1-CA 3.15Å; D847-S849 WeakPolarHBondContact OD1-CB 3.08Å; D847-S849 PolarHBondContact OD1-N 2.91Å
850	G	85.3	Confident	87.1	Confident	35 Å²	35	76.9 Å²	76.9	36%	0.361	43%	0.426	S	S	.	.	S	Bend	trans	86.2	13.1	-179.9	0	0	0	0	0	114.3	S836 H846 D847 A848	S836-G850 WeakPolarHBondContact OG-CA 3.04Å; H846-G850 PolarHBondContact CD2-O 3.44Å; H846-G850 VanDerWaalsContact CD2-O 3.29Å; D847-G850 PolarHBondContact O-N 3.31Å; D847-G850 PolarHBondContact OD1-N 3.04Å; A848-G850 VanDerWaalsContact C-N 3.26Å; A848-G850 PolarHBondContact O-N 3.14Å
851	N	89.5	Confident	87.1	Confident	96 Å²	96	71 Å²	71	51%	0.513	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-87.2	145.2	174.4	-55.5	-57.8	0	0	0	111	H846 D847 L853	H846-N851 CarbonylContact C-O 3.51Å; H846-N851 WeakPolarHBondContact CA-O 3.26Å; H846-N851 WeakPolarHBondContact CB-O 3.48Å; D847-N851 PolarHBondContact N-O 3.48Å; D847-N851 PolarHBondContact OD1-N 3.17Å; N851-L853 PolarHBondContact O-N 2.6Å
852	E	90.9	Very high	87.2	Confident	157 Å²	157	68.7 Å²	68.7	73%	0.734	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-61.1	134.8	175.1	-77.8	-172.6	173	0	0	111.9	H846	H846-E852 WeakPolarHBondContact NE2-CG 3.29Å
853	L	88.8	Confident	87	Confident	28 Å²	28	75.2 Å²	75.2	15%	0.147	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-68.8	138.3	178.2	-69.9	171.1	0	0	0	111.3	Y835 P844 T845 D847 N851 A857 L858 L861	Y835-L853 HydrophobicContact CD1-CD1 3.99Å; Y835-L853 HydrophobicContact CD1-CD2 4.48Å; Y835-L853 HydrophobicContact CE1-CD1 3.99Å; Y835-L853 HydrophobicContact CE1-CD2 4.26Å; P844-L853 HydrophobicContact CB-CD1 3.67Å; T845-L853 PolarHBondContact O-N 2.94Å; D847-L853 HydrophobicContact CB-CD2 4.02Å; N851-L853 PolarHBondContact O-N 2.6Å; L853-A857 HydrophobicContact CB-CB 4.32Å; L853-A857 HydrophobicContact CD2-CB 4.43Å; L853-L858 HydrophobicContact CB-CD2 4.15Å; L853-L858 HydrophobicContact CB-CG 4.11Å; L853-L858 HydrophobicContact CD1-CD2 4.36Å; L853-L861 HydrophobicContact CD1-CD1 3.67Å
854	T	86.3	Confident	86.7	Confident	95 Å²	95	79.1 Å²	79.1	58%	0.583	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-61.3	152.8	176.3	68.8	0	0	0	0	112.1	S856 A857 L858	T854-S856 PolarHBondContact O-N 2.88Å; T854-S856 VanDerWaalsContact O-N 3.09Å; T854-A857 WeakPolarHBondContact O-CA 3.21Å; T854-A857 WeakPolarHBondContact O-CB 3.45Å; T854-A857 PolarHBondContact O-N 2.78Å; T854-A857 PolarHBondContact OG1-N 2.97Å; T854-L858 PolarHBondContact O-N 3.21Å
855	K	82.9	Confident	86.5	Confident	193 Å²	193	79.8 Å²	79.8	84%	0.839	43%	0.425	S	S	*	.	H	α-helix	trans	-53.3	-33.8	175.7	-69.7	-176.4	178.3	177.8	0	113.4	K859	K855-K859 WeakPolarHBondContact O-CB 3.37Å; K855-K859 PolarHBondContact O-N 2.97Å
856	S	77.7	Confident	86.2	Confident	75 Å²	75	81 Å²	81	52%	0.524	43%	0.429	S	S	.	.	H	α-helix	trans	-68.8	-42	176.4	-174.2	0	0	0	0	111.8	T854 K859 K860	T854-S856 PolarHBondContact O-N 2.88Å; T854-S856 VanDerWaalsContact O-N 3.09Å; S856-K859 PolarHBondContact O-N 2.79Å; S856-K860 WeakPolarHBondContact O-CG 3.35Å; S856-K860 PolarHBondContact O-N 3.06Å; S856-K860 VanDerWaalsContact O-N 3.1Å
857	A	81.4	Confident	85.8	Confident	26 Å²	26	81.6 Å²	81.6	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-64.1	-47.5	175.5	0	0	0	0	0	111.4	L853 T854 K859 K860 L861	L853-A857 HydrophobicContact CB-CB 4.32Å; L853-A857 HydrophobicContact CD2-CB 4.43Å; T854-A857 WeakPolarHBondContact O-CA 3.21Å; T854-A857 WeakPolarHBondContact O-CB 3.45Å; T854-A857 PolarHBondContact O-N 2.78Å; T854-A857 PolarHBondContact OG1-N 2.97Å; A857-K859 VanDerWaalsContact C-N 3.32Å; A857-K859 PolarHBondContact O-N 3.28Å; A857-K860 WeakPolarHBondContact O-CB 3.44Å; A857-K860 PolarHBondContact O-N 2.85Å; A857-K860 VanDerWaalsContact O-N 3.07Å; A857-L861 WeakPolarHBondContact O-CG 3.45Å; A857-L861 PolarHBondContact O-N 3.29Å
858	L	86.7	Confident	85.7	Confident	66 Å²	66	79.4 Å²	79.4	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-57.8	-42.3	175.8	-70.8	172.1	0	0	0	112.1	P844 L853 T854 K860 L861 Q862	P844-L858 VanDerWaalsContact O-CD2 3.29Å; P844-L858 WeakPolarHBondContact O-CD2 3.37Å; L853-L858 HydrophobicContact CB-CD2 4.15Å; L853-L858 HydrophobicContact CB-CG 4.11Å; L853-L858 HydrophobicContact CD1-CD2 4.36Å; T854-L858 PolarHBondContact O-N 3.21Å; L858-K860 VanDerWaalsContact C-N 3.32Å; L858-K860 PolarHBondContact O-N 3.04Å; L858-L861 PolarHBondContact O-N 3.35Å; L858-Q862 WeakPolarHBondContact O-CB 3.12Å; L858-Q862 PolarHBondContact O-N 3.33Å
859	K	84.7	Confident	85.8	Confident	151 Å²	151	80.8 Å²	80.8	66%	0.657	42%	0.424	S	S	*	.	H	α-helix	trans	-65	-33.9	176.8	-167	174.6	-174.8	176.2	0	112.6	K855 S856 A857 K863	K855-K859 WeakPolarHBondContact O-CB 3.37Å; K855-K859 PolarHBondContact O-N 2.97Å; S856-K859 PolarHBondContact O-N 2.79Å; A857-K859 VanDerWaalsContact C-N 3.32Å; A857-K859 PolarHBondContact O-N 3.28Å; K859-K863 WeakPolarHBondContact O-CG 3.35Å; K859-K863 PolarHBondContact O-N 2.72Å
860	K	82.8	Confident	85.7	Confident	142 Å²	142	83.3 Å²	83.3	62%	0.617	42%	0.422	S	S	*	.	H	α-helix	trans	-68.5	-46.2	173.3	-74.4	179.3	-178.6	179.4	0	111.1	S856 A857 L858 Q862 K863 L864	S856-K860 WeakPolarHBondContact O-CG 3.35Å; S856-K860 PolarHBondContact O-N 3.06Å; S856-K860 VanDerWaalsContact O-N 3.1Å; A857-K860 WeakPolarHBondContact O-CB 3.44Å; A857-K860 PolarHBondContact O-N 2.85Å; A857-K860 VanDerWaalsContact O-N 3.07Å; L858-K860 VanDerWaalsContact C-N 3.32Å; L858-K860 PolarHBondContact O-N 3.04Å; K860-Q862 VanDerWaalsContact C-N 3.33Å; K860-Q862 PolarHBondContact O-N 3.17Å; K860-K863 WeakPolarHBondContact O-CB 3.41Å; K860-K863 PolarHBondContact O-N 3.45Å; K860-L864 PolarHBondContact O-N 2.88Å; K860-L864 VanDerWaalsContact O-N 3.15Å
861	L	87.6	Confident	85.6	Confident	7 Å²	7	84.6 Å²	84.6	4%	0.037	42%	0.416	C	S	.	.	H	α-helix	trans	-60.3	-42.1	176.4	-70	169.3	0	0	0	111.7	F828 Y835 M843 P844 L853 A857 L858 K863 L864 Y865	F828-L861 HydrophobicContact CD1-CD2 4Å; F828-L861 HydrophobicContact CE1-CD2 3.47Å; F828-L861 VanDerWaalsContact CE1-CD2 3.47Å; F828-L861 HydrophobicContact CE2-CD2 4.41Å; F828-L861 HydrophobicContact CZ-CB 4.28Å; F828-L861 HydrophobicContact CZ-CD2 3.69Å; Y835-L861 HydrophobicContact CE1-CD1 4.33Å; Y835-L861 HydrophobicContact CE2-CD2 4.49Å; M843-L861 HydrophobicContact CE-CB 3.59Å; M843-L861 HydrophobicContact SD-CB 4.49Å; P844-L861 HydrophobicContact CB-CD1 3.82Å; P844-L861 HydrophobicContact CG-CD1 3.89Å; P844-L861 HydrophobicContact CG-CD2 4.25Å; L853-L861 HydrophobicContact CD1-CD1 3.67Å; A857-L861 WeakPolarHBondContact O-CG 3.45Å; A857-L861 PolarHBondContact O-N 3.29Å; L858-L861 PolarHBondContact O-N 3.35Å; L861-K863 VanDerWaalsContact C-N 3.28Å; L861-K863 PolarHBondContact O-N 2.77Å; L861-L864 WeakPolarHBondContact O-CA 3.19Å; L861-L864 WeakPolarHBondContact O-CB 3.15Å; L861-L864 PolarHBondContact O-N 3.49Å; L861-Y865 PolarHBondContact O-N 3.44Å
862	Q	88.6	Confident	85.5	Confident	79 Å²	79	81.1 Å²	81.1	37%	0.369	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-37.6	179.2	-173.4	63.3	49.6	0	0	111.6	M843 L858 K860 L864 Y865 I866	M843-Q862 HydrophobicContact CE-CB 4.23Å; L858-Q862 WeakPolarHBondContact O-CB 3.12Å; L858-Q862 PolarHBondContact O-N 3.33Å; K860-Q862 VanDerWaalsContact C-N 3.33Å; K860-Q862 PolarHBondContact O-N 3.17Å; Q862-L864 VanDerWaalsContact C-N 3.34Å; Q862-Y865 PolarHBondContact O-N 2.89Å; Q862-I866 HydrophobicContact CG-CD1 4.02Å; Q862-I866 VanDerWaalsContact O-CG1 3.28Å; Q862-I866 WeakPolarHBondContact O-CG1 3.19Å; Q862-I866 PolarHBondContact O-N 2.99Å
863	K	84.2	Confident	85.3	Confident	144 Å²	144	76.4 Å²	76.4	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-64.5	-39.6	174.1	-75.7	-178.9	177.9	-172.5	0	111.9	K859 K860 L861 A867	K859-K863 WeakPolarHBondContact O-CG 3.35Å; K859-K863 PolarHBondContact O-N 2.72Å; K860-K863 WeakPolarHBondContact O-CB 3.41Å; K860-K863 PolarHBondContact O-N 3.45Å; L861-K863 VanDerWaalsContact C-N 3.28Å; L861-K863 PolarHBondContact O-N 2.77Å; K863-A867 VanDerWaalsContact O-CB 3.3Å; K863-A867 WeakPolarHBondContact O-CB 2.96Å; K863-A867 PolarHBondContact O-N 3.46Å
864	L	85	Confident	85	Confident	89 Å²	89	78 Å²	78	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-41.9	176.4	-70.3	172.5	0	0	0	111.4	F828 K860 L861 Q862 A867 Q868	F828-L864 HydrophobicContact CE1-CB 4.38Å; F828-L864 HydrophobicContact CE1-CD1 4.31Å; F828-L864 HydrophobicContact CZ-CB 3.86Å; F828-L864 HydrophobicContact CZ-CD1 4.48Å; K860-L864 PolarHBondContact O-N 2.88Å; K860-L864 VanDerWaalsContact O-N 3.15Å; L861-L864 WeakPolarHBondContact O-CA 3.19Å; L861-L864 WeakPolarHBondContact O-CB 3.15Å; L861-L864 PolarHBondContact O-N 3.49Å; Q862-L864 VanDerWaalsContact C-N 3.34Å; L864-A867 PolarHBondContact O-N 2.89Å; L864-Q868 WeakPolarHBondContact O-CB 3.43Å; L864-Q868 PolarHBondContact O-N 3.49Å
865	Y	88	Confident	84.9	Confident	13 Å²	13	76.1 Å²	76.1	5%	0.051	39%	0.386	C	S	.	.	H	α-helix	trans	-59.2	-52	175.1	-166.3	-84.1	0	0	0	112	P824 F828 K841 M843 L861 Q862 A867 Q868 E869	P824-Y865 VanDerWaalsContact C-CE2 3.45Å; P824-Y865 HydrophobicContact CB-CD1 4.34Å; P824-Y865 HydrophobicContact CB-CE1 3.93Å; P824-Y865 HydrophobicContact CB-CE2 4.17Å; P824-Y865 WeakPolarHBondContact O-CD2 3.18Å; P824-Y865 WeakPolarHBondContact O-CE2 3.41Å; F828-Y865 HydrophobicContact CE2-CD2 4.1Å; K841-Y865 WeakPolarHBondContact O-CE2 3.47Å; K841-Y865 PolarHBondContact O-OH 3.49Å; K841-Y865 VanDerWaalsContact O-OH 3.06Å; M843-Y865 HydrophobicContact CG-CD2 3.94Å; M843-Y865 HydrophobicContact CG-CE2 4.23Å; M843-Y865 HydrophobicContact CG-CG 4.47Å; M843-Y865 HydrophobicContact SD-CD2 3.52Å; M843-Y865 VanDerWaalsContact SD-CD2 3.52Å; M843-Y865 HydrophobicContact SD-CE2 4.39Å; M843-Y865 HydrophobicContact SD-CG 3.81Å; L861-Y865 PolarHBondContact O-N 3.44Å; Q862-Y865 PolarHBondContact O-N 2.89Å; Y865-A867 VanDerWaalsContact C-N 3.28Å; Y865-A867 PolarHBondContact O-N 3.29Å; Y865-Q868 CarbonylContact O-C 3.56Å; Y865-Q868 WeakPolarHBondContact O-CA 3.41Å; Y865-Q868 WeakPolarHBondContact O-CB 3.49Å; Y865-Q868 PolarHBondContact O-N 3.5Å; Y865-E869 HydrophobicContact CD1-CG 3.98Å; Y865-E869 HydrophobicContact CE1-CG 3.89Å; Y865-E869 WeakPolarHBondContact CE1-OE1 3.4Å; Y865-E869 PolarHBondContact O-N 2.71Å
866	I	86.4	Confident	85	Confident	71 Å²	71	71 Å²	71	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-37.6	178.1	-67	165.7	0	0	0	111.3	Q862 Q868 E869 K870	Q862-I866 HydrophobicContact CG-CD1 4.02Å; Q862-I866 VanDerWaalsContact O-CG1 3.28Å; Q862-I866 WeakPolarHBondContact O-CG1 3.19Å; Q862-I866 PolarHBondContact O-N 2.99Å; I866-Q868 VanDerWaalsContact C-N 3.32Å; I866-E869 PolarHBondContact O-N 3.03Å; I866-K870 PolarHBondContact O-N 3.27Å
867	A	83.1	Confident	85.3	Confident	42 Å²	42	74.9 Å²	74.9	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-36.6	174.3	0	0	0	0	0	111.6	K863 L864 Y865 R871	K863-A867 VanDerWaalsContact O-CB 3.3Å; K863-A867 WeakPolarHBondContact O-CB 2.96Å; K863-A867 PolarHBondContact O-N 3.46Å; L864-A867 PolarHBondContact O-N 2.89Å; Y865-A867 VanDerWaalsContact C-N 3.28Å; Y865-A867 PolarHBondContact O-N 3.29Å; A867-R871 WeakPolarHBondContact O-CG 3.36Å; A867-R871 PolarHBondContact O-N 3.33Å; A867-R871 VanDerWaalsContact O-N 3.14Å
868	Q	86.8	Confident	85.2	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-69.5	-39.7	174.3	-172	65	13	0	0	112.5	T819 I822 P824 L827 L864 Y865 I866 K870 R871 H872	T819-Q868 PolarHBondContact O-NE2 2.91Å; I822-Q868 PolarHBondContact O-NE2 3.28Å; P824-Q868 HydrophobicContact CB-CB 4.38Å; P824-Q868 HydrophobicContact CB-CG 4.23Å; L827-Q868 HydrophobicContact CB-CG 4.35Å; L827-Q868 HydrophobicContact CD1-CB 4.37Å; L827-Q868 HydrophobicContact CD1-CG 3.98Å; L827-Q868 HydrophobicContact CD2-CB 3.65Å; L827-Q868 HydrophobicContact CD2-CG 4.04Å; L827-Q868 HydrophobicContact CG-CB 4.49Å; L827-Q868 HydrophobicContact CG-CG 4.35Å; L864-Q868 WeakPolarHBondContact O-CB 3.43Å; L864-Q868 PolarHBondContact O-N 3.49Å; Y865-Q868 CarbonylContact O-C 3.56Å; Y865-Q868 WeakPolarHBondContact O-CA 3.41Å; Y865-Q868 WeakPolarHBondContact O-CB 3.49Å; Y865-Q868 PolarHBondContact O-N 3.5Å; I866-Q868 VanDerWaalsContact C-N 3.32Å; Q868-K870 VanDerWaalsContact C-N 3.26Å; Q868-K870 PolarHBondContact O-N 2.96Å; Q868-R871 PolarHBondContact O-N 3.29Å; Q868-R871 VanDerWaalsContact O-N 3.07Å; Q868-H872 WeakPolarHBondContact O-CB 3.24Å; Q868-H872 PolarHBondContact O-N 3.27Å
869	E	88.6	Confident	84.7	Confident	88 Å²	88	82.1 Å²	82.1	41%	0.411	41%	0.409	S	S	.	.	H	α-helix	trans	-53.6	-46.4	173.7	-74.9	178.3	144.5	0	0	111	P824 Y865 I866 A873	P824-E869 HydrophobicContact CB-CB 4.45Å; P824-E869 HydrophobicContact CB-CG 3.61Å; P824-E869 HydrophobicContact CG-CB 4.46Å; P824-E869 HydrophobicContact CG-CG 3.69Å; Y865-E869 HydrophobicContact CD1-CG 3.98Å; Y865-E869 HydrophobicContact CE1-CG 3.89Å; Y865-E869 WeakPolarHBondContact CE1-OE1 3.4Å; Y865-E869 PolarHBondContact O-N 2.71Å; I866-E869 PolarHBondContact O-N 3.03Å; E869-A873 VanDerWaalsContact O-CB 3.27Å; E869-A873 WeakPolarHBondContact O-CB 3.2Å; E869-A873 PolarHBondContact O-N 3.38Å
870	K	85.4	Confident	84.2	Confident	153 Å²	153	85.1 Å²	85.1	67%	0.665	43%	0.425	S	S	*	.	H	α-helix	trans	-63.9	-41	176.5	-68.5	-178.4	-179.3	-175.1	0	112.6	I866 Q868 A874	I866-K870 PolarHBondContact O-N 3.27Å; Q868-K870 VanDerWaalsContact C-N 3.26Å; Q868-K870 PolarHBondContact O-N 2.96Å; K870-A874 WeakPolarHBondContact O-CB 3.31Å; K870-A874 PolarHBondContact O-N 3.19Å
871	R	82.4	Confident	84.2	Confident	62 Å²	62	82.3 Å²	82.3	23%	0.234	42%	0.416	C	S	.	.	H	α-helix	trans	-66.8	-44.8	178.4	-75.9	-175	-76.3	168	-1.6	111.9	K816 T819 A867 Q868 A874 F875	K816-R871 WeakPolarHBondContact O-CD 3.46Å; T819-R871 PolarHBondContact OG1-NH1 3Å; A867-R871 WeakPolarHBondContact O-CG 3.36Å; A867-R871 PolarHBondContact O-N 3.33Å; A867-R871 VanDerWaalsContact O-N 3.14Å; Q868-R871 PolarHBondContact O-N 3.29Å; Q868-R871 VanDerWaalsContact O-N 3.07Å; R871-A874 PolarHBondContact O-N 2.77Å; R871-F875 PolarHBondContact O-N 2.94Å
872	H	87	Confident	84	Confident	22 Å²	22	86.2 Å²	86.2	10%	0.102	44%	0.436	C	S	.	.	H	α-helix	trans	-66	-42.3	178.5	-170.1	65.1	0	0	0	111.7	G820 H821 I822 Q868 A874 F875 L876	G820-H872 VanDerWaalsContact O-CA 3.27Å; G820-H872 WeakPolarHBondContact O-CA 3.37Å; G820-H872 PolarHBondContact O-ND1 3.1Å; H821-H872 PolarHBondContact O-CE1 3.12Å; H821-H872 PolarHBondContact O-ND1 3.03Å; I822-H872 PolarHBondContact O-ND1 3.01Å; Q868-H872 WeakPolarHBondContact O-CB 3.24Å; Q868-H872 PolarHBondContact O-N 3.27Å; H872-A874 VanDerWaalsContact C-N 3.32Å; H872-A874 PolarHBondContact O-N 2.79Å; H872-F875 WeakPolarHBondContact O-CB 3.27Å; H872-F875 PolarHBondContact O-N 2.66Å; H872-L876 WeakPolarHBondContact O-CG 3.29Å; H872-L876 PolarHBondContact O-N 3.11Å
873	A	86.8	Confident	83.8	Confident	58 Å²	58	86.6 Å²	86.6	48%	0.479	44%	0.439	S	S	.	.	H	α-helix	trans	-59.6	-42	172.7	0	0	0	0	0	112.2	E869 K877	E869-A873 VanDerWaalsContact O-CB 3.27Å; E869-A873 WeakPolarHBondContact O-CB 3.2Å; E869-A873 PolarHBondContact O-N 3.38Å; A873-K877 WeakPolarHBondContact O-CB 3.29Å; A873-K877 PolarHBondContact O-N 2.86Å
874	A	82.1	Confident	83.8	Confident	61 Å²	61	83.2 Å²	83.2	50%	0.504	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-39.9	175.2	0	0	0	0	0	112.4	K870 R871 H872 K877 S878	K870-A874 WeakPolarHBondContact O-CB 3.31Å; K870-A874 PolarHBondContact O-N 3.19Å; R871-A874 PolarHBondContact O-N 2.77Å; H872-A874 VanDerWaalsContact C-N 3.32Å; H872-A874 PolarHBondContact O-N 2.79Å; A874-K877 PolarHBondContact O-N 2.78Å; A874-S878 PolarHBondContact O-N 3.18Å; A874-S878 VanDerWaalsContact O-N 3.08Å
875	F	84.1	Confident	83.7	Confident	57 Å²	57	82.9 Å²	82.9	25%	0.25	43%	0.426	C	S	.	.	H	α-helix	trans	-62.9	-46.6	175.1	170.8	-94.5	0	0	0	112.1	H821 R871 H872 K877 S878 K879	H821-F875 HydrophobicContact CB-CD1 4.15Å; H821-F875 HydrophobicContact CB-CD2 4.2Å; H821-F875 HydrophobicContact CB-CE1 3.65Å; H821-F875 HydrophobicContact CB-CE2 3.7Å; H821-F875 HydrophobicContact CB-CG 4.4Å; H821-F875 HydrophobicContact CB-CZ 3.38Å; R871-F875 PolarHBondContact O-N 2.94Å; H872-F875 WeakPolarHBondContact O-CB 3.27Å; H872-F875 PolarHBondContact O-N 2.66Å; F875-K877 VanDerWaalsContact C-N 3.3Å; F875-K877 PolarHBondContact O-N 2.84Å; F875-S878 PolarHBondContact O-N 3.29Å; F875-S878 PolarHBondContact O-OG 3.19Å; F875-K879 HydrophobicContact CE1-CG 4.19Å; F875-K879 HydrophobicContact CZ-CD 4.45Å; F875-K879 VanDerWaalsContact CZ-CE 3.49Å; F875-K879 HydrophobicContact CZ-CG 4.16Å; F875-K879 PolarHBondContact O-N 2.89Å
876	L	86.3	Confident	83.4	Confident	84 Å²	84	87.5 Å²	87.5	44%	0.44	45%	0.451	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176	-70.3	176.2	0	0	0	111.1	H872 S878 K879 E880	H872-L876 WeakPolarHBondContact O-CG 3.29Å; H872-L876 PolarHBondContact O-N 3.11Å; L876-S878 PolarHBondContact O-N 2.71Å; L876-K879 WeakPolarHBondContact O-CB 3.44Å; L876-K879 PolarHBondContact O-N 3.13Å; L876-E880 PolarHBondContact O-N 3.41Å
877	K	82.8	Confident	83.2	Confident	158 Å²	158	88.7 Å²	88.7	69%	0.687	46%	0.457	S	S	*	.	H	α-helix	trans	-63.4	-25.4	175.7	-164.8	-179.8	-179.8	-177.4	0	113.8	A873 A874 F875 K879	A873-K877 WeakPolarHBondContact O-CB 3.29Å; A873-K877 PolarHBondContact O-N 2.86Å; A874-K877 PolarHBondContact O-N 2.78Å; F875-K877 VanDerWaalsContact C-N 3.3Å; F875-K877 PolarHBondContact O-N 2.84Å; K877-K879 VanDerWaalsContact C-N 3.35Å
878	S	79.3	Confident	83.2	Confident	86 Å²	86	92.3 Å²	92.3	60%	0.601	47%	0.466	S	S	*	.	H	α-helix	trans	-82.6	-10.9	173.9	67.4	0	0	0	0	114.3	A874 F875 L876	A874-S878 PolarHBondContact O-N 3.18Å; A874-S878 VanDerWaalsContact O-N 3.08Å; F875-S878 PolarHBondContact O-N 3.29Å; F875-S878 PolarHBondContact O-OG 3.19Å; L876-S878 PolarHBondContact O-N 2.71Å
879	K	77.7	Confident	82.9	Confident	158 Å²	158	100 Å²	100	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-93.4	-28.2	176.3	-77.5	-93.6	-176.5	173.6	0	112.4	F875 L876 K877	F875-K879 HydrophobicContact CE1-CG 4.19Å; F875-K879 HydrophobicContact CZ-CD 4.45Å; F875-K879 VanDerWaalsContact CZ-CE 3.49Å; F875-K879 HydrophobicContact CZ-CG 4.16Å; F875-K879 PolarHBondContact O-N 2.89Å; L876-K879 WeakPolarHBondContact O-CB 3.44Å; L876-K879 PolarHBondContact O-N 3.13Å; K877-K879 VanDerWaalsContact C-N 3.35Å
880	E	72.4	Confident	82.4	Confident	213 Å²	213	101.1 Å²	101.1	100%	0.995	51%	0.513	S	S	*	.			trans	-67.2	0	164.2	-66.9	177.6	171.1	0	0	110.7	L876	L876-E880 PolarHBondContact O-N 3.41Å

Retrieved 880 of 880 residues in 905.1 ms (Link to these results)

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